A0A5K4FAZ3_SCHMA Loading...

Leishmanolysin-like peptidase

AlphaFold DB , UniProt , Accession A0A5K4FAZ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 646 aa.

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(Predicted Aligned Error values between residue pairs)

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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	29.9	Very low	27.2	Very low	242 Å²	242	167.5 Å²	167.5	100%	1.192	83%	0.829	S	S	*	*				0	88.7	0	-160.7	176.2	89.3	0	0	109.1
2	K	28.6	Very low	26.9	Very low	196 Å²	196	164.1 Å²	164.1	85%	0.852	82%	0.824	S	S	*	*			trans	-170.7	98.5	151	-101.8	-173.5	-177.4	-176.6	0	103.6
3	I	26.5	Very low	27	Very low	138 Å²	138	162.8 Å²	162.8	71%	0.708	82%	0.82	S	S	*	*			trans	-92.3	123.6	179.2	-67.8	166.7	0	0	0	105.4	I5	I3-I5 HydrophobicContact CG2-CD1 4.11Å; I3-I5 HydrophobicContact CG2-CG1 4.04Å
4	Y	29.3	Very low	26.9	Very low	221 Å²	221	162.8 Å²	162.8	87%	0.867	82%	0.822	S	S	*	*			trans	-128.7	107	157.3	-83.5	-80.2	0	0	0	108.9
5	I	25.4	Very low	27	Very low	127 Å²	127	162.2 Å²	162.2	65%	0.651	82%	0.815	S	S	*	*			trans	-70.1	135.9	163.5	-71.7	156.8	0	0	0	107.4	I3	I3-I5 HydrophobicContact CG2-CD1 4.11Å; I3-I5 HydrophobicContact CG2-CG1 4.04Å
6	F	27.4	Very low	26.8	Very low	198 Å²	198	166.3 Å²	166.3	87%	0.868	82%	0.818	S	S	*	*				-168.3	116.8	128.2	-100	-70.9	0	0	0	111.2
7	V	25.6	Very low	26.8	Very low	131 Å²	131	164.5 Å²	164.5	79%	0.794	82%	0.819	S	S	*	*			trans	-117.2	127.1	161.9	167.6	0	0	0	0	104.9
8	F	26.4	Very low	26.7	Very low	196 Å²	196	162.7 Å²	162.7	86%	0.86	81%	0.811	S	S	*	*			trans	159.4	118.8	163.1	-98.1	-72.9	0	0	0	104.8
9	V	27.4	Very low	26.8	Very low	120 Å²	120	157.8 Å²	157.8	73%	0.727	81%	0.806	S	S	*	*			cis	-163.1	124.1	48.9	174	0	0	0	0	108.8
10	C	26.7	Very low	26.9	Very low	120 Å²	120	155.9 Å²	155.9	81%	0.811	79%	0.794	S	S	*	*			trans	-95.1	148.1	151.8	-90.8	0	0	0	0	107.7
11	I	26.1	Very low	27	Very low	153 Å²	153	156 Å²	156	79%	0.785	79%	0.791	S	S	*	*	S	Bend	trans	91.9	126.8	169.2	-43.2	168.6	0	0	0	114.9
12	V	23.9	Very low	26.9	Very low	127 Å²	127	150.8 Å²	150.8	77%	0.77	77%	0.767	S	S	*	*			trans	86.8	94.2	169.4	-160.4	0	0	0	0	117.2
13	L	28	Very low	26.9	Very low	147 Å²	147	150.2 Å²	150.2	77%	0.77	77%	0.768	S	S	*	*				-162.4	77.2	128.7	-97.1	177.5	0	0	0	109.6	Q15	L13-Q15 HydrophobicContact CD2-CG 4.38Å
14	L	25.6	Very low	27	Very low	163 Å²	163	149.5 Å²	149.5	85%	0.853	78%	0.775	S	S	*	*			trans	-72.8	101.5	149.4	-107.2	149.7	0	0	0	107.3
15	Q	28.3	Very low	26.8	Very low	154 Å²	154	143.6 Å²	143.6	72%	0.72	77%	0.772	S	S	*	*			trans	-146.3	105.7	159.8	-87.3	-178.5	-24.3	0	0	107	L13	L13-Q15 HydrophobicContact CD2-CG 4.38Å
16	W	24.2	Very low	27	Very low	227 Å²	227	144.4 Å²	144.4	86%	0.86	78%	0.783	S	S	*	*				48.8	100.8	93.3	-77.9	73.2	0	0	0	112.9
17	V	26.2	Very low	27.1	Very low	137 Å²	137	142.4 Å²	142.4	83%	0.83	78%	0.776	S	S	*	*			trans	-132.2	98.5	156.9	-178.3	0	0	0	0	107.2
18	I	25.5	Very low	27.2	Very low	132 Å²	132	144 Å²	144	68%	0.677	78%	0.775	S	S	*	*			trans	-131.2	126.5	150.7	-61.9	166.7	0	0	0	104.4	I46	I18-I46 HydrophobicContact CD1-CD1 3.35Å; I18-I46 HydrophobicContact CG1-CD1 3.7Å
19	G	27.5	Very low	27.3	Very low	70 Å²	70	139.8 Å²	139.8	72%	0.722	77%	0.769	S	S	*	*			trans	162.5	93.5	173.5	0	0	0	0	0	111.2
20	E	30.1	Very low	27.4	Very low	119 Å²	119	142.7 Å²	142.7	56%	0.556	78%	0.775	S	S	*	*			trans	-66.3	151.7	167.4	-84.3	167.7	130.1	0	0	112.7	R43	E20-R43 VanDerWaalsContact CD-NH2 3.33Å; E20-R43 IonicContact OE1-CZ 3.53Å; E20-R43 IonicContact OE1-NH2 2.62Å; E20-R43 PolarHBondContact OE1-NH2 3.14Å; E20-R43 VanDerWaalsContact OE1-NH2 3.08Å; E20-R43 IonicContact OE2-CZ 3.83Å; E20-R43 IonicContact OE2-NE 2.72Å; E20-R43 IonicContact OE2-NH1 2.69Å; E20-R43 PolarHBondContact OE2-NH1 2.8Å; E20-R43 IonicContact OE2-NH2 3.69Å; E20-R43 PolarHBondContact OE2-NH2 3.35Å
21	H	28.1	Very low	27.5	Very low	159 Å²	159	143.9 Å²	143.9	74%	0.736	78%	0.778	S	S	*	*			trans	58.7	135.2	149.8	-81.3	-79.4	0	0	0	117.3
22	D	27.3	Very low	27.6	Very low	131 Å²	131	139.6 Å²	139.6	70%	0.701	77%	0.772	S	S	*	*			cis	-160.8	165.4	40	-116.6	-28.6	0	0	0	112.7
23	Q	29.4	Very low	27.9	Very low	185 Å²	185	142.3 Å²	142.3	86%	0.864	78%	0.777	S	S	*	*			trans	-48.4	146.7	168.1	-66.4	175.1	-20.2	0	0	112.6
24	S	27.6	Very low	27.6	Very low	123 Å²	123	142.1 Å²	142.1	86%	0.86	78%	0.775	S	S	*	*			trans	-137.3	109	157.8	27.8	0	0	0	0	109.8
25	A	26.9	Very low	27.6	Very low	96 Å²	96	140 Å²	140	79%	0.793	77%	0.769	S	S	*	*			trans	-93.7	114.7	157.9	0	0	0	0	0	108.4
26	V	28.7	Very low	27.6	Very low	145 Å²	145	141.1 Å²	141.1	88%	0.879	77%	0.774	S	S	*	*			trans	70.4	139.8	146.6	-168.3	0	0	0	0	120
27	Q	29.7	Very low	27.8	Very low	156 Å²	156	136 Å²	136	73%	0.729	77%	0.77	S	S	*	*			trans	-60.2	152.5	-175.1	-101.7	169.1	-79.1	0	0	117.7
28	E	27.8	Very low	27.9	Very low	164 Å²	164	138.8 Å²	138.8	77%	0.766	77%	0.774	S	S	*	*			trans	72.1	130.9	148.7	-73.2	167.9	-159.6	0	0	117.8
29	S	28.5	Very low	27.9	Very low	107 Å²	107	139 Å²	139	75%	0.748	78%	0.782	S	S	*	*			cis	-166.8	150	22.1	48.1	0	0	0	0	112.4
30	Q	29.8	Very low	27.7	Very low	182 Å²	182	144.2 Å²	144.2	85%	0.85	79%	0.792	S	S	*	*			trans	51.2	116.1	144.9	-69.5	-166.9	-11.9	0	0	125.4
31	V	27.6	Very low	27.4	Very low	144 Å²	144	147.1 Å²	147.1	87%	0.873	81%	0.806	S	S	*	*				80.5	116	129.7	-174.9	0	0	0	0	121
32	G	28.9	Very low	27.2	Very low	64 Å²	64	149.1 Å²	149.1	66%	0.66	81%	0.812	S	S	*	*			trans	139	98.8	141.8	0	0	0	0	0	118.6
33	Q	29.4	Very low	26.9	Very low	184 Å²	184	152.7 Å²	152.7	86%	0.86	82%	0.816	S	S	*	*			trans	40.6	145.1	136.3	-68.2	-173.6	-28.2	0	0	120.9
34	L	22.8	Very low	26.8	Very low	142 Å²	142	148.7 Å²	148.7	74%	0.743	81%	0.808	S	S	*	*			cis	179.2	162	-0.5	-126.1	152.8	0	0	0	107.3
35	V	26.3	Very low	26.7	Very low	119 Å²	119	151.5 Å²	151.5	72%	0.721	81%	0.805	S	S	*	*			trans	87.7	129.2	160.1	-168.6	0	0	0	0	117.3
36	Q	28.4	Very low	26.7	Very low	178 Å²	178	152.2 Å²	152.2	83%	0.832	80%	0.795	S	S	*	*			cis	-159.4	166.1	-3.1	-117.3	173.5	5.3	0	0	108.7
37	P	26.4	Very low	26.8	Very low	118 Å²	118	150 Å²	150	77%	0.766	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-95.7	135.4	-171.5	35.3	-27.5	0	0	0	113.7
38	Q	29.8	Very low	26.9	Very low	196 Å²	196	149 Å²	149	92%	0.916	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-103.4	129.1	160.8	-78.5	-167.5	-18.4	0	0	110.9
39	T	24	Very low	26.9	Very low	137 Å²	137	148.9 Å²	148.9	84%	0.84	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-63.6	123.6	174.1	6.6	0	0	0	0	111.8
40	L	25.1	Very low	27.1	Very low	179 Å²	179	146 Å²	146	94%	0.937	75%	0.747	S	S	*	*			trans	-141.1	116.3	153.1	-101.7	160.9	0	0	0	109.2
41	Q	23.7	Very low	26.9	Very low	180 Å²	180	147 Å²	147	84%	0.841	74%	0.743	S	S	*	*			trans	-79.9	156.4	179.8	-80.1	-178.1	-45.6	0	0	112.5
42	K	23.7	Very low	27.3	Very low	202 Å²	202	143.1 Å²	143.1	88%	0.878	72%	0.717	S	S	*	*			trans	72.9	92.1	162.7	-86.7	-177.6	171.6	-179.9	0	117.9
43	R	21.1	Very low	27.3	Very low	206 Å²	206	145.7 Å²	145.7	78%	0.777	71%	0.714	S	S	*	*			trans	-96.2	121.1	143.8	-95.1	175	169.4	-169	-19.5	109.4	E20	E20-R43 VanDerWaalsContact CD-NH2 3.33Å; E20-R43 IonicContact OE1-CZ 3.53Å; E20-R43 IonicContact OE1-NH2 2.62Å; E20-R43 PolarHBondContact OE1-NH2 3.14Å; E20-R43 VanDerWaalsContact OE1-NH2 3.08Å; E20-R43 IonicContact OE2-CZ 3.83Å; E20-R43 IonicContact OE2-NE 2.72Å; E20-R43 IonicContact OE2-NH1 2.69Å; E20-R43 PolarHBondContact OE2-NH1 2.8Å; E20-R43 IonicContact OE2-NH2 3.69Å; E20-R43 PolarHBondContact OE2-NH2 3.35Å
44	S	26.1	Very low	27.3	Very low	101 Å²	101	142.9 Å²	142.9	71%	0.706	70%	0.704	S	S	*	*			trans	-158.3	85.6	165.9	162.9	0	0	0	0	108
45	F	25.8	Very low	27.4	Very low	181 Å²	181	142.7 Å²	142.7	79%	0.794	70%	0.703	S	S	*	*			trans	-149.3	107.3	152.5	-94	-79.4	0	0	0	107.3	N47	F45-N47 WeakPolarHBondContact CD1-OD1 3.42Å
46	I	28.2	Very low	27.4	Very low	112 Å²	112	146.3 Å²	146.3	57%	0.574	71%	0.705	S	S	*	*			trans	-110.4	82.8	161.3	-59.8	172	0	0	0	104.2	I18 K48	I18-I46 HydrophobicContact CD1-CD1 3.35Å; I18-I46 HydrophobicContact CG1-CD1 3.7Å; I46-K48 HydrophobicContact CG2-CG 4.09Å
47	N	30.3	Very low	27.3	Very low	99 Å²	99	142.3 Å²	142.3	53%	0.529	69%	0.69	S	S	.	*			trans	-85.8	111.9	164.7	-74.7	4	0	0	0	106.3	F45 E174	F45-N47 WeakPolarHBondContact CD1-OD1 3.42Å; N47-E174 PolarHBondContact ND2-OE2 2.95Å
48	K	30.5	Very low	27.4	Very low	133 Å²	133	145 Å²	145	58%	0.578	69%	0.692	S	S	*	*			trans	-91	105.7	170.6	-74.3	-172.4	177.4	-169.7	0	107.7	I46 L50	I46-K48 HydrophobicContact CG2-CG 4.09Å; K48-L50 PolarHBondContact O-N 2.64Å
49	Q	27.9	Very low	27.4	Very low	162 Å²	162	143 Å²	143	76%	0.757	69%	0.688	S	S	*	*	B	Isolated β-bridge	trans	-61.7	128.5	162.3	-78.1	-175.5	-29.7	0	0	108.9	R51	Q49-R51 PolarHBondContact O-N 2.89Å; Q49-R51 VanDerWaalsContact O-N 3.1Å
50	L	32.9	Very low	27.8	Very low	48 Å²	48	142.1 Å²	142.1	25%	0.251	68%	0.677	S	S	.	*			trans	-77.7	90.3	176.8	-162.4	89.3	0	0	0	109.2	K48 I52 F167 Y173	K48-L50 PolarHBondContact O-N 2.64Å; L50-I52 HydrophobicContact CD2-CD1 3.72Å; L50-I52 HydrophobicContact CD2-CG1 3.65Å; L50-I52 HydrophobicContact CG-CG1 3.98Å; L50-I52 PolarHBondContact O-N 3.3Å; L50-F167 HydrophobicContact CD2-CD2 4.2Å; L50-Y173 HydrophobicContact CB-CD1 4.31Å; L50-Y173 HydrophobicContact CD1-CD1 3.28Å; L50-Y173 HydrophobicContact CD1-CD2 4.05Å; L50-Y173 HydrophobicContact CD1-CE1 3.34Å; L50-Y173 HydrophobicContact CD1-CE2 4.09Å; L50-Y173 HydrophobicContact CD1-CG 3.64Å; L50-Y173 HydrophobicContact CG-CD1 4.38Å
51	R	26.6	Very low	28	Very low	201 Å²	201	141.2 Å²	141.2	76%	0.758	67%	0.665	S	S	*	*			trans	-84.2	101.9	160.3	-89.7	-173.1	176.7	-172.1	-1.3	108.4	Q49 I53	Q49-R51 PolarHBondContact O-N 2.89Å; Q49-R51 VanDerWaalsContact O-N 3.1Å; R51-I53 HydrophobicContact CB-CG1 4.42Å; R51-I53 PolarHBondContact O-N 2.69Å; R51-I53 VanDerWaalsContact O-N 3.08Å
52	I	35.5	Very low	28.2	Very low	64 Å²	64	139.3 Å²	139.3	33%	0.328	66%	0.657	S	S	.	*			trans	-76.1	92.3	169.6	-57.7	174.7	0	0	0	107	L50 L148 V159	L50-I52 HydrophobicContact CD2-CD1 3.72Å; L50-I52 HydrophobicContact CD2-CG1 3.65Å; L50-I52 HydrophobicContact CG-CG1 3.98Å; L50-I52 PolarHBondContact O-N 3.3Å; I52-L148 HydrophobicContact CD1-CD2 4.49Å; I52-L148 HydrophobicContact CG2-CD2 4.4Å; I52-V159 HydrophobicContact CD1-CG1 3.99Å; I52-V159 HydrophobicContact CD1-CG2 3.97Å
53	I	27.8	Very low	28.5	Very low	118 Å²	118	134.4 Å²	134.4	61%	0.605	65%	0.648	S	S	*	*			trans	-85.6	110.3	168.1	-57.3	175.4	0	0	0	106.2	R51 L55	R51-I53 HydrophobicContact CB-CG1 4.42Å; R51-I53 PolarHBondContact O-N 2.69Å; R51-I53 VanDerWaalsContact O-N 3.08Å; I53-L55 VanDerWaalsContact C-N 3.28Å; I53-L55 HydrophobicContact CG2-CD2 3.95Å; I53-L55 HydrophobicContact CG2-CG 4.09Å; I53-L55 PolarHBondContact O-N 3.43Å
54	L	29.8	Very low	28.7	Very low	124 Å²	124	133.6 Å²	133.6	65%	0.649	65%	0.65	S	S	*	*			trans	-67.7	91.5	166.7	-68	172	0	0	0	107.4	Y56	L54-Y56 VanDerWaalsContact C-N 3.35Å; L54-Y56 PolarHBondContact O-N 2.77Å
55	L	24.9	Very low	28.9	Very low	138 Å²	138	136.8 Å²	136.8	72%	0.723	66%	0.656	S	S	*	*			trans	-73	96.5	169.2	-70.2	171.1	0	0	0	107.3	I53 D57	I53-L55 VanDerWaalsContact C-N 3.28Å; I53-L55 HydrophobicContact CG2-CD2 3.95Å; I53-L55 HydrophobicContact CG2-CG 4.09Å; I53-L55 PolarHBondContact O-N 3.43Å; L55-D57 PolarHBondContact O-N 2.92Å
56	Y	26.6	Very low	29.6	Very low	195 Å²	195	134.5 Å²	134.5	77%	0.765	65%	0.646	S	S	*	*			trans	-72.5	112	164.6	-135.2	-97.6	0	0	0	106.9	L54	L54-Y56 VanDerWaalsContact C-N 3.35Å; L54-Y56 PolarHBondContact O-N 2.77Å
57	D	26.7	Very low	29.9	Very low	95 Å²	95	133.3 Å²	133.3	51%	0.508	65%	0.647	S	S	.	*			trans	-103.1	114.4	171.7	-169.3	-20.3	0	0	0	107.1	L55 D59 L60	L55-D57 PolarHBondContact O-N 2.92Å; D57-D59 PolarHBondContact O-N 2.98Å; D57-D59 VanDerWaalsContact O-N 3.14Å; D57-D59 PolarHBondContact OD1-N 3.06Å; D57-L60 PolarHBondContact O-N 3.24Å
58	E	29.4	Very low	30.5	Very low	175 Å²	175	137 Å²	137	82%	0.818	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-20.9	-176.7	-76.7	-161.2	159.5	0	0	113.1	L60	E58-L60 VanDerWaalsContact C-N 3.31Å; E58-L60 PolarHBondContact O-N 2.84Å
59	D	29.7	Very low	31.4	Very low	154 Å²	154	132.7 Å²	132.7	82%	0.824	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-4.5	-178.1	-78.2	-33.2	0	0	0	114	D57	D57-D59 PolarHBondContact O-N 2.98Å; D57-D59 VanDerWaalsContact O-N 3.14Å; D57-D59 PolarHBondContact OD1-N 3.06Å
60	L	31.2	Very low	32.3	Very low	118 Å²	118	132.3 Å²	132.3	62%	0.618	64%	0.637	S	S	*	*			trans	-109.5	52.2	-176.7	-95.7	147.2	0	0	0	112.9	D57 E58 Q62	D57-L60 PolarHBondContact O-N 3.24Å; E58-L60 VanDerWaalsContact C-N 3.31Å; E58-L60 PolarHBondContact O-N 2.84Å; L60-Q62 PolarHBondContact O-N 3.12Å
61	K	29.1	Very low	33.1	Very low	159 Å²	159	130.5 Å²	130.5	69%	0.691	63%	0.63	S	S	*	*			trans	-63.8	121.3	162.9	-78.3	-173.1	176.4	-173.6	0	109.7
62	Q	29.4	Very low	34.5	Very low	141 Å²	141	122 Å²	122	66%	0.659	60%	0.599	S	S	*	*	S	Bend	trans	74.5	111.6	174.8	-59.7	-177.1	2.8	0	0	117.9	L60 E282	L60-Q62 PolarHBondContact O-N 3.12Å; Q62-E282 PolarHBondContact NE2-OE1 2.83Å
63	S	28.5	Very low	35.5	Very low	99 Å²	99	122.8 Å²	122.8	69%	0.692	60%	0.601	S	S	*	*			trans	44.2	93.2	146.5	79	0	0	0	0	117.2
64	K	26.4	Very low	36.5	Very low	189 Å²	189	119 Å²	119	82%	0.822	58%	0.584	S	S	*	*			trans	171.6	131.5	135.5	-94.6	153.9	-172.8	176	0	107
65	M	30	Very low	37.7	Very low	167 Å²	167	115.9 Å²	115.9	82%	0.823	57%	0.572	S	S	*	*			trans	93.9	57.2	156.1	-147.8	169.5	-174.6	0	0	118.3
66	F	40.6	Very low	39.1	Very low	134 Å²	134	110.3 Å²	110.3	59%	0.588	54%	0.544	S	S	*	.			trans	-102.2	25.6	140	-89.1	-78.1	0	0	0	112.1	K68	F66-K68 PolarHBondContact O-N 3.04Å
67	S	34.4	Very low	40.3	Very low	87 Å²	87	102.9 Å²	102.9	61%	0.608	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	10.4	-179	60	0	0	0	0	115.4
68	K	43.5	Very low	41.4	Very low	177 Å²	177	106.5 Å²	106.5	77%	0.77	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150	69.1	173.3	-64.5	-173.9	-178.6	172.5	0	111.7	F66 K70	F66-K68 PolarHBondContact O-N 3.04Å; K68-K70 PolarHBondContact O-N 3.27Å; K68-K70 VanDerWaalsContact O-N 3.1Å
69	I	49.2	Very low	42.5	Very low	42 Å²	42	100.2 Å²	100.2	22%	0.215	51%	0.505	C	S	.	.	S	Bend	trans	-59.1	116.2	141.6	-54.7	-171	0	0	0	104.7	G71 F72 L148 M149 F167	I69-G71 PolarHBondContact O-N 3.49Å; I69-F72 HydrophobicContact CB-CB 4.44Å; I69-F72 PolarHBondContact O-N 3.39Å; I69-L148 HydrophobicContact CD1-CD2 3.84Å; I69-L148 HydrophobicContact CD1-CG 4.27Å; I69-M149 HydrophobicContact CB-CE 4.41Å; I69-M149 HydrophobicContact CD1-CE 3.82Å; I69-M149 HydrophobicContact CD1-SD 3.45Å; I69-M149 WeakPolarHBondContact CD1-SD 3.35Å; I69-M149 HydrophobicContact CG1-CE 4.37Å; I69-F167 HydrophobicContact CB-CZ 4.16Å; I69-F167 HydrophobicContact CD1-CZ 4.47Å; I69-F167 HydrophobicContact CG2-CE1 3.81Å; I69-F167 HydrophobicContact CG2-CE2 4.3Å; I69-F167 HydrophobicContact CG2-CZ 3.37Å
70	K	46.4	Very low	43.4	Very low	153 Å²	153	103.3 Å²	103.3	67%	0.665	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	121	-176	-83.6	-177.7	178.6	172.1	0	107.8	K68 Y173	K68-K70 PolarHBondContact O-N 3.27Å; K68-K70 VanDerWaalsContact O-N 3.1Å; K70-Y173 VanDerWaalsContact CB-OH 3.27Å; K70-Y173 WeakPolarHBondContact CB-OH 3.34Å; K70-Y173 VanDerWaalsContact O-CE2 3.3Å; K70-Y173 WeakPolarHBondContact O-CE2 3.45Å; K70-Y173 PolarHBondContact O-OH 3.43Å
71	G	48.5	Very low	44.2	Very low	10 Å²	10	105.8 Å²	105.8	10%	0.103	52%	0.516	C	S	.	.	T	Hydrogen-bonded Turn	trans	103.2	-15	-179.1	0	0	0	0	0	115.6	I69 H73 V76 Y166 I170 M172	I69-G71 PolarHBondContact O-N 3.49Å; G71-H73 PolarHBondContact O-N 2.78Å; G71-V76 WeakPolarHBondContact O-CG2 3.1Å; G71-Y166 PolarHBondContact O-OH 3.21Å; G71-I170 WeakPolarHBondContact O-CD1 3.31Å; G71-M172 VanDerWaalsContact CA-SD 3.58Å
72	F	57.5	Low	45.1	Very low	22 Å²	22	99.7 Å²	99.7	10%	0.096	49%	0.49	C	S	.	.			trans	-95.9	82.4	175.2	-166.3	-106.2	0	0	0	112.2	I69 V138 F139 M149 Y166 F167	I69-F72 HydrophobicContact CB-CB 4.44Å; I69-F72 PolarHBondContact O-N 3.39Å; F72-V138 HydrophobicContact CE1-CB 4.2Å; F72-V138 HydrophobicContact CE1-CG1 4.07Å; F72-F139 HydrophobicContact CE2-CD1 4.25Å; F72-F139 AromaticContact CE2-CE1 3.74Å; F72-F139 HydrophobicContact CE2-CE1 3.74Å; F72-F139 HydrophobicContact CE2-CE2 4.35Å; F72-F139 AromaticContact CE2-CZ 3.79Å; F72-F139 HydrophobicContact CE2-CZ 3.79Å; F72-F139 AromaticContact CZ-CD1 3.87Å; F72-F139 HydrophobicContact CZ-CD1 3.87Å; F72-F139 AromaticContact CZ-CE1 3.84Å; F72-F139 HydrophobicContact CZ-CE1 3.84Å; F72-F139 HydrophobicContact CZ-CG 4.24Å; F72-F139 HydrophobicContact CZ-CZ 4.17Å; F72-M149 HydrophobicContact CB-CE 3.38Å; F72-M149 HydrophobicContact CD1-CE 3.15Å; F72-M149 HydrophobicContact CD2-CE 3.28Å; F72-M149 HydrophobicContact CE1-CB 4.02Å; F72-M149 HydrophobicContact CE1-CE 3.55Å; F72-M149 HydrophobicContact CE2-CB 4.06Å; F72-M149 HydrophobicContact CE2-CE 3.74Å; F72-M149 HydrophobicContact CE2-CG 4.33Å; F72-M149 HydrophobicContact CG-CE 2.98Å; F72-M149 HydrophobicContact CZ-CB 3.67Å; F72-M149 HydrophobicContact CZ-CE 3.86Å; F72-M149 HydrophobicContact CZ-CG 4.39Å; F72-Y166 HydrophobicContact CB-CE1 4.2Å; F72-Y166 AromaticContact CD2-CD1 3.74Å; F72-Y166 HydrophobicContact CD2-CD1 3.74Å; F72-Y166 HydrophobicContact CD2-CD2 4.44Å; F72-Y166 AromaticContact CD2-CE1 3.34Å; F72-Y166 HydrophobicContact CD2-CE1 3.34Å; F72-Y166 HydrophobicContact CD2-CE2 4.07Å; F72-Y166 HydrophobicContact CD2-CG 4.28Å; F72-Y166 AromaticContact CD2-CZ 3.48Å; F72-Y166 VanDerWaalsContact CD2-CZ 3.48Å; F72-Y166 HydrophobicContact CE2-CD1 4.25Å; F72-Y166 HydrophobicContact CE2-CD2 4.34Å; F72-Y166 HydrophobicContact CE2-CE1 4.15Å; F72-Y166 HydrophobicContact CE2-CE2 4.2Å; F72-Y166 HydrophobicContact CE2-CG 4.36Å; F72-Y166 HydrophobicContact CG-CE1 4.23Å; F72-F167 HydrophobicContact CB-CE1 4.47Å; F72-F167 HydrophobicContact CB-CZ 4.46Å
73	H	55.5	Low	46.1	Very low	81 Å²	81	97.2 Å²	97.2	38%	0.375	48%	0.484	S	S	.	.	S	Bend	trans	-160.5	143.4	170.7	-169.5	-95.7	0	0	0	109.1	G71 S75 V76	G71-H73 PolarHBondContact O-N 2.78Å; H73-S75 WeakPolarHBondContact ND1-CB 3.41Å; H73-S75 PolarHBondContact ND1-N 2.7Å; H73-S75 VanDerWaalsContact ND1-N 3.16Å; H73-S75 PolarHBondContact ND1-OG 2.84Å; H73-S75 PolarHBondContact O-N 3.07Å; H73-V76 HydrophobicContact CB-CG2 4.23Å; H73-V76 VanDerWaalsContact O-CB 3.25Å; H73-V76 WeakPolarHBondContact O-CB 3.45Å; H73-V76 WeakPolarHBondContact O-CG2 3.39Å; H73-V76 PolarHBondContact O-N 2.75Å
74	P	50	Low	47.1	Very low	38 Å²	38	94.2 Å²	94.2	25%	0.247	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-54.8	-30.1	179	-28.3	35.3	0	0	0	114.4	V76 Y77 T137	P74-V76 PolarHBondContact O-N 2.89Å; P74-Y77 HydrophobicContact CB-CD2 4.41Å; P74-Y77 HydrophobicContact CB-CE2 4.27Å; P74-Y77 WeakPolarHBondContact O-CB 3.48Å; P74-Y77 WeakPolarHBondContact O-CD2 3.43Å; P74-Y77 PolarHBondContact O-N 3.33Å; P74-T137 HydrophobicContact CG-CG2 3.94Å
75	S	55	Low	48.1	Very low	59 Å²	59	90.4 Å²	90.4	41%	0.413	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-69.4	-11.4	176.6	72	0	0	0	0	114.5	H73 Y77 E78 S79	H73-S75 WeakPolarHBondContact ND1-CB 3.41Å; H73-S75 PolarHBondContact ND1-N 2.7Å; H73-S75 VanDerWaalsContact ND1-N 3.16Å; H73-S75 PolarHBondContact ND1-OG 2.84Å; H73-S75 PolarHBondContact O-N 3.07Å; S75-Y77 PolarHBondContact O-N 3.5Å; S75-E78 PolarHBondContact O-N 2.94Å; S75-S79 PolarHBondContact O-N 3.19Å
76	V	54.5	Low	49.1	Very low	22 Å²	22	89.5 Å²	89.5	13%	0.133	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-66.1	-31.3	174.6	173.7	0	0	0	0	110.3	G71 H73 P74 E78 S79 I170 M172	G71-V76 WeakPolarHBondContact O-CG2 3.1Å; H73-V76 HydrophobicContact CB-CG2 4.23Å; H73-V76 VanDerWaalsContact O-CB 3.25Å; H73-V76 WeakPolarHBondContact O-CB 3.45Å; H73-V76 WeakPolarHBondContact O-CG2 3.39Å; H73-V76 PolarHBondContact O-N 2.75Å; P74-V76 PolarHBondContact O-N 2.89Å; V76-E78 VanDerWaalsContact C-N 3.26Å; V76-E78 PolarHBondContact O-N 3.38Å; V76-S79 VanDerWaalsContact O-CB 3.31Å; V76-S79 WeakPolarHBondContact O-CB 3.34Å; V76-S79 PolarHBondContact O-N 2.99Å; V76-S79 VanDerWaalsContact O-N 3.1Å; V76-S79 PolarHBondContact O-OG 3.22Å; V76-I170 HydrophobicContact CG1-CD1 4.42Å; V76-M172 HydrophobicContact CG1-SD 3.75Å
77	Y	51.9	Low	49.7	Very low	38 Å²	38	88.6 Å²	88.6	15%	0.149	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-27.8	174.5	-47.9	-42.9	0	0	0	113	P74 S75 S79 F82 P88 V90 L111 L113 Y166 I170	P74-Y77 HydrophobicContact CB-CD2 4.41Å; P74-Y77 HydrophobicContact CB-CE2 4.27Å; P74-Y77 WeakPolarHBondContact O-CB 3.48Å; P74-Y77 WeakPolarHBondContact O-CD2 3.43Å; P74-Y77 PolarHBondContact O-N 3.33Å; S75-Y77 PolarHBondContact O-N 3.5Å; Y77-S79 VanDerWaalsContact C-N 3.3Å; Y77-F82 HydrophobicContact CD1-CD2 4.28Å; Y77-F82 HydrophobicContact CD1-CE2 4.06Å; Y77-P88 HydrophobicContact CD1-CB 3.66Å; Y77-P88 HydrophobicContact CD1-CG 3.25Å; Y77-P88 HydrophobicContact CD2-CB 4.05Å; Y77-P88 HydrophobicContact CD2-CG 4.38Å; Y77-P88 HydrophobicContact CE1-CB 3.96Å; Y77-P88 HydrophobicContact CE1-CG 3.89Å; Y77-P88 HydrophobicContact CE2-CB 4.35Å; Y77-P88 HydrophobicContact CG-CB 3.7Å; Y77-P88 HydrophobicContact CG-CG 3.54Å; Y77-V90 HydrophobicContact CD2-CG2 4.22Å; Y77-V90 HydrophobicContact CE2-CG2 3.96Å; Y77-L111 HydrophobicContact CE1-CD1 4.37Å; Y77-L111 HydrophobicContact CE2-CD1 3.74Å; Y77-L111 WeakPolarHBondContact OH-CD1 3.32Å; Y77-L111 WeakPolarHBondContact OH-CD2 3.03Å; Y77-L113 HydrophobicContact CE1-CD1 4.48Å; Y77-Y166 HydrophobicContact CE1-CE2 4.2Å; Y77-Y166 WeakPolarHBondContact OH-CE2 3.46Å; Y77-Y166 PolarHBondContact OH-OH 3.08Å; Y77-I170 HydrophobicContact CE1-CG2 3.97Å
78	E	49.2	Very low	50.9	Low	171 Å²	171	85.5 Å²	85.5	80%	0.799	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-7.5	175.6	-60.9	-178	170	0	0	112.4	S75 V76	S75-E78 PolarHBondContact O-N 2.94Å; V76-E78 VanDerWaalsContact C-N 3.26Å; V76-E78 PolarHBondContact O-N 3.38Å
79	S	52	Low	52.4	Low	44 Å²	44	79.1 Å²	79.1	31%	0.308	42%	0.422	S	S	.	.	S	Bend	trans	-79.2	139.3	-176.6	85.5	0	0	0	0	111.6	S75 V76 Y77 K81 F82	S75-S79 PolarHBondContact O-N 3.19Å; V76-S79 VanDerWaalsContact O-CB 3.31Å; V76-S79 WeakPolarHBondContact O-CB 3.34Å; V76-S79 PolarHBondContact O-N 2.99Å; V76-S79 VanDerWaalsContact O-N 3.1Å; V76-S79 PolarHBondContact O-OG 3.22Å; Y77-S79 VanDerWaalsContact C-N 3.3Å; S79-K81 PolarHBondContact O-N 2.8Å; S79-F82 WeakPolarHBondContact O-CB 3.5Å; S79-F82 PolarHBondContact O-N 2.53Å
80	K	47.7	Very low	54.1	Low	218 Å²	218	80.4 Å²	80.4	95%	0.948	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-6.3	176	-68	-173	177.6	-176.4	0	114.9
81	K	48.9	Very low	56.2	Low	170 Å²	170	76.7 Å²	76.7	74%	0.739	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-15.2	177.3	-72.5	-170.3	175.5	-171.8	0	113.1	S79 T83	S79-K81 PolarHBondContact O-N 2.8Å; K81-T83 PolarHBondContact O-N 3.15Å
82	F	47.6	Very low	58.3	Low	32 Å²	32	81.2 Å²	81.2	14%	0.14	44%	0.438	C	S	.	.			trans	-69.2	116.4	174	-174	-90	0	0	0	108.8	Y77 S79 P88 I170	Y77-F82 HydrophobicContact CD1-CD2 4.28Å; Y77-F82 HydrophobicContact CD1-CE2 4.06Å; S79-F82 WeakPolarHBondContact O-CB 3.5Å; S79-F82 PolarHBondContact O-N 2.53Å; F82-P88 HydrophobicContact CD1-CG 4.49Å; F82-P88 HydrophobicContact CD2-CG 4.47Å; F82-P88 HydrophobicContact CE1-CG 3.69Å; F82-P88 HydrophobicContact CE2-CG 3.64Å; F82-P88 VanDerWaalsContact CZ-CD 3.44Å; F82-P88 HydrophobicContact CZ-CG 3.21Å; F82-I170 HydrophobicContact CD2-CB 4.24Å; F82-I170 HydrophobicContact CD2-CG2 4.46Å; F82-I170 HydrophobicContact CE2-CB 4.14Å; F82-I170 HydrophobicContact CE2-CG2 4.07Å
83	T	51	Low	60.1	Low	88 Å²	88	81.1 Å²	81.1	54%	0.54	44%	0.439	S	S	.	.			trans	-123.8	24.8	-170.2	42.4	0	0	0	0	112.4	K81 N171	K81-T83 PolarHBondContact O-N 3.15Å; T83-N171 PolarHBondContact OG1-ND2 3.37Å
84	S	50.3	Low	62	Low	37 Å²	37	79.8 Å²	79.8	26%	0.259	44%	0.438	S	S	.	.			trans	-70.4	142.3	171.3	177.1	0	0	0	0	111.1	K86	S84-K86 PolarHBondContact O-N 3.17Å; S84-K86 PolarHBondContact OG-N 2.58Å; S84-K86 PolarHBondContact OG-O 2.99Å; S84-K86 VanDerWaalsContact OG-O 3.07Å
85	A	47.5	Very low	64.2	Low	109 Å²	109	78.9 Å²	78.9	90%	0.901	43%	0.431	S	S	*	.	S	Bend	trans	-66.8	-14.4	176.4	0	0	0	0	0	113.6
86	K	49.6	Very low	66.3	Low	148 Å²	148	79.9 Å²	79.9	64%	0.643	44%	0.439	S	S	*	.	S	Bend	trans	-127.4	132.6	172.5	-83.2	-179.1	176.3	177.4	0	110.2	S84	S84-K86 PolarHBondContact O-N 3.17Å; S84-K86 PolarHBondContact OG-N 2.58Å; S84-K86 PolarHBondContact OG-O 2.99Å; S84-K86 VanDerWaalsContact OG-O 3.07Å
87	P	52.8	Low	68.3	Low	114 Å²	114	79.1 Å²	79.1	74%	0.74	43%	0.433	S	S	*	.			trans	-63.5	141.8	176.5	25.1	-31.2	0	0	0	110.4	S89	P87-S89 PolarHBondContact O-N 3.35Å
88	P	60.7	Low	70.5	Confident	22 Å²	22	79 Å²	79	14%	0.143	44%	0.435	C	S	.	.			trans	-56.5	122.8	170.2	-22.9	36.8	0	0	0	108.5	Y77 F82 V90 L111 L113	Y77-P88 HydrophobicContact CD1-CB 3.66Å; Y77-P88 HydrophobicContact CD1-CG 3.25Å; Y77-P88 HydrophobicContact CD2-CB 4.05Å; Y77-P88 HydrophobicContact CD2-CG 4.38Å; Y77-P88 HydrophobicContact CE1-CB 3.96Å; Y77-P88 HydrophobicContact CE1-CG 3.89Å; Y77-P88 HydrophobicContact CE2-CB 4.35Å; Y77-P88 HydrophobicContact CG-CB 3.7Å; Y77-P88 HydrophobicContact CG-CG 3.54Å; F82-P88 HydrophobicContact CD1-CG 4.49Å; F82-P88 HydrophobicContact CD2-CG 4.47Å; F82-P88 HydrophobicContact CE1-CG 3.69Å; F82-P88 HydrophobicContact CE2-CG 3.64Å; F82-P88 VanDerWaalsContact CZ-CD 3.44Å; F82-P88 HydrophobicContact CZ-CG 3.21Å; P88-V90 PolarHBondContact O-N 3.32Å; P88-L111 HydrophobicContact CB-CD1 4.32Å; P88-L113 HydrophobicContact CB-CD2 3.58Å; P88-L113 HydrophobicContact CG-CD2 3.72Å
89	S	74	Confident	72.8	Confident	44 Å²	44	71 Å²	71	31%	0.308	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	100.2	170.5	89.1	0	0	0	0	108.1	P87 Q91 S112	P87-S89 PolarHBondContact O-N 3.35Å; S89-Q91 PolarHBondContact OG-OE1 3.27Å; S89-S112 PolarHBondContact N-O 2.8Å; S89-S112 PolarHBondContact O-N 3.48Å; S89-S112 WeakPolarHBondContact OG-CB 3.48Å
90	V	85.7	Confident	74.9	Confident	69 Å²	69	71.1 Å²	71.1	42%	0.418	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	115.1	155.4	180	0	0	0	0	105.6	Y77 P88 T109 I110 L111	Y77-V90 HydrophobicContact CD2-CG2 4.22Å; Y77-V90 HydrophobicContact CE2-CG2 3.96Å; P88-V90 PolarHBondContact O-N 3.32Å; V90-T109 HydrophobicContact CG1-CG2 3.6Å; V90-I110 WeakPolarHBondContact CA-O 3.45Å; V90-L111 HydrophobicContact CG2-CD1 3.91Å
91	Q	89.7	Confident	77.3	Confident	74 Å²	74	66.2 Å²	66.2	35%	0.346	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	154	-178.4	67.5	-175.3	27.8	0	0	110.8	S89 I110	S89-Q91 PolarHBondContact OG-OE1 3.27Å; Q91-I110 HydrophobicContact CG-CD1 3.87Å; Q91-I110 HydrophobicContact CG-CG1 3.65Å; Q91-I110 PolarHBondContact N-O 3.09Å; Q91-I110 WeakPolarHBondContact O-CG1 2.88Å; Q91-I110 PolarHBondContact O-N 3.4Å
92	N	93.1	Very high	79.6	Confident	105 Å²	105	59.4 Å²	59.4	56%	0.561	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	136	170.9	-65.9	-16.2	0	0	0	109.1	K108 T109	N92-K108 CarbonylContact C-O 3.56Å; N92-K108 WeakPolarHBondContact CA-O 3.44Å; N92-T109 PolarHBondContact OD1-OG1 3.44Å
93	I	94.7	Very high	82	Confident	21 Å²	21	62.1 Å²	62.1	11%	0.108	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	155.6	168.8	63.1	170.4	0	0	0	109.4	L95 Q107 K108 I110	I93-L95 HydrophobicContact CD1-CD1 4.47Å; I93-L95 HydrophobicContact CD1-CD2 3.83Å; I93-L95 HydrophobicContact CD1-CG 4.19Å; I93-L95 HydrophobicContact CG1-CD2 4.45Å; I93-L95 HydrophobicContact CG1-CG 4.44Å; I93-Q107 WeakPolarHBondContact O-CA 3.49Å; I93-K108 HydrophobicContact CG1-CB 4.14Å; I93-K108 PolarHBondContact N-O 3.24Å; I93-K108 PolarHBondContact O-N 3.43Å; I93-I110 HydrophobicContact CD1-CD1 4.34Å; I93-I110 HydrophobicContact CD1-CG2 3.67Å; I93-I110 HydrophobicContact CG1-CG2 3.92Å; I93-I110 HydrophobicContact CG2-CD1 3.54Å; I93-I110 HydrophobicContact CG2-CG1 3.95Å
94	S	96.6	Very high	84.2	Confident	52 Å²	52	61 Å²	61	36%	0.364	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126.4	174.7	-146.8	0	0	0	0	109.7	E105 V106 Q107	S94-E105 WeakPolarHBondContact CB-OE1 3.4Å; S94-E105 WeakPolarHBondContact OG-CG 3.48Å; S94-E105 PolarHBondContact OG-OE1 2.91Å; S94-V106 WeakPolarHBondContact CA-O 3.48Å; S94-Q107 PolarHBondContact OG-NE2 3.19Å
95	L	96.8	Very high	86.5	Confident	19 Å²	19	66.3 Å²	66.3	10%	0.099	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	142	178.3	-60.9	179.4	0	0	0	110.4	I93 W97 V106 K108 L195	I93-L95 HydrophobicContact CD1-CD1 4.47Å; I93-L95 HydrophobicContact CD1-CD2 3.83Å; I93-L95 HydrophobicContact CD1-CG 4.19Å; I93-L95 HydrophobicContact CG1-CD2 4.45Å; I93-L95 HydrophobicContact CG1-CG 4.44Å; L95-W97 HydrophobicContact CB-CE3 4.4Å; L95-W97 HydrophobicContact CD1-CZ3 4.22Å; L95-V106 HydrophobicContact CB-CG2 3.93Å; L95-V106 PolarHBondContact N-O 3.36Å; L95-V106 PolarHBondContact O-N 3.08Å; L95-K108 HydrophobicContact CD1-CB 4.38Å; L95-K108 HydrophobicContact CD1-CG 3.8Å; L95-K108 HydrophobicContact CG-CG 4.42Å; L95-L195 HydrophobicContact CD2-CB 4.47Å; L95-L195 HydrophobicContact CD2-CD2 4.14Å
96	S	97.2	Very high	88.8	Confident	81 Å²	81	62.3 Å²	62.3	57%	0.566	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	121.7	167.2	-164	0	0	0	0	108.6	T103	S96-T103 WeakPolarHBondContact OG-CG2 3.44Å
97	W	97.3	Very high	91	Very high	5 Å²	5	60.7 Å²	60.7	2%	0.019	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	104.4	-170.8	-154.3	-99.2	0	0	0	110.6	L95 T103 Y104 V106 K196 S197 V246 Y249	L95-W97 HydrophobicContact CB-CE3 4.4Å; L95-W97 HydrophobicContact CD1-CZ3 4.22Å; W97-T103 WeakPolarHBondContact O-CA 3.4Å; W97-Y104 PolarHBondContact N-O 2.89Å; W97-Y104 PolarHBondContact O-N 3.07Å; W97-V106 HydrophobicContact CB-CB 4.31Å; W97-V106 HydrophobicContact CB-CG1 3.62Å; W97-V106 HydrophobicContact CB-CG2 3.75Å; W97-V106 HydrophobicContact CD2-CG2 3.82Å; W97-V106 HydrophobicContact CE3-CG2 3.66Å; W97-V106 HydrophobicContact CG-CG1 3.87Å; W97-V106 HydrophobicContact CG-CG2 3.92Å; W97-V106 HydrophobicContact CZ3-CG2 4.46Å; W97-K196 WeakPolarHBondContact CZ3-O 3.48Å; W97-S197 VanDerWaalsContact CE2-CB 3.4Å; W97-V246 HydrophobicContact CG-CG2 4.45Å; W97-Y249 AromaticContact NE1-CE1 3.91Å; W97-Y249 PolarHBondContact NE1-OH 3.37Å
98	L	98.3	Very high	93.1	Very high	36 Å²	36	56.6 Å²	56.6	19%	0.188	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	131.2	177	-173.6	65.6	0	0	0	110.8	T103 S197 Y199 E200	L98-T103 WeakPolarHBondContact CD1-OG1 3.37Å; L98-S197 VanDerWaalsContact O-CB 3.27Å; L98-S197 WeakPolarHBondContact O-CB 3.39Å; L98-S197 PolarHBondContact O-OG 2.9Å; L98-Y199 HydrophobicContact CB-CD1 4.44Å; L98-Y199 HydrophobicContact CD2-CD1 4.12Å; L98-Y199 HydrophobicContact CD2-CE1 4Å; L98-Y199 HydrophobicContact CG-CD1 3.86Å; L98-Y199 HydrophobicContact CG-CE1 3.9Å; L98-E200 HydrophobicContact CB-CB 4.11Å; L98-E200 HydrophobicContact CB-CG 4.31Å; L98-E200 WeakPolarHBondContact CB-OE2 3.31Å; L98-E200 HydrophobicContact CD2-CB 4.18Å; L98-E200 HydrophobicContact CD2-CG 3.93Å
99	S	97.7	Very high	94.7	Very high	4 Å²	4	58 Å²	58	3%	0.028	32%	0.318	C	S	.	.			trans	-124.8	178.2	164.6	90.9	0	0	0	0	110.3	K101 G102 Y104 E245 Q248	S99-K101 PolarHBondContact O-N 3.31Å; S99-K101 PolarHBondContact OG-N 3.25Å; S99-G102 PolarHBondContact N-O 2.88Å; S99-G102 PolarHBondContact O-N 3.4Å; S99-Y104 WeakPolarHBondContact OG-CE2 3.1Å; S99-E245 VanDerWaalsContact CB-O 3.27Å; S99-E245 WeakPolarHBondContact CB-O 3.5Å; S99-E245 PolarHBondContact OG-O 3.28Å; S99-Q248 WeakPolarHBondContact CB-O 3.21Å
100	T	96.4	Very high	95.7	Very high	45 Å²	45	56.1 Å²	56.1	28%	0.276	30%	0.304	S	S	.	.	S	Bend	trans	-64.9	-16	172.9	58.3	0	0	0	0	113.8	Y199 Q248 D251	T100-Y199 HydrophobicContact CG2-CE1 4.29Å; T100-Y199 HydrophobicContact CG2-CE2 4.05Å; T100-Q248 WeakPolarHBondContact CB-O 3.4Å; T100-Q248 WeakPolarHBondContact CG2-O 3.46Å; T100-Q248 PolarHBondContact N-O 3.26Å; T100-Q248 WeakPolarHBondContact OG1-CB 3.34Å; T100-Q248 PolarHBondContact OG1-O 2.84Å; T100-D251 HydrophobicContact CG2-CB 3.89Å
101	K	97.2	Very high	95.9	Very high	115 Å²	115	52.9 Å²	52.9	50%	0.5	29%	0.285	S	S	.	.	S	Bend	trans	-98.3	-20.1	-178.4	-61.9	-57.6	178.1	-172.7	0	113.8	S99 Y104 E245	S99-K101 PolarHBondContact O-N 3.31Å; S99-K101 PolarHBondContact OG-N 3.25Å; K101-Y104 WeakPolarHBondContact CB-OH 3.45Å; K101-E245 HydrophobicContact CB-CB 3.91Å; K101-E245 HydrophobicContact CB-CG 4.4Å; K101-E245 HydrophobicContact CG-CB 3.95Å; K101-E245 HydrophobicContact CG-CG 4.18Å
102	G	97.4	Very high	96.1	Very high	27 Å²	27	50.6 Å²	50.6	28%	0.278	28%	0.277	S	S	.	.			trans	159.8	-171.9	179.3	0	0	0	0	0	111.8	S99 Y104	S99-G102 PolarHBondContact N-O 2.88Å; S99-G102 PolarHBondContact O-N 3.4Å; G102-Y104 WeakPolarHBondContact O-CD2 3.28Å; G102-Y104 WeakPolarHBondContact O-CE2 3.4Å
103	T	98.2	Very high	95.9	Very high	89 Å²	89	45.7 Å²	45.7	55%	0.546	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	129.2	173.6	-53.3	0	0	0	0	108.5	S96 W97 L98	S96-T103 WeakPolarHBondContact OG-CG2 3.44Å; W97-T103 WeakPolarHBondContact O-CA 3.4Å; L98-T103 WeakPolarHBondContact CD1-OG1 3.37Å
104	Y	98.1	Very high	95.7	Very high	65 Å²	65	48.2 Å²	48.2	26%	0.255	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	155.3	-177.9	-59.6	-95	0	0	0	109.9	W97 S99 K101 G102 E245 V246	W97-Y104 PolarHBondContact N-O 2.89Å; W97-Y104 PolarHBondContact O-N 3.07Å; S99-Y104 WeakPolarHBondContact OG-CE2 3.1Å; K101-Y104 WeakPolarHBondContact CB-OH 3.45Å; G102-Y104 WeakPolarHBondContact O-CD2 3.28Å; G102-Y104 WeakPolarHBondContact O-CE2 3.4Å; Y104-E245 WeakPolarHBondContact OH-CB 3.21Å; Y104-E245 PolarHBondContact OH-OE2 2.91Å; Y104-V246 HydrophobicContact CD2-CB 4.34Å; Y104-V246 HydrophobicContact CD2-CG2 4.32Å; Y104-V246 HydrophobicContact CG-CB 4.35Å; Y104-V246 HydrophobicContact CG-CG2 4.23Å
105	E	97.6	Very high	95.4	Very high	148 Å²	148	49.7 Å²	49.7	69%	0.692	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	111.5	170.3	-173.1	179.1	155.6	0	0	108.4	S94	S94-E105 WeakPolarHBondContact CB-OE1 3.4Å; S94-E105 WeakPolarHBondContact OG-CG 3.48Å; S94-E105 PolarHBondContact OG-OE1 2.91Å
106	V	96.5	Very high	95.2	Very high	25 Å²	25	48.8 Å²	48.8	15%	0.152	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	134.2	-177.1	-58.6	0	0	0	0	111.1	S94 L95 W97 K108 V246	S94-V106 WeakPolarHBondContact CA-O 3.48Å; L95-V106 HydrophobicContact CB-CG2 3.93Å; L95-V106 PolarHBondContact N-O 3.36Å; L95-V106 PolarHBondContact O-N 3.08Å; W97-V106 HydrophobicContact CB-CB 4.31Å; W97-V106 HydrophobicContact CB-CG1 3.62Å; W97-V106 HydrophobicContact CB-CG2 3.75Å; W97-V106 HydrophobicContact CD2-CG2 3.82Å; W97-V106 HydrophobicContact CE3-CG2 3.66Å; W97-V106 HydrophobicContact CG-CG1 3.87Å; W97-V106 HydrophobicContact CG-CG2 3.92Å; W97-V106 HydrophobicContact CZ3-CG2 4.46Å; V106-K108 HydrophobicContact CG2-CG 4.49Å; V106-V246 HydrophobicContact CG1-CG2 3.64Å
107	Q	96.1	Very high	95.1	Very high	114 Å²	114	45.8 Å²	45.8	53%	0.533	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	126.1	175.9	-65.7	-67	-41.2	0	0	109.7	I93 S94	I93-Q107 WeakPolarHBondContact O-CA 3.49Å; S94-Q107 PolarHBondContact OG-NE2 3.19Å
108	K	95.4	Very high	95	Very high	28 Å²	28	51.1 Å²	51.1	12%	0.122	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133.4	176.4	-68	-61.2	-164.4	157.8	0	110.2	N92 I93 L95 V106 E133 D271	N92-K108 CarbonylContact C-O 3.56Å; N92-K108 WeakPolarHBondContact CA-O 3.44Å; I93-K108 HydrophobicContact CG1-CB 4.14Å; I93-K108 PolarHBondContact N-O 3.24Å; I93-K108 PolarHBondContact O-N 3.43Å; L95-K108 HydrophobicContact CD1-CB 4.38Å; L95-K108 HydrophobicContact CD1-CG 3.8Å; L95-K108 HydrophobicContact CG-CG 4.42Å; V106-K108 HydrophobicContact CG2-CG 4.49Å; K108-E133 HydrophobicContact CB-CG 4.32Å; K108-E133 HydrophobicContact CD-CG 4.21Å; K108-E133 WeakPolarHBondContact CE-OE1 3.21Å; K108-E133 IonicContact NZ-OE1 3.72Å; K108-E133 PolarHBondContact NZ-OE1 3.44Å; K108-E133 IonicContact NZ-OE2 3.65Å; K108-D271 IonicContact NZ-OD1 3.91Å; K108-D271 IonicContact NZ-OD2 2.59Å; K108-D271 PolarHBondContact NZ-OD2 2.78Å
109	T	94.6	Very high	94.9	Very high	52 Å²	52	50.2 Å²	50.2	32%	0.319	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	127.2	172.6	-51.4	0	0	0	0	108.8	V90 N92 E133 L134	V90-T109 HydrophobicContact CG1-CG2 3.6Å; N92-T109 PolarHBondContact OD1-OG1 3.44Å; T109-E133 WeakPolarHBondContact O-CA 3.43Å; T109-L134 HydrophobicContact CG2-CD1 4.33Å; T109-L134 PolarHBondContact O-N 2.98Å
110	I	94.3	Very high	94.9	Very high	4 Å²	4	50 Å²	50	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	151.9	175.7	61.3	164.3	0	0	0	111.3	V90 Q91 I93 Q130 I132	V90-I110 WeakPolarHBondContact CA-O 3.45Å; Q91-I110 HydrophobicContact CG-CD1 3.87Å; Q91-I110 HydrophobicContact CG-CG1 3.65Å; Q91-I110 PolarHBondContact N-O 3.09Å; Q91-I110 WeakPolarHBondContact O-CG1 2.88Å; Q91-I110 PolarHBondContact O-N 3.4Å; I93-I110 HydrophobicContact CD1-CD1 4.34Å; I93-I110 HydrophobicContact CD1-CG2 3.67Å; I93-I110 HydrophobicContact CG1-CG2 3.92Å; I93-I110 HydrophobicContact CG2-CD1 3.54Å; I93-I110 HydrophobicContact CG2-CG1 3.95Å; I110-Q130 HydrophobicContact CD1-CB 3.69Å; I110-I132 CarbonylContact C-O 3.45Å; I110-I132 VanDerWaalsContact CA-O 3.25Å; I110-I132 WeakPolarHBondContact CA-O 3.48Å
111	L	91.6	Very high	95	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.8	167.9	175.8	65.9	0	0	0	109.4	Y77 P88 V90 L113 M116 G131 I132 L134 F139 Y166	Y77-L111 HydrophobicContact CE1-CD1 4.37Å; Y77-L111 HydrophobicContact CE2-CD1 3.74Å; Y77-L111 WeakPolarHBondContact OH-CD1 3.32Å; Y77-L111 WeakPolarHBondContact OH-CD2 3.03Å; P88-L111 HydrophobicContact CB-CD1 4.32Å; V90-L111 HydrophobicContact CG2-CD1 3.91Å; L111-L113 HydrophobicContact CD1-CD1 4.45Å; L111-L113 HydrophobicContact CD1-CG 4.19Å; L111-L113 HydrophobicContact CD2-CD1 4.11Å; L111-L113 HydrophobicContact CG-CD1 4.34Å; L111-L113 HydrophobicContact CG-CG 4.23Å; L111-M116 HydrophobicContact CB-CE 4.1Å; L111-M116 HydrophobicContact CD2-CE 3.79Å; L111-M116 HydrophobicContact CD2-SD 3.94Å; L111-M116 HydrophobicContact CG-CE 3.7Å; L111-M116 WeakPolarHBondContact O-CE 3.38Å; L111-G131 CarbonylContact O-C 3.46Å; L111-G131 WeakPolarHBondContact O-CA 3.44Å; L111-I132 PolarHBondContact N-O 2.83Å; L111-I132 PolarHBondContact O-N 3.1Å; L111-L134 HydrophobicContact CB-CD1 3.97Å; L111-L134 HydrophobicContact CB-CD2 4Å; L111-L134 HydrophobicContact CB-CG 4.12Å; L111-F139 HydrophobicContact CD2-CE1 4.25Å; L111-Y166 HydrophobicContact CD2-CD2 3.93Å; L111-Y166 HydrophobicContact CD2-CE2 3.84Å
112	S	92.1	Very high	94.9	Very high	27 Å²	27	51.2 Å²	51.2	19%	0.189	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	113	175.1	-157.5	0	0	0	0	110.9	S89 Q130	S89-S112 PolarHBondContact N-O 2.8Å; S89-S112 PolarHBondContact O-N 3.48Å; S89-S112 WeakPolarHBondContact OG-CB 3.48Å; S112-Q130 VanDerWaalsContact CB-O 3.27Å; S112-Q130 WeakPolarHBondContact CB-O 3.29Å; S112-Q130 PolarHBondContact OG-O 3.16Å
113	L	89.3	Confident	94.8	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	25%	0.251	C	S	.	.			trans	-128.4	142.8	171.8	-63.4	170.5	0	0	0	108.8	Y77 P88 L111 K115 M116 L117 Y166 D169 I170	Y77-L113 HydrophobicContact CE1-CD1 4.48Å; P88-L113 HydrophobicContact CB-CD2 3.58Å; P88-L113 HydrophobicContact CG-CD2 3.72Å; L111-L113 HydrophobicContact CD1-CD1 4.45Å; L111-L113 HydrophobicContact CD1-CG 4.19Å; L111-L113 HydrophobicContact CD2-CD1 4.11Å; L111-L113 HydrophobicContact CG-CD1 4.34Å; L111-L113 HydrophobicContact CG-CG 4.23Å; L113-K115 PolarHBondContact O-N 2.56Å; L113-M116 HydrophobicContact CB-CB 3.99Å; L113-M116 HydrophobicContact CB-CE 4.36Å; L113-M116 HydrophobicContact CD1-SD 4.39Å; L113-L117 WeakPolarHBondContact O-CB 3.48Å; L113-L117 PolarHBondContact O-N 2.96Å; L113-Y166 HydrophobicContact CD1-CD2 3.59Å; L113-Y166 HydrophobicContact CD1-CE2 3.85Å; L113-D169 HydrophobicContact CB-CB 3.85Å; L113-D169 WeakPolarHBondContact CB-OD2 3.04Å; L113-D169 HydrophobicContact CD1-CB 3.91Å; L113-D169 HydrophobicContact CD2-CB 4.4Å; L113-D169 HydrophobicContact CG-CB 4.29Å; L113-I170 HydrophobicContact CD1-CG2 4.4Å
114	P	90.7	Very high	94.7	Very high	73 Å²	73	46.9 Å²	46.9	47%	0.474	23%	0.225	S	C	.	.	H	α-helix	trans	-59.5	-49.3	-167.2	-25.7	35.1	0	0	0	115.4	K118	P114-K118 PolarHBondContact O-N 3.2Å; P114-K118 VanDerWaalsContact O-N 3.16Å
115	K	91.3	Very high	94.6	Very high	84 Å²	84	48.9 Å²	48.9	37%	0.365	24%	0.24	S	C	.	.	H	α-helix	trans	-76.7	-42.3	-178.5	-59.9	179.4	-175.9	178.9	0	110.9	L113 L117 K118 E119 A165 E168 D169	L113-K115 PolarHBondContact O-N 2.56Å; K115-L117 VanDerWaalsContact C-N 3.27Å; K115-L117 PolarHBondContact O-N 2.89Å; K115-K118 WeakPolarHBondContact O-CB 3.4Å; K115-K118 PolarHBondContact O-N 2.84Å; K115-K118 VanDerWaalsContact O-N 3.1Å; K115-E119 PolarHBondContact O-N 3.5Å; K115-A165 HydrophobicContact CB-CB 4.12Å; K115-E168 HydrophobicContact CD-CB 4.27Å; K115-E168 HydrophobicContact CD-CG 4.02Å; K115-E168 VanDerWaalsContact CD-OE2 3.27Å; K115-E168 WeakPolarHBondContact CD-OE2 3.37Å; K115-E168 IonicContact NZ-OE1 2.72Å; K115-E168 PolarHBondContact NZ-OE1 2.98Å; K115-E168 IonicContact NZ-OE2 2.89Å; K115-D169 WeakPolarHBondContact CA-OD2 3.3Å; K115-D169 WeakPolarHBondContact CB-OD1 3.03Å; K115-D169 WeakPolarHBondContact CB-OD2 3.37Å; K115-D169 VanDerWaalsContact CG-OD1 3.32Å; K115-D169 WeakPolarHBondContact CG-OD1 3.38Å; K115-D169 PolarHBondContact N-OD1 2.82Å; K115-D169 PolarHBondContact N-OD2 2.94Å
116	M	92.3	Very high	94.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.4	-43	175.5	-171.1	-171.2	71.3	0	0	111.3	L111 L113 A120 I132 F139 I162 A165 Y166 D169	L111-M116 HydrophobicContact CB-CE 4.1Å; L111-M116 HydrophobicContact CD2-CE 3.79Å; L111-M116 HydrophobicContact CD2-SD 3.94Å; L111-M116 HydrophobicContact CG-CE 3.7Å; L111-M116 WeakPolarHBondContact O-CE 3.38Å; L113-M116 HydrophobicContact CB-CB 3.99Å; L113-M116 HydrophobicContact CB-CE 4.36Å; L113-M116 HydrophobicContact CD1-SD 4.39Å; M116-A120 WeakPolarHBondContact O-CB 2.96Å; M116-A120 PolarHBondContact O-N 3.36Å; M116-I132 HydrophobicContact CE-CB 3.97Å; M116-I132 HydrophobicContact CE-CG1 3.82Å; M116-I132 HydrophobicContact CG-CG1 4.4Å; M116-I132 HydrophobicContact SD-CG1 4.22Å; M116-F139 HydrophobicContact SD-CE1 4.09Å; M116-F139 HydrophobicContact SD-CZ 3.78Å; M116-I162 HydrophobicContact CG-CG2 3.66Å; M116-A165 HydrophobicContact CB-CB 4.39Å; M116-Y166 HydrophobicContact SD-CD2 3.99Å; M116-D169 PolarHBondContact N-OD2 2.75Å
117	L	94.8	Very high	94.6	Very high	18 Å²	18	46.5 Å²	46.5	9%	0.094	23%	0.228	C	C	.	.	H	α-helix	trans	-68	-37.4	177.6	-176.6	57	0	0	0	111.8	L113 K115 A120 R121 L129	L113-L117 WeakPolarHBondContact O-CB 3.48Å; L113-L117 PolarHBondContact O-N 2.96Å; K115-L117 VanDerWaalsContact C-N 3.27Å; K115-L117 PolarHBondContact O-N 2.89Å; L117-A120 PolarHBondContact O-N 3.21Å; L117-R121 HydrophobicContact CD1-CG 4.21Å; L117-R121 HydrophobicContact CG-CG 4.45Å; L117-R121 WeakPolarHBondContact O-CB 3.27Å; L117-R121 VanDerWaalsContact O-CG 3.23Å; L117-R121 WeakPolarHBondContact O-CG 3.47Å; L117-R121 PolarHBondContact O-N 2.96Å; L117-L129 HydrophobicContact CD1-CB 4.42Å; L117-L129 HydrophobicContact CD1-CD2 4.39Å; L117-L129 HydrophobicContact CD1-CG 4.16Å; L117-L129 WeakPolarHBondContact CD1-O 3.34Å
118	K	95.9	Very high	94.6	Very high	116 Å²	116	47.9 Å²	47.9	50%	0.504	23%	0.234	S	C	.	.	H	α-helix	trans	-59.6	-55.4	174.6	-175.8	-166.1	166.7	-158.5	0	110.8	P114 K115 A120 R121 E122	P114-K118 PolarHBondContact O-N 3.2Å; P114-K118 VanDerWaalsContact O-N 3.16Å; K115-K118 WeakPolarHBondContact O-CB 3.4Å; K115-K118 PolarHBondContact O-N 2.84Å; K115-K118 VanDerWaalsContact O-N 3.1Å; K118-A120 VanDerWaalsContact C-N 3.26Å; K118-A120 PolarHBondContact O-N 3.31Å; K118-R121 PolarHBondContact O-N 2.6Å; K118-E122 WeakPolarHBondContact CE-OE1 2.99Å; K118-E122 IonicContact NZ-OE1 2.77Å; K118-E122 PolarHBondContact O-N 3.2Å; K118-E122 VanDerWaalsContact O-N 3.09Å
119	E	96.1	Very high	94.7	Very high	17 Å²	17	46.8 Å²	46.8	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-61.6	-35.5	179	-64.4	-68.2	145.6	0	0	111.5	K115 H123 R161 I162 A165 Y177	K115-E119 PolarHBondContact O-N 3.5Å; E119-H123 WeakPolarHBondContact O-CB 3.35Å; E119-H123 PolarHBondContact O-N 3.15Å; E119-R161 IonicContact OE1-NH2 2.89Å; E119-R161 WeakPolarHBondContact OE2-CB 3.29Å; E119-R161 IonicContact OE2-CZ 2.91Å; E119-R161 IonicContact OE2-NE 3.58Å; E119-R161 PolarHBondContact OE2-NE 3.26Å; E119-R161 IonicContact OE2-NH2 2.82Å; E119-I162 HydrophobicContact CB-CG1 4.26Å; E119-A165 HydrophobicContact CB-CB 4.3Å; E119-A165 HydrophobicContact CG-CB 3.72Å; E119-Y177 HydrophobicContact CG-CE1 4.17Å
120	A	96.9	Very high	94.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.9	-42.1	176.2	0	0	0	0	0	112.9	M116 L117 K118 H123 F124 L129 I132 I162	M116-A120 WeakPolarHBondContact O-CB 2.96Å; M116-A120 PolarHBondContact O-N 3.36Å; L117-A120 PolarHBondContact O-N 3.21Å; K118-A120 VanDerWaalsContact C-N 3.26Å; K118-A120 PolarHBondContact O-N 3.31Å; A120-H123 PolarHBondContact O-N 3.33Å; A120-F124 HydrophobicContact CB-CD2 4.32Å; A120-F124 HydrophobicContact CB-CE2 4.38Å; A120-F124 WeakPolarHBondContact O-CB 3.36Å; A120-F124 WeakPolarHBondContact O-CD2 3.23Å; A120-F124 PolarHBondContact O-N 3.48Å; A120-L129 HydrophobicContact CB-CD2 3.79Å; A120-I132 HydrophobicContact CB-CD1 3.53Å; A120-I132 HydrophobicContact CB-CG1 4.19Å; A120-I162 HydrophobicContact CB-CD1 4.16Å; A120-I162 HydrophobicContact CB-CG1 4.31Å; A120-I162 HydrophobicContact CB-CG2 4.42Å
121	R	97.5	Very high	94.7	Very high	78 Å²	78	49.2 Å²	49.2	29%	0.294	24%	0.237	S	C	.	.	H	α-helix	trans	-64.5	-43.1	177.8	-73.9	175.1	172.4	177.7	-5.3	111.6	L117 K118 D125 C126 Q127 L129	L117-R121 HydrophobicContact CD1-CG 4.21Å; L117-R121 HydrophobicContact CG-CG 4.45Å; L117-R121 WeakPolarHBondContact O-CB 3.27Å; L117-R121 VanDerWaalsContact O-CG 3.23Å; L117-R121 WeakPolarHBondContact O-CG 3.47Å; L117-R121 PolarHBondContact O-N 2.96Å; K118-R121 PolarHBondContact O-N 2.6Å; R121-D125 WeakPolarHBondContact O-CA 2.97Å; R121-D125 PolarHBondContact O-N 3.37Å; R121-C126 WeakPolarHBondContact CG-O 3.39Å; R121-C126 PolarHBondContact O-N 2.82Å; R121-C126 VanDerWaalsContact O-N 3.14Å; R121-Q127 PolarHBondContact NE-O 2.97Å; R121-Q127 PolarHBondContact NH2-O 2.69Å; R121-L129 HydrophobicContact CG-CB 4.14Å; R121-L129 PolarHBondContact NE-O 3.26Å; R121-L129 PolarHBondContact NH2-O 2.02Å
122	E	96.4	Very high	94.9	Very high	108 Å²	108	49.1 Å²	49.1	51%	0.505	24%	0.237	S	C	.	.	H	α-helix	trans	-65	-43.8	175.8	-70.6	173.3	-176.6	0	0	111.1	K118	K118-E122 WeakPolarHBondContact CE-OE1 2.99Å; K118-E122 IonicContact NZ-OE1 2.77Å; K118-E122 PolarHBondContact O-N 3.2Å; K118-E122 VanDerWaalsContact O-N 3.09Å
123	H	96	Very high	95.1	Very high	25 Å²	25	48.4 Å²	48.4	12%	0.116	23%	0.231	C	C	.	.	H	α-helix	trans	-65.6	-52.4	-179.7	-178.7	80.5	0	0	0	112.8	E119 A120 D125 I162 F183 W185 K187 G188	E119-H123 WeakPolarHBondContact O-CB 3.35Å; E119-H123 PolarHBondContact O-N 3.15Å; A120-H123 PolarHBondContact O-N 3.33Å; H123-D125 VanDerWaalsContact C-N 3.31Å; H123-D125 PolarHBondContact O-N 2.89Å; H123-I162 HydrophobicContact CB-CD1 3.99Å; H123-I162 HydrophobicContact CB-CG1 4.45Å; H123-F183 AromaticContact CD2-CE1 3.99Å; H123-F183 AromaticContact CE1-CD1 3.21Å; H123-F183 WeakPolarHBondContact CE1-CD1 3.4Å; H123-F183 AromaticContact CE1-CE1 3.6Å; H123-F183 PolarHBondContact CE1-O 2.85Å; H123-F183 AromaticContact ND1-CD1 3.91Å; H123-F183 AromaticContact NE2-CD1 3.45Å; H123-F183 WeakPolarHBondContact NE2-CD1 3.09Å; H123-F183 AromaticContact NE2-CE1 3.28Å; H123-F183 VanDerWaalsContact NE2-CE1 3.28Å; H123-F183 WeakPolarHBondContact NE2-CE1 3.23Å; H123-W185 PolarHBondContact NE2-O 3.48Å; H123-K187 CarbonylContact O-C 3.53Å; H123-K187 VanDerWaalsContact O-CA 3.23Å; H123-K187 WeakPolarHBondContact O-CA 3.35Å; H123-G188 PolarHBondContact O-N 2.8Å
124	F	96.2	Very high	95.3	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-79.7	-11.2	-177.2	-65.4	-62.4	0	0	0	113.8	A120 C126 L129 I132 I143 M144 I162 G186 G190 F193 V194	A120-F124 HydrophobicContact CB-CD2 4.32Å; A120-F124 HydrophobicContact CB-CE2 4.38Å; A120-F124 WeakPolarHBondContact O-CB 3.36Å; A120-F124 WeakPolarHBondContact O-CD2 3.23Å; A120-F124 PolarHBondContact O-N 3.48Å; F124-C126 HydrophobicContact CB-CB 4.42Å; F124-L129 HydrophobicContact CD2-CD2 3.93Å; F124-I132 HydrophobicContact CE2-CD1 3.87Å; F124-I143 VanDerWaalsContact CE1-O 3.32Å; F124-I143 WeakPolarHBondContact CE1-O 3.1Å; F124-I143 WeakPolarHBondContact CZ-O 3.4Å; F124-M144 HydrophobicContact CE2-SD 4.14Å; F124-M144 HydrophobicContact CZ-SD 3.71Å; F124-I162 HydrophobicContact CE2-CD1 3.92Å; F124-I162 HydrophobicContact CZ-CD1 4.25Å; F124-G186 WeakPolarHBondContact CD1-O 3.16Å; F124-G190 VanDerWaalsContact O-CA 3.29Å; F124-G190 WeakPolarHBondContact O-CA 3.43Å; F124-G190 PolarHBondContact O-N 2.96Å; F124-F193 HydrophobicContact CD1-CD1 4.21Å; F124-F193 HydrophobicContact CD1-CE1 4.32Å; F124-F193 HydrophobicContact CE1-CD1 4.42Å; F124-F193 HydrophobicContact CE1-CE1 4.08Å; F124-V194 HydrophobicContact CB-CG1 4.11Å; F124-V194 HydrophobicContact CD1-CG1 3.69Å; F124-V194 HydrophobicContact CD2-CG1 3.87Å; F124-V194 HydrophobicContact CE1-CG1 4.06Å; F124-V194 HydrophobicContact CE2-CG1 4.21Å; F124-V194 HydrophobicContact CG-CG1 3.61Å; F124-V194 HydrophobicContact CZ-CG1 4.31Å
125	D	95.6	Very high	95	Very high	106 Å²	106	48.2 Å²	48.2	57%	0.567	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	51.1	-167.7	-168.3	28.6	0	0	0	112.6	R121 H123 G190	R121-D125 WeakPolarHBondContact O-CA 2.97Å; R121-D125 PolarHBondContact O-N 3.37Å; H123-D125 VanDerWaalsContact C-N 3.31Å; H123-D125 PolarHBondContact O-N 2.89Å; D125-G190 WeakPolarHBondContact O-CA 3.23Å
126	C	97.7	Very high	94.7	Very high	1 Å²	1	47 Å²	47	1%	0.007	24%	0.237	C	C	.	.			trans	-138.5	94.2	-178.8	179.8	0	0	0	0	112.5	R121 F124 E128 L129 C191 V194	R121-C126 WeakPolarHBondContact CG-O 3.39Å; R121-C126 PolarHBondContact O-N 2.82Å; R121-C126 VanDerWaalsContact O-N 3.14Å; F124-C126 HydrophobicContact CB-CB 4.42Å; C126-E128 VanDerWaalsContact C-N 3.26Å; C126-E128 PolarHBondContact O-N 2.84Å; C126-L129 HydrophobicContact CB-CB 4.4Å; C126-L129 VanDerWaalsContact O-CB 3.24Å; C126-L129 WeakPolarHBondContact O-CB 3.09Å; C126-L129 PolarHBondContact O-N 2.89Å; C126-C191 WeakPolarHBondContact CA-SG 3.34Å; C126-C191 HydrophobicContact CB-CB 3.98Å; C126-C191 WeakPolarHBondContact CB-SG 3.37Å; C126-C191 WeakPolarHBondContact SG-CA 3.27Å; C126-C191 WeakPolarHBondContact SG-CB 3.09Å; C126-C191 CovalentContact SG-SG 2.04Å; C126-C191 PolarHBondContact SG-SG 2.82Å; C126-V194 HydrophobicContact CB-CG2 3.98Å
127	Q	96.7	Very high	93.9	Very high	123 Å²	123	50 Å²	50	58%	0.575	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-24.5	-179.3	-62.6	-56.6	-34.1	0	0	113.8	R121 L129	R121-Q127 PolarHBondContact NE-O 2.97Å; R121-Q127 PolarHBondContact NH2-O 2.69Å; Q127-L129 PolarHBondContact O-N 2.84Å
128	E	95.6	Very high	93.5	Very high	142 Å²	142	50.6 Å²	50.6	66%	0.664	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-12.8	177.3	-61.9	-180	-150.6	0	0	113.3	C126 Q130 L195	C126-E128 VanDerWaalsContact C-N 3.26Å; C126-E128 PolarHBondContact O-N 2.84Å; E128-Q130 PolarHBondContact O-N 3.16Å; E128-L195 HydrophobicContact CB-CD1 4.35Å
129	L	96.6	Very high	93.3	Very high	6 Å²	6	45.1 Å²	45.1	3%	0.031	24%	0.236	C	C	.	.			trans	-57.9	130.7	-179.1	-169.9	64.7	0	0	0	110.3	L117 A120 R121 F124 C126 Q127 G131 I132 V194 L195	L117-L129 HydrophobicContact CD1-CB 4.42Å; L117-L129 HydrophobicContact CD1-CD2 4.39Å; L117-L129 HydrophobicContact CD1-CG 4.16Å; L117-L129 WeakPolarHBondContact CD1-O 3.34Å; A120-L129 HydrophobicContact CB-CD2 3.79Å; R121-L129 HydrophobicContact CG-CB 4.14Å; R121-L129 PolarHBondContact NE-O 3.26Å; R121-L129 PolarHBondContact NH2-O 2.02Å; F124-L129 HydrophobicContact CD2-CD2 3.93Å; C126-L129 HydrophobicContact CB-CB 4.4Å; C126-L129 VanDerWaalsContact O-CB 3.24Å; C126-L129 WeakPolarHBondContact O-CB 3.09Å; C126-L129 PolarHBondContact O-N 2.89Å; Q127-L129 PolarHBondContact O-N 2.84Å; L129-G131 VanDerWaalsContact CD1-O 3.31Å; L129-G131 WeakPolarHBondContact CD1-O 3.02Å; L129-I132 HydrophobicContact CD2-CD1 4.44Å; L129-V194 HydrophobicContact CD1-CB 4.29Å; L129-V194 HydrophobicContact CD1-CG2 4.18Å; L129-L195 HydrophobicContact CD1-CD2 4.22Å
130	Q	95.1	Very high	93.3	Very high	104 Å²	104	44.4 Å²	44.4	49%	0.486	23%	0.233	S	C	.	.			trans	-100.5	-17.1	-176.8	-61.1	179.8	31.8	0	0	112.9	I110 S112 E128	I110-Q130 HydrophobicContact CD1-CB 3.69Å; S112-Q130 VanDerWaalsContact CB-O 3.27Å; S112-Q130 WeakPolarHBondContact CB-O 3.29Å; S112-Q130 PolarHBondContact OG-O 3.16Å; E128-Q130 PolarHBondContact O-N 3.16Å
131	G	94.8	Very high	93.1	Very high	2 Å²	2	44.5 Å²	44.5	2%	0.021	23%	0.233	C	C	.	.	S	Bend	trans	172.5	176	-175.6	0	0	0	0	0	110.8	L111 L129	L111-G131 CarbonylContact O-C 3.46Å; L111-G131 WeakPolarHBondContact O-CA 3.44Å; L129-G131 VanDerWaalsContact CD1-O 3.31Å; L129-G131 WeakPolarHBondContact CD1-O 3.02Å
132	I	95.7	Very high	93	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	127.8	174.6	-66.2	-61.4	0	0	0	109.7	I110 L111 M116 A120 F124 L129 F139 I143 M144 I162	I110-I132 CarbonylContact C-O 3.45Å; I110-I132 VanDerWaalsContact CA-O 3.25Å; I110-I132 WeakPolarHBondContact CA-O 3.48Å; L111-I132 PolarHBondContact N-O 2.83Å; L111-I132 PolarHBondContact O-N 3.1Å; M116-I132 HydrophobicContact CE-CB 3.97Å; M116-I132 HydrophobicContact CE-CG1 3.82Å; M116-I132 HydrophobicContact CG-CG1 4.4Å; M116-I132 HydrophobicContact SD-CG1 4.22Å; A120-I132 HydrophobicContact CB-CD1 3.53Å; A120-I132 HydrophobicContact CB-CG1 4.19Å; F124-I132 HydrophobicContact CE2-CD1 3.87Å; L129-I132 HydrophobicContact CD2-CD1 4.44Å; I132-F139 HydrophobicContact CG2-CB 4.33Å; I132-F139 HydrophobicContact CG2-CD1 3.6Å; I132-F139 HydrophobicContact CG2-CD2 4.45Å; I132-F139 HydrophobicContact CG2-CE1 3.96Å; I132-F139 HydrophobicContact CG2-CG 3.89Å; I132-I143 HydrophobicContact CG2-CD1 4.36Å; I132-M144 HydrophobicContact CD1-SD 4.15Å; I132-M144 HydrophobicContact CG2-CG 4.11Å; I132-M144 HydrophobicContact CG2-SD 4.43Å; I132-I162 HydrophobicContact CD1-CG2 4.18Å; I132-I162 HydrophobicContact CG1-CG2 4.04Å
133	E	95.7	Very high	93.1	Very high	11 Å²	11	35.8 Å²	35.8	5%	0.051	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	135.2	173.9	-169.7	-170.9	139.7	0	0	111.6	K108 T109 S140 R142 I143	K108-E133 HydrophobicContact CB-CG 4.32Å; K108-E133 HydrophobicContact CD-CG 4.21Å; K108-E133 WeakPolarHBondContact CE-OE1 3.21Å; K108-E133 IonicContact NZ-OE1 3.72Å; K108-E133 PolarHBondContact NZ-OE1 3.44Å; K108-E133 IonicContact NZ-OE2 3.65Å; T109-E133 WeakPolarHBondContact O-CA 3.43Å; E133-S140 WeakPolarHBondContact O-CB 3.1Å; E133-S140 PolarHBondContact O-N 3.36Å; E133-S140 PolarHBondContact OE1-OG 3.46Å; E133-R142 IonicContact OE2-CZ 3.08Å; E133-R142 IonicContact OE2-NE 3.84Å; E133-R142 PolarHBondContact OE2-NE 2.85Å; E133-R142 IonicContact OE2-NH2 2.84Å; E133-R142 PolarHBondContact OE2-NH2 3.41Å; E133-I143 HydrophobicContact CB-CD1 3.53Å; E133-I143 HydrophobicContact CB-CG1 4.13Å
134	L	92.9	Very high	93.1	Very high	16 Å²	16	34.6 Å²	34.6	8%	0.084	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.9	177.2	-57.1	-179.6	0	0	0	111.4	T109 L111 V138 F139	T109-L134 HydrophobicContact CG2-CD1 4.33Å; T109-L134 PolarHBondContact O-N 2.98Å; L111-L134 HydrophobicContact CB-CD1 3.97Å; L111-L134 HydrophobicContact CB-CD2 4Å; L111-L134 HydrophobicContact CB-CG 4.12Å; L134-V138 CarbonylContact C-O 3.51Å; L134-V138 VanDerWaalsContact CA-O 3.24Å; L134-V138 WeakPolarHBondContact CA-O 3.39Å; L134-F139 HydrophobicContact CD2-CD1 3.73Å; L134-F139 HydrophobicContact CD2-CE1 4.22Å
135	D	86.1	Confident	93	Very high	55 Å²	55	34.6 Å²	34.6	29%	0.294	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	88.1	158.8	178.4	25.5	0	0	0	108.7	T137 V138 R151	D135-T137 PolarHBondContact O-N 2.92Å; D135-T137 VanDerWaalsContact O-N 3.07Å; D135-V138 HydrophobicContact CB-CG2 4.47Å; D135-V138 PolarHBondContact N-O 2.93Å; D135-V138 VanDerWaalsContact O-CG2 3.3Å; D135-V138 WeakPolarHBondContact O-CG2 3.44Å; D135-V138 PolarHBondContact O-N 3.07Å; D135-R151 IonicContact OD1-NH1 3.45Å; D135-R151 WeakPolarHBondContact OD2-CD 3.41Å; D135-R151 IonicContact OD2-NH1 3.05Å; D135-R151 PolarHBondContact OD2-NH1 3.39Å
136	G	83.4	Confident	92.7	Very high	58 Å²	58	29.5 Å²	29.5	60%	0.598	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.7	-100	-175	0	0	0	0	0	112.3
137	T	77.2	Confident	92.5	Very high	65 Å²	65	29.5 Å²	29.5	40%	0.399	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	0.3	-177.4	65.2	0	0	0	0	113.6	P74 D135	P74-T137 HydrophobicContact CG-CG2 3.94Å; D135-T137 PolarHBondContact O-N 2.92Å; D135-T137 VanDerWaalsContact O-N 3.07Å
138	V	85.3	Confident	91.9	Very high	30 Å²	30	24.4 Å²	24.4	18%	0.182	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	166.1	-177.4	-61.9	0	0	0	0	110.2	F72 L134 D135 M149 R151	F72-V138 HydrophobicContact CE1-CB 4.2Å; F72-V138 HydrophobicContact CE1-CG1 4.07Å; L134-V138 CarbonylContact C-O 3.51Å; L134-V138 VanDerWaalsContact CA-O 3.24Å; L134-V138 WeakPolarHBondContact CA-O 3.39Å; D135-V138 HydrophobicContact CB-CG2 4.47Å; D135-V138 PolarHBondContact N-O 2.93Å; D135-V138 VanDerWaalsContact O-CG2 3.3Å; D135-V138 WeakPolarHBondContact O-CG2 3.44Å; D135-V138 PolarHBondContact O-N 3.07Å; V138-M149 WeakPolarHBondContact CB-O 3.48Å; V138-R151 HydrophobicContact CG2-CB 3.81Å; V138-R151 HydrophobicContact CG2-CG 4.39Å
139	F	92.1	Very high	91.5	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	144.2	175.4	-65.5	-20.2	0	0	0	111.2	F72 L111 M116 I132 L134 Q141 M144 M149 T150 Y166	F72-F139 HydrophobicContact CE2-CD1 4.25Å; F72-F139 AromaticContact CE2-CE1 3.74Å; F72-F139 HydrophobicContact CE2-CE1 3.74Å; F72-F139 HydrophobicContact CE2-CE2 4.35Å; F72-F139 AromaticContact CE2-CZ 3.79Å; F72-F139 HydrophobicContact CE2-CZ 3.79Å; F72-F139 AromaticContact CZ-CD1 3.87Å; F72-F139 HydrophobicContact CZ-CD1 3.87Å; F72-F139 AromaticContact CZ-CE1 3.84Å; F72-F139 HydrophobicContact CZ-CE1 3.84Å; F72-F139 HydrophobicContact CZ-CG 4.24Å; F72-F139 HydrophobicContact CZ-CZ 4.17Å; L111-F139 HydrophobicContact CD2-CE1 4.25Å; M116-F139 HydrophobicContact SD-CE1 4.09Å; M116-F139 HydrophobicContact SD-CZ 3.78Å; I132-F139 HydrophobicContact CG2-CB 4.33Å; I132-F139 HydrophobicContact CG2-CD1 3.6Å; I132-F139 HydrophobicContact CG2-CD2 4.45Å; I132-F139 HydrophobicContact CG2-CE1 3.96Å; I132-F139 HydrophobicContact CG2-CG 3.89Å; L134-F139 HydrophobicContact CD2-CD1 3.73Å; L134-F139 HydrophobicContact CD2-CE1 4.22Å; F139-Q141 PolarHBondContact O-N 3.21Å; F139-M144 HydrophobicContact CB-CB 4Å; F139-M144 HydrophobicContact CB-CG 3.71Å; F139-M144 HydrophobicContact CD2-CE 3.96Å; F139-M144 HydrophobicContact CD2-CG 4.02Å; F139-M144 HydrophobicContact CE2-CE 4.31Å; F139-M144 HydrophobicContact CG-CG 4.1Å; F139-M149 HydrophobicContact CD2-CB 3.54Å; F139-M149 HydrophobicContact CD2-CG 4.39Å; F139-M149 HydrophobicContact CE2-CB 3.78Å; F139-M149 HydrophobicContact CE2-CG 4.18Å; F139-M149 HydrophobicContact CG-CB 4.18Å; F139-M149 PolarHBondContact N-O 3.48Å; F139-T150 HydrophobicContact CB-CG2 4.32Å; F139-Y166 HydrophobicContact CZ-CD2 4.5Å
140	S	95	Very high	91	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.021	11%	0.111	C	C	.	.			trans	-62.4	121.9	176.3	174.8	0	0	0	0	110	E133 R142 I143 M144	E133-S140 WeakPolarHBondContact O-CB 3.1Å; E133-S140 PolarHBondContact O-N 3.36Å; E133-S140 PolarHBondContact OE1-OG 3.46Å; S140-R142 PolarHBondContact O-N 2.82Å; S140-R142 PolarHBondContact OG-N 2.04Å; S140-I143 PolarHBondContact O-N 3.01Å; S140-M144 WeakPolarHBondContact O-CB 3.32Å; S140-M144 PolarHBondContact O-N 3.03Å
141	Q	93.9	Very high	90.3	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-57.9	-30.7	176.4	-133.2	96.2	12.5	0	0	111.6	F139 I143 G145 T150 R151 F152 F269 F270	F139-Q141 PolarHBondContact O-N 3.21Å; Q141-I143 PolarHBondContact O-N 3.05Å; Q141-G145 VanDerWaalsContact O-CA 3.22Å; Q141-G145 WeakPolarHBondContact O-CA 3.16Å; Q141-G145 PolarHBondContact O-N 2.82Å; Q141-T150 VanDerWaalsContact NE2-CB 3.26Å; Q141-T150 PolarHBondContact NE2-OG1 3.1Å; Q141-R151 VanDerWaalsContact OE1-CB 3.26Å; Q141-F152 PolarHBondContact NE2-O 3.2Å; Q141-F269 HydrophobicContact CB-CB 4.44Å; Q141-F269 HydrophobicContact CB-CD2 4.05Å; Q141-F269 WeakPolarHBondContact CB-O 3.45Å; Q141-F269 HydrophobicContact CG-CD2 3.8Å; Q141-F269 HydrophobicContact CG-CE2 4.39Å; Q141-F270 HydrophobicContact CB-CD1 3.95Å; Q141-F270 HydrophobicContact CB-CE1 3.94Å; Q141-F270 HydrophobicContact CG-CD1 4.19Å; Q141-F270 HydrophobicContact CG-CE1 3.71Å; Q141-F270 HydrophobicContact CG-CZ 3.9Å; Q141-F270 WeakPolarHBondContact O-CD1 3.48Å; Q141-F270 WeakPolarHBondContact O-CE1 3.27Å
142	R	96	Very high	89.5	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-55.9	-48.3	-179.8	-173.2	-172.8	67.1	92.8	-4.3	112.2	E133 S140 W185 F193 V194 K196 D271	E133-R142 IonicContact OE2-CZ 3.08Å; E133-R142 IonicContact OE2-NE 3.84Å; E133-R142 PolarHBondContact OE2-NE 2.85Å; E133-R142 IonicContact OE2-NH2 2.84Å; E133-R142 PolarHBondContact OE2-NH2 3.41Å; S140-R142 PolarHBondContact O-N 2.82Å; S140-R142 PolarHBondContact OG-N 2.04Å; R142-W185 PolarHBondContact O-NE1 3.49Å; R142-F193 PolarHBondContact NH1-O 3.36Å; R142-V194 PolarHBondContact NH2-O 3.1Å; R142-K196 PolarHBondContact NH1-O 3Å; R142-D271 WeakPolarHBondContact CD-OD2 3.42Å; R142-D271 IonicContact NE-OD2 3.49Å
143	I	97	Very high	88.4	Confident	3 Å²	3	29.1 Å²	29.1	2%	0.015	15%	0.154	C	C	.	.	H	α-helix	trans	-99.5	-25.2	-174.9	62	162.8	0	0	0	113.1	F124 I132 E133 S140 Q141 W185 V194	F124-I143 VanDerWaalsContact CE1-O 3.32Å; F124-I143 WeakPolarHBondContact CE1-O 3.1Å; F124-I143 WeakPolarHBondContact CZ-O 3.4Å; I132-I143 HydrophobicContact CG2-CD1 4.36Å; E133-I143 HydrophobicContact CB-CD1 3.53Å; E133-I143 HydrophobicContact CB-CG1 4.13Å; S140-I143 PolarHBondContact O-N 3.01Å; Q141-I143 PolarHBondContact O-N 3.05Å; I143-W185 PolarHBondContact O-NE1 2.93Å; I143-V194 HydrophobicContact CB-CG1 4.32Å; I143-V194 HydrophobicContact CG2-CB 4.48Å; I143-V194 HydrophobicContact CG2-CG1 4.2Å
144	M	95.9	Very high	87.4	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-102.8	-9	-179.4	-68.3	-57.7	-66.1	0	0	113.8	F124 I132 F139 S140 N146 D147 T150 I162 F183	F124-M144 HydrophobicContact CE2-SD 4.14Å; F124-M144 HydrophobicContact CZ-SD 3.71Å; I132-M144 HydrophobicContact CD1-SD 4.15Å; I132-M144 HydrophobicContact CG2-CG 4.11Å; I132-M144 HydrophobicContact CG2-SD 4.43Å; F139-M144 HydrophobicContact CB-CB 4Å; F139-M144 HydrophobicContact CB-CG 3.71Å; F139-M144 HydrophobicContact CD2-CE 3.96Å; F139-M144 HydrophobicContact CD2-CG 4.02Å; F139-M144 HydrophobicContact CE2-CE 4.31Å; F139-M144 HydrophobicContact CG-CG 4.1Å; S140-M144 WeakPolarHBondContact O-CB 3.32Å; S140-M144 PolarHBondContact O-N 3.03Å; M144-N146 PolarHBondContact O-N 3.23Å; M144-N146 VanDerWaalsContact O-N 3.09Å; M144-D147 HydrophobicContact CB-CB 4.05Å; M144-D147 HydrophobicContact CE-CB 3.76Å; M144-D147 VanDerWaalsContact O-CB 3.22Å; M144-D147 WeakPolarHBondContact O-CB 3.31Å; M144-D147 PolarHBondContact O-N 2.82Å; M144-T150 HydrophobicContact CB-CG2 3.58Å; M144-I162 HydrophobicContact CE-CB 4.05Å; M144-I162 HydrophobicContact CE-CD1 3.88Å; M144-I162 HydrophobicContact CE-CG2 4.05Å; M144-I162 HydrophobicContact SD-CD1 3.98Å; M144-F183 HydrophobicContact CE-CE1 4.2Å; M144-F183 HydrophobicContact CE-CZ 4.22Å; M144-F183 WeakPolarHBondContact O-CE2 3.38Å; M144-F183 VanDerWaalsContact O-CZ 3.29Å; M144-F183 WeakPolarHBondContact O-CZ 3.14Å
145	G	94.4	Very high	86.5	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	-113.3	165	0	0	0	0	0	115.5	Q141 D147 W185	Q141-G145 VanDerWaalsContact O-CA 3.22Å; Q141-G145 WeakPolarHBondContact O-CA 3.16Å; Q141-G145 PolarHBondContact O-N 2.82Å; G145-D147 VanDerWaalsContact C-N 3.33Å; G145-W185 VanDerWaalsContact CA-CD2 3.43Å
146	N	90.6	Very high	86.2	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	18.6	177.4	65.4	-32.6	0	0	0	113.4	M144 L154 S156 S157 R158 F183 W185	M144-N146 PolarHBondContact O-N 3.23Å; M144-N146 VanDerWaalsContact O-N 3.09Å; N146-L154 HydrophobicContact CB-CD1 4.1Å; N146-S156 WeakPolarHBondContact CB-O 2.93Å; N146-S156 PolarHBondContact ND2-O 3.31Å; N146-S157 CarbonylContact O-C 3.5Å; N146-S157 WeakPolarHBondContact O-CA 3.4Å; N146-R158 PolarHBondContact O-N 3.2Å; N146-F183 VanDerWaalsContact OD1-CE2 3.3Å; N146-F183 WeakPolarHBondContact OD1-CE2 3.48Å; N146-W185 VanDerWaalsContact OD1-CB 3.28Å; N146-W185 WeakPolarHBondContact OD1-CB 3.31Å
147	D	92.2	Very high	86.2	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-68.1	142.5	170.3	-179.5	-85.9	0	0	0	111.2	M144 G145 M149 T150 R158 S160 T163 F183	M144-D147 HydrophobicContact CB-CB 4.05Å; M144-D147 HydrophobicContact CE-CB 3.76Å; M144-D147 VanDerWaalsContact O-CB 3.22Å; M144-D147 WeakPolarHBondContact O-CB 3.31Å; M144-D147 PolarHBondContact O-N 2.82Å; G145-D147 VanDerWaalsContact C-N 3.33Å; D147-M149 PolarHBondContact O-N 3.16Å; D147-M149 VanDerWaalsContact O-N 3.11Å; D147-M149 WeakPolarHBondContact OD1-CA 3.49Å; D147-M149 VanDerWaalsContact OD1-CB 3.24Å; D147-M149 WeakPolarHBondContact OD1-CB 2.95Å; D147-M149 WeakPolarHBondContact OD1-CG 2.78Å; D147-M149 PolarHBondContact OD1-N 2.62Å; D147-T150 HydrophobicContact CB-CG2 4.15Å; D147-T150 WeakPolarHBondContact O-CB 3.04Å; D147-T150 WeakPolarHBondContact O-CG2 3.46Å; D147-T150 PolarHBondContact O-N 3.02Å; D147-T150 PolarHBondContact O-OG1 3.28Å; D147-R158 CarbonylContact C-O 3.51Å; D147-R158 WeakPolarHBondContact CA-O 3.43Å; D147-S160 WeakPolarHBondContact OD2-CB 3Å; D147-S160 PolarHBondContact OD2-N 3.36Å; D147-S160 PolarHBondContact OD2-OG 3.03Å; D147-T163 VanDerWaalsContact CG-OG1 3.23Å; D147-T163 PolarHBondContact OD1-OG1 3.12Å; D147-T163 PolarHBondContact OD2-OG1 3.04Å; D147-F183 HydrophobicContact CB-CE2 3.83Å; D147-F183 HydrophobicContact CB-CZ 3.99Å
148	L	85.2	Confident	86.5	Confident	16 Å²	16	25.5 Å²	25.5	8%	0.084	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-30.8	-178.8	-178.8	64.5	0	0	0	113.6	I52 I69 T150 R158 V159	I52-L148 HydrophobicContact CD1-CD2 4.49Å; I52-L148 HydrophobicContact CG2-CD2 4.4Å; I69-L148 HydrophobicContact CD1-CD2 3.84Å; I69-L148 HydrophobicContact CD1-CG 4.27Å; L148-T150 VanDerWaalsContact C-N 3.3Å; L148-T150 PolarHBondContact O-N 3.42Å; L148-R158 PolarHBondContact N-O 3.08Å; L148-V159 HydrophobicContact CB-CG2 4.46Å; L148-V159 HydrophobicContact CD2-CG2 3.81Å
149	M	85.4	Confident	86.6	Confident	8 Å²	8	24.9 Å²	24.9	4%	0.039	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	10	-172.9	-52	-48.1	-62.6	0	0	113.6	I69 F72 V138 F139 D147 T163 F167	I69-M149 HydrophobicContact CB-CE 4.41Å; I69-M149 HydrophobicContact CD1-CE 3.82Å; I69-M149 HydrophobicContact CD1-SD 3.45Å; I69-M149 WeakPolarHBondContact CD1-SD 3.35Å; I69-M149 HydrophobicContact CG1-CE 4.37Å; F72-M149 HydrophobicContact CB-CE 3.38Å; F72-M149 HydrophobicContact CD1-CE 3.15Å; F72-M149 HydrophobicContact CD2-CE 3.28Å; F72-M149 HydrophobicContact CE1-CB 4.02Å; F72-M149 HydrophobicContact CE1-CE 3.55Å; F72-M149 HydrophobicContact CE2-CB 4.06Å; F72-M149 HydrophobicContact CE2-CE 3.74Å; F72-M149 HydrophobicContact CE2-CG 4.33Å; F72-M149 HydrophobicContact CG-CE 2.98Å; F72-M149 HydrophobicContact CZ-CB 3.67Å; F72-M149 HydrophobicContact CZ-CE 3.86Å; F72-M149 HydrophobicContact CZ-CG 4.39Å; V138-M149 WeakPolarHBondContact CB-O 3.48Å; F139-M149 HydrophobicContact CD2-CB 3.54Å; F139-M149 HydrophobicContact CD2-CG 4.39Å; F139-M149 HydrophobicContact CE2-CB 3.78Å; F139-M149 HydrophobicContact CE2-CG 4.18Å; F139-M149 HydrophobicContact CG-CB 4.18Å; F139-M149 PolarHBondContact N-O 3.48Å; D147-M149 PolarHBondContact O-N 3.16Å; D147-M149 VanDerWaalsContact O-N 3.11Å; D147-M149 WeakPolarHBondContact OD1-CA 3.49Å; D147-M149 VanDerWaalsContact OD1-CB 3.24Å; D147-M149 WeakPolarHBondContact OD1-CB 2.95Å; D147-M149 WeakPolarHBondContact OD1-CG 2.78Å; D147-M149 PolarHBondContact OD1-N 2.62Å; M149-T163 HydrophobicContact CG-CG2 3.29Å; M149-T163 WeakPolarHBondContact CG-OG1 3.29Å; M149-T163 HydrophobicContact SD-CG2 3.82Å; M149-F167 HydrophobicContact CE-CZ 4.17Å; M149-F167 HydrophobicContact SD-CE2 4.42Å; M149-F167 HydrophobicContact SD-CZ 4.42Å
150	T	86.5	Confident	86.5	Confident	9 Å²	9	24.9 Å²	24.9	6%	0.055	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-82.8	170.6	170.5	65.5	0	0	0	0	111.3	F139 Q141 M144 D147 L148	F139-T150 HydrophobicContact CB-CG2 4.32Å; Q141-T150 VanDerWaalsContact NE2-CB 3.26Å; Q141-T150 PolarHBondContact NE2-OG1 3.1Å; M144-T150 HydrophobicContact CB-CG2 3.58Å; D147-T150 HydrophobicContact CB-CG2 4.15Å; D147-T150 WeakPolarHBondContact O-CB 3.04Å; D147-T150 WeakPolarHBondContact O-CG2 3.46Å; D147-T150 PolarHBondContact O-N 3.02Å; D147-T150 PolarHBondContact O-OG1 3.28Å; L148-T150 VanDerWaalsContact C-N 3.3Å; L148-T150 PolarHBondContact O-N 3.42Å
151	R	81.2	Confident	86.4	Confident	150 Å²	150	29.4 Å²	29.4	57%	0.566	13%	0.13	S	C	*	.	S	Bend	trans	-70.3	-43.4	-173.2	-168.2	172.2	-170.5	147.2	4.4	113.7	D135 V138 Q141	D135-R151 IonicContact OD1-NH1 3.45Å; D135-R151 WeakPolarHBondContact OD2-CD 3.41Å; D135-R151 IonicContact OD2-NH1 3.05Å; D135-R151 PolarHBondContact OD2-NH1 3.39Å; V138-R151 HydrophobicContact CG2-CB 3.81Å; V138-R151 HydrophobicContact CG2-CG 4.39Å; Q141-R151 VanDerWaalsContact OE1-CB 3.26Å
152	F	78.6	Confident	86.5	Confident	85 Å²	85	29.5 Å²	29.5	37%	0.373	13%	0.13	S	C	.	.	S	Bend	trans	-110.6	112.5	-175.9	-66.3	-82.4	0	0	0	110.8	Q141 L154 F269	Q141-F152 PolarHBondContact NE2-O 3.2Å; F152-L154 PolarHBondContact O-N 3.4Å; F152-F269 HydrophobicContact CD2-CB 3.79Å; F152-F269 AromaticContact CD2-CD1 3.44Å; F152-F269 HydrophobicContact CD2-CD1 3.44Å; F152-F269 VanDerWaalsContact CD2-CD1 3.44Å; F152-F269 AromaticContact CD2-CD2 3.84Å; F152-F269 HydrophobicContact CD2-CD2 3.84Å; F152-F269 AromaticContact CD2-CE1 3.85Å; F152-F269 HydrophobicContact CD2-CE1 3.85Å; F152-F269 HydrophobicContact CD2-CE2 4.19Å; F152-F269 AromaticContact CD2-CG 3.42Å; F152-F269 HydrophobicContact CD2-CG 3.42Å; F152-F269 VanDerWaalsContact CD2-CG 3.42Å; F152-F269 HydrophobicContact CD2-CZ 4.21Å; F152-F269 HydrophobicContact CE2-CB 3.68Å; F152-F269 AromaticContact CE2-CD1 3.24Å; F152-F269 HydrophobicContact CE2-CD1 3.24Å; F152-F269 HydrophobicContact CE2-CD2 4.41Å; F152-F269 AromaticContact CE2-CE1 3.9Å; F152-F269 HydrophobicContact CE2-CE1 3.9Å; F152-F269 AromaticContact CE2-CG 3.54Å; F152-F269 HydrophobicContact CE2-CG 3.54Å; F152-F269 HydrophobicContact CG-CD1 4.29Å; F152-F269 HydrophobicContact CG-CE1 4.26Å; F152-F269 HydrophobicContact CG-CG 4.45Å; F152-F269 HydrophobicContact CG-CZ 4.39Å; F152-F269 AromaticContact CZ-CD1 3.96Å; F152-F269 HydrophobicContact CZ-CD1 3.96Å; F152-F269 HydrophobicContact CZ-CE1 4.33Å
153	Q	72.1	Confident	86.2	Confident	101 Å²	101	29.5 Å²	29.5	47%	0.472	13%	0.13	S	C	.	.			trans	-67.1	129.5	174.1	-71.7	179.5	-16.2	0	0	110
154	L	74.8	Confident	85.7	Confident	25 Å²	25	29.8 Å²	29.8	13%	0.131	13%	0.132	C	C	.	.			trans	-96.4	160.9	170.8	-60.5	177.9	0	0	0	109	N146 F152 S156 S157 F270 V277	N146-L154 HydrophobicContact CB-CD1 4.1Å; F152-L154 PolarHBondContact O-N 3.4Å; L154-S156 PolarHBondContact O-N 3.16Å; L154-S157 PolarHBondContact N-OG 3.1Å; L154-S157 WeakPolarHBondContact O-CB 3.49Å; L154-S157 PolarHBondContact O-N 2.8Å; L154-S157 PolarHBondContact O-OG 2.88Å; L154-F270 HydrophobicContact CD1-CZ 4.46Å; L154-V277 HydrophobicContact CD2-CG1 3.9Å
155	E	73.4	Confident	85.4	Confident	31 Å²	31	29.8 Å²	29.8	15%	0.145	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-36.5	173.2	-170.6	176.4	-168.2	0	0	111.3	S157 S280 S286 S287 L288 R291	E155-S157 PolarHBondContact O-N 3.26Å; E155-S280 WeakPolarHBondContact OE2-CA 3.39Å; E155-S286 VanDerWaalsContact OE1-CB 3.27Å; E155-S286 WeakPolarHBondContact OE1-CB 3.31Å; E155-S286 PolarHBondContact OE1-OG 3.2Å; E155-S287 PolarHBondContact OE2-N 3.44Å; E155-L288 HydrophobicContact CG-CD1 3.82Å; E155-L288 HydrophobicContact CG-CG 4.3Å; E155-R291 IonicContact OE1-CZ 3.36Å; E155-R291 IonicContact OE1-NH1 3.47Å; E155-R291 PolarHBondContact OE1-NH1 2.91Å
156	S	79.5	Confident	85.1	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	18.1	175.3	57.9	0	0	0	0	114.2	N146 L154 R158 E228	N146-S156 WeakPolarHBondContact CB-O 2.93Å; N146-S156 PolarHBondContact ND2-O 3.31Å; L154-S156 PolarHBondContact O-N 3.16Å; S156-R158 WeakPolarHBondContact O-CG 3.29Å; S156-R158 PolarHBondContact O-N 3Å; S156-E228 WeakPolarHBondContact CB-OE2 3.45Å
157	S	83.9	Confident	84.7	Confident	26 Å²	26	29.9 Å²	29.9	18%	0.182	13%	0.132	C	C	.	.			trans	-58.2	138.3	-177.2	-64.2	0	0	0	0	111.7	N146 L154 E155	N146-S157 CarbonylContact O-C 3.5Å; N146-S157 WeakPolarHBondContact O-CA 3.4Å; L154-S157 PolarHBondContact N-OG 3.1Å; L154-S157 WeakPolarHBondContact O-CB 3.49Å; L154-S157 PolarHBondContact O-N 2.8Å; L154-S157 PolarHBondContact O-OG 2.88Å; E155-S157 PolarHBondContact O-N 3.26Å
158	R	84.2	Confident	84.3	Confident	47 Å²	47	32.4 Å²	32.4	18%	0.177	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-132.5	147.5	-177.2	-60.7	-60.2	171.8	-126.1	17.1	111.7	N146 D147 L148 S156 D181 F183 E228	N146-R158 PolarHBondContact O-N 3.2Å; D147-R158 CarbonylContact C-O 3.51Å; D147-R158 WeakPolarHBondContact CA-O 3.43Å; L148-R158 PolarHBondContact N-O 3.08Å; S156-R158 WeakPolarHBondContact O-CG 3.29Å; S156-R158 PolarHBondContact O-N 3Å; R158-D181 VanDerWaalsContact CA-OD2 3.32Å; R158-D181 WeakPolarHBondContact CA-OD2 3.44Å; R158-D181 HydrophobicContact CB-CB 3.86Å; R158-D181 HydrophobicContact CG-CB 4.26Å; R158-F183 HydrophobicContact CB-CB 4.38Å; R158-F183 HydrophobicContact CB-CD2 4.04Å; R158-E228 IonicContact CZ-OE1 2.91Å; R158-E228 IonicContact CZ-OE2 3.82Å; R158-E228 IonicContact NE-OE1 2.58Å; R158-E228 IonicContact NE-OE2 3.1Å; R158-E228 PolarHBondContact NE-OE2 3.32Å; R158-E228 IonicContact NH2-OE1 3.99Å; R158-E228 PolarHBondContact NH2-OE1 3.44Å; R158-E228 IonicContact NH2-OE2 3.99Å; R158-E228 PolarHBondContact NH2-OE2 3.41Å
159	V	86.3	Confident	84.2	Confident	17 Å²	17	32.1 Å²	32.1	10%	0.103	14%	0.142	C	C	.	.			trans	-87.9	99.9	167.5	-177.7	0	0	0	0	108.7	I52 L148 T163 L164 D181	I52-V159 HydrophobicContact CD1-CG1 3.99Å; I52-V159 HydrophobicContact CD1-CG2 3.97Å; L148-V159 HydrophobicContact CB-CG2 4.46Å; L148-V159 HydrophobicContact CD2-CG2 3.81Å; V159-T163 HydrophobicContact CG1-CG2 4.4Å; V159-L164 HydrophobicContact CG1-CD2 3.7Å; V159-L164 HydrophobicContact CG1-CG 3.92Å; V159-D181 PolarHBondContact N-OD2 3.28Å; V159-D181 PolarHBondContact O-N 3.34Å
160	S	90.3	Very high	83.9	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.141	C	C	.	.			trans	-74.9	158.4	177.5	73	0	0	0	0	112.8	D147 I162 T163 L164	D147-S160 WeakPolarHBondContact OD2-CB 3Å; D147-S160 PolarHBondContact OD2-N 3.36Å; D147-S160 PolarHBondContact OD2-OG 3.03Å; S160-I162 PolarHBondContact O-N 2.89Å; S160-I162 WeakPolarHBondContact OG-CB 3.06Å; S160-I162 PolarHBondContact OG-N 2.89Å; S160-T163 WeakPolarHBondContact O-CB 3.33Å; S160-T163 PolarHBondContact O-N 2.84Å; S160-T163 VanDerWaalsContact O-N 3.12Å; S160-T163 PolarHBondContact OG-N 2.91Å; S160-T163 PolarHBondContact OG-OG1 3.47Å; S160-L164 PolarHBondContact O-N 3.31Å
161	R	93.6	Very high	83.4	Confident	99 Å²	99	36 Å²	36	37%	0.374	16%	0.163	S	C	.	.	H	α-helix	trans	-58.3	-30.7	167.5	-62.9	-178.3	65.2	96.9	2.6	112.6	E119 L164 A165 Y177 A180	E119-R161 IonicContact OE1-NH2 2.89Å; E119-R161 WeakPolarHBondContact OE2-CB 3.29Å; E119-R161 IonicContact OE2-CZ 2.91Å; E119-R161 IonicContact OE2-NE 3.58Å; E119-R161 PolarHBondContact OE2-NE 3.26Å; E119-R161 IonicContact OE2-NH2 2.82Å; R161-L164 PolarHBondContact O-N 3.14Å; R161-A165 VanDerWaalsContact O-CB 3.31Å; R161-A165 WeakPolarHBondContact O-CB 3.16Å; R161-A165 PolarHBondContact O-N 2.89Å; R161-Y177 HydrophobicContact CB-CD1 4.2Å; R161-Y177 HydrophobicContact CB-CE1 4.46Å; R161-Y177 HydrophobicContact CG-CD1 4.33Å; R161-A180 HydrophobicContact CG-CB 3.5Å
162	I	94.5	Very high	82.8	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-62.8	-45.8	175	-57.5	170	0	0	0	110	M116 E119 A120 H123 F124 I132 M144 S160 A165 Y166	M116-I162 HydrophobicContact CG-CG2 3.66Å; E119-I162 HydrophobicContact CB-CG1 4.26Å; A120-I162 HydrophobicContact CB-CD1 4.16Å; A120-I162 HydrophobicContact CB-CG1 4.31Å; A120-I162 HydrophobicContact CB-CG2 4.42Å; H123-I162 HydrophobicContact CB-CD1 3.99Å; H123-I162 HydrophobicContact CB-CG1 4.45Å; F124-I162 HydrophobicContact CE2-CD1 3.92Å; F124-I162 HydrophobicContact CZ-CD1 4.25Å; I132-I162 HydrophobicContact CD1-CG2 4.18Å; I132-I162 HydrophobicContact CG1-CG2 4.04Å; M144-I162 HydrophobicContact CE-CB 4.05Å; M144-I162 HydrophobicContact CE-CD1 3.88Å; M144-I162 HydrophobicContact CE-CG2 4.05Å; M144-I162 HydrophobicContact SD-CD1 3.98Å; S160-I162 PolarHBondContact O-N 2.89Å; S160-I162 WeakPolarHBondContact OG-CB 3.06Å; S160-I162 PolarHBondContact OG-N 2.89Å; I162-A165 PolarHBondContact O-N 3.43Å; I162-Y166 PolarHBondContact O-N 3.33Å
163	T	89.6	Confident	82.4	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.2	-38.8	175.8	-75.8	0	0	0	0	112.4	D147 M149 V159 S160 Y166 F167	D147-T163 VanDerWaalsContact CG-OG1 3.23Å; D147-T163 PolarHBondContact OD1-OG1 3.12Å; D147-T163 PolarHBondContact OD2-OG1 3.04Å; M149-T163 HydrophobicContact CG-CG2 3.29Å; M149-T163 WeakPolarHBondContact CG-OG1 3.29Å; M149-T163 HydrophobicContact SD-CG2 3.82Å; V159-T163 HydrophobicContact CG1-CG2 4.4Å; S160-T163 WeakPolarHBondContact O-CB 3.33Å; S160-T163 PolarHBondContact O-N 2.84Å; S160-T163 VanDerWaalsContact O-N 3.12Å; S160-T163 PolarHBondContact OG-N 2.91Å; S160-T163 PolarHBondContact OG-OG1 3.47Å; T163-Y166 WeakPolarHBondContact O-CB 3.32Å; T163-Y166 PolarHBondContact O-N 3.4Å; T163-F167 HydrophobicContact CG2-CD2 4.23Å; T163-F167 HydrophobicContact CG2-CE2 3.84Å; T163-F167 WeakPolarHBondContact O-CD2 3.08Å; T163-F167 PolarHBondContact O-N 2.89Å
164	L	86.7	Confident	82.3	Confident	10 Å²	10	31.2 Å²	31.2	5%	0.052	15%	0.148	C	C	.	.	H	α-helix	trans	-64.6	-45.1	173.7	-71.7	-170.7	0	0	0	111.7	V159 S160 R161 Y166 F167 E168 V175 Y177 A180	V159-L164 HydrophobicContact CG1-CD2 3.7Å; V159-L164 HydrophobicContact CG1-CG 3.92Å; S160-L164 PolarHBondContact O-N 3.31Å; R161-L164 PolarHBondContact O-N 3.14Å; L164-Y166 VanDerWaalsContact C-N 3.29Å; L164-Y166 PolarHBondContact O-N 2.98Å; L164-F167 WeakPolarHBondContact O-CB 3.21Å; L164-F167 PolarHBondContact O-N 2.81Å; L164-E168 PolarHBondContact O-N 3.03Å; L164-V175 HydrophobicContact CB-CG1 3.56Å; L164-V175 HydrophobicContact CD1-CG1 4.26Å; L164-V175 HydrophobicContact CD2-CG1 4.23Å; L164-V175 HydrophobicContact CG-CG1 4.22Å; L164-Y177 HydrophobicContact CB-CD1 4.28Å; L164-Y177 HydrophobicContact CB-CE1 4.17Å; L164-A180 HydrophobicContact CD1-CB 3.76Å
165	A	90.4	Very high	82.2	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.8	-33.5	176.8	0	0	0	0	0	113.3	K115 M116 E119 R161 I162 F167 E168 D169 Y177	K115-A165 HydrophobicContact CB-CB 4.12Å; M116-A165 HydrophobicContact CB-CB 4.39Å; E119-A165 HydrophobicContact CB-CB 4.3Å; E119-A165 HydrophobicContact CG-CB 3.72Å; R161-A165 VanDerWaalsContact O-CB 3.31Å; R161-A165 WeakPolarHBondContact O-CB 3.16Å; R161-A165 PolarHBondContact O-N 2.89Å; I162-A165 PolarHBondContact O-N 3.43Å; A165-F167 VanDerWaalsContact C-N 3.33Å; A165-F167 PolarHBondContact O-N 3.39Å; A165-E168 PolarHBondContact O-N 2.69Å; A165-D169 WeakPolarHBondContact O-CB 3.27Å; A165-D169 PolarHBondContact O-N 2.91Å; A165-Y177 VanDerWaalsContact CA-OH 3.22Å; A165-Y177 WeakPolarHBondContact CA-OH 3.32Å; A165-Y177 HydrophobicContact CB-CE1 4.1Å; A165-Y177 VanDerWaalsContact CB-OH 3.25Å; A165-Y177 WeakPolarHBondContact CB-OH 3.37Å
166	Y	87.4	Confident	82.5	Confident	1 Å²	1	34.2 Å²	34.2	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-54.4	-50.3	168	169	-89.7	0	0	0	111.6	G71 F72 Y77 L111 L113 M116 F139 I162 T163 L164 E168 D169 I170	G71-Y166 PolarHBondContact O-OH 3.21Å; F72-Y166 HydrophobicContact CB-CE1 4.2Å; F72-Y166 AromaticContact CD2-CD1 3.74Å; F72-Y166 HydrophobicContact CD2-CD1 3.74Å; F72-Y166 HydrophobicContact CD2-CD2 4.44Å; F72-Y166 AromaticContact CD2-CE1 3.34Å; F72-Y166 HydrophobicContact CD2-CE1 3.34Å; F72-Y166 HydrophobicContact CD2-CE2 4.07Å; F72-Y166 HydrophobicContact CD2-CG 4.28Å; F72-Y166 AromaticContact CD2-CZ 3.48Å; F72-Y166 VanDerWaalsContact CD2-CZ 3.48Å; F72-Y166 HydrophobicContact CE2-CD1 4.25Å; F72-Y166 HydrophobicContact CE2-CD2 4.34Å; F72-Y166 HydrophobicContact CE2-CE1 4.15Å; F72-Y166 HydrophobicContact CE2-CE2 4.2Å; F72-Y166 HydrophobicContact CE2-CG 4.36Å; F72-Y166 HydrophobicContact CG-CE1 4.23Å; Y77-Y166 HydrophobicContact CE1-CE2 4.2Å; Y77-Y166 WeakPolarHBondContact OH-CE2 3.46Å; Y77-Y166 PolarHBondContact OH-OH 3.08Å; L111-Y166 HydrophobicContact CD2-CD2 3.93Å; L111-Y166 HydrophobicContact CD2-CE2 3.84Å; L113-Y166 HydrophobicContact CD1-CD2 3.59Å; L113-Y166 HydrophobicContact CD1-CE2 3.85Å; M116-Y166 HydrophobicContact SD-CD2 3.99Å; F139-Y166 HydrophobicContact CZ-CD2 4.5Å; I162-Y166 PolarHBondContact O-N 3.33Å; T163-Y166 WeakPolarHBondContact O-CB 3.32Å; T163-Y166 PolarHBondContact O-N 3.4Å; L164-Y166 VanDerWaalsContact C-N 3.29Å; L164-Y166 PolarHBondContact O-N 2.98Å; Y166-E168 VanDerWaalsContact C-N 3.27Å; Y166-E168 PolarHBondContact O-N 2.81Å; Y166-D169 PolarHBondContact O-N 2.72Å; Y166-I170 HydrophobicContact CE1-CD1 3.77Å; Y166-I170 HydrophobicContact CE1-CG1 4.43Å; Y166-I170 HydrophobicContact CE1-CG2 4.09Å; Y166-I170 HydrophobicContact CE2-CG2 3.91Å; Y166-I170 WeakPolarHBondContact O-CG2 3.26Å; Y166-I170 PolarHBondContact O-N 3.14Å; Y166-I170 VanDerWaalsContact O-N 3.1Å
167	F	82.2	Confident	82.5	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.3	-32.9	-179	-76.8	-56.8	0	0	0	112.8	L50 I69 F72 M149 T163 L164 A165 I170 Y173 V175	L50-F167 HydrophobicContact CD2-CD2 4.2Å; I69-F167 HydrophobicContact CB-CZ 4.16Å; I69-F167 HydrophobicContact CD1-CZ 4.47Å; I69-F167 HydrophobicContact CG2-CE1 3.81Å; I69-F167 HydrophobicContact CG2-CE2 4.3Å; I69-F167 HydrophobicContact CG2-CZ 3.37Å; F72-F167 HydrophobicContact CB-CE1 4.47Å; F72-F167 HydrophobicContact CB-CZ 4.46Å; M149-F167 HydrophobicContact CE-CZ 4.17Å; M149-F167 HydrophobicContact SD-CE2 4.42Å; M149-F167 HydrophobicContact SD-CZ 4.42Å; T163-F167 HydrophobicContact CG2-CD2 4.23Å; T163-F167 HydrophobicContact CG2-CE2 3.84Å; T163-F167 WeakPolarHBondContact O-CD2 3.08Å; T163-F167 PolarHBondContact O-N 2.89Å; L164-F167 WeakPolarHBondContact O-CB 3.21Å; L164-F167 PolarHBondContact O-N 2.81Å; A165-F167 VanDerWaalsContact C-N 3.33Å; A165-F167 PolarHBondContact O-N 3.39Å; F167-I170 HydrophobicContact CD1-CD1 3.97Å; F167-I170 VanDerWaalsContact O-CG1 3.26Å; F167-I170 WeakPolarHBondContact O-CG1 3.44Å; F167-Y173 HydrophobicContact CB-CD2 3.86Å; F167-Y173 AromaticContact CD1-CD2 3.47Å; F167-Y173 HydrophobicContact CD1-CD2 3.47Å; F167-Y173 VanDerWaalsContact CD1-CD2 3.47Å; F167-Y173 AromaticContact CD1-CE2 3.5Å; F167-Y173 HydrophobicContact CD1-CE2 3.5Å; F167-Y173 VanDerWaalsContact CD1-CE2 3.5Å; F167-Y173 HydrophobicContact CE1-CD2 4.35Å; F167-Y173 AromaticContact CE1-CE2 3.95Å; F167-Y173 HydrophobicContact CE1-CE2 3.95Å; F167-Y173 AromaticContact CG-CD2 3.91Å; F167-Y173 HydrophobicContact CG-CD2 3.91Å; F167-Y173 HydrophobicContact CG-CE2 4.34Å; F167-V175 HydrophobicContact CB-CG2 4.01Å
168	E	84.6	Confident	82.1	Confident	53 Å²	53	37.8 Å²	37.8	25%	0.248	19%	0.185	C	C	.	.	H	α-helix	trans	-70.1	-44.2	174.6	-158.1	-172.8	170.2	0	0	111.7	K115 L164 A165 Y166 I170 N171 V175 Y177	K115-E168 HydrophobicContact CD-CB 4.27Å; K115-E168 HydrophobicContact CD-CG 4.02Å; K115-E168 VanDerWaalsContact CD-OE2 3.27Å; K115-E168 WeakPolarHBondContact CD-OE2 3.37Å; K115-E168 IonicContact NZ-OE1 2.72Å; K115-E168 PolarHBondContact NZ-OE1 2.98Å; K115-E168 IonicContact NZ-OE2 2.89Å; L164-E168 PolarHBondContact O-N 3.03Å; A165-E168 PolarHBondContact O-N 2.69Å; Y166-E168 VanDerWaalsContact C-N 3.27Å; Y166-E168 PolarHBondContact O-N 2.81Å; E168-I170 VanDerWaalsContact C-N 3.33Å; E168-I170 PolarHBondContact O-N 3.34Å; E168-N171 WeakPolarHBondContact O-CA 3.21Å; E168-N171 PolarHBondContact O-N 2.04Å; E168-V175 HydrophobicContact CB-CB 4.16Å; E168-V175 HydrophobicContact CB-CG2 3.87Å; E168-V175 HydrophobicContact CG-CB 4.37Å; E168-V175 HydrophobicContact CG-CG2 4.41Å; E168-Y177 WeakPolarHBondContact OE2-CE2 3.37Å; E168-Y177 VanDerWaalsContact OE2-CZ 3.26Å; E168-Y177 PolarHBondContact OE2-OH 2.94Å
169	D	83.9	Confident	81.7	Confident	11 Å²	11	42.2 Å²	42.2	6%	0.059	21%	0.209	C	C	.	.	H	α-helix	trans	-64.6	-34.9	179.6	-89.4	-35.8	0	0	0	112.8	L113 K115 M116 A165 Y166 N171	L113-D169 HydrophobicContact CB-CB 3.85Å; L113-D169 WeakPolarHBondContact CB-OD2 3.04Å; L113-D169 HydrophobicContact CD1-CB 3.91Å; L113-D169 HydrophobicContact CD2-CB 4.4Å; L113-D169 HydrophobicContact CG-CB 4.29Å; K115-D169 WeakPolarHBondContact CA-OD2 3.3Å; K115-D169 WeakPolarHBondContact CB-OD1 3.03Å; K115-D169 WeakPolarHBondContact CB-OD2 3.37Å; K115-D169 VanDerWaalsContact CG-OD1 3.32Å; K115-D169 WeakPolarHBondContact CG-OD1 3.38Å; K115-D169 PolarHBondContact N-OD1 2.82Å; K115-D169 PolarHBondContact N-OD2 2.94Å; M116-D169 PolarHBondContact N-OD2 2.75Å; A165-D169 WeakPolarHBondContact O-CB 3.27Å; A165-D169 PolarHBondContact O-N 2.91Å; Y166-D169 PolarHBondContact O-N 2.72Å; D169-N171 PolarHBondContact O-N 2.99Å
170	I	77.4	Confident	81.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-3.9	174.9	69.2	169.3	0	0	0	113.4	G71 V76 Y77 F82 L113 Y166 F167 E168 M172	G71-I170 WeakPolarHBondContact O-CD1 3.31Å; V76-I170 HydrophobicContact CG1-CD1 4.42Å; Y77-I170 HydrophobicContact CE1-CG2 3.97Å; F82-I170 HydrophobicContact CD2-CB 4.24Å; F82-I170 HydrophobicContact CD2-CG2 4.46Å; F82-I170 HydrophobicContact CE2-CB 4.14Å; F82-I170 HydrophobicContact CE2-CG2 4.07Å; L113-I170 HydrophobicContact CD1-CG2 4.4Å; Y166-I170 HydrophobicContact CE1-CD1 3.77Å; Y166-I170 HydrophobicContact CE1-CG1 4.43Å; Y166-I170 HydrophobicContact CE1-CG2 4.09Å; Y166-I170 HydrophobicContact CE2-CG2 3.91Å; Y166-I170 WeakPolarHBondContact O-CG2 3.26Å; Y166-I170 PolarHBondContact O-N 3.14Å; Y166-I170 VanDerWaalsContact O-N 3.1Å; F167-I170 HydrophobicContact CD1-CD1 3.97Å; F167-I170 VanDerWaalsContact O-CG1 3.26Å; F167-I170 WeakPolarHBondContact O-CG1 3.44Å; E168-I170 VanDerWaalsContact C-N 3.33Å; E168-I170 PolarHBondContact O-N 3.34Å; I170-M172 HydrophobicContact CD1-CB 3.94Å; I170-M172 HydrophobicContact CD1-CG 3.87Å; I170-M172 HydrophobicContact CD1-SD 3.78Å; I170-M172 HydrophobicContact CG1-CB 3.99Å; I170-M172 HydrophobicContact CG1-CG 4.01Å; I170-M172 PolarHBondContact O-N 2.88Å; I170-M172 VanDerWaalsContact O-N 3.16Å
171	N	76.5	Confident	80.9	Confident	99 Å²	99	46 Å²	46	53%	0.529	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	36.1	178.3	-161.8	32	0	0	0	113.5	T83 E168 D169	T83-N171 PolarHBondContact OG1-ND2 3.37Å; E168-N171 WeakPolarHBondContact O-CA 3.21Å; E168-N171 PolarHBondContact O-N 2.04Å; D169-N171 PolarHBondContact O-N 2.99Å
172	M	68.2	Low	80.4	Confident	76 Å²	76	44.6 Å²	44.6	37%	0.374	23%	0.232	S	C	.	.	S	Bend	trans	-100.1	-17.8	176	-72.7	-167.9	56.7	0	0	112.8	G71 V76 I170	G71-M172 VanDerWaalsContact CA-SD 3.58Å; V76-M172 HydrophobicContact CG1-SD 3.75Å; I170-M172 HydrophobicContact CD1-CB 3.94Å; I170-M172 HydrophobicContact CD1-CG 3.87Å; I170-M172 HydrophobicContact CD1-SD 3.78Å; I170-M172 HydrophobicContact CG1-CB 3.99Å; I170-M172 HydrophobicContact CG1-CG 4.01Å; I170-M172 PolarHBondContact O-N 2.88Å; I170-M172 VanDerWaalsContact O-N 3.16Å
173	Y	70.3	Confident	80.2	Confident	34 Å²	34	45 Å²	45	13%	0.133	23%	0.234	C	C	.	.	S	Bend	trans	-141.1	146.3	-173.1	-57.3	-72.5	0	0	0	110.5	L50 K70 F167	L50-Y173 HydrophobicContact CB-CD1 4.31Å; L50-Y173 HydrophobicContact CD1-CD1 3.28Å; L50-Y173 HydrophobicContact CD1-CD2 4.05Å; L50-Y173 HydrophobicContact CD1-CE1 3.34Å; L50-Y173 HydrophobicContact CD1-CE2 4.09Å; L50-Y173 HydrophobicContact CD1-CG 3.64Å; L50-Y173 HydrophobicContact CG-CD1 4.38Å; K70-Y173 VanDerWaalsContact CB-OH 3.27Å; K70-Y173 WeakPolarHBondContact CB-OH 3.34Å; K70-Y173 VanDerWaalsContact O-CE2 3.3Å; K70-Y173 WeakPolarHBondContact O-CE2 3.45Å; K70-Y173 PolarHBondContact O-OH 3.43Å; F167-Y173 HydrophobicContact CB-CD2 3.86Å; F167-Y173 AromaticContact CD1-CD2 3.47Å; F167-Y173 HydrophobicContact CD1-CD2 3.47Å; F167-Y173 VanDerWaalsContact CD1-CD2 3.47Å; F167-Y173 AromaticContact CD1-CE2 3.5Å; F167-Y173 HydrophobicContact CD1-CE2 3.5Å; F167-Y173 VanDerWaalsContact CD1-CE2 3.5Å; F167-Y173 HydrophobicContact CE1-CD2 4.35Å; F167-Y173 AromaticContact CE1-CE2 3.95Å; F167-Y173 HydrophobicContact CE1-CE2 3.95Å; F167-Y173 AromaticContact CG-CD2 3.91Å; F167-Y173 HydrophobicContact CG-CD2 3.91Å; F167-Y173 HydrophobicContact CG-CE2 4.34Å
174	E	70.6	Confident	80.3	Confident	124 Å²	124	48.6 Å²	48.6	58%	0.579	25%	0.249	S	C	*	.	B	Isolated β-bridge	trans	-86.3	126.5	160.9	-168.5	170.4	-167.8	0	0	106.8	N47	N47-E174 PolarHBondContact ND2-OE2 2.95Å
175	V	73.4	Confident	80.7	Confident	23 Å²	23	48.1 Å²	48.1	14%	0.139	25%	0.247	C	C	.	.			trans	-113.2	127.8	-166.8	171.3	0	0	0	0	108.9	L164 F167 E168 Y177	L164-V175 HydrophobicContact CB-CG1 3.56Å; L164-V175 HydrophobicContact CD1-CG1 4.26Å; L164-V175 HydrophobicContact CD2-CG1 4.23Å; L164-V175 HydrophobicContact CG-CG1 4.22Å; F167-V175 HydrophobicContact CB-CG2 4.01Å; E168-V175 HydrophobicContact CB-CB 4.16Å; E168-V175 HydrophobicContact CB-CG2 3.87Å; E168-V175 HydrophobicContact CG-CB 4.37Å; E168-V175 HydrophobicContact CG-CG2 4.41Å; V175-Y177 HydrophobicContact CG1-CD2 4.22Å; V175-Y177 HydrophobicContact CG1-CE2 4.1Å
176	D	80	Confident	81	Confident	97 Å²	97	48.2 Å²	48.2	52%	0.519	25%	0.248	S	C	.	.			trans	-103	107.5	171.3	-172.3	-4.6	0	0	0	109.3	S178 M179	D176-S178 PolarHBondContact O-N 3.41Å; D176-S178 WeakPolarHBondContact OD1-CB 3.24Å; D176-S178 PolarHBondContact OD1-N 2.84Å; D176-S178 PolarHBondContact OD1-OG 3.09Å; D176-S178 PolarHBondContact OD2-OG 3Å; D176-M179 HydrophobicContact CB-CG 4.23Å; D176-M179 PolarHBondContact O-N 3.33Å
177	Y	79	Confident	81.4	Confident	41 Å²	41	53.9 Å²	53.9	16%	0.161	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-70.2	-16.1	-179	-74.5	-88	0	0	0	113.4	E119 R161 L164 A165 E168 V175 M179 A180	E119-Y177 HydrophobicContact CG-CE1 4.17Å; R161-Y177 HydrophobicContact CB-CD1 4.2Å; R161-Y177 HydrophobicContact CB-CE1 4.46Å; R161-Y177 HydrophobicContact CG-CD1 4.33Å; L164-Y177 HydrophobicContact CB-CD1 4.28Å; L164-Y177 HydrophobicContact CB-CE1 4.17Å; A165-Y177 VanDerWaalsContact CA-OH 3.22Å; A165-Y177 WeakPolarHBondContact CA-OH 3.32Å; A165-Y177 HydrophobicContact CB-CE1 4.1Å; A165-Y177 VanDerWaalsContact CB-OH 3.25Å; A165-Y177 WeakPolarHBondContact CB-OH 3.37Å; E168-Y177 WeakPolarHBondContact OE2-CE2 3.37Å; E168-Y177 VanDerWaalsContact OE2-CZ 3.26Å; E168-Y177 PolarHBondContact OE2-OH 2.94Å; V175-Y177 HydrophobicContact CG1-CD2 4.22Å; V175-Y177 HydrophobicContact CG1-CE2 4.1Å; Y177-M179 PolarHBondContact O-N 2.94Å; Y177-A180 WeakPolarHBondContact O-CB 3.46Å; Y177-A180 PolarHBondContact O-N 3.18Å
178	S	74.5	Confident	81.9	Confident	60 Å²	60	56.1 Å²	56.1	42%	0.42	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-69.9	-15.4	175.6	78.2	0	0	0	0	112.5	D176 A180	D176-S178 PolarHBondContact O-N 3.41Å; D176-S178 WeakPolarHBondContact OD1-CB 3.24Å; D176-S178 PolarHBondContact OD1-N 2.84Å; D176-S178 PolarHBondContact OD1-OG 3.09Å; D176-S178 PolarHBondContact OD2-OG 3Å; S178-A180 VanDerWaalsContact C-N 3.35Å
179	M	77.1	Confident	82.4	Confident	139 Å²	139	55.2 Å²	55.2	69%	0.685	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-91	3.1	177	-61.3	-63.7	-59.7	0	0	112.9	D176 Y177	D176-M179 HydrophobicContact CB-CG 4.23Å; D176-M179 PolarHBondContact O-N 3.33Å; Y177-M179 PolarHBondContact O-N 2.94Å
180	A	78.6	Confident	83	Confident	25 Å²	25	55.4 Å²	55.4	21%	0.207	30%	0.298	C	S	.	.			trans	-66.4	139.4	174.5	0	0	0	0	0	110.4	R161 L164 Y177 S178	R161-A180 HydrophobicContact CG-CB 3.5Å; L164-A180 HydrophobicContact CD1-CB 3.76Å; Y177-A180 WeakPolarHBondContact O-CB 3.46Å; Y177-A180 PolarHBondContact O-N 3.18Å; S178-A180 VanDerWaalsContact C-N 3.35Å
181	D	81.3	Confident	84	Confident	71 Å²	71	56.9 Å²	56.9	38%	0.38	31%	0.307	S	S	.	.			trans	-69	158	169.7	-69.4	-40.7	0	0	0	110.4	R158 V159 F183	R158-D181 VanDerWaalsContact CA-OD2 3.32Å; R158-D181 WeakPolarHBondContact CA-OD2 3.44Å; R158-D181 HydrophobicContact CB-CB 3.86Å; R158-D181 HydrophobicContact CG-CB 4.26Å; V159-D181 PolarHBondContact N-OD2 3.28Å; V159-D181 PolarHBondContact O-N 3.34Å; D181-F183 PolarHBondContact O-N 3.15Å
182	D	82.9	Confident	85	Confident	70 Å²	70	54.4 Å²	54.4	37%	0.374	29%	0.294	S	S	.	.			trans	-70.8	71.8	169.6	-169.4	7.6	0	0	0	110.2	K184 K391	D182-K184 PolarHBondContact O-N 2.91Å; D182-K184 WeakPolarHBondContact OD2-CE 3.5Å; D182-K184 IonicContact OD2-NZ 3.79Å; D182-K391 IonicContact OD2-NZ 2.78Å; D182-K391 PolarHBondContact OD2-NZ 3.17Å
183	F	88.9	Confident	86.4	Confident	10 Å²	10	50.8 Å²	50.8	4%	0.044	28%	0.276	C	S	.	.			trans	-72	117.3	176.5	178.7	-113.7	0	0	0	109.4	H123 M144 N146 D147 R158 D181 W185	H123-F183 AromaticContact CD2-CE1 3.99Å; H123-F183 AromaticContact CE1-CD1 3.21Å; H123-F183 WeakPolarHBondContact CE1-CD1 3.4Å; H123-F183 AromaticContact CE1-CE1 3.6Å; H123-F183 PolarHBondContact CE1-O 2.85Å; H123-F183 AromaticContact ND1-CD1 3.91Å; H123-F183 AromaticContact NE2-CD1 3.45Å; H123-F183 WeakPolarHBondContact NE2-CD1 3.09Å; H123-F183 AromaticContact NE2-CE1 3.28Å; H123-F183 VanDerWaalsContact NE2-CE1 3.28Å; H123-F183 WeakPolarHBondContact NE2-CE1 3.23Å; M144-F183 HydrophobicContact CE-CE1 4.2Å; M144-F183 HydrophobicContact CE-CZ 4.22Å; M144-F183 WeakPolarHBondContact O-CE2 3.38Å; M144-F183 VanDerWaalsContact O-CZ 3.29Å; M144-F183 WeakPolarHBondContact O-CZ 3.14Å; N146-F183 VanDerWaalsContact OD1-CE2 3.3Å; N146-F183 WeakPolarHBondContact OD1-CE2 3.48Å; D147-F183 HydrophobicContact CB-CE2 3.83Å; D147-F183 HydrophobicContact CB-CZ 3.99Å; R158-F183 HydrophobicContact CB-CB 4.38Å; R158-F183 HydrophobicContact CB-CD2 4.04Å; D181-F183 PolarHBondContact O-N 3.15Å; F183-W185 HydrophobicContact CD2-CB 4.43Å; F183-W185 HydrophobicContact CE2-CB 3.69Å; F183-W185 HydrophobicContact CZ-CB 3.76Å; F183-W185 HydrophobicContact CZ-CG 4.39Å
184	K	92.7	Very high	87.7	Confident	76 Å²	76	49.4 Å²	49.4	33%	0.33	27%	0.271	S	S	.	.			trans	-113.1	-12.8	-175.9	-64.3	175.8	-172.3	175.6	0	114.1	D182 G186 K187	D182-K184 PolarHBondContact O-N 2.91Å; D182-K184 WeakPolarHBondContact OD2-CE 3.5Å; D182-K184 IonicContact OD2-NZ 3.79Å; K184-G186 PolarHBondContact O-N 2.97Å; K184-K187 VanDerWaalsContact O-CB 3.26Å; K184-K187 WeakPolarHBondContact O-CB 3.47Å; K184-K187 PolarHBondContact O-N 2.99Å
185	W	95.1	Very high	88.9	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	122.7	-177.9	176.5	-79	0	0	0	110.9	H123 R142 I143 G145 N146 F183 K187 F193 P214 Y227 F270 V275	H123-W185 PolarHBondContact NE2-O 3.48Å; R142-W185 PolarHBondContact O-NE1 3.49Å; I143-W185 PolarHBondContact O-NE1 2.93Å; G145-W185 VanDerWaalsContact CA-CD2 3.43Å; N146-W185 VanDerWaalsContact OD1-CB 3.28Å; N146-W185 WeakPolarHBondContact OD1-CB 3.31Å; F183-W185 HydrophobicContact CD2-CB 4.43Å; F183-W185 HydrophobicContact CE2-CB 3.69Å; F183-W185 HydrophobicContact CZ-CB 3.76Å; F183-W185 HydrophobicContact CZ-CG 4.39Å; W185-K187 PolarHBondContact O-N 3.16Å; W185-F193 AromaticContact NE1-CZ 3.65Å; W185-P214 HydrophobicContact CD2-CB 4.42Å; W185-P214 HydrophobicContact CD2-CG 4.26Å; W185-P214 HydrophobicContact CE3-CB 3.92Å; W185-P214 HydrophobicContact CE3-CG 4.25Å; W185-P214 HydrophobicContact CH2-CB 3.68Å; W185-P214 HydrophobicContact CH2-CG 3.73Å; W185-P214 HydrophobicContact CZ2-CB 4.21Å; W185-P214 HydrophobicContact CZ2-CG 3.76Å; W185-P214 HydrophobicContact CZ3-CB 3.52Å; W185-P214 HydrophobicContact CZ3-CG 4Å; W185-Y227 AromaticContact CE3-CD1 3.72Å; W185-Y227 HydrophobicContact CE3-CD1 3.72Å; W185-Y227 AromaticContact CE3-CD2 3.85Å; W185-Y227 HydrophobicContact CE3-CD2 3.85Å; W185-Y227 AromaticContact CE3-CE1 3.72Å; W185-Y227 HydrophobicContact CE3-CE1 3.72Å; W185-Y227 AromaticContact CE3-CE2 3.85Å; W185-Y227 HydrophobicContact CE3-CE2 3.85Å; W185-Y227 AromaticContact CE3-CG 3.78Å; W185-Y227 HydrophobicContact CE3-CG 3.78Å; W185-Y227 AromaticContact CE3-CZ 3.79Å; W185-Y227 HydrophobicContact CZ3-CD1 4.03Å; W185-Y227 AromaticContact CZ3-CE1 3.6Å; W185-Y227 HydrophobicContact CZ3-CE1 3.6Å; W185-Y227 HydrophobicContact CZ3-CE2 4.22Å; W185-Y227 HydrophobicContact CZ3-CG 4.5Å; W185-Y227 AromaticContact CZ3-CZ 3.71Å; W185-F270 HydrophobicContact CH2-CD1 4.49Å; W185-F270 AromaticContact CH2-CE1 3.84Å; W185-F270 HydrophobicContact CH2-CE1 3.84Å; W185-F270 HydrophobicContact CH2-CZ 4.36Å; W185-F270 HydrophobicContact CZ2-CD1 4.45Å; W185-F270 AromaticContact CZ2-CE1 3.95Å; W185-F270 HydrophobicContact CZ2-CE1 3.95Å; W185-V275 HydrophobicContact CH2-CB 4.48Å; W185-V275 HydrophobicContact CH2-CG1 3.46Å; W185-V275 VanDerWaalsContact CH2-CG1 3.46Å; W185-V275 HydrophobicContact CH2-CG2 4.15Å; W185-V275 HydrophobicContact CZ3-CG1 3.88Å
186	G	95.9	Very high	90.1	Very high	3 Å²	3	46.4 Å²	46.4	3%	0.031	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	-1.1	-178.2	0	0	0	0	0	115.3	F124 K184 G188 L189	F124-G186 WeakPolarHBondContact CD1-O 3.16Å; K184-G186 PolarHBondContact O-N 2.97Å; G186-G188 PolarHBondContact O-N 3.31Å; G186-L189 PolarHBondContact O-N 3.42Å
187	K	95.4	Very high	91	Very high	119 Å²	119	41.8 Å²	41.8	52%	0.517	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	122.9	-173.7	-168.1	174.1	-179.5	176.3	0	110.8	H123 K184 W185 L189	H123-K187 CarbonylContact O-C 3.53Å; H123-K187 VanDerWaalsContact O-CA 3.23Å; H123-K187 WeakPolarHBondContact O-CA 3.35Å; K184-K187 VanDerWaalsContact O-CB 3.26Å; K184-K187 WeakPolarHBondContact O-CB 3.47Å; K184-K187 PolarHBondContact O-N 2.99Å; W185-K187 PolarHBondContact O-N 3.16Å; K187-L189 PolarHBondContact O-N 2.92Å
188	G	94.1	Very high	91.9	Very high	47 Å²	47	39.9 Å²	39.9	49%	0.485	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	17.9	179.5	0	0	0	0	0	115.6	H123 G186 G190	H123-G188 PolarHBondContact O-N 2.8Å; G186-G188 PolarHBondContact O-N 3.31Å; G188-G190 VanDerWaalsContact C-N 3.3Å
189	L	95.4	Very high	93	Very high	34 Å²	34	37.8 Å²	37.8	18%	0.178	21%	0.207	C	C	.	.			trans	-83.8	-5	-179.7	-60	-172	0	0	0	113.9	G186 K187 F193 Y201	G186-L189 PolarHBondContact O-N 3.42Å; K187-L189 PolarHBondContact O-N 2.92Å; L189-F193 HydrophobicContact CB-CB 3.62Å; L189-F193 HydrophobicContact CB-CD1 4.24Å; L189-F193 HydrophobicContact CB-CD2 4.38Å; L189-F193 HydrophobicContact CB-CG 3.83Å; L189-F193 HydrophobicContact CD1-CD1 4.36Å; L189-F193 HydrophobicContact CD1-CD2 3.76Å; L189-F193 HydrophobicContact CD1-CE2 3.99Å; L189-F193 HydrophobicContact CD1-CG 3.97Å; L189-F193 HydrophobicContact CD1-CZ 4.4Å; L189-Y201 HydrophobicContact CB-CE2 4.34Å
190	G	96.3	Very high	94	Very high	16 Å²	16	32.9 Å²	32.9	17%	0.165	18%	0.183	C	C	.	.	H	α-helix	trans	79.4	179.2	173.1	0	0	0	0	0	114.6	F124 D125 G188 D192 F193	F124-G190 VanDerWaalsContact O-CA 3.29Å; F124-G190 WeakPolarHBondContact O-CA 3.43Å; F124-G190 PolarHBondContact O-N 2.96Å; D125-G190 WeakPolarHBondContact O-CA 3.23Å; G188-G190 VanDerWaalsContact C-N 3.3Å; G190-D192 PolarHBondContact O-N 2.65Å; G190-F193 PolarHBondContact O-N 2.94Å
191	C	97.9	Very high	94.9	Very high	30 Å²	30	31.9 Å²	31.9	20%	0.203	17%	0.173	C	C	.	.	H	α-helix	trans	-62.5	-28.9	179.6	-66.7	0	0	0	0	113.8	C126 F193 V194 L195	C126-C191 WeakPolarHBondContact CA-SG 3.34Å; C126-C191 HydrophobicContact CB-CB 3.98Å; C126-C191 WeakPolarHBondContact CB-SG 3.37Å; C126-C191 WeakPolarHBondContact SG-CA 3.27Å; C126-C191 WeakPolarHBondContact SG-CB 3.09Å; C126-C191 CovalentContact SG-SG 2.04Å; C126-C191 PolarHBondContact SG-SG 2.82Å; C191-F193 PolarHBondContact O-N 3.47Å; C191-V194 PolarHBondContact O-N 3.34Å; C191-L195 HydrophobicContact CB-CD1 4.24Å; C191-L195 WeakPolarHBondContact O-CB 3.49Å; C191-L195 PolarHBondContact O-N 2.87Å
192	D	96.8	Very high	95.7	Very high	47 Å²	47	28.6 Å²	28.6	25%	0.251	16%	0.156	S	C	.	.	H	α-helix	trans	-59.1	-36.9	177.5	-67.6	-26.1	0	0	0	111.6	G190 K196 Y201 R208	G190-D192 PolarHBondContact O-N 2.65Å; D192-K196 HydrophobicContact CB-CD 4.05Å; D192-K196 VanDerWaalsContact O-CB 3.29Å; D192-K196 WeakPolarHBondContact O-CB 3.14Å; D192-K196 PolarHBondContact O-N 3.49Å; D192-K196 WeakPolarHBondContact OD1-CD 3.38Å; D192-K196 WeakPolarHBondContact OD1-CE 3.1Å; D192-K196 IonicContact OD1-NZ 3.41Å; D192-K196 PolarHBondContact OD1-NZ 3.49Å; D192-Y201 HydrophobicContact CB-CD2 4.14Å; D192-R208 IonicContact OD2-NH2 3.65Å; D192-R208 PolarHBondContact OD2-NH2 2.95Å
193	F	97.8	Very high	96.3	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-69.3	-46.1	179	176.1	-106.4	0	0	0	112.4	F124 R142 W185 L189 G190 C191 Y201 P214 Y215	F124-F193 HydrophobicContact CD1-CD1 4.21Å; F124-F193 HydrophobicContact CD1-CE1 4.32Å; F124-F193 HydrophobicContact CE1-CD1 4.42Å; F124-F193 HydrophobicContact CE1-CE1 4.08Å; R142-F193 PolarHBondContact NH1-O 3.36Å; W185-F193 AromaticContact NE1-CZ 3.65Å; L189-F193 HydrophobicContact CB-CB 3.62Å; L189-F193 HydrophobicContact CB-CD1 4.24Å; L189-F193 HydrophobicContact CB-CD2 4.38Å; L189-F193 HydrophobicContact CB-CG 3.83Å; L189-F193 HydrophobicContact CD1-CD1 4.36Å; L189-F193 HydrophobicContact CD1-CD2 3.76Å; L189-F193 HydrophobicContact CD1-CE2 3.99Å; L189-F193 HydrophobicContact CD1-CG 3.97Å; L189-F193 HydrophobicContact CD1-CZ 4.4Å; G190-F193 PolarHBondContact O-N 2.94Å; C191-F193 PolarHBondContact O-N 3.47Å; F193-Y201 HydrophobicContact CB-CD2 3.97Å; F193-Y201 HydrophobicContact CB-CE2 3.8Å; F193-Y201 HydrophobicContact CD2-CD2 4.5Å; F193-Y201 HydrophobicContact CD2-CE2 4.25Å; F193-P214 HydrophobicContact CE2-CG 3.93Å; F193-P214 HydrophobicContact CZ-CG 4.26Å; F193-Y215 HydrophobicContact CD2-CE2 4.04Å; F193-Y215 AromaticContact CE2-CE2 3.95Å; F193-Y215 HydrophobicContact CE2-CE2 3.95Å; F193-Y215 AromaticContact CE2-CZ 3.85Å; F193-Y215 WeakPolarHBondContact CE2-OH 3.12Å
194	V	97.4	Very high	96.7	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.024	17%	0.168	C	C	.	.	H	α-helix	trans	-83.8	-34.5	-173.8	-75.3	0	0	0	0	113.6	F124 C126 L129 R142 I143 C191	F124-V194 HydrophobicContact CB-CG1 4.11Å; F124-V194 HydrophobicContact CD1-CG1 3.69Å; F124-V194 HydrophobicContact CD2-CG1 3.87Å; F124-V194 HydrophobicContact CE1-CG1 4.06Å; F124-V194 HydrophobicContact CE2-CG1 4.21Å; F124-V194 HydrophobicContact CG-CG1 3.61Å; F124-V194 HydrophobicContact CZ-CG1 4.31Å; C126-V194 HydrophobicContact CB-CG2 3.98Å; L129-V194 HydrophobicContact CD1-CB 4.29Å; L129-V194 HydrophobicContact CD1-CG2 4.18Å; R142-V194 PolarHBondContact NH2-O 3.1Å; I143-V194 HydrophobicContact CB-CG1 4.32Å; I143-V194 HydrophobicContact CG2-CB 4.48Å; I143-V194 HydrophobicContact CG2-CG1 4.2Å; C191-V194 PolarHBondContact O-N 3.34Å
195	L	97.3	Very high	96.8	Very high	40 Å²	40	30.6 Å²	30.6	21%	0.209	16%	0.16	C	C	.	.	H	α-helix	trans	-103.1	-19.6	-171.6	-60	-178.4	0	0	0	114.6	L95 E128 L129 C191	L95-L195 HydrophobicContact CD2-CB 4.47Å; L95-L195 HydrophobicContact CD2-CD2 4.14Å; E128-L195 HydrophobicContact CB-CD1 4.35Å; L129-L195 HydrophobicContact CD1-CD2 4.22Å; C191-L195 HydrophobicContact CB-CD1 4.24Å; C191-L195 WeakPolarHBondContact O-CB 3.49Å; C191-L195 PolarHBondContact O-N 2.87Å
196	K	97.9	Very high	96.8	Very high	45 Å²	45	33.2 Å²	33.2	20%	0.196	17%	0.172	C	C	.	.	S	Bend	trans	-102.2	170.6	177.6	-58.6	173.8	165.3	169.2	0	111.8	W97 R142 D192 E200 E204	W97-K196 WeakPolarHBondContact CZ3-O 3.48Å; R142-K196 PolarHBondContact NH1-O 3Å; D192-K196 HydrophobicContact CB-CD 4.05Å; D192-K196 VanDerWaalsContact O-CB 3.29Å; D192-K196 WeakPolarHBondContact O-CB 3.14Å; D192-K196 PolarHBondContact O-N 3.49Å; D192-K196 WeakPolarHBondContact OD1-CD 3.38Å; D192-K196 WeakPolarHBondContact OD1-CE 3.1Å; D192-K196 IonicContact OD1-NZ 3.41Å; D192-K196 PolarHBondContact OD1-NZ 3.49Å; K196-E200 HydrophobicContact CB-CB 4.13Å; K196-E200 HydrophobicContact CB-CG 4.44Å; K196-E200 HydrophobicContact CD-CB 4.42Å; K196-E200 HydrophobicContact CD-CG 3.91Å; K196-E200 WeakPolarHBondContact CD-OE1 3.21Å; K196-E200 VanDerWaalsContact CE-OE1 3.32Å; K196-E200 WeakPolarHBondContact CE-OE1 3.25Å; K196-E200 IonicContact NZ-OE1 3.89Å; K196-E204 VanDerWaalsContact NZ-CD 3.34Å; K196-E204 IonicContact NZ-OE1 3.8Å; K196-E204 PolarHBondContact NZ-OE1 3.31Å; K196-E204 IonicContact NZ-OE2 3.53Å; K196-E204 PolarHBondContact NZ-OE2 3.03Å
197	S	97.9	Very high	96.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.204	C	C	.	.			trans	-68.4	152.2	170.7	77	0	0	0	0	110.8	W97 L98 Y199 E200 Y201	W97-S197 VanDerWaalsContact CE2-CB 3.4Å; L98-S197 VanDerWaalsContact O-CB 3.27Å; L98-S197 WeakPolarHBondContact O-CB 3.39Å; L98-S197 PolarHBondContact O-OG 2.9Å; S197-Y199 PolarHBondContact O-N 3.17Å; S197-E200 PolarHBondContact O-N 2.54Å; S197-E200 VanDerWaalsContact O-N 3.13Å; S197-E200 PolarHBondContact OG-N 2.93Å; S197-E200 VanDerWaalsContact OG-N 3.13Å; S197-Y201 PolarHBondContact O-N 3.45Å
198	C	97.9	Very high	96.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.7	-29	173.5	52.3	0	0	0	0	112.4	I202 Y215 Y249 C273	C198-I202 VanDerWaalsContact O-CB 3.3Å; C198-I202 WeakPolarHBondContact O-CB 3.33Å; C198-I202 VanDerWaalsContact O-CD1 3.26Å; C198-I202 WeakPolarHBondContact O-CD1 3.46Å; C198-I202 WeakPolarHBondContact O-CG1 3.05Å; C198-I202 PolarHBondContact O-N 3.36Å; C198-Y215 HydrophobicContact CB-CD1 4.11Å; C198-Y215 HydrophobicContact CB-CD2 4.1Å; C198-Y215 HydrophobicContact CB-CE1 3.63Å; C198-Y215 HydrophobicContact CB-CE2 3.58Å; C198-Y215 HydrophobicContact CB-CG 4.34Å; C198-Y249 VanDerWaalsContact SG-CD2 3.56Å; C198-Y249 WeakPolarHBondContact SG-CE2 2.94Å; C198-C273 HydrophobicContact CB-CB 3.65Å; C198-C273 WeakPolarHBondContact CB-SG 3.38Å; C198-C273 WeakPolarHBondContact SG-CA 3.24Å; C198-C273 WeakPolarHBondContact SG-CB 3.34Å; C198-C273 CovalentContact SG-SG 2.03Å; C198-C273 PolarHBondContact SG-SG 3.06Å
199	Y	98	Very high	96.7	Very high	16 Å²	16	39.8 Å²	39.8	6%	0.063	22%	0.216	C	C	.	.	H	α-helix	trans	-62.5	-47.3	173.4	174.1	-124.2	0	0	0	112.2	L98 T100 S197 I202 K203 Y249 D251	L98-Y199 HydrophobicContact CB-CD1 4.44Å; L98-Y199 HydrophobicContact CD2-CD1 4.12Å; L98-Y199 HydrophobicContact CD2-CE1 4Å; L98-Y199 HydrophobicContact CG-CD1 3.86Å; L98-Y199 HydrophobicContact CG-CE1 3.9Å; T100-Y199 HydrophobicContact CG2-CE1 4.29Å; T100-Y199 HydrophobicContact CG2-CE2 4.05Å; S197-Y199 PolarHBondContact O-N 3.17Å; Y199-I202 PolarHBondContact O-N 2.83Å; Y199-K203 VanDerWaalsContact O-CB 3.24Å; Y199-K203 WeakPolarHBondContact O-CB 3.21Å; Y199-K203 PolarHBondContact O-N 2.68Å; Y199-Y249 WeakPolarHBondContact CD2-O 3.25Å; Y199-Y249 WeakPolarHBondContact CE2-O 3.22Å; Y199-D251 HydrophobicContact CE2-CB 4.22Å; Y199-D251 PolarHBondContact OH-OD2 3.32Å
200	E	98	Very high	96.5	Very high	37 Å²	37	42 Å²	42	17%	0.173	23%	0.226	C	C	.	.	H	α-helix	trans	-63.1	-46.7	178.8	-161.8	170.3	167.3	0	0	111.1	L98 K196 S197 I202 K203 E204	L98-E200 HydrophobicContact CB-CB 4.11Å; L98-E200 HydrophobicContact CB-CG 4.31Å; L98-E200 WeakPolarHBondContact CB-OE2 3.31Å; L98-E200 HydrophobicContact CD2-CB 4.18Å; L98-E200 HydrophobicContact CD2-CG 3.93Å; K196-E200 HydrophobicContact CB-CB 4.13Å; K196-E200 HydrophobicContact CB-CG 4.44Å; K196-E200 HydrophobicContact CD-CB 4.42Å; K196-E200 HydrophobicContact CD-CG 3.91Å; K196-E200 WeakPolarHBondContact CD-OE1 3.21Å; K196-E200 VanDerWaalsContact CE-OE1 3.32Å; K196-E200 WeakPolarHBondContact CE-OE1 3.25Å; K196-E200 IonicContact NZ-OE1 3.89Å; S197-E200 PolarHBondContact O-N 2.54Å; S197-E200 VanDerWaalsContact O-N 3.13Å; S197-E200 PolarHBondContact OG-N 2.93Å; S197-E200 VanDerWaalsContact OG-N 3.13Å; E200-I202 PolarHBondContact O-N 3.49Å; E200-K203 PolarHBondContact O-N 3.41Å; E200-E204 WeakPolarHBondContact O-CB 3.22Å; E200-E204 WeakPolarHBondContact O-CG 3.22Å; E200-E204 PolarHBondContact O-N 2.86Å
201	Y	97.9	Very high	96.3	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-56.6	-50.6	175.2	175.8	-89.6	0	0	0	112.3	L189 D192 F193 S197 K203 E204 R205 Q213 Y215	L189-Y201 HydrophobicContact CB-CE2 4.34Å; D192-Y201 HydrophobicContact CB-CD2 4.14Å; F193-Y201 HydrophobicContact CB-CD2 3.97Å; F193-Y201 HydrophobicContact CB-CE2 3.8Å; F193-Y201 HydrophobicContact CD2-CD2 4.5Å; F193-Y201 HydrophobicContact CD2-CE2 4.25Å; S197-Y201 PolarHBondContact O-N 3.45Å; Y201-K203 VanDerWaalsContact C-N 3.34Å; Y201-K203 PolarHBondContact O-N 3.19Å; Y201-E204 PolarHBondContact O-N 3.28Å; Y201-R205 HydrophobicContact CE1-CG 4.47Å; Y201-R205 HydrophobicContact CE2-CG 4.39Å; Y201-R205 WeakPolarHBondContact O-CG 3.3Å; Y201-R205 PolarHBondContact O-N 3.39Å; Y201-R205 WeakPolarHBondContact OH-CD 3.22Å; Y201-R205 PolarHBondContact OH-NH1 3.3Å; Y201-Q213 PolarHBondContact OH-O 3.36Å; Y201-Y215 AromaticContact CD1-CD2 3.5Å; Y201-Y215 HydrophobicContact CD1-CD2 3.5Å; Y201-Y215 VanDerWaalsContact CD1-CD2 3.5Å; Y201-Y215 AromaticContact CD1-CE2 3.58Å; Y201-Y215 HydrophobicContact CD1-CE2 3.58Å; Y201-Y215 AromaticContact CE1-CD2 3.78Å; Y201-Y215 HydrophobicContact CE1-CD2 3.78Å; Y201-Y215 HydrophobicContact CE1-CE2 4.01Å; Y201-Y215 HydrophobicContact CG-CE2 4.21Å
202	I	97.5	Very high	96.2	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-59.5	-46.9	178.9	-70.9	162.4	0	0	0	110	C198 Y199 E200 R205 K206 I212 Y215 F254 P274	C198-I202 VanDerWaalsContact O-CB 3.3Å; C198-I202 WeakPolarHBondContact O-CB 3.33Å; C198-I202 VanDerWaalsContact O-CD1 3.26Å; C198-I202 WeakPolarHBondContact O-CD1 3.46Å; C198-I202 WeakPolarHBondContact O-CG1 3.05Å; C198-I202 PolarHBondContact O-N 3.36Å; Y199-I202 PolarHBondContact O-N 2.83Å; E200-I202 PolarHBondContact O-N 3.49Å; I202-R205 PolarHBondContact O-N 3.48Å; I202-K206 HydrophobicContact CG2-CD 4Å; I202-K206 HydrophobicContact CG2-CG 4.36Å; I202-K206 WeakPolarHBondContact O-CB 3.46Å; I202-K206 WeakPolarHBondContact O-CG 3.5Å; I202-K206 PolarHBondContact O-N 2.88Å; I202-I212 HydrophobicContact CG2-CD1 4.29Å; I202-I212 HydrophobicContact CG2-CG2 4.35Å; I202-Y215 HydrophobicContact CD1-CD2 4.2Å; I202-Y215 HydrophobicContact CD1-CG 4Å; I202-Y215 HydrophobicContact CG1-CD2 3.88Å; I202-Y215 HydrophobicContact CG1-CG 4.1Å; I202-F254 HydrophobicContact CD1-CZ 4.18Å; I202-F254 HydrophobicContact CG2-CZ 4.27Å; I202-P274 HydrophobicContact CD1-CG 4.07Å
203	K	96.2	Very high	96.2	Very high	103 Å²	103	43.9 Å²	43.9	45%	0.448	23%	0.229	S	C	.	.	H	α-helix	trans	-61.8	-46.5	-178	-176.4	179.5	178.2	-178.5	0	111.7	Y199 E200 Y201 S207	Y199-K203 VanDerWaalsContact O-CB 3.24Å; Y199-K203 WeakPolarHBondContact O-CB 3.21Å; Y199-K203 PolarHBondContact O-N 2.68Å; E200-K203 PolarHBondContact O-N 3.41Å; Y201-K203 VanDerWaalsContact C-N 3.34Å; Y201-K203 PolarHBondContact O-N 3.19Å; K203-S207 WeakPolarHBondContact O-CB 3.26Å; K203-S207 PolarHBondContact O-N 3.21Å
204	E	96.4	Very high	96.1	Very high	47 Å²	47	44 Å²	44	22%	0.22	23%	0.23	C	C	.	.	H	α-helix	trans	-66.6	-43	-179.7	-71.9	179.2	171.6	0	0	112.1	K196 E200 Y201 S207 R208	K196-E204 VanDerWaalsContact NZ-CD 3.34Å; K196-E204 IonicContact NZ-OE1 3.8Å; K196-E204 PolarHBondContact NZ-OE1 3.31Å; K196-E204 IonicContact NZ-OE2 3.53Å; K196-E204 PolarHBondContact NZ-OE2 3.03Å; E200-E204 WeakPolarHBondContact O-CB 3.22Å; E200-E204 WeakPolarHBondContact O-CG 3.22Å; E200-E204 PolarHBondContact O-N 2.86Å; Y201-E204 PolarHBondContact O-N 3.28Å; E204-S207 PolarHBondContact O-N 2.87Å; E204-S207 PolarHBondContact O-OG 3.16Å; E204-R208 WeakPolarHBondContact O-CG 3.4Å; E204-R208 PolarHBondContact O-N 3.46Å; E204-R208 PolarHBondContact O-NE 3Å; E204-R208 IonicContact OE2-NH2 2.68Å; E204-R208 PolarHBondContact OE2-NH2 2.89Å
205	R	96.4	Very high	96.1	Very high	48 Å²	48	43.9 Å²	43.9	18%	0.181	23%	0.229	C	C	.	.	H	α-helix	trans	-68	-41.1	178	-69.9	-167	80.1	120.3	6.1	112.2	Y201 I202 S207 R208 G209 Q210 D211 I212	Y201-R205 HydrophobicContact CE1-CG 4.47Å; Y201-R205 HydrophobicContact CE2-CG 4.39Å; Y201-R205 WeakPolarHBondContact O-CG 3.3Å; Y201-R205 PolarHBondContact O-N 3.39Å; Y201-R205 WeakPolarHBondContact OH-CD 3.22Å; Y201-R205 PolarHBondContact OH-NH1 3.3Å; I202-R205 PolarHBondContact O-N 3.48Å; R205-S207 VanDerWaalsContact C-N 3.3Å; R205-S207 PolarHBondContact O-N 3.05Å; R205-R208 CarbonylContact O-C 3.58Å; R205-R208 PolarHBondContact O-N 3.08Å; R205-R208 VanDerWaalsContact O-N 3.07Å; R205-G209 PolarHBondContact O-N 2.72Å; R205-G209 VanDerWaalsContact O-N 3.11Å; R205-Q210 HydrophobicContact CB-CB 4.09Å; R205-Q210 HydrophobicContact CG-CB 4.45Å; R205-Q210 PolarHBondContact O-N 3.18Å; R205-D211 WeakPolarHBondContact CD-O 3.17Å; R205-D211 PolarHBondContact NE-O 3.01Å; R205-I212 HydrophobicContact CB-CG2 4.14Å
206	K	94.7	Very high	96.1	Very high	56 Å²	56	42 Å²	42	24%	0.243	22%	0.219	C	C	.	.	H	α-helix	trans	-56.5	-43.9	171.1	-79.2	-174.4	170.5	-175.5	0	112	I202 R208 G209 I212 D217 S253	I202-K206 HydrophobicContact CG2-CD 4Å; I202-K206 HydrophobicContact CG2-CG 4.36Å; I202-K206 WeakPolarHBondContact O-CB 3.46Å; I202-K206 WeakPolarHBondContact O-CG 3.5Å; I202-K206 PolarHBondContact O-N 2.88Å; K206-R208 PolarHBondContact O-N 2.84Å; K206-G209 PolarHBondContact O-N 2.96Å; K206-G209 VanDerWaalsContact O-N 3.07Å; K206-I212 HydrophobicContact CG-CG2 3.83Å; K206-D217 WeakPolarHBondContact CE-OD2 3.37Å; K206-D217 IonicContact NZ-OD2 2.66Å; K206-D217 PolarHBondContact NZ-OD2 3.37Å; K206-S253 PolarHBondContact NZ-O 3.48Å
207	S	94.5	Very high	95.9	Very high	100 Å²	100	40.9 Å²	40.9	70%	0.699	22%	0.215	S	C	*	.	H	α-helix	trans	-63.4	-26.7	179	77.7	0	0	0	0	113.5	K203 E204 R205	K203-S207 WeakPolarHBondContact O-CB 3.26Å; K203-S207 PolarHBondContact O-N 3.21Å; E204-S207 PolarHBondContact O-N 2.87Å; E204-S207 PolarHBondContact O-OG 3.16Å; R205-S207 VanDerWaalsContact C-N 3.3Å; R205-S207 PolarHBondContact O-N 3.05Å
208	R	95.3	Very high	95.7	Very high	132 Å²	132	44 Å²	44	50%	0.498	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	0.6	177.1	-67.6	-179.4	-92.8	-175.3	-6.1	113.4	D192 E204 R205 K206 Q210	D192-R208 IonicContact OD2-NH2 3.65Å; D192-R208 PolarHBondContact OD2-NH2 2.95Å; E204-R208 WeakPolarHBondContact O-CG 3.4Å; E204-R208 PolarHBondContact O-N 3.46Å; E204-R208 PolarHBondContact O-NE 3Å; E204-R208 IonicContact OE2-NH2 2.68Å; E204-R208 PolarHBondContact OE2-NH2 2.89Å; R205-R208 CarbonylContact O-C 3.58Å; R205-R208 PolarHBondContact O-N 3.08Å; R205-R208 VanDerWaalsContact O-N 3.07Å; K206-R208 PolarHBondContact O-N 2.84Å; R208-Q210 HydrophobicContact CB-CG 3.91Å; R208-Q210 PolarHBondContact O-N 2.59Å
209	G	92.4	Very high	95.5	Very high	74 Å²	74	45.8 Å²	45.8	76%	0.763	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	65	23.3	-174.6	0	0	0	0	0	113.8	R205 K206	R205-G209 PolarHBondContact O-N 2.72Å; R205-G209 VanDerWaalsContact O-N 3.11Å; K206-G209 PolarHBondContact O-N 2.96Å; K206-G209 VanDerWaalsContact O-N 3.07Å
210	Q	91.9	Very high	95.1	Very high	81 Å²	81	49.1 Å²	49.1	38%	0.379	27%	0.268	S	S	.	.			trans	-94.1	153.1	-178.7	-67.1	176.7	-39.3	0	0	111.1	R205 R208	R205-Q210 HydrophobicContact CB-CB 4.09Å; R205-Q210 HydrophobicContact CG-CB 4.45Å; R205-Q210 PolarHBondContact O-N 3.18Å; R208-Q210 HydrophobicContact CB-CG 3.91Å; R208-Q210 PolarHBondContact O-N 2.59Å
211	D	91.9	Very high	94.8	Very high	91 Å²	91	48.6 Å²	48.6	49%	0.487	27%	0.266	S	S	.	.			trans	-58.1	143.5	171.9	-177.6	39.1	0	0	0	111.3	R205 Q213	R205-D211 WeakPolarHBondContact CD-O 3.17Å; R205-D211 PolarHBondContact NE-O 3.01Å; D211-Q213 WeakPolarHBondContact OD2-CB 3.37Å; D211-Q213 VanDerWaalsContact OD2-CG 3.26Å; D211-Q213 WeakPolarHBondContact OD2-CG 3.39Å; D211-Q213 PolarHBondContact OD2-N 3.37Å
212	I	96.2	Very high	94.6	Very high	15 Å²	15	52.6 Å²	52.6	8%	0.077	29%	0.285	C	S	.	.			trans	-103.5	0.3	-175.6	62.8	167.3	0	0	0	113.1	I202 R205 K206 Y215 D217	I202-I212 HydrophobicContact CG2-CD1 4.29Å; I202-I212 HydrophobicContact CG2-CG2 4.35Å; R205-I212 HydrophobicContact CB-CG2 4.14Å; K206-I212 HydrophobicContact CG-CG2 3.83Å; I212-Y215 WeakPolarHBondContact O-CB 3.38Å; I212-Y215 PolarHBondContact O-N 3.47Å; I212-D217 HydrophobicContact CD1-CB 4.18Å
213	Q	96.5	Very high	94.4	Very high	26 Å²	26	55.3 Å²	55.3	12%	0.121	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	149	-179.9	-65.9	-160.8	37.8	0	0	111.9	Y201 D211 Y215 C224 S226 L276	Y201-Q213 PolarHBondContact OH-O 3.36Å; D211-Q213 WeakPolarHBondContact OD2-CB 3.37Å; D211-Q213 VanDerWaalsContact OD2-CG 3.26Å; D211-Q213 WeakPolarHBondContact OD2-CG 3.39Å; D211-Q213 PolarHBondContact OD2-N 3.37Å; Q213-Y215 VanDerWaalsContact C-N 3.27Å; Q213-Y215 VanDerWaalsContact CA-N 3.31Å; Q213-C224 PolarHBondContact NE2-O 3.28Å; Q213-C224 PolarHBondContact OE1-O 3.32Å; Q213-S226 VanDerWaalsContact CB-OG 3.26Å; Q213-S226 WeakPolarHBondContact CB-OG 3.25Å; Q213-S226 VanDerWaalsContact OE1-CB 3.28Å; Q213-S226 PolarHBondContact OE1-OG 2.76Å; Q213-L276 HydrophobicContact CG-CD1 3.84Å
214	P	96.6	Very high	94.3	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.019	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	cis	-78.4	3.8	7.6	34.4	-38.1	0	0	0	115	W185 F193 Y227 L276	W185-P214 HydrophobicContact CD2-CB 4.42Å; W185-P214 HydrophobicContact CD2-CG 4.26Å; W185-P214 HydrophobicContact CE3-CB 3.92Å; W185-P214 HydrophobicContact CE3-CG 4.25Å; W185-P214 HydrophobicContact CH2-CB 3.68Å; W185-P214 HydrophobicContact CH2-CG 3.73Å; W185-P214 HydrophobicContact CZ2-CB 4.21Å; W185-P214 HydrophobicContact CZ2-CG 3.76Å; W185-P214 HydrophobicContact CZ3-CB 3.52Å; W185-P214 HydrophobicContact CZ3-CG 4Å; F193-P214 HydrophobicContact CE2-CG 3.93Å; F193-P214 HydrophobicContact CZ-CG 4.26Å; P214-Y227 HydrophobicContact CB-CD1 3.91Å; P214-Y227 HydrophobicContact CB-CE1 4.06Å; P214-L276 PolarHBondContact O-N 3.29Å
215	Y	97.2	Very high	94.1	Very high	3 Å²	3	49.8 Å²	49.8	1%	0.012	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-79.6	167.3	176	-53.3	-57.4	0	0	0	113.1	F193 C198 Y201 I202 I212 Q213 C273 P274 V275	F193-Y215 HydrophobicContact CD2-CE2 4.04Å; F193-Y215 AromaticContact CE2-CE2 3.95Å; F193-Y215 HydrophobicContact CE2-CE2 3.95Å; F193-Y215 AromaticContact CE2-CZ 3.85Å; F193-Y215 WeakPolarHBondContact CE2-OH 3.12Å; C198-Y215 HydrophobicContact CB-CD1 4.11Å; C198-Y215 HydrophobicContact CB-CD2 4.1Å; C198-Y215 HydrophobicContact CB-CE1 3.63Å; C198-Y215 HydrophobicContact CB-CE2 3.58Å; C198-Y215 HydrophobicContact CB-CG 4.34Å; Y201-Y215 AromaticContact CD1-CD2 3.5Å; Y201-Y215 HydrophobicContact CD1-CD2 3.5Å; Y201-Y215 VanDerWaalsContact CD1-CD2 3.5Å; Y201-Y215 AromaticContact CD1-CE2 3.58Å; Y201-Y215 HydrophobicContact CD1-CE2 3.58Å; Y201-Y215 AromaticContact CE1-CD2 3.78Å; Y201-Y215 HydrophobicContact CE1-CD2 3.78Å; Y201-Y215 HydrophobicContact CE1-CE2 4.01Å; Y201-Y215 HydrophobicContact CG-CE2 4.21Å; I202-Y215 HydrophobicContact CD1-CD2 4.2Å; I202-Y215 HydrophobicContact CD1-CG 4Å; I202-Y215 HydrophobicContact CG1-CD2 3.88Å; I202-Y215 HydrophobicContact CG1-CG 4.1Å; I212-Y215 WeakPolarHBondContact O-CB 3.38Å; I212-Y215 PolarHBondContact O-N 3.47Å; Q213-Y215 VanDerWaalsContact C-N 3.27Å; Q213-Y215 VanDerWaalsContact CA-N 3.31Å; Y215-C273 HydrophobicContact CD1-CB 3.98Å; Y215-C273 HydrophobicContact CE1-CB 3.6Å; Y215-P274 CarbonylContact C-O 3.34Å; Y215-P274 WeakPolarHBondContact CA-O 3.37Å; Y215-P274 VanDerWaalsContact CB-O 3.27Å; Y215-P274 WeakPolarHBondContact CB-O 3.4Å; Y215-P274 WeakPolarHBondContact CD1-O 3.37Å; Y215-V275 HydrophobicContact CD1-CG2 3.76Å; Y215-V275 HydrophobicContact CE1-CG2 3.91Å
216	C	95.8	Very high	93.8	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.007	29%	0.291	C	S	.	.			trans	-145.6	164.9	179.8	52.4	0	0	0	0	111.3	E221 C234 P274 V275 L276	C216-E221 WeakPolarHBondContact CB-OE1 3.29Å; C216-C234 HydrophobicContact CB-CB 3.68Å; C216-C234 WeakPolarHBondContact CB-SG 3.39Å; C216-C234 WeakPolarHBondContact SG-CA 3.44Å; C216-C234 WeakPolarHBondContact SG-CB 3.21Å; C216-C234 CovalentContact SG-SG 2.02Å; C216-C234 PolarHBondContact SG-SG 2.83Å; C216-P274 PolarHBondContact N-O 2.83Å; C216-P274 VanDerWaalsContact O-CB 3.26Å; C216-P274 WeakPolarHBondContact O-CB 3.5Å; C216-P274 WeakPolarHBondContact O-CG 3.33Å; C216-P274 VanDerWaalsContact SG-C 3.58Å; C216-V275 VanDerWaalsContact SG-C 3.52Å; C216-L276 HydrophobicContact CB-CD2 4.06Å; C216-L276 HydrophobicContact CB-CG 3.97Å
217	D	94.5	Very high	93.7	Very high	20 Å²	20	48.4 Å²	48.4	11%	0.107	28%	0.28	C	S	.	.	S	Bend	trans	-131.7	-3.4	-174.3	66.3	-19.7	0	0	0	115.2	K206 I212 F254	K206-D217 WeakPolarHBondContact CE-OD2 3.37Å; K206-D217 IonicContact NZ-OD2 2.66Å; K206-D217 PolarHBondContact NZ-OD2 3.37Å; I212-D217 HydrophobicContact CD1-CB 4.18Å; D217-F254 HydrophobicContact CB-CD1 3.5Å; D217-F254 HydrophobicContact CB-CE1 3.72Å; D217-F254 HydrophobicContact CB-CG 4.23Å
218	I	93.1	Very high	93.5	Very high	66 Å²	66	44.7 Å²	44.7	34%	0.338	25%	0.252	S	S	.	.	S	Bend	trans	-110.7	122.1	174.6	-63.9	159.9	0	0	0	109.5	S220 E221 C234 T255	I218-S220 PolarHBondContact O-N 2.81Å; I218-E221 HydrophobicContact CB-CB 3.91Å; I218-E221 HydrophobicContact CB-CG 3.95Å; I218-E221 WeakPolarHBondContact CB-OE2 3.38Å; I218-E221 WeakPolarHBondContact CD1-OE2 3.42Å; I218-E221 HydrophobicContact CG2-CB 3.87Å; I218-E221 HydrophobicContact CG2-CG 4.45Å; I218-E221 WeakPolarHBondContact O-CG 3.16Å; I218-E221 PolarHBondContact O-N 2.77Å; I218-C234 VanDerWaalsContact O-CB 3.24Å; I218-C234 WeakPolarHBondContact O-CB 3.32Å; I218-C234 PolarHBondContact O-SG 2.75Å; I218-T255 WeakPolarHBondContact CG1-OG1 3.23Å
219	P	93.9	Very high	93.2	Very high	37 Å²	37	40.5 Å²	40.5	24%	0.24	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	127	176.2	-26.7	34.7	0	0	0	112.5	E221 L236 F256 Y264	P219-E221 PolarHBondContact O-N 2.92Å; P219-E221 VanDerWaalsContact O-N 3.07Å; P219-L236 HydrophobicContact CB-CG 4.49Å; P219-L236 WeakPolarHBondContact CB-O 3.4Å; P219-L236 HydrophobicContact CG-CD2 4.03Å; P219-L236 HydrophobicContact CG-CG 4.11Å; P219-F256 HydrophobicContact CG-CB 3.87Å; P219-F256 HydrophobicContact CG-CD1 3.79Å; P219-F256 HydrophobicContact CG-CD2 4.29Å; P219-F256 HydrophobicContact CG-CE1 4.41Å; P219-F256 HydrophobicContact CG-CG 3.72Å; P219-Y264 HydrophobicContact CG-CE1 4.08Å
220	S	91	Very high	93.1	Very high	86 Å²	86	37 Å²	37	60%	0.601	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	17.1	175.1	-52.8	0	0	0	0	115.7	I218 C234	I218-S220 PolarHBondContact O-N 2.81Å; S220-C234 PolarHBondContact N-O 2.86Å
221	E	91.8	Very high	93.1	Very high	26 Å²	26	33.5 Å²	33.5	12%	0.121	19%	0.187	C	C	.	.			trans	-62.7	147.3	170.6	70.6	177.3	172.7	0	0	110.7	C216 I218 P219 K223 T233 C234	C216-E221 WeakPolarHBondContact CB-OE1 3.29Å; I218-E221 HydrophobicContact CB-CB 3.91Å; I218-E221 HydrophobicContact CB-CG 3.95Å; I218-E221 WeakPolarHBondContact CB-OE2 3.38Å; I218-E221 WeakPolarHBondContact CD1-OE2 3.42Å; I218-E221 HydrophobicContact CG2-CB 3.87Å; I218-E221 HydrophobicContact CG2-CG 4.45Å; I218-E221 WeakPolarHBondContact O-CG 3.16Å; I218-E221 PolarHBondContact O-N 2.77Å; P219-E221 PolarHBondContact O-N 2.92Å; P219-E221 VanDerWaalsContact O-N 3.07Å; E221-K223 WeakPolarHBondContact OE1-CE 3.47Å; E221-K223 IonicContact OE1-NZ 2.76Å; E221-K223 PolarHBondContact OE1-NZ 3.44Å; E221-K223 WeakPolarHBondContact OE2-CE 3.4Å; E221-K223 IonicContact OE2-NZ 3.2Å; E221-K223 PolarHBondContact OE2-NZ 2.98Å; E221-T233 CarbonylContact O-C 3.52Å; E221-T233 WeakPolarHBondContact O-CA 3.49Å; E221-C234 HydrophobicContact CG-CB 3.65Å; E221-C234 PolarHBondContact O-N 2.79Å
222	Q	91.9	Very high	93.2	Very high	88 Å²	88	29.1 Å²	29.1	41%	0.411	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134.6	169	-69.1	-177.5	-47.8	0	0	108.7	I231 G232 T335	Q222-I231 HydrophobicContact CB-CG2 4.01Å; Q222-I231 HydrophobicContact CG-CG2 4.31Å; Q222-G232 WeakPolarHBondContact CA-O 3.45Å; Q222-T335 VanDerWaalsContact C-OG1 3.22Å; Q222-T335 PolarHBondContact O-OG1 2.84Å
223	K	93.5	Very high	93	Very high	59 Å²	59	29.5 Å²	29.5	26%	0.257	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	158.4	176.4	-74.8	-178.8	174.1	153.7	0	110.1	E221 A225 G232 L276 M316	E221-K223 WeakPolarHBondContact OE1-CE 3.47Å; E221-K223 IonicContact OE1-NZ 2.76Å; E221-K223 PolarHBondContact OE1-NZ 3.44Å; E221-K223 WeakPolarHBondContact OE2-CE 3.4Å; E221-K223 IonicContact OE2-NZ 3.2Å; E221-K223 PolarHBondContact OE2-NZ 2.98Å; K223-A225 PolarHBondContact O-N 3.49Å; K223-G232 PolarHBondContact N-O 3.02Å; K223-G232 WeakPolarHBondContact O-CA 3.49Å; K223-G232 PolarHBondContact O-N 3.3Å; K223-L276 HydrophobicContact CB-CD1 4.05Å; K223-L276 HydrophobicContact CB-CD2 4.1Å; K223-L276 HydrophobicContact CD-CD1 4.47Å; K223-M316 HydrophobicContact CB-SD 4.23Å; K223-M316 HydrophobicContact CG-CE 4.11Å; K223-M316 HydrophobicContact CG-SD 4.27Å
224	C	93.9	Very high	93	Very high	27 Å²	27	28.4 Å²	28.4	18%	0.182	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	125.8	166.4	-59.5	0	0	0	0	110.8	Q213 S226 C314 F315	Q213-C224 PolarHBondContact NE2-O 3.28Å; Q213-C224 PolarHBondContact OE1-O 3.32Å; C224-S226 PolarHBondContact O-N 3.17Å; C224-C314 WeakPolarHBondContact CA-SG 3.4Å; C224-C314 HydrophobicContact CB-CB 3.73Å; C224-C314 WeakPolarHBondContact CB-SG 3.17Å; C224-C314 WeakPolarHBondContact SG-CB 3.49Å; C224-C314 PolarHBondContact SG-O 3.18Å; C224-C314 VanDerWaalsContact SG-O 3.34Å; C224-C314 CovalentContact SG-SG 2.04Å; C224-C314 PolarHBondContact SG-SG 2.71Å; C224-F315 VanDerWaalsContact SG-C 3.6Å; C224-F315 PolarHBondContact SG-N 3.36Å; C224-F315 VanDerWaalsContact SG-N 3.4Å
225	A	93.4	Very high	92.9	Very high	7 Å²	7	28.6 Å²	28.6	6%	0.058	16%	0.163	C	C	.	.			trans	-74.1	123.8	177	0	0	0	0	0	110	K223 Y227 E228 G230 V278	K223-A225 PolarHBondContact O-N 3.49Å; A225-Y227 HydrophobicContact CB-CD1 4.09Å; A225-Y227 HydrophobicContact CB-CE1 3.8Å; A225-Y227 PolarHBondContact O-N 2.72Å; A225-E228 HydrophobicContact CB-CB 4.41Å; A225-E228 PolarHBondContact O-N 2.81Å; A225-G230 PolarHBondContact N-O 3.45Å; A225-V278 HydrophobicContact CB-CG2 3.67Å
226	S	90.9	Very high	92.8	Very high	70 Å²	70	28.5 Å²	28.5	49%	0.49	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-23.3	178.4	51.7	0	0	0	0	113.2	Q213 C224	Q213-S226 VanDerWaalsContact CB-OG 3.26Å; Q213-S226 WeakPolarHBondContact CB-OG 3.25Å; Q213-S226 VanDerWaalsContact OE1-CB 3.28Å; Q213-S226 PolarHBondContact OE1-OG 2.76Å; C224-S226 PolarHBondContact O-N 3.17Å
227	Y	91.3	Very high	92.7	Very high	5 Å²	5	32.2 Å²	32.2	2%	0.02	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-1.7	-176.6	66.8	-93.5	0	0	0	113.5	W185 P214 A225 L276 V278	W185-Y227 AromaticContact CE3-CD1 3.72Å; W185-Y227 HydrophobicContact CE3-CD1 3.72Å; W185-Y227 AromaticContact CE3-CD2 3.85Å; W185-Y227 HydrophobicContact CE3-CD2 3.85Å; W185-Y227 AromaticContact CE3-CE1 3.72Å; W185-Y227 HydrophobicContact CE3-CE1 3.72Å; W185-Y227 AromaticContact CE3-CE2 3.85Å; W185-Y227 HydrophobicContact CE3-CE2 3.85Å; W185-Y227 AromaticContact CE3-CG 3.78Å; W185-Y227 HydrophobicContact CE3-CG 3.78Å; W185-Y227 AromaticContact CE3-CZ 3.79Å; W185-Y227 HydrophobicContact CZ3-CD1 4.03Å; W185-Y227 AromaticContact CZ3-CE1 3.6Å; W185-Y227 HydrophobicContact CZ3-CE1 3.6Å; W185-Y227 HydrophobicContact CZ3-CE2 4.22Å; W185-Y227 HydrophobicContact CZ3-CG 4.5Å; W185-Y227 AromaticContact CZ3-CZ 3.71Å; P214-Y227 HydrophobicContact CB-CD1 3.91Å; P214-Y227 HydrophobicContact CB-CE1 4.06Å; A225-Y227 HydrophobicContact CB-CD1 4.09Å; A225-Y227 HydrophobicContact CB-CE1 3.8Å; A225-Y227 PolarHBondContact O-N 2.72Å; Y227-L276 WeakPolarHBondContact CE1-O 3.44Å; Y227-L276 PolarHBondContact OH-O 3.23Å; Y227-V278 HydrophobicContact CE2-CG2 4.45Å; Y227-V278 PolarHBondContact OH-N 2.87Å
228	E	90.4	Very high	92.8	Very high	22 Å²	22	35.1 Å²	35.1	10%	0.103	19%	0.189	C	C	.	.	S	Bend	trans	-157.2	148.3	-175.2	-171.2	58.1	-97.9	0	0	112.5	S156 R158 A225 G230 V278 L288	S156-E228 WeakPolarHBondContact CB-OE2 3.45Å; R158-E228 IonicContact CZ-OE1 2.91Å; R158-E228 IonicContact CZ-OE2 3.82Å; R158-E228 IonicContact NE-OE1 2.58Å; R158-E228 IonicContact NE-OE2 3.1Å; R158-E228 PolarHBondContact NE-OE2 3.32Å; R158-E228 IonicContact NH2-OE1 3.99Å; R158-E228 PolarHBondContact NH2-OE1 3.44Å; R158-E228 IonicContact NH2-OE2 3.99Å; R158-E228 PolarHBondContact NH2-OE2 3.41Å; A225-E228 HydrophobicContact CB-CB 4.41Å; A225-E228 PolarHBondContact O-N 2.81Å; E228-G230 PolarHBondContact O-N 2.84Å; E228-V278 HydrophobicContact CB-CG2 4.31Å; E228-L288 HydrophobicContact CG-CD2 3.33Å
229	N	89.5	Confident	92.9	Very high	44 Å²	44	33.8 Å²	33.8	24%	0.235	18%	0.182	C	C	.	.	S	Bend	trans	-75.4	72.6	171.1	-173.9	22.8	0	0	0	111.6	C289 S312 A313 C314	N229-C289 PolarHBondContact O-N 3.26Å; N229-S312 PolarHBondContact ND2-O 3.06Å; N229-A313 VanDerWaalsContact OD1-CA 3.22Å; N229-A313 WeakPolarHBondContact OD1-CA 3.01Å; N229-C314 PolarHBondContact OD1-N 3.45Å
230	G	90.9	Very high	93	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-166.9	168	-177.5	0	0	0	0	0	115	A225 E228 G232 S287	A225-G230 PolarHBondContact N-O 3.45Å; E228-G230 PolarHBondContact O-N 2.84Å; G230-G232 PolarHBondContact O-N 2.04Å; G230-S287 CarbonylContact C-O 3.58Å; G230-S287 WeakPolarHBondContact CA-O 3.46Å
231	I	91.6	Very high	93.2	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.036	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	110.6	179	-54.2	-179.9	0	0	0	108.5	Q222 S287 T335	Q222-I231 HydrophobicContact CB-CG2 4.01Å; Q222-I231 HydrophobicContact CG-CG2 4.31Å; I231-S287 PolarHBondContact N-O 2.04Å; I231-S287 WeakPolarHBondContact O-CB 3.19Å; I231-T335 HydrophobicContact CB-CG2 4.37Å; I231-T335 HydrophobicContact CD1-CG2 4.36Å; I231-T335 HydrophobicContact CG1-CG2 3.93Å; I231-T335 HydrophobicContact CG2-CG2 3.91Å
232	G	92.8	Very high	93.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	133.3	172.2	0	0	0	0	0	111	Q222 K223 G230 V277	Q222-G232 WeakPolarHBondContact CA-O 3.45Å; K223-G232 PolarHBondContact N-O 3.02Å; K223-G232 WeakPolarHBondContact O-CA 3.49Å; K223-G232 PolarHBondContact O-N 3.3Å; G230-G232 PolarHBondContact O-N 2.04Å; G232-V277 WeakPolarHBondContact CA-O 3.45Å
233	T	92.7	Very high	93.7	Very high	23 Å²	23	43.7 Å²	43.7	14%	0.141	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	130.6	169.4	-58.3	0	0	0	0	109.6	E221 A235 V277	E221-T233 CarbonylContact O-C 3.52Å; E221-T233 WeakPolarHBondContact O-CA 3.49Å; T233-A235 PolarHBondContact O-N 2.89Å; T233-A235 VanDerWaalsContact O-N 3.07Å; T233-V277 PolarHBondContact N-O 3.46Å; T233-V277 PolarHBondContact O-N 3.33Å
234	C	95.5	Very high	93.9	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.014	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	109.1	-179.4	-176.3	0	0	0	0	111.4	C216 I218 S220 E221 L236 L276	C216-C234 HydrophobicContact CB-CB 3.68Å; C216-C234 WeakPolarHBondContact CB-SG 3.39Å; C216-C234 WeakPolarHBondContact SG-CA 3.44Å; C216-C234 WeakPolarHBondContact SG-CB 3.21Å; C216-C234 CovalentContact SG-SG 2.02Å; C216-C234 PolarHBondContact SG-SG 2.83Å; I218-C234 VanDerWaalsContact O-CB 3.24Å; I218-C234 WeakPolarHBondContact O-CB 3.32Å; I218-C234 PolarHBondContact O-SG 2.75Å; S220-C234 PolarHBondContact N-O 2.86Å; E221-C234 HydrophobicContact CG-CB 3.65Å; E221-C234 PolarHBondContact O-N 2.79Å; C234-L236 PolarHBondContact O-N 3.39Å; C234-L276 HydrophobicContact CB-CD2 4.1Å
235	A	94.5	Very high	94	Very high	7 Å²	7	50 Å²	50	6%	0.058	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	73.4	173.2	0	0	0	0	0	110	T233 G266 Y267 V275 V277	T233-A235 PolarHBondContact O-N 2.89Å; T233-A235 VanDerWaalsContact O-N 3.07Å; A235-G266 WeakPolarHBondContact O-CA 3.08Å; A235-Y267 HydrophobicContact CB-CD2 3.82Å; A235-Y267 HydrophobicContact CB-CE2 3.58Å; A235-V275 WeakPolarHBondContact CB-O 3.36Å; A235-V275 PolarHBondContact N-O 2.76Å; A235-V277 HydrophobicContact CB-CG2 3.84Å
236	L	95.7	Very high	94.2	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	26%	0.255	C	S	.	.			trans	-133.1	112.5	174.9	172.1	56.6	0	0	0	108.6	P219 C234 M250 F254 F256 Y264 P274	P219-L236 HydrophobicContact CB-CG 4.49Å; P219-L236 WeakPolarHBondContact CB-O 3.4Å; P219-L236 HydrophobicContact CG-CD2 4.03Å; P219-L236 HydrophobicContact CG-CG 4.11Å; C234-L236 PolarHBondContact O-N 3.39Å; L236-M250 HydrophobicContact CD1-CE 3.59Å; L236-M250 HydrophobicContact CD1-CG 4.13Å; L236-M250 HydrophobicContact CD1-SD 4.2Å; L236-F254 HydrophobicContact CD2-CD1 4.31Å; L236-F256 HydrophobicContact CD2-CD1 4.31Å; L236-F256 HydrophobicContact CD2-CE1 3.96Å; L236-Y264 HydrophobicContact CD1-CD1 3.95Å; L236-Y264 HydrophobicContact CG-CD1 4.2Å; L236-P274 HydrophobicContact CB-CB 3.94Å; L236-P274 HydrophobicContact CD1-CB 4.17Å; L236-P274 HydrophobicContact CD2-CB 4.25Å; L236-P274 HydrophobicContact CG-CB 4.33Å
237	Y	94.5	Very high	94.6	Very high	79 Å²	79	49.1 Å²	49.1	31%	0.31	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	164.6	-174.8	55.8	-93.6	0	0	0	112.1	H239 Y264 G265 Y267	Y237-H239 AromaticContact CE2-CD2 3.96Å; Y237-H239 AromaticContact CE2-CE1 3.43Å; Y237-H239 VanDerWaalsContact CE2-CE1 3.43Å; Y237-H239 WeakPolarHBondContact CE2-CE1 3.31Å; Y237-H239 AromaticContact CE2-ND1 3.93Å; Y237-H239 AromaticContact CE2-NE2 3.44Å; Y237-H239 WeakPolarHBondContact CE2-NE2 3.05Å; Y237-H239 AromaticContact CZ-CE1 3.84Å; Y237-H239 AromaticContact CZ-NE2 3.87Å; Y237-H239 PolarHBondContact O-N 3.22Å; Y237-Y264 WeakPolarHBondContact O-CA 3.06Å; Y237-G265 PolarHBondContact N-O 3.36Å; Y237-G265 PolarHBondContact O-N 3.14Å; Y237-G265 VanDerWaalsContact O-N 3.15Å; Y237-Y267 HydrophobicContact CE1-CD1 4.01Å; Y237-Y267 AromaticContact CE1-CE1 3.86Å; Y237-Y267 HydrophobicContact CE1-CE1 3.86Å; Y237-Y267 AromaticContact CZ-CD1 4Å; Y237-Y267 WeakPolarHBondContact OH-CD1 3.01Å
238	K	95.9	Very high	94.8	Very high	82 Å²	82	48.9 Å²	48.9	36%	0.357	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	115	179.6	-166.6	172.6	-170.4	160.1	0	110.6	D258 K263 Y264	K238-D258 IonicContact NZ-OD1 3.99Å; K238-D258 PolarHBondContact NZ-OD1 3.05Å; K238-D258 IonicContact NZ-OD2 2.8Å; K238-D258 PolarHBondContact NZ-OD2 3.3Å; K238-K263 HydrophobicContact CG-CB 3.98Å; K238-Y264 HydrophobicContact CB-CD2 4.24Å; K238-Y264 HydrophobicContact CB-CE1 4.26Å; K238-Y264 HydrophobicContact CB-CE2 3.74Å; K238-Y264 HydrophobicContact CD-CE2 3.88Å; K238-Y264 HydrophobicContact CG-CD2 4.22Å; K238-Y264 HydrophobicContact CG-CE2 3.78Å
239	H	96.3	Very high	95.2	Very high	38 Å²	38	47.9 Å²	47.9	18%	0.176	23%	0.232	C	C	.	.			trans	-72.9	154.6	172.9	-68.6	-100.9	0	0	0	110.7	Y237 N241 L243 K263 G265 G266 Y272	Y237-H239 AromaticContact CE2-CD2 3.96Å; Y237-H239 AromaticContact CE2-CE1 3.43Å; Y237-H239 VanDerWaalsContact CE2-CE1 3.43Å; Y237-H239 WeakPolarHBondContact CE2-CE1 3.31Å; Y237-H239 AromaticContact CE2-ND1 3.93Å; Y237-H239 AromaticContact CE2-NE2 3.44Å; Y237-H239 WeakPolarHBondContact CE2-NE2 3.05Å; Y237-H239 AromaticContact CZ-CE1 3.84Å; Y237-H239 AromaticContact CZ-NE2 3.87Å; Y237-H239 PolarHBondContact O-N 3.22Å; H239-N241 VanDerWaalsContact C-N 3.3Å; H239-N241 PolarHBondContact O-N 3.33Å; H239-L243 HydrophobicContact CB-CD2 4.11Å; H239-K263 WeakPolarHBondContact CB-O 3.5Å; H239-K263 PolarHBondContact CD2-O 2.88Å; H239-K263 PolarHBondContact N-O 3.39Å; H239-G265 PolarHBondContact NE2-O 2.77Å; H239-G265 VanDerWaalsContact NE2-O 3.1Å; H239-G266 PolarHBondContact CE1-O 3.15Å; H239-G266 PolarHBondContact NE2-O 2.86Å; H239-Y272 AromaticContact CE1-CD1 3.78Å; H239-Y272 AromaticContact CE1-CE1 3.7Å; H239-Y272 AromaticContact NE2-CD1 3.87Å
240	K	95.2	Very high	95.5	Very high	196 Å²	196	46.1 Å²	46.1	85%	0.852	22%	0.223	S	C	*	.	S	Bend	trans	-60.1	-43.2	179.3	-67.2	-177	-179.7	178.6	0	111.6
241	N	95.3	Very high	95.5	Very high	127 Å²	127	48 Å²	48	68%	0.679	23%	0.233	S	C	*	.	S	Bend	trans	-107.5	158	179.5	-61.5	-28.4	0	0	0	109.9	H239	H239-N241 VanDerWaalsContact C-N 3.3Å; H239-N241 PolarHBondContact O-N 3.33Å
242	Q	96.6	Very high	95.5	Very high	109 Å²	109	54.7 Å²	54.7	51%	0.509	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-58.3	137.6	167.7	176.8	175.3	-33.2	0	0	110.1	E262 K263	Q242-E262 HydrophobicContact CB-CG 4.36Å; Q242-E262 HydrophobicContact CG-CB 4.04Å; Q242-E262 HydrophobicContact CG-CG 3.7Å; Q242-K263 HydrophobicContact CB-CG 4.44Å
243	L	97.3	Very high	95.3	Very high	12 Å²	12	57 Å²	57	6%	0.063	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-73.3	155.5	176.1	-63.2	179.1	0	0	0	110.2	H239 N247 Q248 E262 Y264 Y272	H239-L243 HydrophobicContact CB-CD2 4.11Å; L243-N247 HydrophobicContact CB-CB 4.47Å; L243-Q248 HydrophobicContact CB-CG 4.08Å; L243-Q248 PolarHBondContact O-NE2 3.04Å; L243-E262 PolarHBondContact N-O 2.78Å; L243-Y264 VanDerWaalsContact CD1-O 3.23Å; L243-Y264 WeakPolarHBondContact CD1-O 3.34Å; L243-Y272 HydrophobicContact CD1-CD1 4.08Å; L243-Y272 HydrophobicContact CD1-CG 4.42Å; L243-Y272 HydrophobicContact CD2-CD1 3.63Å; L243-Y272 HydrophobicContact CD2-CE1 3.52Å; L243-Y272 HydrophobicContact CD2-CG 4.43Å
244	N	97.2	Very high	95.3	Very high	116 Å²	116	56 Å²	56	62%	0.62	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-58.5	145.3	171	-67.9	-17.7	0	0	0	109.9	V246 N247 Q248	N244-V246 HydrophobicContact CB-CG1 4.21Å; N244-V246 PolarHBondContact O-N 3.25Å; N244-V246 VanDerWaalsContact O-N 3.1Å; N244-N247 WeakPolarHBondContact O-CA 3.29Å; N244-N247 PolarHBondContact O-N 2.79Å; N244-Q248 PolarHBondContact O-N 2.83Å
245	E	97.8	Very high	94.8	Very high	103 Å²	103	60.3 Å²	60.3	48%	0.481	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-54.9	-35.1	-174.1	-60.3	-173.8	157.2	0	0	113.6	S99 K101 Y104 N247 Q248	S99-E245 VanDerWaalsContact CB-O 3.27Å; S99-E245 WeakPolarHBondContact CB-O 3.5Å; S99-E245 PolarHBondContact OG-O 3.28Å; K101-E245 HydrophobicContact CB-CB 3.91Å; K101-E245 HydrophobicContact CB-CG 4.4Å; K101-E245 HydrophobicContact CG-CB 3.95Å; K101-E245 HydrophobicContact CG-CG 4.18Å; Y104-E245 WeakPolarHBondContact OH-CB 3.21Å; Y104-E245 PolarHBondContact OH-OE2 2.91Å; E245-N247 PolarHBondContact O-N 2.84Å; E245-Q248 PolarHBondContact O-N 3.31Å
246	V	97.5	Very high	94.5	Very high	35 Å²	35	61.2 Å²	61.2	21%	0.212	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-64	-22.7	176.1	67.7	0	0	0	0	113.7	W97 Y104 V106 N244 Y249	W97-V246 HydrophobicContact CG-CG2 4.45Å; Y104-V246 HydrophobicContact CD2-CB 4.34Å; Y104-V246 HydrophobicContact CD2-CG2 4.32Å; Y104-V246 HydrophobicContact CG-CB 4.35Å; Y104-V246 HydrophobicContact CG-CG2 4.23Å; V106-V246 HydrophobicContact CG1-CG2 3.64Å; N244-V246 HydrophobicContact CB-CG1 4.21Å; N244-V246 PolarHBondContact O-N 3.25Å; N244-V246 VanDerWaalsContact O-N 3.1Å; V246-Y249 VanDerWaalsContact O-CE1 3.31Å; V246-Y249 WeakPolarHBondContact O-CE1 3.47Å
247	N	97.5	Very high	94.1	Very high	23 Å²	23	67.8 Å²	67.8	12%	0.123	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-106.3	9.8	-178.3	-62.9	-22.5	0	0	0	113	L243 N244 E245 Y272	L243-N247 HydrophobicContact CB-CB 4.47Å; N244-N247 WeakPolarHBondContact O-CA 3.29Å; N244-N247 PolarHBondContact O-N 2.79Å; E245-N247 PolarHBondContact O-N 2.84Å; N247-Y272 HydrophobicContact CB-CD2 3.78Å; N247-Y272 HydrophobicContact CB-CE2 4.47Å; N247-Y272 HydrophobicContact CB-CG 4.14Å; N247-Y272 WeakPolarHBondContact ND2-CD2 3.43Å; N247-Y272 VanDerWaalsContact ND2-CE2 3.27Å; N247-Y272 WeakPolarHBondContact ND2-CE2 3.29Å
248	Q	97.3	Very high	93.8	Very high	1 Å²	1	66 Å²	66	1%	0.005	34%	0.343	C	S	.	.			trans	-93	101.7	178.5	-68.2	-179.2	27.6	0	0	110.4	S99 T100 L243 N244 E245 E262	S99-Q248 WeakPolarHBondContact CB-O 3.21Å; T100-Q248 WeakPolarHBondContact CB-O 3.4Å; T100-Q248 WeakPolarHBondContact CG2-O 3.46Å; T100-Q248 PolarHBondContact N-O 3.26Å; T100-Q248 WeakPolarHBondContact OG1-CB 3.34Å; T100-Q248 PolarHBondContact OG1-O 2.84Å; L243-Q248 HydrophobicContact CB-CG 4.08Å; L243-Q248 PolarHBondContact O-NE2 3.04Å; N244-Q248 PolarHBondContact O-N 2.83Å; E245-Q248 PolarHBondContact O-N 3.31Å; Q248-E262 HydrophobicContact CG-CB 4.5Å
249	Y	97.3	Very high	93.4	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.364	C	S	.	.			trans	-107.1	-13.3	-172.5	-53.2	-41.9	0	0	0	114.9	W97 C198 Y199 V246 D251 F254 D271	W97-Y249 AromaticContact NE1-CE1 3.91Å; W97-Y249 PolarHBondContact NE1-OH 3.37Å; C198-Y249 VanDerWaalsContact SG-CD2 3.56Å; C198-Y249 WeakPolarHBondContact SG-CE2 2.94Å; Y199-Y249 WeakPolarHBondContact CD2-O 3.25Å; Y199-Y249 WeakPolarHBondContact CE2-O 3.22Å; V246-Y249 VanDerWaalsContact O-CE1 3.31Å; V246-Y249 WeakPolarHBondContact O-CE1 3.47Å; Y249-D251 PolarHBondContact O-N 3.1Å; Y249-F254 WeakPolarHBondContact O-CE2 3.17Å; Y249-D271 WeakPolarHBondContact CE2-O 3.01Å; Y249-D271 PolarHBondContact OH-O 3.43Å
250	M	95.3	Very high	93.3	Very high	7 Å²	7	69.7 Å²	69.7	3%	0.034	37%	0.371	C	S	.	.			trans	-91.1	106.9	-169	-83	37.1	104.9	0	0	110.7	L236 F254 F256 K261 Y264 P274	L236-M250 HydrophobicContact CD1-CE 3.59Å; L236-M250 HydrophobicContact CD1-CG 4.13Å; L236-M250 HydrophobicContact CD1-SD 4.2Å; M250-F254 HydrophobicContact CB-CD2 4.45Å; M250-F254 HydrophobicContact CB-CG 4.44Å; M250-F254 HydrophobicContact CG-CD1 3.87Å; M250-F254 HydrophobicContact CG-CD2 4.37Å; M250-F254 HydrophobicContact CG-CE1 4.02Å; M250-F254 HydrophobicContact CG-CE2 4.5Å; M250-F254 HydrophobicContact CG-CG 4.07Å; M250-F254 HydrophobicContact CG-CZ 4.33Å; M250-F254 HydrophobicContact SD-CD1 4.05Å; M250-F254 HydrophobicContact SD-CE1 3.55Å; M250-F254 VanDerWaalsContact SD-CE1 3.55Å; M250-F254 HydrophobicContact SD-CE2 4.16Å; M250-F254 HydrophobicContact SD-CZ 3.61Å; M250-F256 HydrophobicContact CB-CE1 4.42Å; M250-F256 HydrophobicContact CB-CZ 4.11Å; M250-F256 HydrophobicContact CG-CE1 3.91Å; M250-F256 HydrophobicContact CG-CZ 3.91Å; M250-K261 HydrophobicContact CB-CB 4.12Å; M250-K261 WeakPolarHBondContact O-CB 3.28Å; M250-Y264 WeakPolarHBondContact CE-O 3.31Å; M250-P274 HydrophobicContact CE-CG 4.45Å; M250-P274 HydrophobicContact SD-CG 4.29Å
251	D	92.7	Very high	93.2	Very high	40 Å²	40	61.9 Å²	61.9	21%	0.214	34%	0.337	C	S	.	.			trans	-106.2	-165.4	175.2	76.1	-8.5	0	0	0	112	T100 Y199 Y249 S253 F254 K261	T100-D251 HydrophobicContact CG2-CB 3.89Å; Y199-D251 HydrophobicContact CE2-CB 4.22Å; Y199-D251 PolarHBondContact OH-OD2 3.32Å; Y249-D251 PolarHBondContact O-N 3.1Å; D251-S253 PolarHBondContact O-N 3.46Å; D251-S253 WeakPolarHBondContact OD1-CA 3.04Å; D251-S253 WeakPolarHBondContact OD1-CB 3.14Å; D251-S253 PolarHBondContact OD1-N 2.95Å; D251-S253 PolarHBondContact OD1-OG 2.87Å; D251-F254 PolarHBondContact O-N 3.25Å; D251-F254 WeakPolarHBondContact OD1-CD2 3.42Å; D251-K261 PolarHBondContact O-NZ 2.98Å
252	D	89.8	Confident	93.2	Very high	147 Å²	147	58 Å²	58	79%	0.786	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-6.9	179.2	-66.5	-27	0	0	0	115	F254 K261	D252-F254 VanDerWaalsContact C-N 3.27Å; D252-K261 IonicContact OD1-NZ 2.74Å; D252-K261 PolarHBondContact OD1-NZ 2.79Å
253	S	90.3	Very high	93.2	Very high	48 Å²	48	55.1 Å²	55.1	34%	0.336	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-12.7	169.8	79.7	0	0	0	0	113.2	K206 D251	K206-S253 PolarHBondContact NZ-O 3.48Å; D251-S253 PolarHBondContact O-N 3.46Å; D251-S253 WeakPolarHBondContact OD1-CA 3.04Å; D251-S253 WeakPolarHBondContact OD1-CB 3.14Å; D251-S253 PolarHBondContact OD1-N 2.95Å; D251-S253 PolarHBondContact OD1-OG 2.87Å
254	F	91.8	Very high	93.2	Very high	4 Å²	4	56 Å²	56	2%	0.018	30%	0.303	C	S	.	.	S	Bend	trans	-84	130.4	172.6	-72.1	-106.7	0	0	0	109.7	I202 D217 L236 Y249 M250 D251 D252 F256 P274	I202-F254 HydrophobicContact CD1-CZ 4.18Å; I202-F254 HydrophobicContact CG2-CZ 4.27Å; D217-F254 HydrophobicContact CB-CD1 3.5Å; D217-F254 HydrophobicContact CB-CE1 3.72Å; D217-F254 HydrophobicContact CB-CG 4.23Å; L236-F254 HydrophobicContact CD2-CD1 4.31Å; Y249-F254 WeakPolarHBondContact O-CE2 3.17Å; M250-F254 HydrophobicContact CB-CD2 4.45Å; M250-F254 HydrophobicContact CB-CG 4.44Å; M250-F254 HydrophobicContact CG-CD1 3.87Å; M250-F254 HydrophobicContact CG-CD2 4.37Å; M250-F254 HydrophobicContact CG-CE1 4.02Å; M250-F254 HydrophobicContact CG-CE2 4.5Å; M250-F254 HydrophobicContact CG-CG 4.07Å; M250-F254 HydrophobicContact CG-CZ 4.33Å; M250-F254 HydrophobicContact SD-CD1 4.05Å; M250-F254 HydrophobicContact SD-CE1 3.55Å; M250-F254 VanDerWaalsContact SD-CE1 3.55Å; M250-F254 HydrophobicContact SD-CE2 4.16Å; M250-F254 HydrophobicContact SD-CZ 3.61Å; D251-F254 PolarHBondContact O-N 3.25Å; D251-F254 WeakPolarHBondContact OD1-CD2 3.42Å; D252-F254 VanDerWaalsContact C-N 3.27Å; F254-F256 VanDerWaalsContact C-N 3.31Å; F254-F256 HydrophobicContact CB-CD1 3.94Å; F254-F256 HydrophobicContact CB-CE1 3.68Å; F254-F256 HydrophobicContact CD1-CE1 4.18Å; F254-F256 HydrophobicContact CG-CE1 4.26Å; F254-F256 PolarHBondContact O-N 3.47Å; F254-P274 HydrophobicContact CE1-CG 4.1Å; F254-P274 HydrophobicContact CZ-CG 4.49Å
255	T	84.7	Confident	93.2	Very high	91 Å²	91	50.4 Å²	50.4	56%	0.558	27%	0.274	S	S	*	.			trans	-76.3	-11.1	-164.8	47	0	0	0	0	114.6	I218	I218-T255 WeakPolarHBondContact CG1-OG1 3.23Å
256	F	88.4	Confident	93.1	Very high	26 Å²	26	45.5 Å²	45.5	11%	0.114	25%	0.251	C	S	.	.			trans	-81.8	149.7	-178.9	71.2	-88.3	0	0	0	113.3	P219 L236 M250 F254 D258 K261 Y264	P219-F256 HydrophobicContact CG-CB 3.87Å; P219-F256 HydrophobicContact CG-CD1 3.79Å; P219-F256 HydrophobicContact CG-CD2 4.29Å; P219-F256 HydrophobicContact CG-CE1 4.41Å; P219-F256 HydrophobicContact CG-CG 3.72Å; L236-F256 HydrophobicContact CD2-CD1 4.31Å; L236-F256 HydrophobicContact CD2-CE1 3.96Å; M250-F256 HydrophobicContact CB-CE1 4.42Å; M250-F256 HydrophobicContact CB-CZ 4.11Å; M250-F256 HydrophobicContact CG-CE1 3.91Å; M250-F256 HydrophobicContact CG-CZ 3.91Å; F254-F256 VanDerWaalsContact C-N 3.31Å; F254-F256 HydrophobicContact CB-CD1 3.94Å; F254-F256 HydrophobicContact CB-CE1 3.68Å; F254-F256 HydrophobicContact CD1-CE1 4.18Å; F254-F256 HydrophobicContact CG-CE1 4.26Å; F254-F256 PolarHBondContact O-N 3.47Å; F256-D258 HydrophobicContact CD2-CB 3.97Å; F256-D258 HydrophobicContact CE2-CB 4.07Å; F256-K261 HydrophobicContact CE2-CG 4.06Å; F256-K261 HydrophobicContact CZ-CG 4.12Å; F256-Y264 HydrophobicContact CD2-CE1 4.21Å; F256-Y264 HydrophobicContact CE1-CD1 4.47Å; F256-Y264 AromaticContact CE2-CD1 3.77Å; F256-Y264 HydrophobicContact CE2-CD1 3.77Å; F256-Y264 AromaticContact CE2-CD2 3.81Å; F256-Y264 HydrophobicContact CE2-CD2 3.81Å; F256-Y264 AromaticContact CE2-CE1 3.84Å; F256-Y264 HydrophobicContact CE2-CE1 3.84Å; F256-Y264 AromaticContact CE2-CE2 3.89Å; F256-Y264 HydrophobicContact CE2-CE2 3.89Å; F256-Y264 AromaticContact CE2-CG 3.75Å; F256-Y264 HydrophobicContact CE2-CG 3.75Å; F256-Y264 AromaticContact CE2-CZ 3.88Å; F256-Y264 AromaticContact CZ-CD1 3.74Å; F256-Y264 HydrophobicContact CZ-CD1 3.74Å; F256-Y264 HydrophobicContact CZ-CD2 4.16Å; F256-Y264 HydrophobicContact CZ-CE1 4.25Å; F256-Y264 AromaticContact CZ-CG 3.68Å; F256-Y264 HydrophobicContact CZ-CG 3.68Å
257	T	87.4	Confident	92.9	Very high	140 Å²	140	47.3 Å²	47.3	86%	0.859	25%	0.254	S	S	*	.			trans	-94.4	2.4	-166.3	60.7	0	0	0	0	115.6	T259	T257-T259 PolarHBondContact O-N 2.83Å
258	D	87.7	Confident	92.7	Very high	40 Å²	40	49.6 Å²	49.6	21%	0.214	27%	0.272	C	S	.	.			trans	-66.4	135.2	178.9	-163.2	-34.4	0	0	0	109.7	K238 F256 Q260 K261 Y264	K238-D258 IonicContact NZ-OD1 3.99Å; K238-D258 PolarHBondContact NZ-OD1 3.05Å; K238-D258 IonicContact NZ-OD2 2.8Å; K238-D258 PolarHBondContact NZ-OD2 3.3Å; F256-D258 HydrophobicContact CD2-CB 3.97Å; F256-D258 HydrophobicContact CE2-CB 4.07Å; D258-Q260 PolarHBondContact OD1-N 3.22Å; D258-K261 WeakPolarHBondContact O-CG 3.32Å; D258-Y264 HydrophobicContact CB-CE2 3.68Å; D258-Y264 WeakPolarHBondContact OD2-CE2 3.4Å; D258-Y264 PolarHBondContact OD2-OH 3Å
259	T	88.4	Confident	92.3	Very high	129 Å²	129	51.2 Å²	51.2	79%	0.791	28%	0.279	S	S	*	.	S	Bend	trans	-80	-21.5	-179.5	51.9	0	0	0	0	112.6	T257 K261	T257-T259 PolarHBondContact O-N 2.83Å; T259-K261 VanDerWaalsContact C-N 3.25Å; T259-K261 PolarHBondContact O-N 3.26Å; T259-K261 VanDerWaalsContact O-N 3.17Å
260	Q	93.4	Very high	92.2	Very high	70 Å²	70	51.2 Å²	51.2	33%	0.327	28%	0.279	S	S	.	.			trans	-89.8	49.1	-178.8	-58.2	-170.9	-71.8	0	0	111.8	D258 E262 K263	D258-Q260 PolarHBondContact OD1-N 3.22Å; Q260-E262 WeakPolarHBondContact CA-OE1 3.16Å; Q260-E262 VanDerWaalsContact CA-OE2 3.26Å; Q260-E262 WeakPolarHBondContact CA-OE2 3.37Å; Q260-E262 WeakPolarHBondContact CB-OE1 3.33Å; Q260-E262 PolarHBondContact O-N 2.79Å; Q260-E262 VanDerWaalsContact O-N 3.14Å; Q260-K263 HydrophobicContact CB-CD 4.3Å; Q260-K263 HydrophobicContact CB-CG 4.37Å; Q260-K263 WeakPolarHBondContact O-CB 3.48Å; Q260-K263 PolarHBondContact O-N 2.66Å
261	K	94	Very high	92.2	Very high	31 Å²	31	52.6 Å²	52.6	14%	0.135	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-59.1	-25.3	-177.1	-66.4	-172.4	176.9	176.8	0	112.7	M250 D251 D252 F256 D258 T259 K263 Y264	M250-K261 HydrophobicContact CB-CB 4.12Å; M250-K261 WeakPolarHBondContact O-CB 3.28Å; D251-K261 PolarHBondContact O-NZ 2.98Å; D252-K261 IonicContact OD1-NZ 2.74Å; D252-K261 PolarHBondContact OD1-NZ 2.79Å; F256-K261 HydrophobicContact CE2-CG 4.06Å; F256-K261 HydrophobicContact CZ-CG 4.12Å; D258-K261 WeakPolarHBondContact O-CG 3.32Å; T259-K261 VanDerWaalsContact C-N 3.25Å; T259-K261 PolarHBondContact O-N 3.26Å; T259-K261 VanDerWaalsContact O-N 3.17Å; K261-K263 PolarHBondContact O-N 2.77Å; K261-K263 VanDerWaalsContact O-N 3.1Å; K261-Y264 PolarHBondContact O-N 3.15Å
262	E	95.2	Very high	92.4	Very high	47 Å²	47	53.6 Å²	53.6	22%	0.22	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-62.5	-13.9	173.7	73.2	-73.6	169.7	0	0	114.5	Q242 L243 Q248 Q260	Q242-E262 HydrophobicContact CB-CG 4.36Å; Q242-E262 HydrophobicContact CG-CB 4.04Å; Q242-E262 HydrophobicContact CG-CG 3.7Å; L243-E262 PolarHBondContact N-O 2.78Å; Q248-E262 HydrophobicContact CG-CB 4.5Å; Q260-E262 WeakPolarHBondContact CA-OE1 3.16Å; Q260-E262 VanDerWaalsContact CA-OE2 3.26Å; Q260-E262 WeakPolarHBondContact CA-OE2 3.37Å; Q260-E262 WeakPolarHBondContact CB-OE1 3.33Å; Q260-E262 PolarHBondContact O-N 2.79Å; Q260-E262 VanDerWaalsContact O-N 3.14Å
263	K	97	Very high	92.8	Very high	47 Å²	47	46.7 Å²	46.7	20%	0.204	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-98.4	-8.8	174.5	-61	-170.1	175.4	-170.8	0	113.3	K238 H239 Q242 Q260 K261	K238-K263 HydrophobicContact CG-CB 3.98Å; H239-K263 WeakPolarHBondContact CB-O 3.5Å; H239-K263 PolarHBondContact CD2-O 2.88Å; H239-K263 PolarHBondContact N-O 3.39Å; Q242-K263 HydrophobicContact CB-CG 4.44Å; Q260-K263 HydrophobicContact CB-CD 4.3Å; Q260-K263 HydrophobicContact CB-CG 4.37Å; Q260-K263 WeakPolarHBondContact O-CB 3.48Å; Q260-K263 PolarHBondContact O-N 2.66Å; K261-K263 PolarHBondContact O-N 2.77Å; K261-K263 VanDerWaalsContact O-N 3.1Å
264	Y	97.2	Very high	93.1	Very high	30 Å²	30	44.4 Å²	44.4	12%	0.118	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	135.6	-176.5	-86	-102.7	0	0	0	111.2	P219 L236 Y237 K238 L243 M250 F256 D258 K261	P219-Y264 HydrophobicContact CG-CE1 4.08Å; L236-Y264 HydrophobicContact CD1-CD1 3.95Å; L236-Y264 HydrophobicContact CG-CD1 4.2Å; Y237-Y264 WeakPolarHBondContact O-CA 3.06Å; K238-Y264 HydrophobicContact CB-CD2 4.24Å; K238-Y264 HydrophobicContact CB-CE1 4.26Å; K238-Y264 HydrophobicContact CB-CE2 3.74Å; K238-Y264 HydrophobicContact CD-CE2 3.88Å; K238-Y264 HydrophobicContact CG-CD2 4.22Å; K238-Y264 HydrophobicContact CG-CE2 3.78Å; L243-Y264 VanDerWaalsContact CD1-O 3.23Å; L243-Y264 WeakPolarHBondContact CD1-O 3.34Å; M250-Y264 WeakPolarHBondContact CE-O 3.31Å; F256-Y264 HydrophobicContact CD2-CE1 4.21Å; F256-Y264 HydrophobicContact CE1-CD1 4.47Å; F256-Y264 AromaticContact CE2-CD1 3.77Å; F256-Y264 HydrophobicContact CE2-CD1 3.77Å; F256-Y264 AromaticContact CE2-CD2 3.81Å; F256-Y264 HydrophobicContact CE2-CD2 3.81Å; F256-Y264 AromaticContact CE2-CE1 3.84Å; F256-Y264 HydrophobicContact CE2-CE1 3.84Å; F256-Y264 AromaticContact CE2-CE2 3.89Å; F256-Y264 HydrophobicContact CE2-CE2 3.89Å; F256-Y264 AromaticContact CE2-CG 3.75Å; F256-Y264 HydrophobicContact CE2-CG 3.75Å; F256-Y264 AromaticContact CE2-CZ 3.88Å; F256-Y264 AromaticContact CZ-CD1 3.74Å; F256-Y264 HydrophobicContact CZ-CD1 3.74Å; F256-Y264 HydrophobicContact CZ-CD2 4.16Å; F256-Y264 HydrophobicContact CZ-CE1 4.25Å; F256-Y264 AromaticContact CZ-CG 3.68Å; F256-Y264 HydrophobicContact CZ-CG 3.68Å; D258-Y264 HydrophobicContact CB-CE2 3.68Å; D258-Y264 WeakPolarHBondContact OD2-CE2 3.4Å; D258-Y264 PolarHBondContact OD2-OH 3Å; K261-Y264 PolarHBondContact O-N 3.15Å
265	G	96.7	Very high	93.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	163	177.6	0	0	0	0	0	110.8	Y237 H239	Y237-G265 PolarHBondContact N-O 3.36Å; Y237-G265 PolarHBondContact O-N 3.14Å; Y237-G265 VanDerWaalsContact O-N 3.15Å; H239-G265 PolarHBondContact NE2-O 2.77Å; H239-G265 VanDerWaalsContact NE2-O 3.1Å
266	G	95.8	Very high	93.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.208	C	C	.	.			trans	-80.5	-159.1	170.1	0	0	0	0	0	113.1	A235 H239 Y272 C273	A235-G266 WeakPolarHBondContact O-CA 3.08Å; H239-G266 PolarHBondContact CE1-O 3.15Å; H239-G266 PolarHBondContact NE2-O 2.86Å; G266-Y272 PolarHBondContact N-O 2.84Å; G266-C273 WeakPolarHBondContact CA-O 3.24Å
267	Y	93.2	Very high	93.9	Very high	73 Å²	73	38.8 Å²	38.8	29%	0.286	20%	0.203	S	C	.	.			trans	-69.3	145.9	177.4	-63.1	-65.5	0	0	0	111.8	A235 Y237 F269 F270 Y272	A235-Y267 HydrophobicContact CB-CD2 3.82Å; A235-Y267 HydrophobicContact CB-CE2 3.58Å; Y237-Y267 HydrophobicContact CE1-CD1 4.01Å; Y237-Y267 AromaticContact CE1-CE1 3.86Å; Y237-Y267 HydrophobicContact CE1-CE1 3.86Å; Y237-Y267 AromaticContact CZ-CD1 4Å; Y237-Y267 WeakPolarHBondContact OH-CD1 3.01Å; Y267-F269 VanDerWaalsContact CB-CZ 3.44Å; Y267-F269 HydrophobicContact CD1-CE1 4.05Å; Y267-F269 HydrophobicContact CD1-CZ 4.22Å; Y267-F269 HydrophobicContact CD2-CE1 4.27Å; Y267-F269 HydrophobicContact CD2-CE2 4.21Å; Y267-F269 AromaticContact CD2-CZ 3.64Å; Y267-F269 HydrophobicContact CD2-CZ 3.64Å; Y267-F269 HydrophobicContact CE2-CZ 4.44Å; Y267-F269 AromaticContact CG-CE1 3.66Å; Y267-F269 HydrophobicContact CG-CE1 3.66Å; Y267-F269 HydrophobicContact CG-CE2 4.26Å; Y267-F269 AromaticContact CG-CZ 3.5Å; Y267-F269 HydrophobicContact CG-CZ 3.5Å; Y267-F269 PolarHBondContact O-N 2.98Å; Y267-F270 HydrophobicContact CD2-CD2 4.42Å; Y267-F270 PolarHBondContact O-N 3.01Å; Y267-Y272 WeakPolarHBondContact O-CA 3.36Å; Y267-Y272 PolarHBondContact O-N 3.15Å
268	S	92.4	Very high	94	Very high	70 Å²	70	32.1 Å²	32.1	49%	0.49	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-62.7	-28.1	-177.7	60.9	0	0	0	0	113.6	F270 D271	S268-F270 VanDerWaalsContact C-N 3.26Å; S268-F270 PolarHBondContact O-N 3.31Å; S268-D271 PolarHBondContact O-N 3.16Å; S268-D271 VanDerWaalsContact O-N 3.11Å
269	F	90	Very high	93.3	Very high	35 Å²	35	32.7 Å²	32.7	15%	0.154	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-76.2	-14.2	178.1	52.7	-99.8	0	0	0	113.5	Q141 F152 Y267 D271	Q141-F269 HydrophobicContact CB-CB 4.44Å; Q141-F269 HydrophobicContact CB-CD2 4.05Å; Q141-F269 WeakPolarHBondContact CB-O 3.45Å; Q141-F269 HydrophobicContact CG-CD2 3.8Å; Q141-F269 HydrophobicContact CG-CE2 4.39Å; F152-F269 HydrophobicContact CD2-CB 3.79Å; F152-F269 AromaticContact CD2-CD1 3.44Å; F152-F269 HydrophobicContact CD2-CD1 3.44Å; F152-F269 VanDerWaalsContact CD2-CD1 3.44Å; F152-F269 AromaticContact CD2-CD2 3.84Å; F152-F269 HydrophobicContact CD2-CD2 3.84Å; F152-F269 AromaticContact CD2-CE1 3.85Å; F152-F269 HydrophobicContact CD2-CE1 3.85Å; F152-F269 HydrophobicContact CD2-CE2 4.19Å; F152-F269 AromaticContact CD2-CG 3.42Å; F152-F269 HydrophobicContact CD2-CG 3.42Å; F152-F269 VanDerWaalsContact CD2-CG 3.42Å; F152-F269 HydrophobicContact CD2-CZ 4.21Å; F152-F269 HydrophobicContact CE2-CB 3.68Å; F152-F269 AromaticContact CE2-CD1 3.24Å; F152-F269 HydrophobicContact CE2-CD1 3.24Å; F152-F269 HydrophobicContact CE2-CD2 4.41Å; F152-F269 AromaticContact CE2-CE1 3.9Å; F152-F269 HydrophobicContact CE2-CE1 3.9Å; F152-F269 AromaticContact CE2-CG 3.54Å; F152-F269 HydrophobicContact CE2-CG 3.54Å; F152-F269 HydrophobicContact CG-CD1 4.29Å; F152-F269 HydrophobicContact CG-CE1 4.26Å; F152-F269 HydrophobicContact CG-CG 4.45Å; F152-F269 HydrophobicContact CG-CZ 4.39Å; F152-F269 AromaticContact CZ-CD1 3.96Å; F152-F269 HydrophobicContact CZ-CD1 3.96Å; F152-F269 HydrophobicContact CZ-CE1 4.33Å; Y267-F269 VanDerWaalsContact CB-CZ 3.44Å; Y267-F269 HydrophobicContact CD1-CE1 4.05Å; Y267-F269 HydrophobicContact CD1-CZ 4.22Å; Y267-F269 HydrophobicContact CD2-CE1 4.27Å; Y267-F269 HydrophobicContact CD2-CE2 4.21Å; Y267-F269 AromaticContact CD2-CZ 3.64Å; Y267-F269 HydrophobicContact CD2-CZ 3.64Å; Y267-F269 HydrophobicContact CE2-CZ 4.44Å; Y267-F269 AromaticContact CG-CE1 3.66Å; Y267-F269 HydrophobicContact CG-CE1 3.66Å; Y267-F269 HydrophobicContact CG-CE2 4.26Å; Y267-F269 AromaticContact CG-CZ 3.5Å; Y267-F269 HydrophobicContact CG-CZ 3.5Å; Y267-F269 PolarHBondContact O-N 2.98Å; F269-D271 VanDerWaalsContact C-N 3.32Å
270	F	94.9	Very high	92.2	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-97.1	24.8	165.8	-72.7	-65.8	0	0	0	111.4	Q141 L154 W185 Y267 S268 Y272 C273 V275 V277	Q141-F270 HydrophobicContact CB-CD1 3.95Å; Q141-F270 HydrophobicContact CB-CE1 3.94Å; Q141-F270 HydrophobicContact CG-CD1 4.19Å; Q141-F270 HydrophobicContact CG-CE1 3.71Å; Q141-F270 HydrophobicContact CG-CZ 3.9Å; Q141-F270 WeakPolarHBondContact O-CD1 3.48Å; Q141-F270 WeakPolarHBondContact O-CE1 3.27Å; L154-F270 HydrophobicContact CD1-CZ 4.46Å; W185-F270 HydrophobicContact CH2-CD1 4.49Å; W185-F270 AromaticContact CH2-CE1 3.84Å; W185-F270 HydrophobicContact CH2-CE1 3.84Å; W185-F270 HydrophobicContact CH2-CZ 4.36Å; W185-F270 HydrophobicContact CZ2-CD1 4.45Å; W185-F270 AromaticContact CZ2-CE1 3.95Å; W185-F270 HydrophobicContact CZ2-CE1 3.95Å; Y267-F270 HydrophobicContact CD2-CD2 4.42Å; Y267-F270 PolarHBondContact O-N 3.01Å; S268-F270 VanDerWaalsContact C-N 3.26Å; S268-F270 PolarHBondContact O-N 3.31Å; F270-Y272 PolarHBondContact O-N 3.18Å; F270-Y272 VanDerWaalsContact O-N 3.16Å; F270-C273 WeakPolarHBondContact O-CB 3.48Å; F270-C273 PolarHBondContact O-N 2.86Å; F270-C273 PolarHBondContact O-SG 3.29Å; F270-V275 HydrophobicContact CB-CG2 4.23Å; F270-V275 HydrophobicContact CD1-CG2 4.1Å; F270-V275 HydrophobicContact CD2-CB 4.45Å; F270-V275 HydrophobicContact CD2-CG2 4.39Å; F270-V275 HydrophobicContact CE1-CG1 4.49Å; F270-V275 HydrophobicContact CE2-CG1 4.31Å; F270-V275 HydrophobicContact CG-CG2 4.03Å; F270-V275 HydrophobicContact CZ-CG1 4.26Å; F270-V277 HydrophobicContact CE2-CG2 4.12Å
271	D	95.4	Very high	90.3	Very high	36 Å²	36	30.6 Å²	30.6	19%	0.193	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	32.9	-173.9	-71.4	-28	0	0	0	113.9	K108 R142 Y249 S268 F269 C273	K108-D271 IonicContact NZ-OD1 3.91Å; K108-D271 IonicContact NZ-OD2 2.59Å; K108-D271 PolarHBondContact NZ-OD2 2.78Å; R142-D271 WeakPolarHBondContact CD-OD2 3.42Å; R142-D271 IonicContact NE-OD2 3.49Å; Y249-D271 WeakPolarHBondContact CE2-O 3.01Å; Y249-D271 PolarHBondContact OH-O 3.43Å; S268-D271 PolarHBondContact O-N 3.16Å; S268-D271 VanDerWaalsContact O-N 3.11Å; F269-D271 VanDerWaalsContact C-N 3.32Å; D271-C273 PolarHBondContact O-N 3Å
272	Y	97.3	Very high	88.1	Confident	61 Å²	61	36.2 Å²	36.2	24%	0.239	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	64	13.2	-174.5	-56.9	-91.4	0	0	0	115	H239 L243 N247 G266 Y267 F270	H239-Y272 AromaticContact CE1-CD1 3.78Å; H239-Y272 AromaticContact CE1-CE1 3.7Å; H239-Y272 AromaticContact NE2-CD1 3.87Å; L243-Y272 HydrophobicContact CD1-CD1 4.08Å; L243-Y272 HydrophobicContact CD1-CG 4.42Å; L243-Y272 HydrophobicContact CD2-CD1 3.63Å; L243-Y272 HydrophobicContact CD2-CE1 3.52Å; L243-Y272 HydrophobicContact CD2-CG 4.43Å; N247-Y272 HydrophobicContact CB-CD2 3.78Å; N247-Y272 HydrophobicContact CB-CE2 4.47Å; N247-Y272 HydrophobicContact CB-CG 4.14Å; N247-Y272 WeakPolarHBondContact ND2-CD2 3.43Å; N247-Y272 VanDerWaalsContact ND2-CE2 3.27Å; N247-Y272 WeakPolarHBondContact ND2-CE2 3.29Å; G266-Y272 PolarHBondContact N-O 2.84Å; Y267-Y272 WeakPolarHBondContact O-CA 3.36Å; Y267-Y272 PolarHBondContact O-N 3.15Å; F270-Y272 PolarHBondContact O-N 3.18Å; F270-Y272 VanDerWaalsContact O-N 3.16Å
273	C	98	Very high	85.8	Confident	1 Å²	1	42 Å²	42	1%	0.007	20%	0.2	C	C	.	.			trans	-67.4	139.7	173.8	-63.1	0	0	0	0	111.3	C198 Y215 G266 F270 D271 V275	C198-C273 HydrophobicContact CB-CB 3.65Å; C198-C273 WeakPolarHBondContact CB-SG 3.38Å; C198-C273 WeakPolarHBondContact SG-CA 3.24Å; C198-C273 WeakPolarHBondContact SG-CB 3.34Å; C198-C273 CovalentContact SG-SG 2.03Å; C198-C273 PolarHBondContact SG-SG 3.06Å; Y215-C273 HydrophobicContact CD1-CB 3.98Å; Y215-C273 HydrophobicContact CE1-CB 3.6Å; G266-C273 WeakPolarHBondContact CA-O 3.24Å; F270-C273 WeakPolarHBondContact O-CB 3.48Å; F270-C273 PolarHBondContact O-N 2.86Å; F270-C273 PolarHBondContact O-SG 3.29Å; D271-C273 PolarHBondContact O-N 3Å; C273-V275 HydrophobicContact CB-CG2 4.4Å; C273-V275 PolarHBondContact O-N 2.87Å
274	P	97	Very high	83.6	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.215	C	C	.	.			trans	-77.7	109.8	176.3	31.1	-32.2	0	0	0	109.7	I202 Y215 C216 L236 M250 F254	I202-P274 HydrophobicContact CD1-CG 4.07Å; Y215-P274 CarbonylContact C-O 3.34Å; Y215-P274 WeakPolarHBondContact CA-O 3.37Å; Y215-P274 VanDerWaalsContact CB-O 3.27Å; Y215-P274 WeakPolarHBondContact CB-O 3.4Å; Y215-P274 WeakPolarHBondContact CD1-O 3.37Å; C216-P274 PolarHBondContact N-O 2.83Å; C216-P274 VanDerWaalsContact O-CB 3.26Å; C216-P274 WeakPolarHBondContact O-CB 3.5Å; C216-P274 WeakPolarHBondContact O-CG 3.33Å; C216-P274 VanDerWaalsContact SG-C 3.58Å; L236-P274 HydrophobicContact CB-CB 3.94Å; L236-P274 HydrophobicContact CD1-CB 4.17Å; L236-P274 HydrophobicContact CD2-CB 4.25Å; L236-P274 HydrophobicContact CG-CB 4.33Å; M250-P274 HydrophobicContact CE-CG 4.45Å; M250-P274 HydrophobicContact SD-CG 4.29Å; F254-P274 HydrophobicContact CE1-CG 4.1Å; F254-P274 HydrophobicContact CZ-CG 4.49Å
275	V	95.8	Very high	82	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	139.9	-172.2	165.9	0	0	0	0	110.2	W185 Y215 C216 A235 F270 C273 V277	W185-V275 HydrophobicContact CH2-CB 4.48Å; W185-V275 HydrophobicContact CH2-CG1 3.46Å; W185-V275 VanDerWaalsContact CH2-CG1 3.46Å; W185-V275 HydrophobicContact CH2-CG2 4.15Å; W185-V275 HydrophobicContact CZ3-CG1 3.88Å; Y215-V275 HydrophobicContact CD1-CG2 3.76Å; Y215-V275 HydrophobicContact CE1-CG2 3.91Å; C216-V275 VanDerWaalsContact SG-C 3.52Å; A235-V275 WeakPolarHBondContact CB-O 3.36Å; A235-V275 PolarHBondContact N-O 2.76Å; F270-V275 HydrophobicContact CB-CG2 4.23Å; F270-V275 HydrophobicContact CD1-CG2 4.1Å; F270-V275 HydrophobicContact CD2-CB 4.45Å; F270-V275 HydrophobicContact CD2-CG2 4.39Å; F270-V275 HydrophobicContact CE1-CG1 4.49Å; F270-V275 HydrophobicContact CE2-CG1 4.31Å; F270-V275 HydrophobicContact CG-CG2 4.03Å; F270-V275 HydrophobicContact CZ-CG1 4.26Å; C273-V275 HydrophobicContact CB-CG2 4.4Å; C273-V275 PolarHBondContact O-N 2.87Å; V275-V277 HydrophobicContact CB-CG2 4.27Å; V275-V277 HydrophobicContact CG1-CG2 3.8Å; V275-V277 PolarHBondContact O-N 3.01Å
276	L	94.9	Very high	80.9	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	110.9	162.9	-72.6	171.1	0	0	0	108.5	Q213 P214 C216 K223 Y227 C234	Q213-L276 HydrophobicContact CG-CD1 3.84Å; P214-L276 PolarHBondContact O-N 3.29Å; C216-L276 HydrophobicContact CB-CD2 4.06Å; C216-L276 HydrophobicContact CB-CG 3.97Å; K223-L276 HydrophobicContact CB-CD1 4.05Å; K223-L276 HydrophobicContact CB-CD2 4.1Å; K223-L276 HydrophobicContact CD-CD1 4.47Å; Y227-L276 WeakPolarHBondContact CE1-O 3.44Å; Y227-L276 PolarHBondContact OH-O 3.23Å; C234-L276 HydrophobicContact CB-CD2 4.1Å
277	V	90.9	Very high	80.4	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.6	-179.3	-176.9	0	0	0	0	109.6	L154 G232 T233 A235 F270 V275 H279	L154-V277 HydrophobicContact CD2-CG1 3.9Å; G232-V277 WeakPolarHBondContact CA-O 3.45Å; T233-V277 PolarHBondContact N-O 3.46Å; T233-V277 PolarHBondContact O-N 3.33Å; A235-V277 HydrophobicContact CB-CG2 3.84Å; F270-V277 HydrophobicContact CE2-CG2 4.12Å; V275-V277 HydrophobicContact CB-CG2 4.27Å; V275-V277 HydrophobicContact CG1-CG2 3.8Å; V275-V277 PolarHBondContact O-N 3.01Å; V277-H279 VanDerWaalsContact CG1-CE1 3.45Å; V277-H279 WeakPolarHBondContact CG1-CE1 3.14Å; V277-H279 PolarHBondContact O-CD2 3.12Å; V277-H279 PolarHBondContact O-N 3.05Å
278	V	88.9	Confident	80.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	107.5	170.6	-177.3	0	0	0	0	108	A225 Y227 E228 L288	A225-V278 HydrophobicContact CB-CG2 3.67Å; Y227-V278 HydrophobicContact CE2-CG2 4.45Å; Y227-V278 PolarHBondContact OH-N 2.87Å; E228-V278 HydrophobicContact CB-CG2 4.31Å; V278-L288 HydrophobicContact CG1-CD2 3.87Å; V278-L288 HydrophobicContact CG1-CG 4.29Å
279	H	73.8	Confident	79.9	Confident	52 Å²	52	41.8 Å²	41.8	24%	0.241	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-99.4	150.4	-173.4	-72.2	-75.6	0	0	0	112.5	V277 S287	V277-H279 VanDerWaalsContact CG1-CE1 3.45Å; V277-H279 WeakPolarHBondContact CG1-CE1 3.14Å; V277-H279 PolarHBondContact O-CD2 3.12Å; V277-H279 PolarHBondContact O-N 3.05Å; H279-S287 WeakPolarHBondContact O-CB 3.31Å; H279-S287 PolarHBondContact O-N 3.29Å; H279-S287 PolarHBondContact O-OG 3.2Å
280	S	63.5	Low	79.6	Confident	67 Å²	67	43.1 Å²	43.1	47%	0.469	21%	0.209	S	C	.	.	B	Isolated β-bridge	trans	-92.6	122.4	157.8	169.5	0	0	0	0	108.1	E155	E155-S280 WeakPolarHBondContact OE2-CA 3.39Å
281	Y	54.8	Low	78.7	Confident	89 Å²	89	48.3 Å²	48.3	35%	0.349	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-79.8	146.2	173.2	-63.4	-78.1	0	0	0	109.7	K283 E285 S287	Y281-K283 PolarHBondContact O-N 3.33Å; Y281-E285 HydrophobicContact CD2-CB 4.04Å; Y281-E285 WeakPolarHBondContact CD2-O 3.36Å; Y281-E285 PolarHBondContact N-O 3.48Å; Y281-S287 WeakPolarHBondContact CE2-OG 3.35Å
282	E	47.8	Very low	77.3	Confident	149 Å²	149	54.2 Å²	54.2	70%	0.696	25%	0.252	S	S	*	.	S	Bend	trans	-60.3	-4.6	-174.6	-69	-169.7	152.5	0	0	115.4	Q62	Q62-E282 PolarHBondContact NE2-OE1 2.83Å
283	K	46.9	Very low	75.7	Confident	169 Å²	169	53 Å²	53	74%	0.735	25%	0.253	S	S	*	.	S	Bend	trans	-125.5	55.8	-178.6	-71.2	-174.3	172.1	-175.4	0	112.6	Y281 E285 L295	Y281-K283 PolarHBondContact O-N 3.33Å; K283-E285 PolarHBondContact O-N 2.88Å; K283-L295 WeakPolarHBondContact O-CD1 3.09Å
284	D	51	Low	73.7	Confident	98 Å²	98	59.7 Å²	59.7	52%	0.524	29%	0.289	S	S	.	.	S	Bend	trans	57.4	11.2	167.3	-50.6	-36.3	0	0	0	116.6	S286	D284-S286 PolarHBondContact O-N 2.8Å
285	E	63.3	Low	71.7	Confident	101 Å²	101	63.4 Å²	63.4	47%	0.472	31%	0.308	S	S	.	.			trans	-86.9	97.1	167.4	-71.4	-177.7	170.5	0	0	108.2	Y281 K283 L295	Y281-E285 HydrophobicContact CD2-CB 4.04Å; Y281-E285 WeakPolarHBondContact CD2-O 3.36Å; Y281-E285 PolarHBondContact N-O 3.48Å; K283-E285 PolarHBondContact O-N 2.88Å; E285-L295 HydrophobicContact CG-CD1 3.39Å
286	S	73.5	Confident	69.7	Low	9 Å²	9	72 Å²	72	6%	0.063	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-68.6	134.7	167.7	160.9	0	0	0	0	109.5	E155 D284 L288 R308	E155-S286 VanDerWaalsContact OE1-CB 3.27Å; E155-S286 WeakPolarHBondContact OE1-CB 3.31Å; E155-S286 PolarHBondContact OE1-OG 3.2Å; D284-S286 PolarHBondContact O-N 2.8Å; S286-L288 WeakPolarHBondContact OG-CA 3.48Å; S286-L288 VanDerWaalsContact OG-CB 3.28Å; S286-L288 WeakPolarHBondContact OG-CB 3.17Å; S286-L288 PolarHBondContact OG-N 3.11Å; S286-L288 PolarHBondContact OG-O 3.3Å; S286-R308 WeakPolarHBondContact O-CD 3.2Å; S286-R308 PolarHBondContact O-NE 3.31Å
287	S	85.5	Confident	67.8	Low	4 Å²	4	75.1 Å²	75.1	3%	0.028	37%	0.368	C	S	.	.	S	Bend	trans	-80.9	-9.8	167.9	-60.8	0	0	0	0	112.3	E155 G230 I231 H279 Y281	E155-S287 PolarHBondContact OE2-N 3.44Å; G230-S287 CarbonylContact C-O 3.58Å; G230-S287 WeakPolarHBondContact CA-O 3.46Å; I231-S287 PolarHBondContact N-O 2.04Å; I231-S287 WeakPolarHBondContact O-CB 3.19Å; H279-S287 WeakPolarHBondContact O-CB 3.31Å; H279-S287 PolarHBondContact O-N 3.29Å; H279-S287 PolarHBondContact O-OG 3.2Å; Y281-S287 WeakPolarHBondContact CE2-OG 3.35Å
288	L	87	Confident	66	Low	3 Å²	3	82.9 Å²	82.9	2%	0.016	41%	0.41	C	S	.	.	B	Isolated β-bridge	trans	-75.2	135.5	170.4	-58.8	170.5	0	0	0	110	E155 E228 V278 S286 D290 R291	E155-L288 HydrophobicContact CG-CD1 3.82Å; E155-L288 HydrophobicContact CG-CG 4.3Å; E228-L288 HydrophobicContact CG-CD2 3.33Å; V278-L288 HydrophobicContact CG1-CD2 3.87Å; V278-L288 HydrophobicContact CG1-CG 4.29Å; S286-L288 WeakPolarHBondContact OG-CA 3.48Å; S286-L288 VanDerWaalsContact OG-CB 3.28Å; S286-L288 WeakPolarHBondContact OG-CB 3.17Å; S286-L288 PolarHBondContact OG-N 3.11Å; S286-L288 PolarHBondContact OG-O 3.3Å; L288-D290 WeakPolarHBondContact CB-OD1 3.41Å; L288-R291 HydrophobicContact CB-CB 4.4Å; L288-R291 HydrophobicContact CD1-CG 4.48Å
289	C	88.2	Confident	64.5	Low	0 Å²	0	85 Å²	85	0%	0	43%	0.425	C	S	.	.	S	Bend	trans	-78.8	-36.4	179.3	-63.8	0	0	0	0	111.5	N229 R291 R308 G309 S312 C314 C337	N229-C289 PolarHBondContact O-N 3.26Å; C289-R291 PolarHBondContact O-N 2.86Å; C289-R308 CarbonylContact O-C 3.59Å; C289-R308 VanDerWaalsContact O-CA 3.24Å; C289-R308 WeakPolarHBondContact O-CA 3.27Å; C289-G309 PolarHBondContact O-N 3.02Å; C289-S312 PolarHBondContact O-OG 3.29Å; C289-C314 PolarHBondContact SG-N 2.85Å; C289-C314 VanDerWaalsContact SG-N 3.42Å; C289-C337 WeakPolarHBondContact CA-SG 2.98Å; C289-C337 HydrophobicContact CB-CB 3.61Å; C289-C337 WeakPolarHBondContact CB-SG 3.49Å; C289-C337 WeakPolarHBondContact SG-CB 3.41Å; C289-C337 CovalentContact SG-SG 2.04Å; C289-C337 PolarHBondContact SG-SG 2.75Å
290	D	83.7	Confident	63.6	Low	62 Å²	62	87.1 Å²	87.1	33%	0.332	44%	0.441	S	S	.	.	S	Bend	trans	-69.7	-17.1	-177.6	63.3	-8.8	0	0	0	114.8	L288 G309	L288-D290 WeakPolarHBondContact CB-OD1 3.41Å; D290-G309 VanDerWaalsContact CA-O 3.3Å; D290-G309 WeakPolarHBondContact CA-O 3.3Å; D290-G309 CarbonylContact O-C 3.58Å
291	R	74.5	Confident	63.2	Low	110 Å²	110	85.5 Å²	85.5	42%	0.415	43%	0.427	S	S	.	.	S	Bend	trans	-83.8	122.8	176.4	-90.7	-170.9	171.7	158.3	-0.4	111.9	E155 L288 C289 S293 R308	E155-R291 IonicContact OE1-CZ 3.36Å; E155-R291 IonicContact OE1-NH1 3.47Å; E155-R291 PolarHBondContact OE1-NH1 2.91Å; L288-R291 HydrophobicContact CB-CB 4.4Å; L288-R291 HydrophobicContact CD1-CG 4.48Å; C289-R291 PolarHBondContact O-N 2.86Å; R291-S293 PolarHBondContact O-N 3.47Å; R291-R308 VanDerWaalsContact O-CB 3.25Å; R291-R308 WeakPolarHBondContact O-CB 3.31Å
292	K	67.1	Low	63.4	Low	161 Å²	161	84.6 Å²	84.6	70%	0.7	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-56.3	124.8	171.5	-137.7	175.9	-174.2	178.5	0	109.6
293	S	63.1	Low	63.7	Low	35 Å²	35	80.9 Å²	80.9	25%	0.245	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-77.2	133.4	169.9	-175.1	0	0	0	0	109.2	R291 L295	R291-S293 PolarHBondContact O-N 3.47Å; S293-L295 PolarHBondContact OG-N 3.03Å
294	D	56.7	Low	64.3	Low	142 Å²	142	75 Å²	75	76%	0.759	39%	0.388	S	S	*	.	S	Bend	trans	-78.7	-7.6	172.4	-68.8	-37.3	0	0	0	112.3
295	L	55.1	Low	65.1	Low	78 Å²	78	71 Å²	71	41%	0.408	37%	0.366	S	S	.	.	S	Bend	trans	-81	124.7	177.5	-67.8	164.2	0	0	0	109.9	K283 E285 S293	K283-L295 WeakPolarHBondContact O-CD1 3.09Å; E285-L295 HydrophobicContact CG-CD1 3.39Å; S293-L295 PolarHBondContact OG-N 3.03Å
296	E	53.3	Low	65.9	Low	181 Å²	181	68.1 Å²	68.1	85%	0.846	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-64.7	129.7	166.7	-71.8	-161.6	161.9	0	0	108.9	D298	E296-D298 PolarHBondContact O-N 3.34Å
297	P	54.7	Low	66.3	Low	65 Å²	65	70.2 Å²	70.2	42%	0.422	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-60.6	132.9	178.4	-2.4	6.1	0	0	0	110.3	S299 D302 L303	P297-S299 PolarHBondContact O-N 2.99Å; P297-S299 VanDerWaalsContact O-N 3.1Å; P297-D302 HydrophobicContact CB-CB 4.41Å; P297-L303 HydrophobicContact CB-CB 4.08Å; P297-L303 HydrophobicContact CB-CD1 4.44Å; P297-L303 HydrophobicContact CG-CB 3.84Å; P297-L303 HydrophobicContact CG-CD1 3.41Å; P297-L303 VanDerWaalsContact CG-CD1 3.41Å; P297-L303 HydrophobicContact CG-CG 4.14Å
298	D	54.2	Low	66.2	Low	165 Å²	165	72.2 Å²	72.2	88%	0.882	37%	0.368	S	S	*	.	S	Bend	trans	-58.4	-25.7	177.9	-95.4	-16.9	0	0	0	112.2	E296	E296-D298 PolarHBondContact O-N 3.34Å
299	S	57.6	Low	65.8	Low	46 Å²	46	72.1 Å²	72.1	32%	0.322	37%	0.367	S	S	.	.	S	Bend	trans	-149.6	160.9	172.9	78.4	0	0	0	0	113.6	P297 L301 D302 L303	P297-S299 PolarHBondContact O-N 2.99Å; P297-S299 VanDerWaalsContact O-N 3.1Å; S299-L301 PolarHBondContact O-N 2.96Å; S299-L301 PolarHBondContact OG-N 2.79Å; S299-D302 WeakPolarHBondContact CB-OD2 3.48Å; S299-D302 PolarHBondContact N-OD2 3.1Å; S299-D302 VanDerWaalsContact N-OD2 3.11Å; S299-D302 PolarHBondContact O-N 2.54Å; S299-D302 VanDerWaalsContact O-N 3.12Å; S299-D302 PolarHBondContact OG-N 3.03Å; S299-D302 VanDerWaalsContact OG-N 3.13Å; S299-D302 PolarHBondContact OG-OD2 3.29Å; S299-L303 PolarHBondContact O-N 3.45Å; S299-L303 VanDerWaalsContact O-N 3.12Å
300	T	53.6	Low	65.3	Low	96 Å²	96	77.3 Å²	77.3	59%	0.589	40%	0.401	S	S	*	.	H	α-helix	trans	-61.2	-27.8	171.6	-17.8	0	0	0	0	111.9	L303 F304	T300-L303 PolarHBondContact O-N 3.1Å; T300-F304 HydrophobicContact CG2-CE2 3.82Å; T300-F304 HydrophobicContact CG2-CZ 3.83Å; T300-F304 WeakPolarHBondContact O-CD2 3.49Å; T300-F304 WeakPolarHBondContact O-CE2 3.24Å; T300-F304 VanDerWaalsContact O-CG 3.28Å; T300-F304 WeakPolarHBondContact O-CG 3.44Å; T300-F304 PolarHBondContact O-N 2.86Å; T300-F304 VanDerWaalsContact O-N 3.11Å
301	L	56.1	Low	65.3	Low	33 Å²	33	76.9 Å²	76.9	17%	0.173	40%	0.399	C	S	.	.	H	α-helix	trans	-68.7	-41.3	175.9	-179.1	59.9	0	0	0	110.3	S299 L303 F304 L305 Y322 M372 L377	S299-L301 PolarHBondContact O-N 2.96Å; S299-L301 PolarHBondContact OG-N 2.79Å; L301-L303 VanDerWaalsContact C-N 3.31Å; L301-L303 PolarHBondContact O-N 2.76Å; L301-F304 PolarHBondContact O-N 2.94Å; L301-F304 VanDerWaalsContact O-N 3.16Å; L301-L305 HydrophobicContact CD1-CD1 3.92Å; L301-L305 HydrophobicContact CD1-CG 4.06Å; L301-L305 HydrophobicContact CD2-CD1 4.49Å; L301-L305 HydrophobicContact CG-CD1 3.77Å; L301-L305 HydrophobicContact CG-CG 4.31Å; L301-L305 WeakPolarHBondContact O-CB 3.41Å; L301-L305 WeakPolarHBondContact O-CG 3.35Å; L301-L305 PolarHBondContact O-N 2.89Å; L301-Y322 HydrophobicContact CD2-CD1 3.88Å; L301-Y322 HydrophobicContact CD2-CD2 4.32Å; L301-Y322 HydrophobicContact CD2-CE1 3.91Å; L301-Y322 HydrophobicContact CD2-CE2 4.36Å; L301-Y322 HydrophobicContact CD2-CG 4.08Å; L301-M372 HydrophobicContact CD1-CE 3.75Å; L301-L377 HydrophobicContact CD1-CD2 3.99Å
302	D	58.6	Low	66	Low	69 Å²	69	71.7 Å²	71.7	37%	0.369	38%	0.379	S	S	.	.	H	α-helix	trans	-64.1	-39.1	175.6	-55.6	-44	0	0	0	111	P297 S299 F304 L305 D306	P297-D302 HydrophobicContact CB-CB 4.41Å; S299-D302 WeakPolarHBondContact CB-OD2 3.48Å; S299-D302 PolarHBondContact N-OD2 3.1Å; S299-D302 VanDerWaalsContact N-OD2 3.11Å; S299-D302 PolarHBondContact O-N 2.54Å; S299-D302 VanDerWaalsContact O-N 3.12Å; S299-D302 PolarHBondContact OG-N 3.03Å; S299-D302 VanDerWaalsContact OG-N 3.13Å; S299-D302 PolarHBondContact OG-OD2 3.29Å; D302-F304 VanDerWaalsContact C-N 3.3Å; D302-F304 PolarHBondContact O-N 3.18Å; D302-L305 PolarHBondContact O-N 3.34Å; D302-D306 PolarHBondContact O-N 3.21Å
303	L	54.3	Low	67.1	Low	71 Å²	71	64 Å²	64	37%	0.372	35%	0.346	S	S	.	.	H	α-helix	trans	-62.7	-34.3	174.1	-170	76.4	0	0	0	113	P297 S299 T300 L301 Y307	P297-L303 HydrophobicContact CB-CB 4.08Å; P297-L303 HydrophobicContact CB-CD1 4.44Å; P297-L303 HydrophobicContact CG-CB 3.84Å; P297-L303 HydrophobicContact CG-CD1 3.41Å; P297-L303 VanDerWaalsContact CG-CD1 3.41Å; P297-L303 HydrophobicContact CG-CG 4.14Å; S299-L303 PolarHBondContact O-N 3.45Å; S299-L303 VanDerWaalsContact O-N 3.12Å; T300-L303 PolarHBondContact O-N 3.1Å; L301-L303 VanDerWaalsContact C-N 3.31Å; L301-L303 PolarHBondContact O-N 2.76Å; L303-Y307 HydrophobicContact CD1-CD2 4.28Å
304	F	58.2	Low	68.5	Low	46 Å²	46	63 Å²	63	20%	0.202	34%	0.339	C	S	.	.	H	α-helix	trans	-77.1	-31	177.1	-64.6	-45.3	0	0	0	112.8	T300 L301 D302 F352 N353	T300-F304 HydrophobicContact CG2-CE2 3.82Å; T300-F304 HydrophobicContact CG2-CZ 3.83Å; T300-F304 WeakPolarHBondContact O-CD2 3.49Å; T300-F304 WeakPolarHBondContact O-CE2 3.24Å; T300-F304 VanDerWaalsContact O-CG 3.28Å; T300-F304 WeakPolarHBondContact O-CG 3.44Å; T300-F304 PolarHBondContact O-N 2.86Å; T300-F304 VanDerWaalsContact O-N 3.11Å; L301-F304 PolarHBondContact O-N 2.94Å; L301-F304 VanDerWaalsContact O-N 3.16Å; D302-F304 VanDerWaalsContact C-N 3.3Å; D302-F304 PolarHBondContact O-N 3.18Å; F304-F352 HydrophobicContact CB-CE1 3.93Å; F304-F352 HydrophobicContact CB-CE2 4.17Å; F304-F352 HydrophobicContact CB-CZ 3.66Å; F304-F352 HydrophobicContact CG-CE1 4.5Å; F304-F352 WeakPolarHBondContact O-CD2 3.49Å; F304-F352 WeakPolarHBondContact O-CE2 3.36Å; F304-N353 HydrophobicContact CD1-CB 3.91Å; F304-N353 HydrophobicContact CE1-CB 3.73Å; F304-N353 VanDerWaalsContact CE1-OD1 3.27Å; F304-N353 WeakPolarHBondContact CE1-OD1 3.27Å; F304-N353 HydrophobicContact CE2-CB 4.42Å; F304-N353 HydrophobicContact CG-CB 4.35Å; F304-N353 HydrophobicContact CZ-CB 4.01Å; F304-N353 WeakPolarHBondContact CZ-OD1 3.25Å
305	L	69.7	Low	70.3	Confident	14 Å²	14	56.3 Å²	56.3	7%	0.073	30%	0.303	C	S	.	.	H	α-helix	trans	-84.5	-40.4	-176	-71	177.3	0	0	0	112.3	L301 D302 I320 M336 H338 F352 I379	L301-L305 HydrophobicContact CD1-CD1 3.92Å; L301-L305 HydrophobicContact CD1-CG 4.06Å; L301-L305 HydrophobicContact CD2-CD1 4.49Å; L301-L305 HydrophobicContact CG-CD1 3.77Å; L301-L305 HydrophobicContact CG-CG 4.31Å; L301-L305 WeakPolarHBondContact O-CB 3.41Å; L301-L305 WeakPolarHBondContact O-CG 3.35Å; L301-L305 PolarHBondContact O-N 2.89Å; D302-L305 PolarHBondContact O-N 3.34Å; L305-I320 HydrophobicContact CD2-CD1 4.34Å; L305-I320 HydrophobicContact CD2-CG2 4.38Å; L305-M336 HydrophobicContact CB-CE 3.84Å; L305-M336 HydrophobicContact CB-SD 3.78Å; L305-M336 VanDerWaalsContact O-CB 3.26Å; L305-M336 WeakPolarHBondContact O-CB 3.27Å; L305-H338 PolarHBondContact O-CE1 3.06Å; L305-F352 HydrophobicContact CD2-CE2 4.25Å; L305-F352 HydrophobicContact CD2-CZ 4.14Å; L305-I379 HydrophobicContact CD2-CD1 3.24Å; L305-I379 HydrophobicContact CD2-CG1 4.4Å
306	D	80.1	Confident	72	Confident	41 Å²	41	55 Å²	55	22%	0.219	30%	0.295	C	S	.	.	S	Bend	trans	-138.9	84.3	-172.9	-167.4	19.4	0	0	0	110.7	D302 R308 M336 C337	D302-D306 PolarHBondContact O-N 3.21Å; D306-R308 IonicContact OD1-CZ 3.5Å; D306-R308 IonicContact OD1-NH1 2.79Å; D306-R308 PolarHBondContact OD1-NH1 3.26Å; D306-R308 IonicContact OD1-NH2 3.18Å; D306-R308 PolarHBondContact OD1-NH2 3.07Å; D306-R308 IonicContact OD2-CZ 2.75Å; D306-R308 IonicContact OD2-NH1 3.84Å; D306-R308 PolarHBondContact OD2-NH1 2.68Å; D306-R308 IonicContact OD2-NH2 3.09Å; D306-R308 PolarHBondContact OD2-NH2 3.37Å; D306-M336 HydrophobicContact CB-CB 4.34Å; D306-M336 HydrophobicContact CB-CE 4.25Å; D306-C337 CarbonylContact C-O 3.51Å; D306-C337 WeakPolarHBondContact CA-O 3.32Å; D306-C337 WeakPolarHBondContact OD1-CB 3.39Å; D306-C337 PolarHBondContact OD1-N 3.39Å
307	Y	81.3	Confident	73.7	Confident	53 Å²	53	46.4 Å²	46.4	21%	0.208	26%	0.255	C	S	.	.			trans	-97	123.2	178.1	174.9	-101.8	0	0	0	110.9	L303 D311 S312 C337 K339	L303-Y307 HydrophobicContact CD1-CD2 4.28Å; Y307-D311 VanDerWaalsContact CE1-OD1 3.26Å; Y307-D311 WeakPolarHBondContact CE1-OD1 3.48Å; Y307-D311 PolarHBondContact OH-OD1 2.93Å; Y307-S312 VanDerWaalsContact O-CB 3.22Å; Y307-S312 WeakPolarHBondContact O-CB 3.29Å; Y307-S312 PolarHBondContact O-OG 2.77Å; Y307-C337 PolarHBondContact N-O 2.61Å; Y307-C337 CarbonylContact O-C 3.53Å; Y307-C337 WeakPolarHBondContact O-CB 3.49Å; Y307-K339 HydrophobicContact CD1-CB 3.59Å; Y307-K339 HydrophobicContact CD1-CD 4.24Å; Y307-K339 HydrophobicContact CD1-CG 3.92Å; Y307-K339 HydrophobicContact CE1-CB 4.14Å; Y307-K339 HydrophobicContact CE1-CD 4.06Å; Y307-K339 HydrophobicContact CE1-CG 3.92Å; Y307-K339 HydrophobicContact CG-CB 4.26Å
308	R	82.8	Confident	75.2	Confident	46 Å²	46	47 Å²	47	17%	0.174	25%	0.252	C	S	.	.			trans	-110.9	121.8	173.7	-58.6	-179.7	177.6	63.5	12.1	111.1	S286 C289 R291 D306 C337	S286-R308 WeakPolarHBondContact O-CD 3.2Å; S286-R308 PolarHBondContact O-NE 3.31Å; C289-R308 CarbonylContact O-C 3.59Å; C289-R308 VanDerWaalsContact O-CA 3.24Å; C289-R308 WeakPolarHBondContact O-CA 3.27Å; R291-R308 VanDerWaalsContact O-CB 3.25Å; R291-R308 WeakPolarHBondContact O-CB 3.31Å; D306-R308 IonicContact OD1-CZ 3.5Å; D306-R308 IonicContact OD1-NH1 2.79Å; D306-R308 PolarHBondContact OD1-NH1 3.26Å; D306-R308 IonicContact OD1-NH2 3.18Å; D306-R308 PolarHBondContact OD1-NH2 3.07Å; D306-R308 IonicContact OD2-CZ 2.75Å; D306-R308 IonicContact OD2-NH1 3.84Å; D306-R308 PolarHBondContact OD2-NH1 2.68Å; D306-R308 IonicContact OD2-NH2 3.09Å; D306-R308 PolarHBondContact OD2-NH2 3.37Å; R308-C337 HydrophobicContact CG-CB 4.13Å
309	G	79.3	Confident	76.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	178.7	168.4	-176.6	0	0	0	0	0	111.7	C289 D290 D311 S312	C289-G309 PolarHBondContact O-N 3.02Å; D290-G309 VanDerWaalsContact CA-O 3.3Å; D290-G309 WeakPolarHBondContact CA-O 3.3Å; D290-G309 CarbonylContact O-C 3.58Å; G309-D311 PolarHBondContact O-N 3.42Å; G309-S312 PolarHBondContact N-OG 2.9Å; G309-S312 WeakPolarHBondContact O-CB 3.11Å; G309-S312 PolarHBondContact O-N 3.23Å; G309-S312 PolarHBondContact O-OG 2.93Å
310	P	77.4	Confident	78.2	Confident	110 Å²	110	39.7 Å²	39.7	71%	0.714	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.8	-172	24.6	-35	0	0	0	114.3
311	D	83	Confident	79.8	Confident	53 Å²	53	38.2 Å²	38.2	28%	0.283	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	30.9	177.4	54.8	-16.6	0	0	0	112.4	Y307 G309 K339 F340	Y307-D311 VanDerWaalsContact CE1-OD1 3.26Å; Y307-D311 WeakPolarHBondContact CE1-OD1 3.48Å; Y307-D311 PolarHBondContact OH-OD1 2.93Å; G309-D311 PolarHBondContact O-N 3.42Å; D311-K339 CarbonylContact O-C 3.59Å; D311-K339 WeakPolarHBondContact O-CA 2.92Å; D311-K339 WeakPolarHBondContact O-CG 3.42Å; D311-K339 IonicContact OD1-NZ 3.38Å; D311-K339 WeakPolarHBondContact OD2-CE 3.33Å; D311-K339 IonicContact OD2-NZ 3.02Å; D311-K339 PolarHBondContact OD2-NZ 3.18Å; D311-F340 PolarHBondContact O-N 2.03Å
312	S	89.1	Confident	81.1	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.007	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	151.1	176.7	76.1	0	0	0	0	112.2	N229 C289 Y307 G309 H338	N229-S312 PolarHBondContact ND2-O 3.06Å; C289-S312 PolarHBondContact O-OG 3.29Å; Y307-S312 VanDerWaalsContact O-CB 3.22Å; Y307-S312 WeakPolarHBondContact O-CB 3.29Å; Y307-S312 PolarHBondContact O-OG 2.77Å; G309-S312 PolarHBondContact N-OG 2.9Å; G309-S312 WeakPolarHBondContact O-CB 3.11Å; G309-S312 PolarHBondContact O-N 3.23Å; G309-S312 PolarHBondContact O-OG 2.93Å; S312-H338 CarbonylContact C-O 3.4Å; S312-H338 VanDerWaalsContact CA-O 3.24Å; S312-H338 WeakPolarHBondContact CA-O 3.46Å; S312-H338 WeakPolarHBondContact CB-O 3.26Å
313	A	91.2	Very high	82.3	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	160.8	175	0	0	0	0	0	111	N229 F315 C337 H338 F340 L389	N229-A313 VanDerWaalsContact OD1-CA 3.22Å; N229-A313 WeakPolarHBondContact OD1-CA 3.01Å; A313-F315 HydrophobicContact CB-CE2 3.79Å; A313-F315 HydrophobicContact CB-CZ 4.37Å; A313-F315 WeakPolarHBondContact O-CD2 3.45Å; A313-F315 WeakPolarHBondContact O-CE2 3.44Å; A313-C337 CarbonylContact O-C 3.48Å; A313-C337 WeakPolarHBondContact O-CA 3.06Å; A313-H338 PolarHBondContact N-O 3.19Å; A313-H338 PolarHBondContact O-N 2.9Å; A313-F340 HydrophobicContact CB-CD1 3.73Å; A313-F340 HydrophobicContact CB-CE1 3.53Å; A313-F340 HydrophobicContact CB-CZ 4.26Å; A313-L389 HydrophobicContact CB-CD1 3.98Å; A313-L389 HydrophobicContact CB-CD2 3.56Å; A313-L389 HydrophobicContact CB-CG 4.44Å
314	C	92.9	Very high	83.5	Confident	13 Å²	13	35.6 Å²	35.6	9%	0.088	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	129.7	174.1	-175.1	0	0	0	0	110.9	C224 N229 C289 T335	C224-C314 WeakPolarHBondContact CA-SG 3.4Å; C224-C314 HydrophobicContact CB-CB 3.73Å; C224-C314 WeakPolarHBondContact CB-SG 3.17Å; C224-C314 WeakPolarHBondContact SG-CB 3.49Å; C224-C314 PolarHBondContact SG-O 3.18Å; C224-C314 VanDerWaalsContact SG-O 3.34Å; C224-C314 CovalentContact SG-SG 2.04Å; C224-C314 PolarHBondContact SG-SG 2.71Å; N229-C314 PolarHBondContact OD1-N 3.45Å; C289-C314 PolarHBondContact SG-N 2.85Å; C289-C314 VanDerWaalsContact SG-N 3.42Å; C314-T335 WeakPolarHBondContact SG-CG2 3.19Å
315	F	93.2	Very high	84.6	Confident	1 Å²	1	36.9 Å²	36.9	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	154.9	169.9	-58.8	-109.2	0	0	0	111	C224 A313 M336 H338 F340 V348 V350 I381 P384 L389	C224-F315 VanDerWaalsContact SG-C 3.6Å; C224-F315 PolarHBondContact SG-N 3.36Å; C224-F315 VanDerWaalsContact SG-N 3.4Å; A313-F315 HydrophobicContact CB-CE2 3.79Å; A313-F315 HydrophobicContact CB-CZ 4.37Å; A313-F315 WeakPolarHBondContact O-CD2 3.45Å; A313-F315 WeakPolarHBondContact O-CE2 3.44Å; F315-M336 PolarHBondContact N-O 2.99Å; F315-M336 PolarHBondContact O-N 3.28Å; F315-H338 HydrophobicContact CD2-CB 3.6Å; F315-H338 AromaticContact CD2-CD2 3.97Å; F315-H338 HydrophobicContact CE2-CB 3.85Å; F315-H338 HydrophobicContact CG-CB 4.38Å; F315-F340 HydrophobicContact CE2-CB 4.5Å; F315-F340 HydrophobicContact CZ-CB 4.14Å; F315-F340 HydrophobicContact CZ-CG 4.47Å; F315-V348 HydrophobicContact CE1-CG1 4.3Å; F315-V348 HydrophobicContact CZ-CG1 4.26Å; F315-V350 HydrophobicContact CD1-CG2 4.46Å; F315-V350 HydrophobicContact CE1-CG2 3.82Å; F315-V350 HydrophobicContact CZ-CG2 4.03Å; F315-I381 HydrophobicContact CB-CG2 3.76Å; F315-I381 HydrophobicContact CD1-CG2 3.81Å; F315-I381 HydrophobicContact CG-CG2 4.06Å; F315-P384 HydrophobicContact CD1-CG 4.43Å; F315-P384 VanDerWaalsContact CE1-CD 3.43Å; F315-P384 HydrophobicContact CE1-CG 4.13Å; F315-L389 HydrophobicContact CE1-CD1 4.02Å; F315-L389 HydrophobicContact CE2-CD1 4.38Å; F315-L389 HydrophobicContact CZ-CD1 3.6Å
316	M	91.6	Very high	85	Confident	50 Å²	50	42 Å²	42	25%	0.246	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	122.8	171	-63.3	-66.8	-58.5	0	0	108.8	K223 T335 Q382	K223-M316 HydrophobicContact CB-SD 4.23Å; K223-M316 HydrophobicContact CG-CE 4.11Å; K223-M316 HydrophobicContact CG-SD 4.27Å; M316-T335 HydrophobicContact SD-CG2 3.89Å; M316-T335 PolarHBondContact SD-OG1 3.47Å; M316-Q382 HydrophobicContact CB-CB 4.12Å; M316-Q382 WeakPolarHBondContact O-CA 3.3Å; M316-Q382 VanDerWaalsContact O-CB 3.24Å; M316-Q382 WeakPolarHBondContact O-CB 3.49Å; M316-Q382 PolarHBondContact O-N 3.23Å
317	D	87.8	Confident	85	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	112	175.1	-61.9	-44.3	0	0	0	109.4	I320 N333 T334 M336 H338 N380 I381	D317-I320 HydrophobicContact CB-CD1 4.13Å; D317-I320 HydrophobicContact CB-CG1 4.08Å; D317-N333 CarbonylContact O-C 3.52Å; D317-N333 VanDerWaalsContact O-CA 3.26Å; D317-N333 WeakPolarHBondContact O-CA 2.96Å; D317-N333 PolarHBondContact O-N 2.7Å; D317-T334 WeakPolarHBondContact CB-OG1 3.43Å; D317-T334 PolarHBondContact N-O 3.3Å; D317-T334 PolarHBondContact O-N 3.02Å; D317-M336 WeakPolarHBondContact OD2-CB 3.45Å; D317-M336 WeakPolarHBondContact OD2-CG 3.16Å; D317-H338 IonicContact OD1-CD2 3.47Å; D317-H338 IonicContact OD1-CE1 3.63Å; D317-H338 IonicContact OD1-NE2 3.82Å; D317-H338 PolarHBondContact OD1-NE2 3.44Å; D317-H338 VanDerWaalsContact OD1-NE2 3.1Å; D317-H338 IonicContact OD2-CE1 3.57Å; D317-H338 IonicContact OD2-NE2 3.62Å; D317-H338 PolarHBondContact OD2-NE2 3.32Å; D317-N380 CarbonylContact C-O 3.58Å; D317-N380 WeakPolarHBondContact CA-O 3.43Å; D317-I381 WeakPolarHBondContact OD1-CG1 3.49Å
318	E	87.6	Confident	85	Confident	78 Å²	78	48.8 Å²	48.8	36%	0.364	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	-46.2	-177.7	-172.5	-167.4	-155	0	0	110.6	K332 N333 N380	E318-K332 VanDerWaalsContact O-CA 3.26Å; E318-K332 WeakPolarHBondContact O-CA 3.22Å; E318-N333 PolarHBondContact O-N 3.28Å; E318-N380 HydrophobicContact CB-CB 4.02Å; E318-N380 PolarHBondContact N-O 3.07Å; E318-N380 PolarHBondContact OE2-ND2 3.32Å
319	T	88.5	Confident	85	Confident	42 Å²	42	52.6 Å²	52.6	26%	0.258	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	136.8	177.2	64.3	0	0	0	0	111.2	A331 K332 I379 N380	T319-A331 WeakPolarHBondContact CA-O 3.37Å; T319-K332 HydrophobicContact CG2-CG 4.31Å; T319-I379 CarbonylContact O-C 3.54Å; T319-I379 WeakPolarHBondContact O-CA 3.42Å; T319-N380 PolarHBondContact O-N 3.41Å; T319-N380 VanDerWaalsContact OG1-CG 3.31Å; T319-N380 PolarHBondContact OG1-ND2 3.36Å
320	I	86.7	Confident	85.2	Confident	15 Å²	15	57.5 Å²	57.5	8%	0.077	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.7	168.3	-55.7	176.7	0	0	0	106.9	L305 D317 T330 A331 T334 M336 L377 A378 I379	L305-I320 HydrophobicContact CD2-CD1 4.34Å; L305-I320 HydrophobicContact CD2-CG2 4.38Å; D317-I320 HydrophobicContact CB-CD1 4.13Å; D317-I320 HydrophobicContact CB-CG1 4.08Å; I320-T330 CarbonylContact O-C 3.57Å; I320-T330 WeakPolarHBondContact O-CA 3.49Å; I320-A331 HydrophobicContact CB-CB 4.32Å; I320-A331 PolarHBondContact N-O 2.61Å; I320-A331 PolarHBondContact O-N 2.92Å; I320-T334 WeakPolarHBondContact CD1-OG1 3.27Å; I320-M336 HydrophobicContact CD1-SD 3.75Å; I320-L377 HydrophobicContact CG2-CD1 4.11Å; I320-A378 CarbonylContact C-O 3.44Å; I320-I379 HydrophobicContact CB-CG1 4.4Å; I320-I379 HydrophobicContact CG1-CG1 4.19Å; I320-I379 HydrophobicContact CG2-CD1 4.45Å; I320-I379 HydrophobicContact CG2-CG1 4.04Å
321	E	87.3	Confident	85.5	Confident	65 Å²	65	54 Å²	54	30%	0.304	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	116.5	174	-178.9	-177.3	-165.8	0	0	109.3	V323 I328 Y329 T330 L377 A378	E321-V323 HydrophobicContact CG-CG2 4.33Å; E321-I328 HydrophobicContact CG-CG2 4.38Å; E321-Y329 CarbonylContact C-O 3.56Å; E321-Y329 WeakPolarHBondContact CA-O 3.17Å; E321-T330 HydrophobicContact CB-CG2 4.02Å; E321-T330 HydrophobicContact CG-CG2 3.89Å; E321-L377 CarbonylContact O-C 3.58Å; E321-L377 WeakPolarHBondContact O-CA 3.22Å; E321-A378 HydrophobicContact CB-CB 4.32Å; E321-A378 PolarHBondContact N-O 3.09Å; E321-A378 PolarHBondContact O-N 2.84Å
322	Y	82.8	Confident	85.7	Confident	43 Å²	43	59.2 Å²	59.2	17%	0.169	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	118.8	175.9	177.2	-119.3	0	0	0	110.9	L301 S324 Y329 M372 K374 Y376 L377	L301-Y322 HydrophobicContact CD2-CD1 3.88Å; L301-Y322 HydrophobicContact CD2-CD2 4.32Å; L301-Y322 HydrophobicContact CD2-CE1 3.91Å; L301-Y322 HydrophobicContact CD2-CE2 4.36Å; L301-Y322 HydrophobicContact CD2-CG 4.08Å; Y322-S324 PolarHBondContact OH-OG 3.48Å; Y322-Y329 AromaticContact CD1-CD2 3.93Å; Y322-Y329 HydrophobicContact CD1-CD2 3.93Å; Y322-Y329 PolarHBondContact N-O 3.13Å; Y322-Y329 PolarHBondContact O-N 3.13Å; Y322-M372 HydrophobicContact CD2-CE 4.36Å; Y322-M372 HydrophobicContact CE2-CE 3.74Å; Y322-K374 PolarHBondContact OH-O 3.04Å; Y322-Y376 CarbonylContact C-O 3.49Å; Y322-Y376 WeakPolarHBondContact CA-O 3.45Å; Y322-Y376 WeakPolarHBondContact CD2-O 3.09Å; Y322-L377 HydrophobicContact CD2-CB 4.38Å; Y322-L377 HydrophobicContact CD2-CD1 4.34Å
323	V	82.6	Confident	85.6	Confident	35 Å²	35	64.9 Å²	64.9	21%	0.212	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118.6	178	-174.8	0	0	0	0	108.9	E321 K327 I328 G375 Y376	E321-V323 HydrophobicContact CG-CG2 4.33Å; V323-K327 CarbonylContact C-O 3.6Å; V323-K327 WeakPolarHBondContact CA-O 3.49Å; V323-I328 HydrophobicContact CG1-CG1 4.24Å; V323-I328 HydrophobicContact CG2-CG1 4.18Å; V323-I328 HydrophobicContact CG2-CG2 4.34Å; V323-G375 CarbonylContact O-C 3.37Å; V323-G375 WeakPolarHBondContact O-CA 3.29Å; V323-Y376 HydrophobicContact CG2-CD1 4.45Å; V323-Y376 PolarHBondContact N-O 2.73Å; V323-Y376 PolarHBondContact O-N 3.25Å
324	S	80.1	Confident	85.4	Confident	41 Å²	41	66.5 Å²	66.5	29%	0.287	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	104.4	173.9	-162.8	0	0	0	0	110.4	Y322 S326 K327 K374	Y322-S324 PolarHBondContact OH-OG 3.48Å; S324-S326 PolarHBondContact O-N 2.89Å; S324-K327 PolarHBondContact N-O 3.07Å; S324-K327 PolarHBondContact O-N 3.43Å; S324-K327 VanDerWaalsContact O-N 3.11Å; S324-K374 PolarHBondContact OG-O 3.26Å
325	G	80.6	Confident	85.3	Confident	73 Å²	73	66.4 Å²	66.4	75%	0.753	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	-117.8	-172.3	0	0	0	0	0	111.2
326	S	79.3	Confident	85.1	Confident	121 Å²	121	68 Å²	68	85%	0.846	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-2.9	176.3	55.8	0	0	0	0	114.3	S324	S324-S326 PolarHBondContact O-N 2.89Å
327	K	79.5	Confident	85	Confident	128 Å²	128	65.7 Å²	65.7	56%	0.557	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	131.3	180	-63.2	-175.8	179.8	-179.2	0	110.1	V323 S324 Y329	V323-K327 CarbonylContact C-O 3.6Å; V323-K327 WeakPolarHBondContact CA-O 3.49Å; S324-K327 PolarHBondContact N-O 3.07Å; S324-K327 PolarHBondContact O-N 3.43Å; S324-K327 VanDerWaalsContact O-N 3.11Å; K327-Y329 HydrophobicContact CB-CD2 4.45Å; K327-Y329 HydrophobicContact CB-CE2 3.76Å; K327-Y329 HydrophobicContact CD-CE2 4.26Å
328	I	82.1	Confident	85.1	Confident	108 Å²	108	65.7 Å²	65.7	55%	0.554	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.7	174.4	-55.9	175.3	0	0	0	107	E321 V323 T330	E321-I328 HydrophobicContact CG-CG2 4.38Å; V323-I328 HydrophobicContact CG1-CG1 4.24Å; V323-I328 HydrophobicContact CG2-CG1 4.18Å; V323-I328 HydrophobicContact CG2-CG2 4.34Å; I328-T330 HydrophobicContact CG2-CG2 4.31Å
329	Y	82.6	Confident	85.3	Confident	126 Å²	126	65 Å²	65	49%	0.494	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125.2	173.8	-63.3	-89.9	0	0	0	107.8	E321 Y322 K327	E321-Y329 CarbonylContact C-O 3.56Å; E321-Y329 WeakPolarHBondContact CA-O 3.17Å; Y322-Y329 AromaticContact CD1-CD2 3.93Å; Y322-Y329 HydrophobicContact CD1-CD2 3.93Å; Y322-Y329 PolarHBondContact N-O 3.13Å; Y322-Y329 PolarHBondContact O-N 3.13Å; K327-Y329 HydrophobicContact CB-CD2 4.45Å; K327-Y329 HydrophobicContact CB-CE2 3.76Å; K327-Y329 HydrophobicContact CD-CE2 4.26Å
330	T	83.5	Confident	85.3	Confident	104 Å²	104	64.4 Å²	64.4	64%	0.638	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.3	176.8	39.8	0	0	0	0	110.4	I320 E321 I328	I320-T330 CarbonylContact O-C 3.57Å; I320-T330 WeakPolarHBondContact O-CA 3.49Å; E321-T330 HydrophobicContact CB-CG2 4.02Å; E321-T330 HydrophobicContact CG-CG2 3.89Å; I328-T330 HydrophobicContact CG2-CG2 4.31Å
331	A	84.6	Confident	85.2	Confident	37 Å²	37	67.5 Å²	67.5	31%	0.306	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	152.1	169.2	0	0	0	0	0	109.4	T319 I320 T334	T319-A331 WeakPolarHBondContact CA-O 3.37Å; I320-A331 HydrophobicContact CB-CB 4.32Å; I320-A331 PolarHBondContact N-O 2.61Å; I320-A331 PolarHBondContact O-N 2.92Å; A331-T334 HydrophobicContact CB-CG2 3.66Å
332	K	86.4	Confident	84.9	Confident	161 Å²	161	67.2 Å²	67.2	70%	0.7	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	147.1	177.4	-64.1	-168.6	176.8	-172.6	0	109.6	E318 T319 T334	E318-K332 VanDerWaalsContact O-CA 3.26Å; E318-K332 WeakPolarHBondContact O-CA 3.22Å; T319-K332 HydrophobicContact CG2-CG 4.31Å; K332-T334 PolarHBondContact O-N 2.9Å
333	N	85.9	Confident	84.3	Confident	120 Å²	120	66.4 Å²	66.4	64%	0.642	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.5	44.4	178.8	-57.7	-24.5	0	0	0	112.2	D317 E318	D317-N333 CarbonylContact O-C 3.52Å; D317-N333 VanDerWaalsContact O-CA 3.26Å; D317-N333 WeakPolarHBondContact O-CA 2.96Å; D317-N333 PolarHBondContact O-N 2.7Å; E318-N333 PolarHBondContact O-N 3.28Å
334	T	87.6	Confident	83.2	Confident	35 Å²	35	71.4 Å²	71.4	22%	0.215	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	149.4	175.2	40.2	0	0	0	0	109.6	D317 I320 A331 K332	D317-T334 WeakPolarHBondContact CB-OG1 3.43Å; D317-T334 PolarHBondContact N-O 3.3Å; D317-T334 PolarHBondContact O-N 3.02Å; I320-T334 WeakPolarHBondContact CD1-OG1 3.27Å; A331-T334 HydrophobicContact CB-CG2 3.66Å; K332-T334 PolarHBondContact O-N 2.9Å
335	T	90.4	Very high	82.1	Confident	10 Å²	10	73.3 Å²	73.3	6%	0.061	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.6	174.4	-51.3	0	0	0	0	107.6	Q222 I231 C314 M316	Q222-T335 VanDerWaalsContact C-OG1 3.22Å; Q222-T335 PolarHBondContact O-OG1 2.84Å; I231-T335 HydrophobicContact CB-CG2 4.37Å; I231-T335 HydrophobicContact CD1-CG2 4.36Å; I231-T335 HydrophobicContact CG1-CG2 3.93Å; I231-T335 HydrophobicContact CG2-CG2 3.91Å; C314-T335 WeakPolarHBondContact SG-CG2 3.19Å; M316-T335 HydrophobicContact SD-CG2 3.89Å; M316-T335 PolarHBondContact SD-OG1 3.47Å
336	M	89.5	Confident	81.3	Confident	36 Å²	36	73.9 Å²	73.9	18%	0.177	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	155.3	-176	-59.9	-174.7	127.4	0	0	110.8	L305 D306 F315 D317 I320	L305-M336 HydrophobicContact CB-CE 3.84Å; L305-M336 HydrophobicContact CB-SD 3.78Å; L305-M336 VanDerWaalsContact O-CB 3.26Å; L305-M336 WeakPolarHBondContact O-CB 3.27Å; D306-M336 HydrophobicContact CB-CB 4.34Å; D306-M336 HydrophobicContact CB-CE 4.25Å; F315-M336 PolarHBondContact N-O 2.99Å; F315-M336 PolarHBondContact O-N 3.28Å; D317-M336 WeakPolarHBondContact OD2-CB 3.45Å; D317-M336 WeakPolarHBondContact OD2-CG 3.16Å; I320-M336 HydrophobicContact CD1-SD 3.75Å
337	C	90.4	Very high	80.9	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	119.1	171.6	-60.6	0	0	0	0	109	C289 D306 Y307 R308 A313	C289-C337 WeakPolarHBondContact CA-SG 2.98Å; C289-C337 HydrophobicContact CB-CB 3.61Å; C289-C337 WeakPolarHBondContact CB-SG 3.49Å; C289-C337 WeakPolarHBondContact SG-CB 3.41Å; C289-C337 CovalentContact SG-SG 2.04Å; C289-C337 PolarHBondContact SG-SG 2.75Å; D306-C337 CarbonylContact C-O 3.51Å; D306-C337 WeakPolarHBondContact CA-O 3.32Å; D306-C337 WeakPolarHBondContact OD1-CB 3.39Å; D306-C337 PolarHBondContact OD1-N 3.39Å; Y307-C337 PolarHBondContact N-O 2.61Å; Y307-C337 CarbonylContact O-C 3.53Å; Y307-C337 WeakPolarHBondContact O-CB 3.49Å; R308-C337 HydrophobicContact CG-CB 4.13Å; A313-C337 CarbonylContact O-C 3.48Å; A313-C337 WeakPolarHBondContact O-CA 3.06Å
338	H	90.2	Very high	81.1	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.009	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	142.1	175.4	-67.1	-93.5	0	0	0	110.2	L305 S312 A313 F315 D317 V350	L305-H338 PolarHBondContact O-CE1 3.06Å; S312-H338 CarbonylContact C-O 3.4Å; S312-H338 VanDerWaalsContact CA-O 3.24Å; S312-H338 WeakPolarHBondContact CA-O 3.46Å; S312-H338 WeakPolarHBondContact CB-O 3.26Å; A313-H338 PolarHBondContact N-O 3.19Å; A313-H338 PolarHBondContact O-N 2.9Å; F315-H338 HydrophobicContact CD2-CB 3.6Å; F315-H338 AromaticContact CD2-CD2 3.97Å; F315-H338 HydrophobicContact CE2-CB 3.85Å; F315-H338 HydrophobicContact CG-CB 4.38Å; D317-H338 IonicContact OD1-CD2 3.47Å; D317-H338 IonicContact OD1-CE1 3.63Å; D317-H338 IonicContact OD1-NE2 3.82Å; D317-H338 PolarHBondContact OD1-NE2 3.44Å; D317-H338 VanDerWaalsContact OD1-NE2 3.1Å; D317-H338 IonicContact OD2-CE1 3.57Å; D317-H338 IonicContact OD2-NE2 3.62Å; D317-H338 PolarHBondContact OD2-NE2 3.32Å; H338-V350 HydrophobicContact CB-CG1 3.99Å
339	K	89.9	Confident	81.4	Confident	62 Å²	62	58 Å²	58	27%	0.27	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	137.2	170.8	-166	178.3	173.1	120.3	0	109.2	Y307 D311 I351	Y307-K339 HydrophobicContact CD1-CB 3.59Å; Y307-K339 HydrophobicContact CD1-CD 4.24Å; Y307-K339 HydrophobicContact CD1-CG 3.92Å; Y307-K339 HydrophobicContact CE1-CB 4.14Å; Y307-K339 HydrophobicContact CE1-CD 4.06Å; Y307-K339 HydrophobicContact CE1-CG 3.92Å; Y307-K339 HydrophobicContact CG-CB 4.26Å; D311-K339 CarbonylContact O-C 3.59Å; D311-K339 WeakPolarHBondContact O-CA 2.92Å; D311-K339 WeakPolarHBondContact O-CG 3.42Å; D311-K339 IonicContact OD1-NZ 3.38Å; D311-K339 WeakPolarHBondContact OD2-CE 3.33Å; D311-K339 IonicContact OD2-NZ 3.02Å; D311-K339 PolarHBondContact OD2-NZ 3.18Å; K339-I351 HydrophobicContact CB-CB 4.13Å; K339-I351 HydrophobicContact CD-CB 4.25Å; K339-I351 HydrophobicContact CD-CD1 4.18Å; K339-I351 HydrophobicContact CD-CG2 4.14Å; K339-I351 HydrophobicContact CG-CB 4.15Å; K339-I351 HydrophobicContact CG-CD1 3.98Å; K339-I351 PolarHBondContact O-N 3.22Å
340	F	89.9	Confident	81.7	Confident	30 Å²	30	52 Å²	52	13%	0.132	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	165.4	179.4	79.7	-73.8	0	0	0	111.3	D311 A313 F315 V348 E349 L389	D311-F340 PolarHBondContact O-N 2.03Å; A313-F340 HydrophobicContact CB-CD1 3.73Å; A313-F340 HydrophobicContact CB-CE1 3.53Å; A313-F340 HydrophobicContact CB-CZ 4.26Å; F315-F340 HydrophobicContact CE2-CB 4.5Å; F315-F340 HydrophobicContact CZ-CB 4.14Å; F315-F340 HydrophobicContact CZ-CG 4.47Å; F340-V348 HydrophobicContact CB-CG1 4.36Å; F340-V348 HydrophobicContact CD2-CG1 4.23Å; F340-E349 CarbonylContact C-O 3.3Å; F340-E349 WeakPolarHBondContact CA-O 3.49Å; F340-E349 WeakPolarHBondContact CB-O 3.45Å; F340-L389 HydrophobicContact CD2-CD1 4.31Å; F340-L389 HydrophobicContact CE2-CB 3.95Å; F340-L389 HydrophobicContact CE2-CD1 4.33Å; F340-L389 HydrophobicContact CZ-CB 4.35Å
341	Q	85	Confident	81.8	Confident	81 Å²	81	48.7 Å²	48.7	38%	0.379	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	157	165.9	66	-179.9	28.5	0	0	110.1	E349 I351 L356	Q341-E349 HydrophobicContact CG-CB 3.91Å; Q341-E349 PolarHBondContact N-O 2.98Å; Q341-E349 PolarHBondContact NE2-OE2 2.79Å; Q341-E349 PolarHBondContact O-N 3.47Å; Q341-I351 HydrophobicContact CB-CD1 4.21Å; Q341-I351 HydrophobicContact CG-CD1 4.28Å; Q341-L356 HydrophobicContact CG-CD2 3.94Å
342	C	79.3	Confident	81.6	Confident	59 Å²	59	47 Å²	47	40%	0.399	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	110.2	172.6	-68.8	0	0	0	0	109.5	G347 C390	C342-G347 CarbonylContact C-O 3.6Å; C342-C390 VanDerWaalsContact CA-SG 3.53Å; C342-C390 HydrophobicContact CB-CB 3.83Å; C342-C390 WeakPolarHBondContact CB-SG 3.37Å; C342-C390 WeakPolarHBondContact SG-CA 3.45Å; C342-C390 WeakPolarHBondContact SG-CB 3.43Å; C342-C390 CovalentContact SG-SG 2.03Å; C342-C390 PolarHBondContact SG-SG 2.77Å
343	S	71.9	Confident	81	Confident	25 Å²	25	42.7 Å²	42.7	18%	0.175	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	130.5	169.2	172	0	0	0	0	109.9	N345 Y346 G347 E349	S343-N345 PolarHBondContact O-N 3.37Å; S343-N345 VanDerWaalsContact O-N 3.09Å; S343-N345 PolarHBondContact OG-N 2.86Å; S343-N345 VanDerWaalsContact OG-N 3.09Å; S343-Y346 PolarHBondContact O-N 2.83Å; S343-Y346 PolarHBondContact OG-N 3.1Å; S343-G347 PolarHBondContact N-O 3.28Å; S343-G347 VanDerWaalsContact O-CA 3.28Å; S343-G347 WeakPolarHBondContact O-CA 3.46Å; S343-G347 PolarHBondContact O-N 2.82Å; S343-E349 VanDerWaalsContact CB-OE2 3.28Å; S343-E349 WeakPolarHBondContact CB-OE2 3.31Å
344	K	58.8	Low	80.6	Confident	140 Å²	140	40.4 Å²	40.4	61%	0.609	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.8	170.5	-64.6	-179.5	-170.7	163.4	0	112.8	D432 K641	K344-D432 WeakPolarHBondContact CE-OD2 3.44Å; K344-D432 IonicContact NZ-OD1 2.78Å; K344-D432 IonicContact NZ-OD2 2.85Å; K344-D432 PolarHBondContact NZ-OD2 2.86Å; K344-K641 PolarHBondContact O-NZ 2.91Å
345	N	55.9	Low	80.3	Confident	82 Å²	82	43.5 Å²	43.5	44%	0.439	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-40.1	-175.3	-64.2	-5.5	0	0	0	112.9	S343 K641	S343-N345 PolarHBondContact O-N 3.37Å; S343-N345 VanDerWaalsContact O-N 3.09Å; S343-N345 PolarHBondContact OG-N 2.86Å; S343-N345 VanDerWaalsContact OG-N 3.09Å; N345-K641 VanDerWaalsContact CA-NZ 3.28Å; N345-K641 HydrophobicContact CB-CD 4Å; N345-K641 VanDerWaalsContact CG-CD 3.48Å; N345-K641 WeakPolarHBondContact OD1-CD 3.48Å; N345-K641 VanDerWaalsContact OD1-CE 3.27Å; N345-K641 WeakPolarHBondContact OD1-CE 2.89Å; N345-K641 PolarHBondContact OD1-NZ 3.26Å
346	Y	63.9	Low	80.2	Confident	84 Å²	84	47.1 Å²	47.1	33%	0.329	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-7.4	-170.2	-53.8	-66.8	0	0	0	112.8	S343 E349 E358	S343-Y346 PolarHBondContact O-N 2.83Å; S343-Y346 PolarHBondContact OG-N 3.1Å; Y346-E349 WeakPolarHBondContact CD2-OE1 3.36Å; Y346-E358 VanDerWaalsContact CD1-CD 3.49Å; Y346-E358 HydrophobicContact CD1-CG 4.17Å; Y346-E358 WeakPolarHBondContact CD1-OE2 3.28Å; Y346-E358 HydrophobicContact CD2-CG 4.19Å; Y346-E358 HydrophobicContact CG-CG 3.82Å
347	G	72.3	Confident	80.2	Confident	9 Å²	9	47.5 Å²	47.5	9%	0.093	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	78.8	-125.9	-171.7	0	0	0	0	0	110.7	C342 S343 E349 C386	C342-G347 CarbonylContact C-O 3.6Å; S343-G347 PolarHBondContact N-O 3.28Å; S343-G347 VanDerWaalsContact O-CA 3.28Å; S343-G347 WeakPolarHBondContact O-CA 3.46Å; S343-G347 PolarHBondContact O-N 2.82Å; G347-E349 PolarHBondContact O-N 2.89Å; G347-C386 WeakPolarHBondContact CA-SG 3.39Å
348	V	83.7	Confident	80.1	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	127.2	179.7	176.4	0	0	0	0	109.7	F315 F340 C359 L389 C390	F315-V348 HydrophobicContact CE1-CG1 4.3Å; F315-V348 HydrophobicContact CZ-CG1 4.26Å; F340-V348 HydrophobicContact CB-CG1 4.36Å; F340-V348 HydrophobicContact CD2-CG1 4.23Å; V348-C359 HydrophobicContact CB-CB 3.96Å; V348-C359 HydrophobicContact CG1-CB 4.27Å; V348-C359 VanDerWaalsContact O-CB 3.25Å; V348-C359 WeakPolarHBondContact O-CB 3.45Å; V348-C359 PolarHBondContact O-N 3Å; V348-L389 HydrophobicContact CG1-CD1 4.09Å; V348-L389 HydrophobicContact CG2-CB 3.93Å; V348-L389 HydrophobicContact CG2-CD1 4.08Å; V348-C390 VanDerWaalsContact CG2-SG 3.52Å
349	E	87.7	Confident	79.9	Confident	13 Å²	13	52.7 Å²	52.7	6%	0.061	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	118.7	168.4	-67.5	176.1	135.3	0	0	109.2	F340 Q341 S343 Y346 G347 L356 F357 E358	F340-E349 CarbonylContact C-O 3.3Å; F340-E349 WeakPolarHBondContact CA-O 3.49Å; F340-E349 WeakPolarHBondContact CB-O 3.45Å; Q341-E349 HydrophobicContact CG-CB 3.91Å; Q341-E349 PolarHBondContact N-O 2.98Å; Q341-E349 PolarHBondContact NE2-OE2 2.79Å; Q341-E349 PolarHBondContact O-N 3.47Å; S343-E349 VanDerWaalsContact CB-OE2 3.28Å; S343-E349 WeakPolarHBondContact CB-OE2 3.31Å; Y346-E349 WeakPolarHBondContact CD2-OE1 3.36Å; G347-E349 PolarHBondContact O-N 2.89Å; E349-L356 HydrophobicContact CB-CD2 4.01Å; E349-F357 CarbonylContact C-O 3.54Å; E349-F357 WeakPolarHBondContact CA-O 3.36Å; E349-E358 HydrophobicContact CG-CG 4.34Å
350	V	90	Very high	79.5	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	131.2	175.3	-179	0	0	0	0	108.9	F315 H338 F357 I366 I381	F315-V350 HydrophobicContact CD1-CG2 4.46Å; F315-V350 HydrophobicContact CE1-CG2 3.82Å; F315-V350 HydrophobicContact CZ-CG2 4.03Å; H338-V350 HydrophobicContact CB-CG1 3.99Å; V350-F357 PolarHBondContact N-O 3.23Å; V350-F357 PolarHBondContact O-N 3.07Å; V350-I366 HydrophobicContact CB-CD1 4.37Å; V350-I366 HydrophobicContact CG2-CD1 4.15Å; V350-I381 HydrophobicContact CG1-CD1 4.01Å
351	I	84.9	Confident	78.8	Confident	35 Å²	35	54.3 Å²	54.3	18%	0.179	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	108.3	178.5	-62.2	159.9	0	0	0	108.3	K339 Q341 Q355 L356	K339-I351 HydrophobicContact CB-CB 4.13Å; K339-I351 HydrophobicContact CD-CB 4.25Å; K339-I351 HydrophobicContact CD-CD1 4.18Å; K339-I351 HydrophobicContact CD-CG2 4.14Å; K339-I351 HydrophobicContact CG-CB 4.15Å; K339-I351 HydrophobicContact CG-CD1 3.98Å; K339-I351 PolarHBondContact O-N 3.22Å; Q341-I351 HydrophobicContact CB-CD1 4.21Å; Q341-I351 HydrophobicContact CG-CD1 4.28Å; I351-Q355 CarbonylContact C-O 3.56Å; I351-Q355 WeakPolarHBondContact CA-O 3.32Å; I351-L356 HydrophobicContact CD1-CD2 4.37Å; I351-L356 HydrophobicContact CG1-CD2 3.52Å
352	F	79.3	Confident	78.3	Confident	1 Å²	1	53.8 Å²	53.8	0%	0.004	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	117.3	177.9	-158.7	-81	0	0	0	110.4	F304 L305 G354 Q355 F357 I368 P370 L377 I379	F304-F352 HydrophobicContact CB-CE1 3.93Å; F304-F352 HydrophobicContact CB-CE2 4.17Å; F304-F352 HydrophobicContact CB-CZ 3.66Å; F304-F352 HydrophobicContact CG-CE1 4.5Å; F304-F352 WeakPolarHBondContact O-CD2 3.49Å; F304-F352 WeakPolarHBondContact O-CE2 3.36Å; L305-F352 HydrophobicContact CD2-CE2 4.25Å; L305-F352 HydrophobicContact CD2-CZ 4.14Å; F352-G354 PolarHBondContact O-N 2.86Å; F352-Q355 PolarHBondContact N-O 3.38Å; F352-Q355 WeakPolarHBondContact O-CB 3.22Å; F352-Q355 PolarHBondContact O-N 2.89Å; F352-F357 HydrophobicContact CB-CD2 3.95Å; F352-F357 HydrophobicContact CB-CE2 3.77Å; F352-I368 HydrophobicContact CB-CD1 4.41Å; F352-I368 HydrophobicContact CB-CG2 4.32Å; F352-I368 HydrophobicContact CD1-CG2 4.21Å; F352-I368 HydrophobicContact CG-CG2 4.16Å; F352-P370 HydrophobicContact CD1-CB 4.44Å; F352-P370 HydrophobicContact CD1-CG 3.93Å; F352-P370 HydrophobicContact CE1-CG 3.78Å; F352-L377 HydrophobicContact CE1-CD2 3.62Å; F352-L377 HydrophobicContact CZ-CD2 3.57Å; F352-I379 HydrophobicContact CE2-CD1 3.61Å; F352-I379 HydrophobicContact CZ-CD1 3.6Å
353	N	75.4	Confident	78.4	Confident	71 Å²	71	51.7 Å²	51.7	38%	0.38	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	40.7	-177.1	-171.8	32.2	0	0	0	113.7	F304 Q355	F304-N353 HydrophobicContact CD1-CB 3.91Å; F304-N353 HydrophobicContact CE1-CB 3.73Å; F304-N353 VanDerWaalsContact CE1-OD1 3.27Å; F304-N353 WeakPolarHBondContact CE1-OD1 3.27Å; F304-N353 HydrophobicContact CE2-CB 4.42Å; F304-N353 HydrophobicContact CG-CB 4.35Å; F304-N353 HydrophobicContact CZ-CB 4.01Å; F304-N353 WeakPolarHBondContact CZ-OD1 3.25Å; N353-Q355 PolarHBondContact O-N 3.09Å
354	G	76.6	Confident	79.1	Confident	72 Å²	72	51.4 Å²	51.4	74%	0.742	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	3.2	-178.7	0	0	0	0	0	115.1	F352	F352-G354 PolarHBondContact O-N 2.86Å
355	Q	82.4	Confident	80.6	Confident	101 Å²	101	47.8 Å²	47.8	47%	0.472	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	145	171	-62.8	-177.1	-34.4	0	0	110.1	I351 F352 N353 F357	I351-Q355 CarbonylContact C-O 3.56Å; I351-Q355 WeakPolarHBondContact CA-O 3.32Å; F352-Q355 PolarHBondContact N-O 3.38Å; F352-Q355 WeakPolarHBondContact O-CB 3.22Å; F352-Q355 PolarHBondContact O-N 2.89Å; N353-Q355 PolarHBondContact O-N 3.09Å; Q355-F357 HydrophobicContact CB-CD2 4.49Å; Q355-F357 HydrophobicContact CB-CE2 3.67Å; Q355-F357 HydrophobicContact CB-CZ 4.07Å
356	L	87.5	Confident	82.2	Confident	85 Å²	85	44.6 Å²	44.6	45%	0.445	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	134.7	176.8	-67	164.2	0	0	0	109.6	Q341 E349 I351	Q341-L356 HydrophobicContact CG-CD2 3.94Å; E349-L356 HydrophobicContact CB-CD2 4.01Å; I351-L356 HydrophobicContact CD1-CD2 4.37Å; I351-L356 HydrophobicContact CG1-CD2 3.52Å
357	F	88.8	Confident	83.5	Confident	44 Å²	44	46.6 Å²	46.6	19%	0.193	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	117.1	174.4	-63.6	-89.6	0	0	0	109.1	E349 V350 F352 Q355 C359 I366 I368	E349-F357 CarbonylContact C-O 3.54Å; E349-F357 WeakPolarHBondContact CA-O 3.36Å; V350-F357 PolarHBondContact N-O 3.23Å; V350-F357 PolarHBondContact O-N 3.07Å; F352-F357 HydrophobicContact CB-CD2 3.95Å; F352-F357 HydrophobicContact CB-CE2 3.77Å; Q355-F357 HydrophobicContact CB-CD2 4.49Å; Q355-F357 HydrophobicContact CB-CE2 3.67Å; Q355-F357 HydrophobicContact CB-CZ 4.07Å; F357-C359 PolarHBondContact O-N 3.18Å; F357-I366 HydrophobicContact CB-CD1 4.01Å; F357-I368 HydrophobicContact CB-CD1 4Å; F357-I368 HydrophobicContact CB-CG1 4.17Å; F357-I368 HydrophobicContact CD1-CB 4.42Å; F357-I368 HydrophobicContact CD1-CD1 4.35Å; F357-I368 HydrophobicContact CD1-CG1 3.78Å; F357-I368 HydrophobicContact CD1-CG2 4.33Å; F357-I368 HydrophobicContact CD2-CD1 3.85Å; F357-I368 HydrophobicContact CD2-CG1 4.13Å; F357-I368 HydrophobicContact CD2-CG2 4.17Å; F357-I368 HydrophobicContact CE1-CB 4.33Å; F357-I368 HydrophobicContact CE1-CG1 4.19Å; F357-I368 HydrophobicContact CE1-CG2 3.9Å; F357-I368 HydrophobicContact CE2-CD1 4.45Å; F357-I368 HydrophobicContact CE2-CG2 3.74Å; F357-I368 HydrophobicContact CG-CD1 3.79Å; F357-I368 HydrophobicContact CG-CG1 3.75Å; F357-I368 HydrophobicContact CG-CG2 4.46Å; F357-I368 HydrophobicContact CZ-CB 4.48Å; F357-I368 HydrophobicContact CZ-CG2 3.59Å
358	E	89.6	Confident	84.3	Confident	104 Å²	104	46.1 Å²	46.1	49%	0.486	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	124	-177.2	-62	167.7	-159.5	0	0	110.5	Y346 E349 I366	Y346-E358 VanDerWaalsContact CD1-CD 3.49Å; Y346-E358 HydrophobicContact CD1-CG 4.17Å; Y346-E358 WeakPolarHBondContact CD1-OE2 3.28Å; Y346-E358 HydrophobicContact CD2-CG 4.19Å; Y346-E358 HydrophobicContact CG-CG 3.82Å; E349-E358 HydrophobicContact CG-CG 4.34Å; E358-I366 WeakPolarHBondContact O-CG2 3.26Å
359	C	86.4	Confident	84.4	Confident	7 Å²	7	51.8 Å²	51.8	5%	0.047	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-81	144.4	168.7	-75.3	0	0	0	0	110.6	V348 F357 C383	V348-C359 HydrophobicContact CB-CB 3.96Å; V348-C359 HydrophobicContact CG1-CB 4.27Å; V348-C359 VanDerWaalsContact O-CB 3.25Å; V348-C359 WeakPolarHBondContact O-CB 3.45Å; V348-C359 PolarHBondContact O-N 3Å; F357-C359 PolarHBondContact O-N 3.18Å; C359-C383 VanDerWaalsContact CA-SG 3.56Å; C359-C383 HydrophobicContact CB-CB 3.45Å; C359-C383 VanDerWaalsContact CB-CB 3.45Å; C359-C383 WeakPolarHBondContact CB-SG 3.21Å; C359-C383 WeakPolarHBondContact SG-CB 3.33Å; C359-C383 CovalentContact SG-SG 2.03Å; C359-C383 PolarHBondContact SG-SG 3.26Å
360	P	81.3	Confident	83.8	Confident	56 Å²	56	51.3 Å²	51.3	36%	0.364	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-59.4	140.7	166.5	-18.9	30.5	0	0	0	110.6	E362 G363 I366	P360-E362 PolarHBondContact O-N 3.23Å; P360-G363 WeakPolarHBondContact O-CA 3.15Å; P360-G363 PolarHBondContact O-N 3.44Å; P360-I366 HydrophobicContact CG-CG2 4.5Å
361	V	73.8	Confident	82.8	Confident	71 Å²	71	60 Å²	60	43%	0.43	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-37.3	-178.6	179.2	0	0	0	0	112	G363 C386	V361-G363 PolarHBondContact O-N 2.8Å; V361-C386 HydrophobicContact CG1-CB 4.07Å; V361-C386 WeakPolarHBondContact O-CB 3.36Å; V361-C386 PolarHBondContact O-N 3.21Å
362	E	74.6	Confident	82.1	Confident	70 Å²	70	60 Å²	60	33%	0.327	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-1.5	176	-62.6	-43.3	126.8	0	0	115.9	P360 K385 P560	P360-E362 PolarHBondContact O-N 3.23Å; E362-K385 WeakPolarHBondContact O-CG 3.47Å; E362-P560 WeakPolarHBondContact OE1-CB 3Å; E362-P560 WeakPolarHBondContact OE1-CG 3.22Å; E362-P560 WeakPolarHBondContact OE2-CG 3.22Å
363	G	82.4	Confident	81.6	Confident	14 Å²	14	70.6 Å²	70.6	14%	0.144	37%	0.365	C	S	.	.			trans	69	176.2	-155.4	0	0	0	0	0	111.5	P360 V361 C383 P384	P360-G363 WeakPolarHBondContact O-CA 3.15Å; P360-G363 PolarHBondContact O-N 3.44Å; V361-G363 PolarHBondContact O-N 2.8Å; G363-C383 WeakPolarHBondContact CA-O 3.45Å; G363-P384 WeakPolarHBondContact CA-O 3.42Å
364	G	85.3	Confident	81.3	Confident	19 Å²	19	75.4 Å²	75.4	20%	0.196	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	142.4	-179.3	-171.8	0	0	0	0	0	111	Q382 C383	G364-Q382 CarbonylContact O-C 3.49Å; G364-C383 PolarHBondContact N-O 2.8Å; G364-C383 VanDerWaalsContact N-O 3.13Å; G364-C383 WeakPolarHBondContact O-CB 3.01Å; G364-C383 PolarHBondContact O-N 2.97Å
365	I	90.1	Very high	81.2	Confident	64 Å²	64	73.5 Å²	73.5	33%	0.328	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	127.9	-177	-59.9	166.6	0	0	0	109.2	N380 I381	I365-N380 HydrophobicContact CG2-CB 3.89Å; I365-I381 CarbonylContact C-O 3.49Å; I365-I381 WeakPolarHBondContact CA-O 3.46Å
366	I	89.8	Confident	81.1	Confident	16 Å²	16	73.2 Å²	73.2	8%	0.082	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	147.1	167.6	61.6	170.9	0	0	0	110.2	V350 F357 E358 P360 I368 N380 I381	V350-I366 HydrophobicContact CB-CD1 4.37Å; V350-I366 HydrophobicContact CG2-CD1 4.15Å; F357-I366 HydrophobicContact CB-CD1 4.01Å; E358-I366 WeakPolarHBondContact O-CG2 3.26Å; P360-I366 HydrophobicContact CG-CG2 4.5Å; I366-I368 HydrophobicContact CD1-CD1 3.84Å; I366-I368 HydrophobicContact CD1-CG1 4.13Å; I366-I368 HydrophobicContact CG1-CD1 4.43Å; I366-I368 HydrophobicContact CG1-CG1 4.35Å; I366-N380 VanDerWaalsContact O-CA 3.32Å; I366-N380 WeakPolarHBondContact O-CA 3.4Å; I366-I381 HydrophobicContact CD1-CB 4.25Å; I366-I381 HydrophobicContact CG1-CB 3.81Å; I366-I381 HydrophobicContact CG1-CG1 4.5Å; I366-I381 PolarHBondContact N-O 3.4Å; I366-I381 PolarHBondContact O-N 3.32Å
367	H	92.6	Very high	80.9	Confident	125 Å²	125	69.1 Å²	69.1	58%	0.579	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	108.5	-178.7	-56.8	-67.4	0	0	0	110	N380	H367-N380 VanDerWaalsContact ND1-CG 3.33Å; H367-N380 PolarHBondContact ND1-OD1 3.43Å
368	I	87.9	Confident	80.9	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	116.7	-178	-58.4	-178.4	0	0	0	108.8	F352 F357 I366 P370 A378 I379 I381	F352-I368 HydrophobicContact CB-CD1 4.41Å; F352-I368 HydrophobicContact CB-CG2 4.32Å; F352-I368 HydrophobicContact CD1-CG2 4.21Å; F352-I368 HydrophobicContact CG-CG2 4.16Å; F357-I368 HydrophobicContact CB-CD1 4Å; F357-I368 HydrophobicContact CB-CG1 4.17Å; F357-I368 HydrophobicContact CD1-CB 4.42Å; F357-I368 HydrophobicContact CD1-CD1 4.35Å; F357-I368 HydrophobicContact CD1-CG1 3.78Å; F357-I368 HydrophobicContact CD1-CG2 4.33Å; F357-I368 HydrophobicContact CD2-CD1 3.85Å; F357-I368 HydrophobicContact CD2-CG1 4.13Å; F357-I368 HydrophobicContact CD2-CG2 4.17Å; F357-I368 HydrophobicContact CE1-CB 4.33Å; F357-I368 HydrophobicContact CE1-CG1 4.19Å; F357-I368 HydrophobicContact CE1-CG2 3.9Å; F357-I368 HydrophobicContact CE2-CD1 4.45Å; F357-I368 HydrophobicContact CE2-CG2 3.74Å; F357-I368 HydrophobicContact CG-CD1 3.79Å; F357-I368 HydrophobicContact CG-CG1 3.75Å; F357-I368 HydrophobicContact CG-CG2 4.46Å; F357-I368 HydrophobicContact CZ-CB 4.48Å; F357-I368 HydrophobicContact CZ-CG2 3.59Å; I366-I368 HydrophobicContact CD1-CD1 3.84Å; I366-I368 HydrophobicContact CD1-CG1 4.13Å; I366-I368 HydrophobicContact CG1-CD1 4.43Å; I366-I368 HydrophobicContact CG1-CG1 4.35Å; I368-P370 VanDerWaalsContact C-CD 3.49Å; I368-P370 HydrophobicContact CG2-CG 4.18Å; I368-A378 CarbonylContact O-C 3.58Å; I368-A378 WeakPolarHBondContact O-CA 3.34Å; I368-I379 HydrophobicContact CB-CB 4.45Å; I368-I379 PolarHBondContact N-O 2.99Å; I368-I379 PolarHBondContact O-N 3.19Å; I368-I381 HydrophobicContact CD1-CD1 3.49Å; I368-I381 VanDerWaalsContact CD1-CD1 3.49Å; I368-I381 HydrophobicContact CD1-CG1 4Å
369	R	86.7	Confident	80.9	Confident	120 Å²	120	62.1 Å²	62.1	45%	0.453	31%	0.305	S	S	.	.			trans	-126.7	66.6	-177.8	-60.1	-120.9	178.8	-156.2	-5.8	111.3	Y376 L377 A378	R369-Y376 WeakPolarHBondContact CD-OH 2.98Å; R369-Y376 PolarHBondContact NE-OH 3.27Å; R369-Y376 PolarHBondContact NH1-OH 2.77Å; R369-L377 WeakPolarHBondContact CA-O 3.14Å; R369-A378 HydrophobicContact CG-CB 4.32Å
370	P	74.9	Confident	81.1	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.013	31%	0.307	C	S	.	.			trans	-74.7	143.3	-171.6	29.9	-32.9	0	0	0	111.2	F352 I368 M372 L377	F352-P370 HydrophobicContact CD1-CB 4.44Å; F352-P370 HydrophobicContact CD1-CG 3.93Å; F352-P370 HydrophobicContact CE1-CG 3.78Å; I368-P370 VanDerWaalsContact C-CD 3.49Å; I368-P370 HydrophobicContact CG2-CG 4.18Å; P370-M372 PolarHBondContact O-N 2.81Å; P370-L377 WeakPolarHBondContact CD-O 3.23Å; P370-L377 HydrophobicContact CG-CB 4.2Å; P370-L377 HydrophobicContact CG-CD2 4Å; P370-L377 HydrophobicContact CG-CG 4.35Å
371	H	68.9	Low	81.6	Confident	183 Å²	183	60 Å²	60	85%	0.847	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	114.6	174.2	-105.4	-75	0	0	0	110.6
372	M	69.6	Low	82.5	Confident	36 Å²	36	60.3 Å²	60.3	18%	0.177	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	141.8	178.4	-67.4	-89.6	-83.4	0	0	110.5	L301 Y322 P370 K374 G375 L377	L301-M372 HydrophobicContact CD1-CE 3.75Å; Y322-M372 HydrophobicContact CD2-CE 4.36Å; Y322-M372 HydrophobicContact CE2-CE 3.74Å; P370-M372 PolarHBondContact O-N 2.81Å; M372-K374 PolarHBondContact O-N 3.23Å; M372-G375 WeakPolarHBondContact CB-O 3.3Å; M372-L377 HydrophobicContact CG-CB 3.98Å
373	K	68.4	Low	83.3	Confident	223 Å²	223	57 Å²	57	97%	0.97	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-27.5	177.1	-75.4	-176.7	179.8	174.5	0	113.3
374	K	69.3	Low	83.5	Confident	172 Å²	172	58 Å²	58	75%	0.748	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.8	50	-175.8	-74.7	-170.8	176.4	178.6	0	112.9	Y322 S324 M372	Y322-K374 PolarHBondContact OH-O 3.04Å; S324-K374 PolarHBondContact OG-O 3.26Å; M372-K374 PolarHBondContact O-N 3.23Å
375	G	74.5	Confident	83.3	Confident	31 Å²	31	61.3 Å²	61.3	32%	0.32	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	150	-166	175.6	0	0	0	0	0	113.4	V323 M372	V323-G375 CarbonylContact O-C 3.37Å; V323-G375 WeakPolarHBondContact O-CA 3.29Å; M372-G375 WeakPolarHBondContact CB-O 3.3Å
376	Y	81.6	Confident	82.8	Confident	95 Å²	95	58.9 Å²	58.9	37%	0.373	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	132.6	172.9	175.8	-104.3	0	0	0	108.4	Y322 V323 R369 A378	Y322-Y376 CarbonylContact C-O 3.49Å; Y322-Y376 WeakPolarHBondContact CA-O 3.45Å; Y322-Y376 WeakPolarHBondContact CD2-O 3.09Å; V323-Y376 HydrophobicContact CG2-CD1 4.45Å; V323-Y376 PolarHBondContact N-O 2.73Å; V323-Y376 PolarHBondContact O-N 3.25Å; R369-Y376 WeakPolarHBondContact CD-OH 2.98Å; R369-Y376 PolarHBondContact NE-OH 3.27Å; R369-Y376 PolarHBondContact NH1-OH 2.77Å; Y376-A378 HydrophobicContact CE1-CB 3.82Å
377	L	82.7	Confident	82	Confident	0 Å²	0	62 Å²	62	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.7	174.5	-179.6	64.9	0	0	0	108.2	L301 I320 E321 Y322 F352 R369 P370 M372 I379	L301-L377 HydrophobicContact CD1-CD2 3.99Å; I320-L377 HydrophobicContact CG2-CD1 4.11Å; E321-L377 CarbonylContact O-C 3.58Å; E321-L377 WeakPolarHBondContact O-CA 3.22Å; Y322-L377 HydrophobicContact CD2-CB 4.38Å; Y322-L377 HydrophobicContact CD2-CD1 4.34Å; F352-L377 HydrophobicContact CE1-CD2 3.62Å; F352-L377 HydrophobicContact CZ-CD2 3.57Å; R369-L377 WeakPolarHBondContact CA-O 3.14Å; P370-L377 WeakPolarHBondContact CD-O 3.23Å; P370-L377 HydrophobicContact CG-CB 4.2Å; P370-L377 HydrophobicContact CG-CD2 4Å; P370-L377 HydrophobicContact CG-CG 4.35Å; M372-L377 HydrophobicContact CG-CB 3.98Å; L377-I379 HydrophobicContact CD1-CD1 4.13Å; L377-I379 HydrophobicContact CD1-CG1 4Å; L377-I379 HydrophobicContact CD2-CD1 3.95Å; L377-I379 HydrophobicContact CD2-CG1 4.47Å; L377-I379 HydrophobicContact CG-CD1 4.11Å; L377-I379 HydrophobicContact CG-CG1 4.08Å
378	A	88	Confident	81.2	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.008	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	123.8	171.2	0	0	0	0	0	109	I320 E321 I368 R369 Y376	I320-A378 CarbonylContact C-O 3.44Å; E321-A378 HydrophobicContact CB-CB 4.32Å; E321-A378 PolarHBondContact N-O 3.09Å; E321-A378 PolarHBondContact O-N 2.84Å; I368-A378 CarbonylContact O-C 3.58Å; I368-A378 WeakPolarHBondContact O-CA 3.34Å; R369-A378 HydrophobicContact CG-CB 4.32Å; Y376-A378 HydrophobicContact CE1-CB 3.82Å
379	I	89.3	Confident	80.8	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.7	179.7	-67	176.3	0	0	0	108.7	L305 T319 I320 F352 I368 L377 I381	L305-I379 HydrophobicContact CD2-CD1 3.24Å; L305-I379 HydrophobicContact CD2-CG1 4.4Å; T319-I379 CarbonylContact O-C 3.54Å; T319-I379 WeakPolarHBondContact O-CA 3.42Å; I320-I379 HydrophobicContact CB-CG1 4.4Å; I320-I379 HydrophobicContact CG1-CG1 4.19Å; I320-I379 HydrophobicContact CG2-CD1 4.45Å; I320-I379 HydrophobicContact CG2-CG1 4.04Å; F352-I379 HydrophobicContact CE2-CD1 3.61Å; F352-I379 HydrophobicContact CZ-CD1 3.6Å; I368-I379 HydrophobicContact CB-CB 4.45Å; I368-I379 PolarHBondContact N-O 2.99Å; I368-I379 PolarHBondContact O-N 3.19Å; L377-I379 HydrophobicContact CD1-CD1 4.13Å; L377-I379 HydrophobicContact CD1-CG1 4Å; L377-I379 HydrophobicContact CD2-CD1 3.95Å; L377-I379 HydrophobicContact CD2-CG1 4.47Å; L377-I379 HydrophobicContact CG-CD1 4.11Å; L377-I379 HydrophobicContact CG-CG1 4.08Å; I379-I381 HydrophobicContact CG2-CD1 4.1Å; I379-I381 HydrophobicContact CG2-CG1 3.41Å; I379-I381 VanDerWaalsContact CG2-CG1 3.41Å
380	N	91.9	Very high	80.2	Confident	18 Å²	18	55.8 Å²	55.8	10%	0.096	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	110.5	166.3	-69.4	0.2	0	0	0	107.8	D317 E318 T319 I365 I366 H367	D317-N380 CarbonylContact C-O 3.58Å; D317-N380 WeakPolarHBondContact CA-O 3.43Å; E318-N380 HydrophobicContact CB-CB 4.02Å; E318-N380 PolarHBondContact N-O 3.07Å; E318-N380 PolarHBondContact OE2-ND2 3.32Å; T319-N380 PolarHBondContact O-N 3.41Å; T319-N380 VanDerWaalsContact OG1-CG 3.31Å; T319-N380 PolarHBondContact OG1-ND2 3.36Å; I365-N380 HydrophobicContact CG2-CB 3.89Å; I366-N380 VanDerWaalsContact O-CA 3.32Å; I366-N380 WeakPolarHBondContact O-CA 3.4Å; H367-N380 VanDerWaalsContact ND1-CG 3.33Å; H367-N380 PolarHBondContact ND1-OD1 3.43Å
381	I	91.7	Very high	79.6	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	128.5	177.7	-51.5	-167.8	0	0	0	108.3	F315 D317 V350 I365 I366 I368 I379 C383	F315-I381 HydrophobicContact CB-CG2 3.76Å; F315-I381 HydrophobicContact CD1-CG2 3.81Å; F315-I381 HydrophobicContact CG-CG2 4.06Å; D317-I381 WeakPolarHBondContact OD1-CG1 3.49Å; V350-I381 HydrophobicContact CG1-CD1 4.01Å; I365-I381 CarbonylContact C-O 3.49Å; I365-I381 WeakPolarHBondContact CA-O 3.46Å; I366-I381 HydrophobicContact CD1-CB 4.25Å; I366-I381 HydrophobicContact CG1-CB 3.81Å; I366-I381 HydrophobicContact CG1-CG1 4.5Å; I366-I381 PolarHBondContact N-O 3.4Å; I366-I381 PolarHBondContact O-N 3.32Å; I368-I381 HydrophobicContact CD1-CD1 3.49Å; I368-I381 VanDerWaalsContact CD1-CD1 3.49Å; I368-I381 HydrophobicContact CD1-CG1 4Å; I379-I381 HydrophobicContact CG2-CD1 4.1Å; I379-I381 HydrophobicContact CG2-CG1 3.41Å; I379-I381 VanDerWaalsContact CG2-CG1 3.41Å; I381-C383 PolarHBondContact O-N 3.23Å
382	Q	93	Very high	78.6	Confident	78 Å²	78	55.7 Å²	55.7	36%	0.364	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	100.4	166.7	178.5	66.3	52.1	0	0	108.5	M316 G364	M316-Q382 HydrophobicContact CB-CB 4.12Å; M316-Q382 WeakPolarHBondContact O-CA 3.3Å; M316-Q382 VanDerWaalsContact O-CB 3.24Å; M316-Q382 WeakPolarHBondContact O-CB 3.49Å; M316-Q382 PolarHBondContact O-N 3.23Å; G364-Q382 CarbonylContact O-C 3.49Å
383	C	90.1	Very high	77.4	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.007	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	136	172.4	-66.2	0	0	0	0	110.6	C359 G363 G364 I381	C359-C383 VanDerWaalsContact CA-SG 3.56Å; C359-C383 HydrophobicContact CB-CB 3.45Å; C359-C383 VanDerWaalsContact CB-CB 3.45Å; C359-C383 WeakPolarHBondContact CB-SG 3.21Å; C359-C383 WeakPolarHBondContact SG-CB 3.33Å; C359-C383 CovalentContact SG-SG 2.03Å; C359-C383 PolarHBondContact SG-SG 3.26Å; G363-C383 WeakPolarHBondContact CA-O 3.45Å; G364-C383 PolarHBondContact N-O 2.8Å; G364-C383 VanDerWaalsContact N-O 3.13Å; G364-C383 WeakPolarHBondContact O-CB 3.01Å; G364-C383 PolarHBondContact O-N 2.97Å; I381-C383 PolarHBondContact O-N 3.23Å
384	P	87.1	Confident	76.2	Confident	34 Å²	34	49 Å²	49	22%	0.221	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-75.4	170.9	167.9	36	-36	0	0	0	110.4	F315 G363 S388 L389	F315-P384 HydrophobicContact CD1-CG 4.43Å; F315-P384 VanDerWaalsContact CE1-CD 3.43Å; F315-P384 HydrophobicContact CE1-CG 4.13Å; G363-P384 WeakPolarHBondContact CA-O 3.42Å; P384-S388 WeakPolarHBondContact CB-OG 2.97Å; P384-L389 HydrophobicContact CG-CD1 3.43Å; P384-L389 VanDerWaalsContact CG-CD1 3.43Å; P384-L389 HydrophobicContact CG-CG 3.74Å
385	K	80.9	Confident	75.5	Confident	89 Å²	89	41.6 Å²	41.6	39%	0.387	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-59	142.7	173.2	-72.2	-172.2	173.8	-162.5	0	110	E362 T387 S388 E542	E362-K385 WeakPolarHBondContact O-CG 3.47Å; K385-T387 PolarHBondContact O-N 2.97Å; K385-S388 PolarHBondContact O-N 2.52Å; K385-S388 PolarHBondContact O-OG 3.47Å; K385-E542 IonicContact NZ-OE1 3.34Å
386	C	79.4	Confident	74.7	Confident	13 Å²	13	42.3 Å²	42.3	9%	0.088	22%	0.216	C	C	.	.	H	α-helix	trans	-52.9	-46.4	178.9	-176.8	0	0	0	0	111.4	G347 V361 S388 L389 C390	G347-C386 WeakPolarHBondContact CA-SG 3.39Å; V361-C386 HydrophobicContact CG1-CB 4.07Å; V361-C386 WeakPolarHBondContact O-CB 3.36Å; V361-C386 PolarHBondContact O-N 3.21Å; C386-S388 PolarHBondContact O-N 3.37Å; C386-L389 PolarHBondContact O-N 2.95Å; C386-L389 VanDerWaalsContact O-N 3.12Å; C386-C390 WeakPolarHBondContact O-CA 3.24Å; C386-C390 WeakPolarHBondContact O-CB 3.45Å; C386-C390 PolarHBondContact O-N 3.4Å
387	T	72.7	Confident	74.1	Confident	80 Å²	80	38.3 Å²	38.3	49%	0.491	20%	0.201	S	C	.	.	H	α-helix	trans	-62.4	-16.1	-178.9	59.8	0	0	0	0	114.8	K385	K385-T387 PolarHBondContact O-N 2.97Å
388	S	75.9	Confident	73.7	Confident	66 Å²	66	41.3 Å²	41.3	46%	0.462	22%	0.216	S	C	.	.	H	α-helix	trans	-84.5	-24.5	177.8	66.8	0	0	0	0	113.6	P384 K385 C386	P384-S388 WeakPolarHBondContact CB-OG 2.97Å; K385-S388 PolarHBondContact O-N 2.52Å; K385-S388 PolarHBondContact O-OG 3.47Å; C386-S388 PolarHBondContact O-N 3.37Å
389	L	79.7	Confident	73.2	Confident	43 Å²	43	46.4 Å²	46.4	23%	0.225	24%	0.241	C	C	.	.	H	α-helix	trans	-109.7	-50.5	178.5	-67.9	-175.1	0	0	0	111.4	A313 F315 F340 V348 P384 C386 K391	A313-L389 HydrophobicContact CB-CD1 3.98Å; A313-L389 HydrophobicContact CB-CD2 3.56Å; A313-L389 HydrophobicContact CB-CG 4.44Å; F315-L389 HydrophobicContact CE1-CD1 4.02Å; F315-L389 HydrophobicContact CE2-CD1 4.38Å; F315-L389 HydrophobicContact CZ-CD1 3.6Å; F340-L389 HydrophobicContact CD2-CD1 4.31Å; F340-L389 HydrophobicContact CE2-CB 3.95Å; F340-L389 HydrophobicContact CE2-CD1 4.33Å; F340-L389 HydrophobicContact CZ-CB 4.35Å; V348-L389 HydrophobicContact CG1-CD1 4.09Å; V348-L389 HydrophobicContact CG2-CB 3.93Å; V348-L389 HydrophobicContact CG2-CD1 4.08Å; P384-L389 HydrophobicContact CG-CD1 3.43Å; P384-L389 VanDerWaalsContact CG-CD1 3.43Å; P384-L389 HydrophobicContact CG-CG 3.74Å; C386-L389 PolarHBondContact O-N 2.95Å; C386-L389 VanDerWaalsContact O-N 3.12Å; L389-K391 PolarHBondContact O-N 3.11Å
390	C	73.7	Confident	72.5	Confident	7 Å²	7	48.6 Å²	48.6	5%	0.047	26%	0.255	C	S	.	.	S	Bend	trans	-88	96.3	175.1	-55.6	0	0	0	0	107.6	C342 V348 C386 N392	C342-C390 VanDerWaalsContact CA-SG 3.53Å; C342-C390 HydrophobicContact CB-CB 3.83Å; C342-C390 WeakPolarHBondContact CB-SG 3.37Å; C342-C390 WeakPolarHBondContact SG-CA 3.45Å; C342-C390 WeakPolarHBondContact SG-CB 3.43Å; C342-C390 CovalentContact SG-SG 2.03Å; C342-C390 PolarHBondContact SG-SG 2.77Å; V348-C390 VanDerWaalsContact CG2-SG 3.52Å; C386-C390 WeakPolarHBondContact O-CA 3.24Å; C386-C390 WeakPolarHBondContact O-CB 3.45Å; C386-C390 PolarHBondContact O-N 3.4Å; C390-N392 PolarHBondContact O-N 3.34Å
391	K	63.2	Low	71.3	Confident	119 Å²	119	53.5 Å²	53.5	52%	0.517	29%	0.287	S	S	.	.			trans	-61.4	122.5	163.1	-67.1	-175.3	179.7	-178.3	0	105.5	D182 L389 H393	D182-K391 IonicContact OD2-NZ 2.78Å; D182-K391 PolarHBondContact OD2-NZ 3.17Å; L389-K391 PolarHBondContact O-N 3.11Å; K391-H393 PolarHBondContact O-CD2 3.49Å; K391-H393 PolarHBondContact O-N 2.82Å
392	N	47.1	Very low	69.9	Low	63 Å²	63	59.3 Å²	59.3	34%	0.337	31%	0.31	S	S	.	.			trans	-56.8	107.4	170.6	-77.6	-14.1	0	0	0	106.1	C390 D394 E540	C390-N392 PolarHBondContact O-N 3.34Å; N392-D394 PolarHBondContact O-N 2.45Å; N392-E540 PolarHBondContact ND2-OE2 2.87Å; N392-E540 VanDerWaalsContact ND2-OE2 3.17Å
393	H	44.8	Very low	68	Low	76 Å²	76	60.5 Å²	60.5	35%	0.352	32%	0.316	S	S	.	.			trans	-73.6	26.8	-176.9	-69.5	-81.9	0	0	0	112.1	K391 H395 D431	K391-H393 PolarHBondContact O-CD2 3.49Å; K391-H393 PolarHBondContact O-N 2.82Å; H393-H395 VanDerWaalsContact C-N 3.32Å; H393-H395 PolarHBondContact O-N 2.55Å; H393-D431 HydrophobicContact CB-CB 3.94Å; H393-D431 IonicContact CD2-OD1 3.75Å; H393-D431 IonicContact CE1-OD1 2.77Å; H393-D431 PolarHBondContact CE1-OD1 3.02Å; H393-D431 IonicContact CE1-OD2 3.71Å; H393-D431 VanDerWaalsContact CG-CG 3.5Å; H393-D431 IonicContact CG-OD1 3.15Å; H393-D431 IonicContact CG-OD2 3.89Å; H393-D431 IonicContact ND1-OD1 3.48Å; H393-D431 PolarHBondContact ND1-OD1 3.25Å; H393-D431 IonicContact ND1-OD2 3.57Å; H393-D431 PolarHBondContact ND1-OD2 2.89Å; H393-D431 IonicContact NE2-OD1 3.97Å
394	D	43.4	Very low	66.1	Low	42 Å²	42	61.9 Å²	61.9	23%	0.225	32%	0.323	C	S	.	.			trans	-98.9	42.3	-164.2	-71.7	-29.6	0	0	0	112	N392 K434	N392-D394 PolarHBondContact O-N 2.45Å; D394-K434 WeakPolarHBondContact OD1-CD 2.88Å; D394-K434 WeakPolarHBondContact OD1-CE 2.87Å; D394-K434 IonicContact OD1-NZ 2.76Å; D394-K434 PolarHBondContact OD1-NZ 3.05Å; D394-K434 IonicContact OD2-NZ 2.72Å; D394-K434 PolarHBondContact OD2-NZ 2.91Å
395	H	54.2	Low	64	Low	17 Å²	17	67.5 Å²	67.5	8%	0.079	35%	0.346	C	S	.	.	S	Bend	trans	-142.3	165.5	-176.9	-58.6	-72.6	0	0	0	111.1	H393 S406 C408 E478	H393-H395 VanDerWaalsContact C-N 3.32Å; H393-H395 PolarHBondContact O-N 2.55Å; H395-S406 WeakPolarHBondContact CB-O 3.5Å; H395-S406 WeakPolarHBondContact CD2-CB 3.45Å; H395-S406 PolarHBondContact CD2-OG 3.11Å; H395-S406 PolarHBondContact NE2-OG 2.76Å; H395-S406 VanDerWaalsContact NE2-OG 3.07Å; H395-C408 WeakPolarHBondContact O-CB 3.33Å; H395-C408 PolarHBondContact O-N 3.32Å; H395-E478 IonicContact CE1-OE1 2.96Å; H395-E478 PolarHBondContact CE1-OE1 2.74Å; H395-E478 IonicContact CE1-OE2 3.89Å; H395-E478 IonicContact ND1-OE1 2.87Å; H395-E478 PolarHBondContact ND1-OE1 2.71Å; H395-E478 VanDerWaalsContact ND1-OE1 3.09Å
396	N	57.7	Low	62.6	Low	47 Å²	47	64.8 Å²	64.8	25%	0.251	34%	0.339	S	S	.	.			trans	-41.5	146.1	-168.2	-55.1	-15.3	0	0	0	113.6	L398 T400 L404 S407 C408	N396-L398 PolarHBondContact O-N 3.49Å; N396-T400 HydrophobicContact CB-CG2 4.09Å; N396-T400 WeakPolarHBondContact CB-OG1 3.23Å; N396-L404 WeakPolarHBondContact ND2-CD1 3.2Å; N396-S407 WeakPolarHBondContact O-CA 3.37Å; N396-C408 PolarHBondContact O-N 2.92Å
397	D	69.7	Low	61.8	Low	11 Å²	11	66.2 Å²	66.2	6%	0.059	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-51.6	139.5	173.7	-173.4	-67.7	0	0	0	110.5	M399 T400 C408 S410 T413 F433	D397-M399 PolarHBondContact O-N 2.84Å; D397-M399 PolarHBondContact OD1-N 3.44Å; D397-T400 HydrophobicContact CB-CG2 4.02Å; D397-T400 WeakPolarHBondContact O-CB 3.33Å; D397-T400 VanDerWaalsContact O-CG2 3.31Å; D397-T400 WeakPolarHBondContact O-CG2 3.33Å; D397-T400 PolarHBondContact O-N 2.87Å; D397-T400 PolarHBondContact O-OG1 2.87Å; D397-C408 CarbonylContact C-O 3.52Å; D397-C408 WeakPolarHBondContact CA-O 2.85Å; D397-S410 WeakPolarHBondContact OD2-CB 3.24Å; D397-S410 PolarHBondContact OD2-OG 2.84Å; D397-T413 VanDerWaalsContact CG-OG1 3.27Å; D397-T413 PolarHBondContact OD1-OG1 3.36Å; D397-T413 PolarHBondContact OD2-OG1 2.87Å; D397-F433 HydrophobicContact CB-CD2 4.37Å; D397-F433 HydrophobicContact CB-CE2 4Å; D397-F433 HydrophobicContact CB-CZ 4.17Å
398	L	74.7	Confident	61.5	Low	62 Å²	62	62.4 Å²	62.4	33%	0.325	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.2	-37.3	179.7	179.9	66.6	0	0	0	113	N396 T400 C408 V409 T413	N396-L398 PolarHBondContact O-N 3.49Å; L398-T400 VanDerWaalsContact C-N 3.31Å; L398-T400 PolarHBondContact O-N 2.82Å; L398-C408 PolarHBondContact N-O 2.57Å; L398-V409 HydrophobicContact CD2-CG2 4.1Å; L398-T413 HydrophobicContact CD2-CG2 4.46Å
399	M	77	Confident	61.7	Low	109 Å²	109	61.5 Å²	61.5	54%	0.537	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	13.3	-175.2	-58.4	-58	-65	0	0	113.4	D397 T413	D397-M399 PolarHBondContact O-N 2.84Å; D397-M399 PolarHBondContact OD1-N 3.44Å; M399-T413 HydrophobicContact CG-CG2 3.56Å; M399-T413 WeakPolarHBondContact CG-OG1 3.43Å; M399-T413 HydrophobicContact SD-CG2 4.47Å
400	T	74	Confident	62	Low	46 Å²	46	59.5 Å²	59.5	28%	0.282	31%	0.307	S	S	.	.	S	Bend	trans	-75.7	149.6	172	59.6	0	0	0	0	112.2	N396 D397 L398 Y402	N396-T400 HydrophobicContact CB-CG2 4.09Å; N396-T400 WeakPolarHBondContact CB-OG1 3.23Å; D397-T400 HydrophobicContact CB-CG2 4.02Å; D397-T400 WeakPolarHBondContact O-CB 3.33Å; D397-T400 VanDerWaalsContact O-CG2 3.31Å; D397-T400 WeakPolarHBondContact O-CG2 3.33Å; D397-T400 PolarHBondContact O-N 2.87Å; D397-T400 PolarHBondContact O-OG1 2.87Å; L398-T400 VanDerWaalsContact C-N 3.31Å; L398-T400 PolarHBondContact O-N 2.82Å; T400-Y402 PolarHBondContact O-N 2.61Å
401	P	67.7	Low	62.7	Low	120 Å²	120	66.1 Å²	66.1	78%	0.779	33%	0.331	S	S	*	.	S	Bend	trans	-70.5	-11.6	-176	27	-34.9	0	0	0	114.3
402	Y	62.6	Low	63.9	Low	123 Å²	123	66.1 Å²	66.1	48%	0.482	34%	0.335	S	S	.	.	S	Bend	trans	-120.3	100	179.1	-163.9	-93.4	0	0	0	109.6	T400 L404 F519	T400-Y402 PolarHBondContact O-N 2.61Å; Y402-L404 HydrophobicContact CD1-CD2 4.25Å; Y402-L404 HydrophobicContact CD1-CG 4.14Å; Y402-L404 HydrophobicContact CE1-CD2 3.86Å; Y402-L404 HydrophobicContact CE1-CG 4.25Å; Y402-L404 PolarHBondContact O-N 2.92Å; Y402-F519 HydrophobicContact CD2-CE1 4.4Å; Y402-F519 HydrophobicContact CG-CE2 4.5Å; Y402-F519 HydrophobicContact CG-CZ 4.34Å
403	Q	51.8	Low	65.8	Low	103 Å²	103	63.4 Å²	63.4	48%	0.481	32%	0.321	S	S	.	.			trans	-73.2	103.6	174.9	-77.8	-177.9	-24.8	0	0	109.7
404	L	51.4	Low	67.7	Low	30 Å²	30	60.9 Å²	60.9	16%	0.157	31%	0.31	C	S	.	.			trans	-72.3	157.1	158.3	-71.6	166.6	0	0	0	108.6	N396 Y402 S406	N396-L404 WeakPolarHBondContact ND2-CD1 3.2Å; Y402-L404 HydrophobicContact CD1-CD2 4.25Å; Y402-L404 HydrophobicContact CD1-CG 4.14Å; Y402-L404 HydrophobicContact CE1-CD2 3.86Å; Y402-L404 HydrophobicContact CE1-CG 4.25Å; Y402-L404 PolarHBondContact O-N 2.92Å; L404-S406 CarbonylContact O-C 3.51Å; L404-S406 PolarHBondContact O-N 3.07Å
405	E	42.7	Very low	70	Confident	151 Å²	151	60.2 Å²	60.2	71%	0.706	31%	0.31	S	S	*	.	S	Bend	trans	-55.5	-13.5	-173.8	-71.3	-175	154.1	0	0	114.9	H531	E405-H531 IonicContact OE1-CD2 3.02Å; E405-H531 IonicContact OE2-CD2 3.6Å; E405-H531 PolarHBondContact OE2-CD2 3.34Å; E405-H531 IonicContact OE2-NE2 2.91Å; E405-H531 PolarHBondContact OE2-NE2 2.04Å
406	S	52	Low	71.6	Confident	33 Å²	33	65.3 Å²	65.3	23%	0.231	33%	0.329	C	S	.	.	S	Bend	trans	-129.1	130.6	174.3	24.9	0	0	0	0	107.7	H395 L404	H395-S406 WeakPolarHBondContact CB-O 3.5Å; H395-S406 WeakPolarHBondContact CD2-CB 3.45Å; H395-S406 PolarHBondContact CD2-OG 3.11Å; H395-S406 PolarHBondContact NE2-OG 2.76Å; H395-S406 VanDerWaalsContact NE2-OG 3.07Å; L404-S406 CarbonylContact O-C 3.51Å; L404-S406 PolarHBondContact O-N 3.07Å
407	S	61.1	Low	73	Confident	43 Å²	43	65.7 Å²	65.7	30%	0.301	33%	0.329	S	S	.	.			trans	-129.7	136.2	-179.4	-31.9	0	0	0	0	109.3	N396	N396-S407 WeakPolarHBondContact O-CA 3.37Å
408	C	67.5	Low	73.9	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-91.5	129.5	-178.8	158.9	0	0	0	0	110.4	H395 N396 D397 L398 S410 D431 F433	H395-C408 WeakPolarHBondContact O-CB 3.33Å; H395-C408 PolarHBondContact O-N 3.32Å; N396-C408 PolarHBondContact O-N 2.92Å; D397-C408 CarbonylContact C-O 3.52Å; D397-C408 WeakPolarHBondContact CA-O 2.85Å; L398-C408 PolarHBondContact N-O 2.57Å; C408-S410 PolarHBondContact O-N 2.86Å; C408-S410 VanDerWaalsContact O-N 3.15Å; C408-D431 WeakPolarHBondContact CA-OD2 3.29Å; C408-D431 HydrophobicContact CB-CB 4.09Å; C408-D431 WeakPolarHBondContact SG-CB 3.42Å; C408-F433 HydrophobicContact CB-CD2 4.44Å
409	V	79.5	Confident	74.6	Confident	47 Å²	47	72.1 Å²	72.1	29%	0.285	36%	0.361	S	S	.	.			trans	-83.2	87.5	166.3	-171.9	0	0	0	0	108.7	L398 T413 L414 D431	L398-V409 HydrophobicContact CD2-CG2 4.1Å; V409-T413 HydrophobicContact CG1-CG2 4.35Å; V409-L414 HydrophobicContact CG1-CD2 3.57Å; V409-L414 HydrophobicContact CG1-CG 3.91Å; V409-D431 PolarHBondContact N-OD2 2.72Å; V409-D431 PolarHBondContact O-N 3.21Å
410	S	85.5	Confident	75.3	Confident	1 Å²	1	69.8 Å²	69.8	1%	0.007	35%	0.35	C	S	.	.			trans	-74.8	166.3	-177.8	92.3	0	0	0	0	112.4	D397 C408 I412 T413 L414	D397-S410 WeakPolarHBondContact OD2-CB 3.24Å; D397-S410 PolarHBondContact OD2-OG 2.84Å; C408-S410 PolarHBondContact O-N 2.86Å; C408-S410 VanDerWaalsContact O-N 3.15Å; S410-I412 PolarHBondContact O-N 2.03Å; S410-I412 VanDerWaalsContact O-N 3.16Å; S410-I412 WeakPolarHBondContact OG-CB 3.38Å; S410-I412 PolarHBondContact OG-N 3.34Å; S410-T413 PolarHBondContact O-N 3.42Å; S410-T413 VanDerWaalsContact O-N 3.17Å; S410-L414 PolarHBondContact O-N 2.76Å
411	R	88.9	Confident	75.7	Confident	146 Å²	146	74.9 Å²	74.9	55%	0.551	38%	0.376	S	S	*	.	H	α-helix	trans	-55.6	-27.5	169.3	-61.5	-178.2	68.2	86.7	5.7	113.2	A415 Y427 A430	R411-A415 VanDerWaalsContact O-CB 3.26Å; R411-A415 WeakPolarHBondContact O-CB 3.49Å; R411-A415 PolarHBondContact O-N 3.42Å; R411-Y427 HydrophobicContact CB-CD1 4.33Å; R411-Y427 HydrophobicContact CG-CD1 4.43Å; R411-Y427 PolarHBondContact NH1-O 3.11Å; R411-A430 HydrophobicContact CB-CB 4.38Å; R411-A430 HydrophobicContact CG-CB 3.39Å
412	I	88	Confident	75.9	Confident	118 Å²	118	74.7 Å²	74.7	61%	0.605	37%	0.366	S	S	*	.	H	α-helix	trans	-70.3	-46.5	178.7	-60.5	169.8	0	0	0	109.8	S410 A415 Y416	S410-I412 PolarHBondContact O-N 2.03Å; S410-I412 VanDerWaalsContact O-N 3.16Å; S410-I412 WeakPolarHBondContact OG-CB 3.38Å; S410-I412 PolarHBondContact OG-N 3.34Å; I412-A415 PolarHBondContact O-N 2.98Å; I412-Y416 PolarHBondContact O-N 2.94Å
413	T	87.7	Confident	76.6	Confident	6 Å²	6	74.9 Å²	74.9	4%	0.037	37%	0.366	C	S	.	.	H	α-helix	trans	-66.8	-40.8	177.6	-80.6	0	0	0	0	112.2	D397 L398 M399 V409 S410 A415 Y416 F417	D397-T413 VanDerWaalsContact CG-OG1 3.27Å; D397-T413 PolarHBondContact OD1-OG1 3.36Å; D397-T413 PolarHBondContact OD2-OG1 2.87Å; L398-T413 HydrophobicContact CD2-CG2 4.46Å; M399-T413 HydrophobicContact CG-CG2 3.56Å; M399-T413 WeakPolarHBondContact CG-OG1 3.43Å; M399-T413 HydrophobicContact SD-CG2 4.47Å; V409-T413 HydrophobicContact CG1-CG2 4.35Å; S410-T413 PolarHBondContact O-N 3.42Å; S410-T413 VanDerWaalsContact O-N 3.17Å; T413-A415 VanDerWaalsContact C-N 3.35Å; T413-A415 PolarHBondContact O-N 3.09Å; T413-Y416 WeakPolarHBondContact O-CB 3.04Å; T413-Y416 PolarHBondContact O-N 2.89Å; T413-F417 HydrophobicContact CG2-CD2 3.97Å; T413-F417 HydrophobicContact CG2-CE2 3.67Å; T413-F417 WeakPolarHBondContact O-CD2 3.33Å; T413-F417 PolarHBondContact O-N 2.82Å; T413-F417 VanDerWaalsContact O-N 3.13Å
414	L	85.9	Confident	78.1	Confident	24 Å²	24	79.7 Å²	79.7	13%	0.126	39%	0.389	C	S	.	.	H	α-helix	trans	-58.4	-45.5	171	-73.9	-167.1	0	0	0	111.9	V409 S410 Y416 F417 E418 V425 Y427 A430	V409-L414 HydrophobicContact CG1-CD2 3.57Å; V409-L414 HydrophobicContact CG1-CG 3.91Å; S410-L414 PolarHBondContact O-N 2.76Å; L414-Y416 VanDerWaalsContact C-N 3.34Å; L414-Y416 PolarHBondContact O-N 3.49Å; L414-F417 PolarHBondContact O-N 3.03Å; L414-F417 VanDerWaalsContact O-N 3.17Å; L414-E418 PolarHBondContact O-N 2.7Å; L414-V425 HydrophobicContact CB-CG1 3.54Å; L414-V425 HydrophobicContact CD1-CG1 4.08Å; L414-V425 HydrophobicContact CD2-CG1 4.08Å; L414-V425 HydrophobicContact CG-CG1 4.09Å; L414-V425 WeakPolarHBondContact O-CG2 3.07Å; L414-Y427 HydrophobicContact CB-CD1 4.23Å; L414-Y427 HydrophobicContact CB-CE1 4.08Å; L414-Y427 HydrophobicContact CD1-CD1 4.44Å; L414-A430 HydrophobicContact CD1-CB 3.71Å
415	A	89.7	Confident	79.5	Confident	28 Å²	28	79.4 Å²	79.4	23%	0.231	39%	0.388	C	S	.	.	H	α-helix	trans	-62.6	-38.7	176.8	0	0	0	0	0	112.9	R411 I412 T413 F417 E418 D419 Y427	R411-A415 VanDerWaalsContact O-CB 3.26Å; R411-A415 WeakPolarHBondContact O-CB 3.49Å; R411-A415 PolarHBondContact O-N 3.42Å; I412-A415 PolarHBondContact O-N 2.98Å; T413-A415 VanDerWaalsContact C-N 3.35Å; T413-A415 PolarHBondContact O-N 3.09Å; A415-F417 VanDerWaalsContact C-N 3.32Å; A415-F417 PolarHBondContact O-N 2.77Å; A415-E418 PolarHBondContact O-N 3.3Å; A415-D419 WeakPolarHBondContact O-CB 3.36Å; A415-D419 PolarHBondContact O-N 3.1Å; A415-Y427 VanDerWaalsContact CA-OH 3.23Å; A415-Y427 WeakPolarHBondContact CA-OH 3.38Å; A415-Y427 HydrophobicContact CB-CE1 4.19Å; A415-Y427 WeakPolarHBondContact CB-OH 3.42Å
416	Y	89.3	Confident	81.5	Confident	124 Å²	124	76.5 Å²	76.5	49%	0.486	38%	0.378	S	S	.	.	H	α-helix	trans	-58.4	-44.4	173.2	170.8	-97.2	0	0	0	111.9	I412 T413 L414 E418 D419 I420	I412-Y416 PolarHBondContact O-N 2.94Å; T413-Y416 WeakPolarHBondContact O-CB 3.04Å; T413-Y416 PolarHBondContact O-N 2.89Å; L414-Y416 VanDerWaalsContact C-N 3.34Å; L414-Y416 PolarHBondContact O-N 3.49Å; Y416-E418 VanDerWaalsContact C-N 3.33Å; Y416-E418 PolarHBondContact O-N 2.83Å; Y416-D419 PolarHBondContact O-N 2.78Å; Y416-I420 HydrophobicContact CD2-CG2 4.38Å; Y416-I420 HydrophobicContact CE1-CD1 4.01Å; Y416-I420 HydrophobicContact CE1-CG2 4.33Å; Y416-I420 HydrophobicContact CE2-CG2 3.9Å; Y416-I420 WeakPolarHBondContact O-CG2 3.01Å; Y416-I420 PolarHBondContact O-N 3.45Å; Y416-I420 VanDerWaalsContact O-N 3.11Å
417	F	86	Confident	83	Confident	55 Å²	55	77.7 Å²	77.7	24%	0.241	38%	0.377	C	S	.	.	H	α-helix	trans	-67	-33.2	178.4	-77.3	-58.9	0	0	0	113.5	T413 L414 A415 I420 Y423 V425	T413-F417 HydrophobicContact CG2-CD2 3.97Å; T413-F417 HydrophobicContact CG2-CE2 3.67Å; T413-F417 WeakPolarHBondContact O-CD2 3.33Å; T413-F417 PolarHBondContact O-N 2.82Å; T413-F417 VanDerWaalsContact O-N 3.13Å; L414-F417 PolarHBondContact O-N 3.03Å; L414-F417 VanDerWaalsContact O-N 3.17Å; A415-F417 VanDerWaalsContact C-N 3.32Å; A415-F417 PolarHBondContact O-N 2.77Å; F417-I420 HydrophobicContact CD1-CD1 3.9Å; F417-I420 HydrophobicContact CE1-CD1 4.45Å; F417-I420 WeakPolarHBondContact O-CG1 3.46Å; F417-Y423 HydrophobicContact CB-CD2 3.97Å; F417-Y423 AromaticContact CD1-CD2 3.61Å; F417-Y423 HydrophobicContact CD1-CD2 3.61Å; F417-Y423 AromaticContact CD1-CE2 3.61Å; F417-Y423 HydrophobicContact CD1-CE2 3.61Å; F417-Y423 HydrophobicContact CE1-CD2 4.46Å; F417-Y423 HydrophobicContact CE1-CE2 4.03Å; F417-Y423 HydrophobicContact CG-CD2 4.07Å; F417-Y423 HydrophobicContact CG-CE2 4.46Å; F417-V425 HydrophobicContact CB-CG2 4.13Å
418	E	88.7	Confident	84	Confident	80 Å²	80	80.2 Å²	80.2	37%	0.374	40%	0.395	S	S	.	.	H	α-helix	trans	-66.3	-48.6	171.7	-169.9	174.3	-132.2	0	0	110.8	L414 A415 Y416 I420 N421 V425 Y427	L414-E418 PolarHBondContact O-N 2.7Å; A415-E418 PolarHBondContact O-N 3.3Å; Y416-E418 VanDerWaalsContact C-N 3.33Å; Y416-E418 PolarHBondContact O-N 2.83Å; E418-I420 VanDerWaalsContact C-N 3.33Å; E418-I420 PolarHBondContact O-N 3.06Å; E418-N421 WeakPolarHBondContact O-CA 3.46Å; E418-N421 PolarHBondContact O-N 2.84Å; E418-V425 HydrophobicContact CB-CB 4.22Å; E418-V425 HydrophobicContact CB-CG2 4Å; E418-Y427 VanDerWaalsContact OE2-CE2 3.29Å; E418-Y427 WeakPolarHBondContact OE2-CE2 3.3Å; E418-Y427 PolarHBondContact OE2-OH 3.32Å
419	D	90.6	Very high	84.4	Confident	127 Å²	127	87 Å²	87	68%	0.679	43%	0.429	S	S	*	.	H	α-helix	trans	-62.4	-34.8	-177.5	-83.2	-20.8	0	0	0	113.3	A415 Y416 N421	A415-D419 WeakPolarHBondContact O-CB 3.36Å; A415-D419 PolarHBondContact O-N 3.1Å; Y416-D419 PolarHBondContact O-N 2.78Å; D419-N421 PolarHBondContact O-N 3.17Å
420	I	91.1	Very high	84.4	Confident	61 Å²	61	85.9 Å²	85.9	31%	0.313	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	0.2	175.6	67.9	175	0	0	0	113.1	Y416 F417 E418 M422	Y416-I420 HydrophobicContact CD2-CG2 4.38Å; Y416-I420 HydrophobicContact CE1-CD1 4.01Å; Y416-I420 HydrophobicContact CE1-CG2 4.33Å; Y416-I420 HydrophobicContact CE2-CG2 3.9Å; Y416-I420 WeakPolarHBondContact O-CG2 3.01Å; Y416-I420 PolarHBondContact O-N 3.45Å; Y416-I420 VanDerWaalsContact O-N 3.11Å; F417-I420 HydrophobicContact CD1-CD1 3.9Å; F417-I420 HydrophobicContact CE1-CD1 4.45Å; F417-I420 WeakPolarHBondContact O-CG1 3.46Å; E418-I420 VanDerWaalsContact C-N 3.33Å; E418-I420 PolarHBondContact O-N 3.06Å; I420-M422 HydrophobicContact CD1-CB 4.1Å; I420-M422 HydrophobicContact CD1-CG 3.96Å; I420-M422 HydrophobicContact CD1-SD 3.72Å; I420-M422 HydrophobicContact CG1-CB 4Å; I420-M422 HydrophobicContact CG1-CG 3.94Å; I420-M422 HydrophobicContact CG1-SD 4.34Å; I420-M422 PolarHBondContact O-N 2.87Å; I420-M422 VanDerWaalsContact O-N 3.13Å
421	N	82	Confident	84	Confident	153 Å²	153	87.1 Å²	87.1	82%	0.818	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	30.5	178.4	-71.9	-54	0	0	0	114.1	E418 D419	E418-N421 WeakPolarHBondContact O-CA 3.46Å; E418-N421 PolarHBondContact O-N 2.84Å; D419-N421 PolarHBondContact O-N 3.17Å
422	M	72.7	Confident	83.3	Confident	115 Å²	115	82 Å²	82	57%	0.567	42%	0.415	S	S	*	.	S	Bend	trans	-95.7	-20.5	177.1	-70.6	-170.9	59.7	0	0	112.6	I420	I420-M422 HydrophobicContact CD1-CB 4.1Å; I420-M422 HydrophobicContact CD1-CG 3.96Å; I420-M422 HydrophobicContact CD1-SD 3.72Å; I420-M422 HydrophobicContact CG1-CB 4Å; I420-M422 HydrophobicContact CG1-CG 3.94Å; I420-M422 HydrophobicContact CG1-SD 4.34Å; I420-M422 PolarHBondContact O-N 2.87Å; I420-M422 VanDerWaalsContact O-N 3.13Å
423	Y	77.5	Confident	82.9	Confident	127 Å²	127	78.6 Å²	78.6	50%	0.498	40%	0.396	S	S	.	.			trans	-142.4	147.8	-173.5	-55.5	-80.8	0	0	0	111	F417	F417-Y423 HydrophobicContact CB-CD2 3.97Å; F417-Y423 AromaticContact CD1-CD2 3.61Å; F417-Y423 HydrophobicContact CD1-CD2 3.61Å; F417-Y423 AromaticContact CD1-CE2 3.61Å; F417-Y423 HydrophobicContact CD1-CE2 3.61Å; F417-Y423 HydrophobicContact CE1-CD2 4.46Å; F417-Y423 HydrophobicContact CE1-CE2 4.03Å; F417-Y423 HydrophobicContact CG-CD2 4.07Å; F417-Y423 HydrophobicContact CG-CE2 4.46Å
424	E	81.8	Confident	82.5	Confident	204 Å²	204	81.1 Å²	81.1	95%	0.953	41%	0.406	S	S	*	.			trans	-89.1	127.3	161.5	-172.2	175.1	-174.3	0	0	107.5
425	V	82	Confident	82.3	Confident	24 Å²	24	83.5 Å²	83.5	15%	0.145	41%	0.413	C	S	.	.			trans	-113.5	128.9	-163.9	166.4	0	0	0	0	110.6	L414 F417 E418 Y427	L414-V425 HydrophobicContact CB-CG1 3.54Å; L414-V425 HydrophobicContact CD1-CG1 4.08Å; L414-V425 HydrophobicContact CD2-CG1 4.08Å; L414-V425 HydrophobicContact CG-CG1 4.09Å; L414-V425 WeakPolarHBondContact O-CG2 3.07Å; F417-V425 HydrophobicContact CB-CG2 4.13Å; E418-V425 HydrophobicContact CB-CB 4.22Å; E418-V425 HydrophobicContact CB-CG2 4Å; V425-Y427 HydrophobicContact CG1-CD2 4.27Å; V425-Y427 HydrophobicContact CG1-CE1 4.48Å; V425-Y427 HydrophobicContact CG1-CE2 4.14Å; V425-Y427 HydrophobicContact CG1-CG 4.49Å
426	D	84.2	Confident	82.1	Confident	91 Å²	91	83 Å²	83	49%	0.487	41%	0.411	S	S	.	.			trans	-98.4	100.4	172	-172.5	-9.9	0	0	0	110.8	S428 M429	D426-S428 PolarHBondContact O-N 3.26Å; D426-S428 VanDerWaalsContact O-N 3.15Å; D426-S428 WeakPolarHBondContact OD1-CB 3.36Å; D426-S428 PolarHBondContact OD1-N 2.94Å; D426-S428 PolarHBondContact OD1-OG 3.16Å; D426-S428 PolarHBondContact OD2-OG 3.05Å; D426-S428 VanDerWaalsContact OD2-OG 3.09Å; D426-M429 HydrophobicContact CB-CG 4.47Å; D426-M429 PolarHBondContact O-N 3.11Å; D426-M429 VanDerWaalsContact O-N 3.14Å
427	Y	84.3	Confident	81.9	Confident	57 Å²	57	82.9 Å²	82.9	22%	0.224	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-65.4	-11.5	177.8	-73.2	-80.8	0	0	0	114.8	R411 L414 A415 E418 V425 A430	R411-Y427 HydrophobicContact CB-CD1 4.33Å; R411-Y427 HydrophobicContact CG-CD1 4.43Å; R411-Y427 PolarHBondContact NH1-O 3.11Å; L414-Y427 HydrophobicContact CB-CD1 4.23Å; L414-Y427 HydrophobicContact CB-CE1 4.08Å; L414-Y427 HydrophobicContact CD1-CD1 4.44Å; A415-Y427 VanDerWaalsContact CA-OH 3.23Å; A415-Y427 WeakPolarHBondContact CA-OH 3.38Å; A415-Y427 HydrophobicContact CB-CE1 4.19Å; A415-Y427 WeakPolarHBondContact CB-OH 3.42Å; E418-Y427 VanDerWaalsContact OE2-CE2 3.29Å; E418-Y427 WeakPolarHBondContact OE2-CE2 3.3Å; E418-Y427 PolarHBondContact OE2-OH 3.32Å; V425-Y427 HydrophobicContact CG1-CD2 4.27Å; V425-Y427 HydrophobicContact CG1-CE1 4.48Å; V425-Y427 HydrophobicContact CG1-CE2 4.14Å; V425-Y427 HydrophobicContact CG1-CG 4.49Å; Y427-A430 VanDerWaalsContact O-CB 3.31Å; Y427-A430 WeakPolarHBondContact O-CB 3.39Å; Y427-A430 PolarHBondContact O-N 3.05Å
428	S	80.5	Confident	81.9	Confident	97 Å²	97	84 Å²	84	68%	0.678	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-72.3	-21.4	174	75.4	0	0	0	0	112.3	D426 A430	D426-S428 PolarHBondContact O-N 3.26Å; D426-S428 VanDerWaalsContact O-N 3.15Å; D426-S428 WeakPolarHBondContact OD1-CB 3.36Å; D426-S428 PolarHBondContact OD1-N 2.94Å; D426-S428 PolarHBondContact OD1-OG 3.16Å; D426-S428 PolarHBondContact OD2-OG 3.05Å; D426-S428 VanDerWaalsContact OD2-OG 3.09Å; S428-A430 VanDerWaalsContact C-N 3.29Å
429	M	77.4	Confident	81.9	Confident	141 Å²	141	81.3 Å²	81.3	70%	0.695	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-85.2	1	173.6	-66.5	-175.2	39.3	0	0	113.5	D426 D431	D426-M429 HydrophobicContact CB-CG 4.47Å; D426-M429 PolarHBondContact O-N 3.11Å; D426-M429 VanDerWaalsContact O-N 3.14Å; M429-D431 PolarHBondContact O-N 3.01Å
430	A	79	Confident	81.9	Confident	24 Å²	24	77.5 Å²	77.5	20%	0.198	42%	0.419	C	S	.	.			trans	-68.8	132.2	-179.4	0	0	0	0	0	111.4	R411 L414 Y427 S428	R411-A430 HydrophobicContact CB-CB 4.38Å; R411-A430 HydrophobicContact CG-CB 3.39Å; L414-A430 HydrophobicContact CD1-CB 3.71Å; Y427-A430 VanDerWaalsContact O-CB 3.31Å; Y427-A430 WeakPolarHBondContact O-CB 3.39Å; Y427-A430 PolarHBondContact O-N 3.05Å; S428-A430 VanDerWaalsContact C-N 3.29Å
431	D	76.3	Confident	81.9	Confident	28 Å²	28	79 Å²	79	15%	0.15	43%	0.434	C	S	.	.			trans	-69.2	153.9	174.2	-70.9	-18.5	0	0	0	111.4	H393 C408 V409 M429 F433	H393-D431 HydrophobicContact CB-CB 3.94Å; H393-D431 IonicContact CD2-OD1 3.75Å; H393-D431 IonicContact CE1-OD1 2.77Å; H393-D431 PolarHBondContact CE1-OD1 3.02Å; H393-D431 IonicContact CE1-OD2 3.71Å; H393-D431 VanDerWaalsContact CG-CG 3.5Å; H393-D431 IonicContact CG-OD1 3.15Å; H393-D431 IonicContact CG-OD2 3.89Å; H393-D431 IonicContact ND1-OD1 3.48Å; H393-D431 PolarHBondContact ND1-OD1 3.25Å; H393-D431 IonicContact ND1-OD2 3.57Å; H393-D431 PolarHBondContact ND1-OD2 2.89Å; H393-D431 IonicContact NE2-OD1 3.97Å; C408-D431 WeakPolarHBondContact CA-OD2 3.29Å; C408-D431 HydrophobicContact CB-CB 4.09Å; C408-D431 WeakPolarHBondContact SG-CB 3.42Å; V409-D431 PolarHBondContact N-OD2 2.72Å; V409-D431 PolarHBondContact O-N 3.21Å; M429-D431 PolarHBondContact O-N 3.01Å; D431-F433 PolarHBondContact O-N 3.21Å
432	D	74.6	Confident	82.2	Confident	38 Å²	38	74.6 Å²	74.6	20%	0.203	41%	0.411	C	S	.	.			trans	-81.5	83.9	178.3	-168.6	37.5	0	0	0	112.3	K344 K434 K437	K344-D432 WeakPolarHBondContact CE-OD2 3.44Å; K344-D432 IonicContact NZ-OD1 2.78Å; K344-D432 IonicContact NZ-OD2 2.85Å; K344-D432 PolarHBondContact NZ-OD2 2.86Å; D432-K434 PolarHBondContact O-N 3.04Å; D432-K437 IonicContact OD1-NZ 2.77Å; D432-K437 PolarHBondContact OD1-NZ 3.39Å; D432-K437 IonicContact OD2-NZ 3.57Å; D432-K437 PolarHBondContact OD2-NZ 2.76Å
433	F	79.4	Confident	83.1	Confident	47 Å²	47	70.5 Å²	70.5	21%	0.206	39%	0.39	C	S	.	.			trans	-66.7	106.1	175.4	-171.8	-123.6	0	0	0	111.7	D397 C408 D431 W435	D397-F433 HydrophobicContact CB-CD2 4.37Å; D397-F433 HydrophobicContact CB-CE2 4Å; D397-F433 HydrophobicContact CB-CZ 4.17Å; C408-F433 HydrophobicContact CB-CD2 4.44Å; D431-F433 PolarHBondContact O-N 3.21Å; F433-W435 HydrophobicContact CE1-CB 4.22Å; F433-W435 WeakPolarHBondContact CE1-O 3.26Å; F433-W435 HydrophobicContact CE2-CB 3.87Å; F433-W435 HydrophobicContact CZ-CB 3.67Å; F433-W435 HydrophobicContact CZ-CG 4.2Å
434	K	78.7	Confident	83.5	Confident	59 Å²	59	69.7 Å²	69.7	26%	0.257	40%	0.398	S	S	.	.			trans	-80.9	-33.2	-175.6	-68.6	177.8	175	169.1	0	114	D394 D432 G436 K437 Y477	D394-K434 WeakPolarHBondContact OD1-CD 2.88Å; D394-K434 WeakPolarHBondContact OD1-CE 2.87Å; D394-K434 IonicContact OD1-NZ 2.76Å; D394-K434 PolarHBondContact OD1-NZ 3.05Å; D394-K434 IonicContact OD2-NZ 2.72Å; D394-K434 PolarHBondContact OD2-NZ 2.91Å; D432-K434 PolarHBondContact O-N 3.04Å; K434-G436 PolarHBondContact O-N 2.84Å; K434-K437 WeakPolarHBondContact O-CB 3.4Å; K434-K437 PolarHBondContact O-N 3.47Å; K434-Y477 HydrophobicContact CB-CD1 3.85Å; K434-Y477 HydrophobicContact CB-CE1 4.49Å; K434-Y477 HydrophobicContact CB-CG 4.11Å; K434-Y477 WeakPolarHBondContact CD-O 3.43Å; K434-Y477 PolarHBondContact NZ-O 3.36Å; K434-Y477 WeakPolarHBondContact O-CE1 2.75Å
435	W	82.8	Confident	83.9	Confident	73 Å²	73	66.7 Å²	66.7	28%	0.277	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	124.4	-175.5	176.8	-89.5	0	0	0	111.6	F433 K437 F443 P464 Y477 V525	F433-W435 HydrophobicContact CE1-CB 4.22Å; F433-W435 WeakPolarHBondContact CE1-O 3.26Å; F433-W435 HydrophobicContact CE2-CB 3.87Å; F433-W435 HydrophobicContact CZ-CB 3.67Å; F433-W435 HydrophobicContact CZ-CG 4.2Å; W435-K437 PolarHBondContact O-N 2.89Å; W435-F443 HydrophobicContact CZ2-CZ 4.25Å; W435-F443 AromaticContact NE1-CZ 3.7Å; W435-P464 HydrophobicContact CE3-CB 4.03Å; W435-P464 HydrophobicContact CE3-CG 4.24Å; W435-P464 HydrophobicContact CH2-CB 3.54Å; W435-P464 HydrophobicContact CH2-CG 3.41Å; W435-P464 VanDerWaalsContact CH2-CG 3.41Å; W435-P464 HydrophobicContact CZ2-CB 4.4Å; W435-P464 HydrophobicContact CZ2-CG 3.81Å; W435-P464 HydrophobicContact CZ3-CB 3.35Å; W435-P464 HydrophobicContact CZ3-CG 3.69Å; W435-Y477 HydrophobicContact CB-CE2 4.41Å; W435-Y477 HydrophobicContact CD2-CE2 4.25Å; W435-Y477 AromaticContact CE3-CD2 4Å; W435-Y477 HydrophobicContact CE3-CD2 4Å; W435-Y477 AromaticContact CE3-CE2 3.64Å; W435-Y477 HydrophobicContact CE3-CE2 3.64Å; W435-Y477 HydrophobicContact CZ3-CE2 4.23Å; W435-V525 HydrophobicContact CH2-CB 4.2Å; W435-V525 HydrophobicContact CH2-CG1 3.35Å; W435-V525 HydrophobicContact CH2-CG2 3.74Å; W435-V525 HydrophobicContact CZ2-CG2 4.41Å; W435-V525 HydrophobicContact CZ3-CG1 3.52Å
436	G	85.5	Confident	84.3	Confident	18 Å²	18	68.2 Å²	68.2	19%	0.186	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	-4.9	-179.7	0	0	0	0	0	115.1	K434 G438 L439 F443 Y477	K434-G436 PolarHBondContact O-N 2.84Å; G436-G438 PolarHBondContact O-N 2.82Å; G436-L439 PolarHBondContact O-N 2.79Å; G436-F443 VanDerWaalsContact CA-CE1 3.47Å; G436-Y477 PolarHBondContact N-OH 2.81Å
437	K	84.6	Confident	84.7	Confident	121 Å²	121	66.1 Å²	66.1	53%	0.526	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	123.2	-176.7	-170.8	175.5	179.8	179.2	0	110.7	D432 K434 W435 L439	D432-K437 IonicContact OD1-NZ 2.77Å; D432-K437 PolarHBondContact OD1-NZ 3.39Å; D432-K437 IonicContact OD2-NZ 3.57Å; D432-K437 PolarHBondContact OD2-NZ 2.76Å; K434-K437 WeakPolarHBondContact O-CB 3.4Å; K434-K437 PolarHBondContact O-N 3.47Å; W435-K437 PolarHBondContact O-N 2.89Å; K437-L439 VanDerWaalsContact C-N 3.27Å; K437-L439 PolarHBondContact O-N 2.69Å
438	G	86.1	Confident	85.1	Confident	79 Å²	79	63.6 Å²	63.6	81%	0.814	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	6.1	178.2	0	0	0	0	0	115.5	G436	G436-G438 PolarHBondContact O-N 2.82Å
439	L	89	Confident	85.6	Confident	23 Å²	23	61.7 Å²	61.7	12%	0.12	35%	0.354	C	S	.	.			trans	-81.4	-14.8	-178.2	-56.9	-173.8	0	0	0	114.3	G436 K437 F443 Y451 R455 P464	G436-L439 PolarHBondContact O-N 2.79Å; K437-L439 VanDerWaalsContact C-N 3.27Å; K437-L439 PolarHBondContact O-N 2.69Å; L439-F443 HydrophobicContact CB-CB 3.56Å; L439-F443 HydrophobicContact CB-CD1 4.17Å; L439-F443 HydrophobicContact CB-CD2 4.29Å; L439-F443 HydrophobicContact CB-CG 3.75Å; L439-F443 HydrophobicContact CD1-CB 4.38Å; L439-F443 HydrophobicContact CD1-CD1 4.14Å; L439-F443 HydrophobicContact CD1-CD2 3.52Å; L439-F443 HydrophobicContact CD1-CE1 4.31Å; L439-F443 HydrophobicContact CD1-CE2 3.7Å; L439-F443 HydrophobicContact CD1-CG 3.75Å; L439-F443 HydrophobicContact CD1-CZ 4.1Å; L439-F443 HydrophobicContact CG-CG 4.41Å; L439-Y451 HydrophobicContact CB-CE2 4.47Å; L439-Y451 WeakPolarHBondContact CD2-OH 3.2Å; L439-R455 PolarHBondContact O-NH2 3.46Å; L439-P464 VanDerWaalsContact CD1-CD 3.46Å; L439-P464 HydrophobicContact CD1-CG 4.31Å
440	G	90.3	Very high	86.3	Confident	48 Å²	48	58.6 Å²	58.6	50%	0.495	34%	0.337	S	S	.	.			trans	80.8	-176.4	172.9	0	0	0	0	0	114.5	D442 F443	G440-D442 VanDerWaalsContact C-N 3.28Å; G440-D442 PolarHBondContact O-N 2.84Å; G440-F443 WeakPolarHBondContact O-CB 3.4Å; G440-F443 PolarHBondContact O-N 2.72Å
441	C	90.2	Very high	87	Confident	92 Å²	92	57.5 Å²	57.5	62%	0.622	33%	0.328	S	S	*	.	H	α-helix	trans	-63.7	-32.4	-174.9	-58.9	0	0	0	0	113.3	F443 V444 L445	C441-F443 PolarHBondContact O-N 3.01Å; C441-V444 PolarHBondContact O-N 2.81Å; C441-V444 VanDerWaalsContact O-N 3.11Å; C441-L445 HydrophobicContact CB-CD1 4.14Å; C441-L445 WeakPolarHBondContact O-CB 3.26Å; C441-L445 PolarHBondContact O-N 3.32Å
442	D	88.9	Confident	87.7	Confident	60 Å²	60	56.2 Å²	56.2	32%	0.321	32%	0.321	S	S	.	.	H	α-helix	trans	-59.5	-36.2	179	-70.9	-25.9	0	0	0	111.4	G440 K446 Y451	G440-D442 VanDerWaalsContact C-N 3.28Å; G440-D442 PolarHBondContact O-N 2.84Å; D442-K446 HydrophobicContact CB-CD 3.99Å; D442-K446 WeakPolarHBondContact O-CB 3.39Å; D442-K446 PolarHBondContact O-N 2.78Å; D442-K446 WeakPolarHBondContact OD1-CE 3.27Å; D442-K446 IonicContact OD1-NZ 3.66Å; D442-K446 PolarHBondContact OD1-NZ 3.15Å; D442-Y451 HydrophobicContact CB-CD2 4.32Å
443	F	91.3	Very high	88.5	Confident	29 Å²	29	59.4 Å²	59.4	13%	0.127	33%	0.334	C	S	.	.	H	α-helix	trans	-66.8	-37.3	176.3	174.2	-105.9	0	0	0	113	W435 G436 L439 G440 C441 Y451 P464 Y465	W435-F443 HydrophobicContact CZ2-CZ 4.25Å; W435-F443 AromaticContact NE1-CZ 3.7Å; G436-F443 VanDerWaalsContact CA-CE1 3.47Å; L439-F443 HydrophobicContact CB-CB 3.56Å; L439-F443 HydrophobicContact CB-CD1 4.17Å; L439-F443 HydrophobicContact CB-CD2 4.29Å; L439-F443 HydrophobicContact CB-CG 3.75Å; L439-F443 HydrophobicContact CD1-CB 4.38Å; L439-F443 HydrophobicContact CD1-CD1 4.14Å; L439-F443 HydrophobicContact CD1-CD2 3.52Å; L439-F443 HydrophobicContact CD1-CE1 4.31Å; L439-F443 HydrophobicContact CD1-CE2 3.7Å; L439-F443 HydrophobicContact CD1-CG 3.75Å; L439-F443 HydrophobicContact CD1-CZ 4.1Å; L439-F443 HydrophobicContact CG-CG 4.41Å; G440-F443 WeakPolarHBondContact O-CB 3.4Å; G440-F443 PolarHBondContact O-N 2.72Å; C441-F443 PolarHBondContact O-N 3.01Å; F443-Y451 HydrophobicContact CB-CD2 4.03Å; F443-Y451 HydrophobicContact CB-CE2 3.72Å; F443-Y451 HydrophobicContact CD2-CE2 4.22Å; F443-Y451 HydrophobicContact CG-CE2 4.46Å; F443-P464 HydrophobicContact CE2-CG 4.03Å; F443-Y465 HydrophobicContact CD2-CE2 4.05Å; F443-Y465 AromaticContact CE2-CE2 3.99Å; F443-Y465 HydrophobicContact CE2-CE2 3.99Å; F443-Y465 AromaticContact CE2-CZ 3.82Å; F443-Y465 WeakPolarHBondContact CE2-OH 3.16Å
444	V	86.8	Confident	89.1	Confident	111 Å²	111	59.4 Å²	59.4	67%	0.673	33%	0.334	S	S	*	.	H	α-helix	trans	-86.6	-37	-173.7	-179	0	0	0	0	112	C441	C441-V444 PolarHBondContact O-N 2.81Å; C441-V444 VanDerWaalsContact O-N 3.11Å
445	L	89.6	Confident	89.7	Confident	141 Å²	141	59 Å²	59	74%	0.738	33%	0.331	S	S	*	.	H	α-helix	trans	-100.7	-20.1	-168.9	-61.3	179.1	0	0	0	113.7	C441	C441-L445 HydrophobicContact CB-CD1 4.14Å; C441-L445 WeakPolarHBondContact O-CB 3.26Å; C441-L445 PolarHBondContact O-N 3.32Å
446	K	91.8	Very high	89.9	Confident	55 Å²	55	58.9 Å²	58.9	24%	0.239	33%	0.33	C	S	.	.	S	Bend	trans	-104.3	160.2	179.9	-56.2	177.2	167.5	-174.9	0	110.7	D442 E450 E454	D442-K446 HydrophobicContact CB-CD 3.99Å; D442-K446 WeakPolarHBondContact O-CB 3.39Å; D442-K446 PolarHBondContact O-N 2.78Å; D442-K446 WeakPolarHBondContact OD1-CE 3.27Å; D442-K446 IonicContact OD1-NZ 3.66Å; D442-K446 PolarHBondContact OD1-NZ 3.15Å; K446-E450 HydrophobicContact CB-CB 4.14Å; K446-E450 HydrophobicContact CB-CG 4.36Å; K446-E450 HydrophobicContact CD-CG 3.94Å; K446-E450 VanDerWaalsContact CD-OE1 3.3Å; K446-E450 WeakPolarHBondContact CD-OE1 3.23Å; K446-E450 WeakPolarHBondContact CE-OE1 3.48Å; K446-E450 IonicContact NZ-OE1 2.69Å; K446-E450 PolarHBondContact NZ-OE1 3.27Å; K446-E454 IonicContact NZ-OE1 3.01Å; K446-E454 PolarHBondContact NZ-OE1 3.27Å; K446-E454 IonicContact NZ-OE2 3.7Å; K446-E454 PolarHBondContact NZ-OE2 3.01Å
447	S	92.4	Very high	90.1	Very high	48 Å²	48	62.6 Å²	62.6	34%	0.336	35%	0.353	S	S	.	.			trans	-62.8	151.5	169.8	66.6	0	0	0	0	110.7	Y449 E450 Y451	S447-Y449 PolarHBondContact O-N 2.93Å; S447-E450 PolarHBondContact O-N 3.43Å; S447-E450 PolarHBondContact OG-N 3.29Å; S447-Y451 PolarHBondContact O-N 3.13Å
448	C	92.1	Very high	90.4	Very high	3 Å²	3	63.8 Å²	63.8	2%	0.02	36%	0.355	C	S	.	.	H	α-helix	trans	-58.1	-31.9	173.1	51.7	0	0	0	0	112.3	Y451 I452 Y465 Y499 C523	C448-Y451 PolarHBondContact O-N 3.49Å; C448-I452 WeakPolarHBondContact O-CB 3.18Å; C448-I452 VanDerWaalsContact O-CD1 3.27Å; C448-I452 WeakPolarHBondContact O-CD1 2.96Å; C448-I452 WeakPolarHBondContact O-CG1 3.45Å; C448-I452 PolarHBondContact O-N 2.87Å; C448-Y465 HydrophobicContact CB-CD1 4.01Å; C448-Y465 HydrophobicContact CB-CD2 4.21Å; C448-Y465 HydrophobicContact CB-CE1 3.52Å; C448-Y465 HydrophobicContact CB-CE2 3.72Å; C448-Y465 HydrophobicContact CB-CG 4.33Å; C448-Y499 WeakPolarHBondContact SG-CD2 3.26Å; C448-Y499 WeakPolarHBondContact SG-CE2 3.09Å; C448-C523 HydrophobicContact CB-CB 3.68Å; C448-C523 WeakPolarHBondContact CB-SG 3.5Å; C448-C523 VanDerWaalsContact SG-CA 3.51Å; C448-C523 WeakPolarHBondContact SG-CB 3.16Å; C448-C523 CovalentContact SG-SG 2.04Å; C448-C523 PolarHBondContact SG-SG 2.74Å
449	Y	91.6	Very high	90.5	Very high	57 Å²	57	63.6 Å²	63.6	22%	0.224	35%	0.352	C	S	.	.	H	α-helix	trans	-56.9	-52.7	171.2	172.6	-109.8	0	0	0	112.5	S447 Y451 I452 K453 Y499 D501 F504	S447-Y449 PolarHBondContact O-N 2.93Å; Y449-Y451 VanDerWaalsContact C-N 3.34Å; Y449-Y451 PolarHBondContact O-N 3.16Å; Y449-I452 PolarHBondContact O-N 3.17Å; Y449-K453 HydrophobicContact CE1-CD 4.08Å; Y449-K453 VanDerWaalsContact O-CB 3.29Å; Y449-K453 WeakPolarHBondContact O-CB 3.01Å; Y449-K453 PolarHBondContact O-N 3.02Å; Y449-K453 PolarHBondContact OH-NZ 2.95Å; Y449-Y499 WeakPolarHBondContact CD2-O 3.16Å; Y449-D501 HydrophobicContact CE2-CB 4.24Å; Y449-D501 VanDerWaalsContact CE2-OD2 3.28Å; Y449-D501 WeakPolarHBondContact CE2-OD2 3.27Å; Y449-D501 PolarHBondContact OH-OD2 2.96Å; Y449-F504 HydrophobicContact CD2-CE2 4.42Å
450	E	92.4	Very high	90.6	Very high	76 Å²	76	66.9 Å²	66.9	36%	0.355	37%	0.367	S	S	.	.	H	α-helix	trans	-64.7	-42	-177.9	-169.9	-180	162.6	0	0	111	K446 S447 K453 E454	K446-E450 HydrophobicContact CB-CB 4.14Å; K446-E450 HydrophobicContact CB-CG 4.36Å; K446-E450 HydrophobicContact CD-CG 3.94Å; K446-E450 VanDerWaalsContact CD-OE1 3.3Å; K446-E450 WeakPolarHBondContact CD-OE1 3.23Å; K446-E450 WeakPolarHBondContact CE-OE1 3.48Å; K446-E450 IonicContact NZ-OE1 2.69Å; K446-E450 PolarHBondContact NZ-OE1 3.27Å; S447-E450 PolarHBondContact O-N 3.43Å; S447-E450 PolarHBondContact OG-N 3.29Å; E450-K453 PolarHBondContact O-N 3.48Å; E450-E454 WeakPolarHBondContact O-CB 3.28Å; E450-E454 WeakPolarHBondContact O-CG 3.08Å; E450-E454 PolarHBondContact O-N 3.33Å
451	Y	93.2	Very high	90.4	Very high	2 Å²	2	69.8 Å²	69.8	1%	0.008	37%	0.371	C	S	.	.	H	α-helix	trans	-57.9	-50.4	174.5	177.4	-87.2	0	0	0	112.3	L439 D442 F443 S447 C448 Y449 K453 E454 R455 H463 Y465	L439-Y451 HydrophobicContact CB-CE2 4.47Å; L439-Y451 WeakPolarHBondContact CD2-OH 3.2Å; D442-Y451 HydrophobicContact CB-CD2 4.32Å; F443-Y451 HydrophobicContact CB-CD2 4.03Å; F443-Y451 HydrophobicContact CB-CE2 3.72Å; F443-Y451 HydrophobicContact CD2-CE2 4.22Å; F443-Y451 HydrophobicContact CG-CE2 4.46Å; S447-Y451 PolarHBondContact O-N 3.13Å; C448-Y451 PolarHBondContact O-N 3.49Å; Y449-Y451 VanDerWaalsContact C-N 3.34Å; Y449-Y451 PolarHBondContact O-N 3.16Å; Y451-K453 VanDerWaalsContact C-N 3.35Å; Y451-K453 PolarHBondContact O-N 3.11Å; Y451-E454 PolarHBondContact O-N 3.13Å; Y451-R455 VanDerWaalsContact CZ-CZ 3.41Å; Y451-R455 PolarHBondContact O-N 3.08Å; Y451-R455 VanDerWaalsContact O-N 3.1Å; Y451-R455 PolarHBondContact OH-NH1 2.83Å; Y451-R455 PolarHBondContact OH-NH2 2.94Å; Y451-H463 PolarHBondContact OH-O 3.14Å; Y451-Y465 AromaticContact CD1-CD2 3.48Å; Y451-Y465 HydrophobicContact CD1-CD2 3.48Å; Y451-Y465 VanDerWaalsContact CD1-CD2 3.48Å; Y451-Y465 AromaticContact CD1-CE2 3.54Å; Y451-Y465 HydrophobicContact CD1-CE2 3.54Å; Y451-Y465 AromaticContact CE1-CD2 3.69Å; Y451-Y465 HydrophobicContact CE1-CD2 3.69Å; Y451-Y465 AromaticContact CE1-CE2 3.87Å; Y451-Y465 HydrophobicContact CE1-CE2 3.87Å; Y451-Y465 HydrophobicContact CG-CD2 4.45Å; Y451-Y465 HydrophobicContact CG-CE2 4.12Å
452	I	91.6	Very high	90.4	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-59.3	-48.4	178.5	-70.2	162	0	0	0	109.8	C448 Y449 E454 R455 R456 I462 Y465 F504 P524	C448-I452 WeakPolarHBondContact O-CB 3.18Å; C448-I452 VanDerWaalsContact O-CD1 3.27Å; C448-I452 WeakPolarHBondContact O-CD1 2.96Å; C448-I452 WeakPolarHBondContact O-CG1 3.45Å; C448-I452 PolarHBondContact O-N 2.87Å; Y449-I452 PolarHBondContact O-N 3.17Å; I452-E454 PolarHBondContact O-N 3.26Å; I452-R455 PolarHBondContact O-N 3.42Å; I452-R456 VanDerWaalsContact O-CB 3.23Å; I452-R456 WeakPolarHBondContact O-CB 3.41Å; I452-R456 PolarHBondContact O-N 2.71Å; I452-I462 HydrophobicContact CG2-CD1 4.21Å; I452-I462 HydrophobicContact CG2-CG2 4.24Å; I452-Y465 HydrophobicContact CD1-CD2 4.32Å; I452-Y465 HydrophobicContact CD1-CG 4.03Å; I452-Y465 HydrophobicContact CG1-CD2 3.94Å; I452-Y465 HydrophobicContact CG1-CG 4.08Å; I452-F504 HydrophobicContact CD1-CZ 4.19Å; I452-F504 HydrophobicContact CG2-CZ 4.06Å; I452-P524 HydrophobicContact CD1-CG 4.02Å
453	K	90.7	Very high	90.5	Very high	106 Å²	106	64 Å²	64	46%	0.461	33%	0.333	S	S	.	.	H	α-helix	trans	-61.5	-46.8	-177	-174	177.1	-171.6	165.9	0	112.2	Y449 E450 Y451 S457	Y449-K453 HydrophobicContact CE1-CD 4.08Å; Y449-K453 VanDerWaalsContact O-CB 3.29Å; Y449-K453 WeakPolarHBondContact O-CB 3.01Å; Y449-K453 PolarHBondContact O-N 3.02Å; Y449-K453 PolarHBondContact OH-NZ 2.95Å; E450-K453 PolarHBondContact O-N 3.48Å; Y451-K453 VanDerWaalsContact C-N 3.35Å; Y451-K453 PolarHBondContact O-N 3.11Å; K453-S457 WeakPolarHBondContact O-CB 3.19Å; K453-S457 PolarHBondContact O-N 2.69Å
454	E	91.2	Very high	90.4	Very high	46 Å²	46	62.6 Å²	62.6	22%	0.215	33%	0.327	C	S	.	.	H	α-helix	trans	-64.4	-47.6	-179.7	-75.2	-172.6	168.8	0	0	111.8	K446 E450 Y451 I452 S457 R458	K446-E454 IonicContact NZ-OE1 3.01Å; K446-E454 PolarHBondContact NZ-OE1 3.27Å; K446-E454 IonicContact NZ-OE2 3.7Å; K446-E454 PolarHBondContact NZ-OE2 3.01Å; E450-E454 WeakPolarHBondContact O-CB 3.28Å; E450-E454 WeakPolarHBondContact O-CG 3.08Å; E450-E454 PolarHBondContact O-N 3.33Å; Y451-E454 PolarHBondContact O-N 3.13Å; I452-E454 PolarHBondContact O-N 3.26Å; E454-S457 PolarHBondContact O-N 3.29Å; E454-S457 PolarHBondContact O-OG 3.33Å; E454-R458 WeakPolarHBondContact O-CG 3.25Å; E454-R458 PolarHBondContact O-N 2.77Å; E454-R458 IonicContact OE2-NH2 3.3Å
455	R	91.5	Very high	90.7	Very high	50 Å²	50	58.4 Å²	58.4	19%	0.189	30%	0.3	C	S	.	.	H	α-helix	trans	-65.7	-43.3	179.8	-74.1	-155.1	172.2	-177.8	3.1	112.3	L439 Y451 I452 S457 R458 G459 Q460 D461 I462	L439-R455 PolarHBondContact O-NH2 3.46Å; Y451-R455 VanDerWaalsContact CZ-CZ 3.41Å; Y451-R455 PolarHBondContact O-N 3.08Å; Y451-R455 VanDerWaalsContact O-N 3.1Å; Y451-R455 PolarHBondContact OH-NH1 2.83Å; Y451-R455 PolarHBondContact OH-NH2 2.94Å; I452-R455 PolarHBondContact O-N 3.42Å; R455-S457 VanDerWaalsContact C-N 3.29Å; R455-S457 PolarHBondContact O-N 3.26Å; R455-R458 CarbonylContact O-C 3.55Å; R455-R458 WeakPolarHBondContact O-CA 3.37Å; R455-R458 PolarHBondContact O-N 3.17Å; R455-G459 PolarHBondContact O-N 2.9Å; R455-G459 VanDerWaalsContact O-N 3.15Å; R455-Q460 HydrophobicContact CB-CB 3.95Å; R455-Q460 HydrophobicContact CG-CB 4.25Å; R455-Q460 PolarHBondContact O-N 2.98Å; R455-D461 WeakPolarHBondContact CD-O 3.35Å; R455-D461 PolarHBondContact NH1-O 2.98Å; R455-D461 VanDerWaalsContact NH1-O 3.15Å; R455-I462 HydrophobicContact CB-CG2 4.07Å
456	R	86.9	Confident	90.7	Very high	72 Å²	72	51.8 Å²	51.8	27%	0.272	27%	0.265	S	S	.	.	H	α-helix	trans	-58.6	-42.2	174.8	-168.7	-169.6	-84.6	154.5	-14.9	111.3	I452 R458 G459 I462 D467 S503	I452-R456 VanDerWaalsContact O-CB 3.23Å; I452-R456 WeakPolarHBondContact O-CB 3.41Å; I452-R456 PolarHBondContact O-N 2.71Å; R456-R458 PolarHBondContact O-N 3.03Å; R456-R458 VanDerWaalsContact O-N 3.15Å; R456-G459 PolarHBondContact O-N 2.92Å; R456-I462 HydrophobicContact CB-CG2 4.43Å; R456-D467 IonicContact CZ-OD2 3.01Å; R456-D467 IonicContact NE-OD2 2.69Å; R456-D467 VanDerWaalsContact NH2-CG 3.27Å; R456-D467 IonicContact NH2-OD2 2.64Å; R456-D467 PolarHBondContact NH2-OD2 2.83Å; R456-S503 PolarHBondContact NH1-O 2.92Å; R456-S503 PolarHBondContact NH1-OG 3.34Å; R456-S503 PolarHBondContact NH2-O 3.46Å
457	S	89.4	Confident	90.5	Very high	95 Å²	95	50.1 Å²	50.1	66%	0.664	26%	0.258	S	S	*	.	H	α-helix	trans	-61.1	-24.3	177.6	79.2	0	0	0	0	113.7	K453 E454 R455	K453-S457 WeakPolarHBondContact O-CB 3.19Å; K453-S457 PolarHBondContact O-N 2.69Å; E454-S457 PolarHBondContact O-N 3.29Å; E454-S457 PolarHBondContact O-OG 3.33Å; R455-S457 VanDerWaalsContact C-N 3.29Å; R455-S457 PolarHBondContact O-N 3.26Å
458	R	92.3	Very high	90.2	Very high	147 Å²	147	50.7 Å²	50.7	56%	0.555	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	1.8	177.7	-62.5	174.2	-168.9	158.8	7.8	113	E454 R455 R456 Q460	E454-R458 WeakPolarHBondContact O-CG 3.25Å; E454-R458 PolarHBondContact O-N 2.77Å; E454-R458 IonicContact OE2-NH2 3.3Å; R455-R458 CarbonylContact O-C 3.55Å; R455-R458 WeakPolarHBondContact O-CA 3.37Å; R455-R458 PolarHBondContact O-N 3.17Å; R456-R458 PolarHBondContact O-N 3.03Å; R456-R458 VanDerWaalsContact O-N 3.15Å; R458-Q460 HydrophobicContact CB-CG 3.87Å; R458-Q460 PolarHBondContact O-N 3.1Å
459	G	88.6	Confident	89.9	Confident	74 Å²	74	51.9 Å²	51.9	76%	0.763	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	26	-172.8	0	0	0	0	0	113.4	R455 R456	R455-G459 PolarHBondContact O-N 2.9Å; R455-G459 VanDerWaalsContact O-N 3.15Å; R456-G459 PolarHBondContact O-N 2.92Å
460	Q	89.1	Confident	89.4	Confident	93 Å²	93	55.2 Å²	55.2	44%	0.435	28%	0.281	S	S	.	.			trans	-92	154	178.6	-66.1	-179.7	-47.1	0	0	111	R455 R458	R455-Q460 HydrophobicContact CB-CB 3.95Å; R455-Q460 HydrophobicContact CG-CB 4.25Å; R455-Q460 PolarHBondContact O-N 2.98Å; R458-Q460 HydrophobicContact CB-CG 3.87Å; R458-Q460 PolarHBondContact O-N 3.1Å
461	D	87.1	Confident	89.2	Confident	108 Å²	108	52.8 Å²	52.8	58%	0.578	27%	0.27	S	S	*	.			trans	-63.8	133.4	174.6	-176.2	23.4	0	0	0	111.6	R455 H463	R455-D461 WeakPolarHBondContact CD-O 3.35Å; R455-D461 PolarHBondContact NH1-O 2.98Å; R455-D461 VanDerWaalsContact NH1-O 3.15Å; D461-H463 PolarHBondContact OD1-N 3.06Å; D461-H463 VanDerWaalsContact OD1-N 3.14Å; D461-H463 WeakPolarHBondContact OD2-CB 3.38Å
462	I	91.1	Very high	88.9	Confident	15 Å²	15	56.6 Å²	56.6	8%	0.077	29%	0.287	C	S	.	.			trans	-93.7	-1.3	-177.9	62.8	165.6	0	0	0	112.5	I452 R455 R456 Y465 D467	I452-I462 HydrophobicContact CG2-CD1 4.21Å; I452-I462 HydrophobicContact CG2-CG2 4.24Å; R455-I462 HydrophobicContact CB-CG2 4.07Å; R456-I462 HydrophobicContact CB-CG2 4.43Å; I462-Y465 WeakPolarHBondContact O-CB 3.36Å; I462-Y465 PolarHBondContact O-N 2.03Å; I462-D467 HydrophobicContact CD1-CB 4.17Å
463	H	89.1	Confident	88.8	Confident	15 Å²	15	60 Å²	60	7%	0.069	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	135.8	173.6	-170.8	-86.8	0	0	0	110.9	Y451 D461 D475 S476 Y477	Y451-H463 PolarHBondContact OH-O 3.14Å; D461-H463 PolarHBondContact OD1-N 3.06Å; D461-H463 VanDerWaalsContact OD1-N 3.14Å; D461-H463 WeakPolarHBondContact OD2-CB 3.38Å; H463-D475 IonicContact CD2-OD1 3.71Å; H463-D475 IonicContact CE1-OD1 3.39Å; H463-D475 IonicContact NE2-OD1 2.72Å; H463-D475 PolarHBondContact NE2-OD1 3.42Å; H463-S476 PolarHBondContact CE1-OG 3.1Å; H463-S476 PolarHBondContact ND1-OG 3.27Å; H463-S476 PolarHBondContact NE2-OG 2.04Å; H463-Y477 AromaticContact CE1-CD1 3.83Å; H463-Y477 AromaticContact CE1-CD2 3.4Å; H463-Y477 VanDerWaalsContact CE1-CD2 3.4Å; H463-Y477 WeakPolarHBondContact CE1-CD2 3.32Å; H463-Y477 AromaticContact CE1-CE1 3.71Å; H463-Y477 AromaticContact CE1-CE2 3.31Å; H463-Y477 WeakPolarHBondContact CE1-CE2 3.34Å; H463-Y477 AromaticContact CE1-CG 3.67Å; H463-Y477 AromaticContact CE1-CZ 3.45Å; H463-Y477 VanDerWaalsContact CE1-CZ 3.45Å; H463-Y477 AromaticContact ND1-CE1 3.98Å; H463-Y477 AromaticContact ND1-CE2 3.92Å; H463-Y477 AromaticContact ND1-CZ 3.68Å
464	P	90.3	Very high	88.7	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	cis	-87.5	6	12.3	36.1	-38.1	0	0	0	116	W435 L439 F443 Y477 L526	W435-P464 HydrophobicContact CE3-CB 4.03Å; W435-P464 HydrophobicContact CE3-CG 4.24Å; W435-P464 HydrophobicContact CH2-CB 3.54Å; W435-P464 HydrophobicContact CH2-CG 3.41Å; W435-P464 VanDerWaalsContact CH2-CG 3.41Å; W435-P464 HydrophobicContact CZ2-CB 4.4Å; W435-P464 HydrophobicContact CZ2-CG 3.81Å; W435-P464 HydrophobicContact CZ3-CB 3.35Å; W435-P464 HydrophobicContact CZ3-CG 3.69Å; L439-P464 VanDerWaalsContact CD1-CD 3.46Å; L439-P464 HydrophobicContact CD1-CG 4.31Å; F443-P464 HydrophobicContact CE2-CG 4.03Å; P464-Y477 HydrophobicContact CB-CE2 3.69Å; P464-Y477 HydrophobicContact CG-CE2 4.29Å; P464-L526 PolarHBondContact O-N 2.89Å
465	Y	92.1	Very high	88.4	Confident	24 Å²	24	55.1 Å²	55.1	9%	0.094	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-84.3	165.5	179.4	-54.6	-62.8	0	0	0	112.4	F443 C448 Y451 I452 I462 C523 P524 V525	F443-Y465 HydrophobicContact CD2-CE2 4.05Å; F443-Y465 AromaticContact CE2-CE2 3.99Å; F443-Y465 HydrophobicContact CE2-CE2 3.99Å; F443-Y465 AromaticContact CE2-CZ 3.82Å; F443-Y465 WeakPolarHBondContact CE2-OH 3.16Å; C448-Y465 HydrophobicContact CB-CD1 4.01Å; C448-Y465 HydrophobicContact CB-CD2 4.21Å; C448-Y465 HydrophobicContact CB-CE1 3.52Å; C448-Y465 HydrophobicContact CB-CE2 3.72Å; C448-Y465 HydrophobicContact CB-CG 4.33Å; Y451-Y465 AromaticContact CD1-CD2 3.48Å; Y451-Y465 HydrophobicContact CD1-CD2 3.48Å; Y451-Y465 VanDerWaalsContact CD1-CD2 3.48Å; Y451-Y465 AromaticContact CD1-CE2 3.54Å; Y451-Y465 HydrophobicContact CD1-CE2 3.54Å; Y451-Y465 AromaticContact CE1-CD2 3.69Å; Y451-Y465 HydrophobicContact CE1-CD2 3.69Å; Y451-Y465 AromaticContact CE1-CE2 3.87Å; Y451-Y465 HydrophobicContact CE1-CE2 3.87Å; Y451-Y465 HydrophobicContact CG-CD2 4.45Å; Y451-Y465 HydrophobicContact CG-CE2 4.12Å; I452-Y465 HydrophobicContact CD1-CD2 4.32Å; I452-Y465 HydrophobicContact CD1-CG 4.03Å; I452-Y465 HydrophobicContact CG1-CD2 3.94Å; I452-Y465 HydrophobicContact CG1-CG 4.08Å; I462-Y465 WeakPolarHBondContact O-CB 3.36Å; I462-Y465 PolarHBondContact O-N 2.03Å; Y465-C523 HydrophobicContact CD1-CB 4.03Å; Y465-C523 HydrophobicContact CE1-CB 3.61Å; Y465-P524 CarbonylContact C-O 3.57Å; Y465-P524 WeakPolarHBondContact CA-O 3.47Å; Y465-P524 WeakPolarHBondContact CB-O 3.21Å; Y465-P524 WeakPolarHBondContact CD1-O 3.03Å; Y465-V525 HydrophobicContact CD1-CG2 3.97Å; Y465-V525 HydrophobicContact CE1-CG2 4.07Å
466	C	90	Very high	87.8	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.007	30%	0.303	C	S	.	.			trans	-140.3	165.6	178.3	55.6	0	0	0	0	110.4	E471 C484 P524 V525	C466-E471 WeakPolarHBondContact CB-OE1 3.29Å; C466-C484 HydrophobicContact CB-CB 3.63Å; C466-C484 WeakPolarHBondContact CB-SG 3.32Å; C466-C484 WeakPolarHBondContact SG-CA 3.31Å; C466-C484 WeakPolarHBondContact SG-CB 2.99Å; C466-C484 CovalentContact SG-SG 2.02Å; C466-C484 PolarHBondContact SG-SG 2.89Å; C466-P524 PolarHBondContact N-O 3.22Å; C466-P524 VanDerWaalsContact O-CB 3.23Å; C466-P524 WeakPolarHBondContact O-CB 3.45Å; C466-P524 WeakPolarHBondContact O-CG 3.2Å; C466-P524 VanDerWaalsContact SG-C 3.56Å; C466-P524 PolarHBondContact SG-O 2.77Å; C466-V525 VanDerWaalsContact SG-C 3.51Å
467	D	88	Confident	87.2	Confident	20 Å²	20	54.7 Å²	54.7	11%	0.107	30%	0.296	C	S	.	.			trans	-137.3	0.7	-167.9	56.4	5.8	0	0	0	114.4	R456 I462 F504	R456-D467 IonicContact CZ-OD2 3.01Å; R456-D467 IonicContact NE-OD2 2.69Å; R456-D467 VanDerWaalsContact NH2-CG 3.27Å; R456-D467 IonicContact NH2-OD2 2.64Å; R456-D467 PolarHBondContact NH2-OD2 2.83Å; I462-D467 HydrophobicContact CD1-CB 4.17Å; D467-F504 HydrophobicContact CB-CD1 3.5Å; D467-F504 VanDerWaalsContact CB-CD1 3.5Å; D467-F504 HydrophobicContact CB-CE1 3.6Å; D467-F504 HydrophobicContact CB-CG 4.38Å; D467-F504 WeakPolarHBondContact O-CD1 3.47Å
468	I	85.6	Confident	86.5	Confident	60 Å²	60	51.3 Å²	51.3	31%	0.308	27%	0.269	S	S	.	.	S	Bend	trans	-119.4	123.9	175.9	-64.6	162.1	0	0	0	108.5	F470 E471 C484 A505	I468-F470 PolarHBondContact O-N 3.28Å; I468-E471 HydrophobicContact CB-CB 3.8Å; I468-E471 HydrophobicContact CB-CG 3.91Å; I468-E471 WeakPolarHBondContact CD1-OE2 3.21Å; I468-E471 HydrophobicContact CG2-CB 3.84Å; I468-E471 HydrophobicContact CG2-CG 4.48Å; I468-E471 WeakPolarHBondContact O-CG 3.48Å; I468-E471 PolarHBondContact O-N 3.38Å; I468-C484 VanDerWaalsContact O-CB 3.29Å; I468-C484 WeakPolarHBondContact O-CB 3.44Å; I468-C484 PolarHBondContact O-SG 3.3Å; I468-A505 HydrophobicContact CD1-CB 4.12Å; I468-A505 HydrophobicContact CG1-CB 3.8Å
469	P	86.3	Confident	85.9	Confident	29 Å²	29	46.2 Å²	46.2	19%	0.188	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	124.9	177.3	-27.4	34.8	0	0	0	112.2	E471 L486 F506 Y514	P469-E471 PolarHBondContact O-N 3.16Å; P469-E471 VanDerWaalsContact O-N 3.08Å; P469-L486 WeakPolarHBondContact CA-O 3.44Å; P469-L486 HydrophobicContact CB-CG 4.47Å; P469-L486 HydrophobicContact CG-CD2 4.04Å; P469-L486 HydrophobicContact CG-CG 4.15Å; P469-F506 HydrophobicContact CG-CB 4.17Å; P469-F506 HydrophobicContact CG-CD1 3.92Å; P469-F506 HydrophobicContact CG-CD2 4.13Å; P469-F506 HydrophobicContact CG-CE1 4.32Å; P469-F506 HydrophobicContact CG-CG 3.82Å; P469-Y514 HydrophobicContact CB-CE1 4.21Å; P469-Y514 HydrophobicContact CG-CD1 4.21Å; P469-Y514 HydrophobicContact CG-CE1 3.83Å
470	F	81.7	Confident	85.7	Confident	127 Å²	127	42.7 Å²	42.7	56%	0.557	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	18.3	177.5	-48.8	-76.8	0	0	0	115.8	I468 C484 F487	I468-F470 PolarHBondContact O-N 3.28Å; F470-C484 PolarHBondContact N-O 3.49Å; F470-F487 HydrophobicContact CE1-CB 4.12Å; F470-F487 HydrophobicContact CE2-CB 4.38Å; F470-F487 HydrophobicContact CZ-CB 3.59Å
471	E	88.1	Confident	85.5	Confident	25 Å²	25	38.7 Å²	38.7	12%	0.117	20%	0.199	C	C	.	.			trans	-61	149.3	172.8	68.9	175.9	172.3	0	0	110.8	C466 I468 P469 K473 T483 C484	C466-E471 WeakPolarHBondContact CB-OE1 3.29Å; I468-E471 HydrophobicContact CB-CB 3.8Å; I468-E471 HydrophobicContact CB-CG 3.91Å; I468-E471 WeakPolarHBondContact CD1-OE2 3.21Å; I468-E471 HydrophobicContact CG2-CB 3.84Å; I468-E471 HydrophobicContact CG2-CG 4.48Å; I468-E471 WeakPolarHBondContact O-CG 3.48Å; I468-E471 PolarHBondContact O-N 3.38Å; P469-E471 PolarHBondContact O-N 3.16Å; P469-E471 VanDerWaalsContact O-N 3.08Å; E471-K473 VanDerWaalsContact CD-CE 3.42Å; E471-K473 WeakPolarHBondContact OE1-CE 3.35Å; E471-K473 IonicContact OE1-NZ 3.72Å; E471-K473 PolarHBondContact OE1-NZ 2.89Å; E471-K473 WeakPolarHBondContact OE2-CE 3.17Å; E471-K473 IonicContact OE2-NZ 3.61Å; E471-K473 PolarHBondContact OE2-NZ 2.91Å; E471-T483 CarbonylContact O-C 3.59Å; E471-T483 WeakPolarHBondContact O-CA 3.34Å; E471-C484 HydrophobicContact CG-CB 3.63Å; E471-C484 PolarHBondContact O-N 3.21Å
472	Q	87.1	Confident	85.4	Confident	82 Å²	82	33.6 Å²	33.6	38%	0.383	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	132.4	174.1	-65	-170.9	-38.4	0	0	109.6	I481 G482 P585	Q472-I481 HydrophobicContact CB-CG2 3.93Å; Q472-I481 HydrophobicContact CG-CG2 4.3Å; Q472-G482 VanDerWaalsContact CA-O 3.26Å; Q472-G482 WeakPolarHBondContact CA-O 3.48Å; Q472-P585 HydrophobicContact CB-CG 3.6Å; Q472-P585 VanDerWaalsContact O-CD 3.27Å; Q472-P585 WeakPolarHBondContact O-CD 3.34Å
473	K	89.2	Confident	85.1	Confident	71 Å²	71	35 Å²	35	31%	0.309	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	159.2	174.9	-72.3	175.4	176	155.4	0	109.6	E471 D475 G482 L526 M566	E471-K473 VanDerWaalsContact CD-CE 3.42Å; E471-K473 WeakPolarHBondContact OE1-CE 3.35Å; E471-K473 IonicContact OE1-NZ 3.72Å; E471-K473 PolarHBondContact OE1-NZ 2.89Å; E471-K473 WeakPolarHBondContact OE2-CE 3.17Å; E471-K473 IonicContact OE2-NZ 3.61Å; E471-K473 PolarHBondContact OE2-NZ 2.91Å; K473-D475 PolarHBondContact O-N 2.98Å; K473-G482 PolarHBondContact N-O 3.23Å; K473-G482 PolarHBondContact O-N 3.12Å; K473-L526 HydrophobicContact CB-CD1 4.17Å; K473-L526 HydrophobicContact CB-CD2 3.96Å; K473-M566 HydrophobicContact CB-SD 4.31Å; K473-M566 HydrophobicContact CG-CE 4.39Å; K473-M566 HydrophobicContact CG-SD 4.5Å
474	C	88.4	Confident	85.1	Confident	33 Å²	33	34.3 Å²	34.3	22%	0.223	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	126.5	163.7	-64.8	0	0	0	0	108.9	C564 F565 M566	C474-C564 WeakPolarHBondContact CA-SG 3.41Å; C474-C564 HydrophobicContact CB-CB 3.7Å; C474-C564 WeakPolarHBondContact CB-SG 3.38Å; C474-C564 WeakPolarHBondContact SG-CB 3.26Å; C474-C564 CovalentContact SG-SG 2.04Å; C474-C564 PolarHBondContact SG-SG 3.06Å; C474-F565 PolarHBondContact SG-N 2.02Å; C474-M566 HydrophobicContact CB-CG 4.42Å; C474-M566 HydrophobicContact CB-SD 4.4Å; C474-M566 PolarHBondContact N-SD 2.88Å; C474-M566 VanDerWaalsContact N-SD 3.44Å
475	D	85.2	Confident	84.9	Confident	17 Å²	17	34.7 Å²	34.7	9%	0.091	18%	0.181	C	C	.	.			trans	-76.9	144.8	176.1	-174.3	62.1	0	0	0	110.4	H463 K473 Y477 E478 G480 L526 V528	H463-D475 IonicContact CD2-OD1 3.71Å; H463-D475 IonicContact CE1-OD1 3.39Å; H463-D475 IonicContact NE2-OD1 2.72Å; H463-D475 PolarHBondContact NE2-OD1 3.42Å; K473-D475 PolarHBondContact O-N 2.98Å; D475-Y477 WeakPolarHBondContact OD2-CA 3.48Å; D475-Y477 WeakPolarHBondContact OD2-CB 3.44Å; D475-Y477 PolarHBondContact OD2-N 3.15Å; D475-E478 CarbonylContact C-O 3.54Å; D475-E478 PolarHBondContact OD2-N 3.41Å; D475-G480 PolarHBondContact N-O 3.23Å; D475-L526 HydrophobicContact CB-CD2 4.26Å; D475-V528 HydrophobicContact CB-CG2 3.39Å
476	S	77.9	Confident	84.7	Confident	80 Å²	80	33.6 Å²	33.6	56%	0.559	18%	0.176	S	C	*	.	S	Bend	trans	-90.8	-16.5	-178.6	82.9	0	0	0	0	113.2	H463	H463-S476 PolarHBondContact CE1-OG 3.1Å; H463-S476 PolarHBondContact ND1-OG 3.27Å; H463-S476 PolarHBondContact NE2-OG 2.04Å
477	Y	75.6	Confident	84.5	Confident	32 Å²	32	35.5 Å²	35.5	13%	0.125	19%	0.185	C	C	.	.	S	Bend	trans	-87.7	-38.5	174.9	-61	-34.3	0	0	0	111.5	K434 W435 G436 H463 P464 D475	K434-Y477 HydrophobicContact CB-CD1 3.85Å; K434-Y477 HydrophobicContact CB-CE1 4.49Å; K434-Y477 HydrophobicContact CB-CG 4.11Å; K434-Y477 WeakPolarHBondContact CD-O 3.43Å; K434-Y477 PolarHBondContact NZ-O 3.36Å; K434-Y477 WeakPolarHBondContact O-CE1 2.75Å; W435-Y477 HydrophobicContact CB-CE2 4.41Å; W435-Y477 HydrophobicContact CD2-CE2 4.25Å; W435-Y477 AromaticContact CE3-CD2 4Å; W435-Y477 HydrophobicContact CE3-CD2 4Å; W435-Y477 AromaticContact CE3-CE2 3.64Å; W435-Y477 HydrophobicContact CE3-CE2 3.64Å; W435-Y477 HydrophobicContact CZ3-CE2 4.23Å; G436-Y477 PolarHBondContact N-OH 2.81Å; H463-Y477 AromaticContact CE1-CD1 3.83Å; H463-Y477 AromaticContact CE1-CD2 3.4Å; H463-Y477 VanDerWaalsContact CE1-CD2 3.4Å; H463-Y477 WeakPolarHBondContact CE1-CD2 3.32Å; H463-Y477 AromaticContact CE1-CE1 3.71Å; H463-Y477 AromaticContact CE1-CE2 3.31Å; H463-Y477 WeakPolarHBondContact CE1-CE2 3.34Å; H463-Y477 AromaticContact CE1-CG 3.67Å; H463-Y477 AromaticContact CE1-CZ 3.45Å; H463-Y477 VanDerWaalsContact CE1-CZ 3.45Å; H463-Y477 AromaticContact ND1-CE1 3.98Å; H463-Y477 AromaticContact ND1-CE2 3.92Å; H463-Y477 AromaticContact ND1-CZ 3.68Å; P464-Y477 HydrophobicContact CB-CE2 3.69Å; P464-Y477 HydrophobicContact CG-CE2 4.29Å; D475-Y477 WeakPolarHBondContact OD2-CA 3.48Å; D475-Y477 WeakPolarHBondContact OD2-CB 3.44Å; D475-Y477 PolarHBondContact OD2-N 3.15Å
478	E	72.9	Confident	84.5	Confident	24 Å²	24	38.2 Å²	38.2	11%	0.112	20%	0.196	C	C	.	.	S	Bend	trans	-116.5	142.6	-176.7	-61.7	-169.9	-160.8	0	0	111.9	H395 D475 G480 V528 L538	H395-E478 IonicContact CE1-OE1 2.96Å; H395-E478 PolarHBondContact CE1-OE1 2.74Å; H395-E478 IonicContact CE1-OE2 3.89Å; H395-E478 IonicContact ND1-OE1 2.87Å; H395-E478 PolarHBondContact ND1-OE1 2.71Å; H395-E478 VanDerWaalsContact ND1-OE1 3.09Å; D475-E478 CarbonylContact C-O 3.54Å; D475-E478 PolarHBondContact OD2-N 3.41Å; E478-G480 PolarHBondContact O-N 3.02Å; E478-V528 HydrophobicContact CB-CB 4.31Å; E478-V528 HydrophobicContact CB-CG1 4.31Å; E478-V528 HydrophobicContact CB-CG2 4.09Å; E478-V528 WeakPolarHBondContact OE2-CB 3.02Å; E478-V528 WeakPolarHBondContact OE2-CG1 3.22Å; E478-L538 HydrophobicContact CB-CD2 4.36Å; E478-L538 WeakPolarHBondContact OE2-CD2 3.36Å
479	N	81.3	Confident	84.5	Confident	40 Å²	40	37.4 Å²	37.4	21%	0.214	19%	0.19	C	C	.	.	S	Bend	trans	-75.1	73.3	171	-175.5	16.7	0	0	0	110.6	C539 E540 S562 A563 C564	N479-C539 PolarHBondContact O-N 3.07Å; N479-E540 WeakPolarHBondContact CB-OE1 3.21Å; N479-E540 WeakPolarHBondContact ND2-CG 3Å; N479-E540 PolarHBondContact ND2-OE1 3.06Å; N479-S562 PolarHBondContact ND2-O 3.07Å; N479-A563 WeakPolarHBondContact OD1-CA 3.28Å; N479-C564 PolarHBondContact OD1-N 2.85Å
480	G	83.3	Confident	84.4	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-163.4	172	-172.9	0	0	0	0	0	113.8	D475 E478 S537	D475-G480 PolarHBondContact N-O 3.23Å; E478-G480 PolarHBondContact O-N 3.02Å; G480-S537 CarbonylContact C-O 3.6Å; G480-S537 VanDerWaalsContact CA-O 3.28Å; G480-S537 WeakPolarHBondContact CA-O 3.4Å
481	I	85.1	Confident	84.7	Confident	10 Å²	10	44.2 Å²	44.2	5%	0.051	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	106.1	176	-57.6	-175.1	0	0	0	108.1	Q472 S537 P585	Q472-I481 HydrophobicContact CB-CG2 3.93Å; Q472-I481 HydrophobicContact CG-CG2 4.3Å; I481-S537 PolarHBondContact N-O 2.79Å; I481-S537 WeakPolarHBondContact O-CB 3.45Å; I481-P585 HydrophobicContact CD1-CB 4.32Å; I481-P585 HydrophobicContact CD1-CG 4.37Å; I481-P585 HydrophobicContact CG1-CB 4.19Å; I481-P585 HydrophobicContact CG1-CG 4.38Å; I481-P585 HydrophobicContact CG2-CB 4.23Å; I481-P585 HydrophobicContact CG2-CG 3.55Å
482	G	85.4	Confident	84.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	140.5	172.6	0	0	0	0	0	111.2	Q472 K473 L526 L527	Q472-G482 VanDerWaalsContact CA-O 3.26Å; Q472-G482 WeakPolarHBondContact CA-O 3.48Å; K473-G482 PolarHBondContact N-O 3.23Å; K473-G482 PolarHBondContact O-N 3.12Å; G482-L526 WeakPolarHBondContact O-CD1 3.02Å; G482-L527 CarbonylContact C-O 3.59Å; G482-L527 WeakPolarHBondContact CA-O 3.03Å
483	T	84.2	Confident	84.8	Confident	44 Å²	44	45.4 Å²	45.4	27%	0.27	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.7	172.7	-57.3	0	0	0	0	109.2	E471 A485 L527	E471-T483 CarbonylContact O-C 3.59Å; E471-T483 WeakPolarHBondContact O-CA 3.34Å; T483-A485 PolarHBondContact O-N 2.77Å; T483-A485 VanDerWaalsContact O-N 3.15Å; T483-L527 PolarHBondContact N-O 2.78Å; T483-L527 PolarHBondContact O-N 3.49Å
484	C	88.8	Confident	84.8	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.007	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	114.6	-179.7	-175.7	0	0	0	0	111	C466 I468 F470 E471 L486	C466-C484 HydrophobicContact CB-CB 3.63Å; C466-C484 WeakPolarHBondContact CB-SG 3.32Å; C466-C484 WeakPolarHBondContact SG-CA 3.31Å; C466-C484 WeakPolarHBondContact SG-CB 2.99Å; C466-C484 CovalentContact SG-SG 2.02Å; C466-C484 PolarHBondContact SG-SG 2.89Å; I468-C484 VanDerWaalsContact O-CB 3.29Å; I468-C484 WeakPolarHBondContact O-CB 3.44Å; I468-C484 PolarHBondContact O-SG 3.3Å; F470-C484 PolarHBondContact N-O 3.49Å; E471-C484 HydrophobicContact CG-CB 3.63Å; E471-C484 PolarHBondContact O-N 3.21Å; C484-L486 PolarHBondContact O-N 3.43Å; C484-L486 VanDerWaalsContact SG-CB 3.58Å
485	A	86.2	Confident	84.7	Confident	9 Å²	9	54.3 Å²	54.3	7%	0.074	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	68.1	174.6	0	0	0	0	0	110.2	T483 G516 Y517 V525 L527	T483-A485 PolarHBondContact O-N 2.77Å; T483-A485 VanDerWaalsContact O-N 3.15Å; A485-G516 WeakPolarHBondContact O-CA 3.35Å; A485-Y517 HydrophobicContact CB-CD2 4.04Å; A485-Y517 HydrophobicContact CB-CE2 3.81Å; A485-V525 WeakPolarHBondContact CB-O 3.48Å; A485-V525 PolarHBondContact N-O 2.93Å; A485-L527 HydrophobicContact CB-CD1 3.6Å; A485-L527 HydrophobicContact CB-CG 4.06Å
486	L	88.3	Confident	84.8	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.298	C	S	.	.			trans	-129.6	109.4	175.9	175.9	55.3	0	0	0	108.3	P469 C484 M500 F506 Y514 P524	P469-L486 WeakPolarHBondContact CA-O 3.44Å; P469-L486 HydrophobicContact CB-CG 4.47Å; P469-L486 HydrophobicContact CG-CD2 4.04Å; P469-L486 HydrophobicContact CG-CG 4.15Å; C484-L486 PolarHBondContact O-N 3.43Å; C484-L486 VanDerWaalsContact SG-CB 3.58Å; L486-M500 HydrophobicContact CD1-CE 3.63Å; L486-M500 HydrophobicContact CD1-CG 4.25Å; L486-M500 HydrophobicContact CD1-SD 3.93Å; L486-M500 HydrophobicContact CD2-CE 4.38Å; L486-M500 HydrophobicContact CD2-SD 3.91Å; L486-F506 HydrophobicContact CD2-CE1 4.28Å; L486-Y514 HydrophobicContact CD1-CD1 4.08Å; L486-Y514 HydrophobicContact CG-CD1 4.17Å; L486-P524 HydrophobicContact CB-CB 3.99Å; L486-P524 HydrophobicContact CD1-CB 4.21Å; L486-P524 HydrophobicContact CD2-CB 4.25Å; L486-P524 HydrophobicContact CG-CB 4.37Å
487	F	86.6	Confident	85.3	Confident	41 Å²	41	55.2 Å²	55.2	18%	0.18	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	161.9	-174	50.5	-92.7	0	0	0	111.2	F470 H489 Y514 G515 Y517	F470-F487 HydrophobicContact CE1-CB 4.12Å; F470-F487 HydrophobicContact CE2-CB 4.38Å; F470-F487 HydrophobicContact CZ-CB 3.59Å; F487-H489 AromaticContact CD2-NE2 3.83Å; F487-H489 AromaticContact CE2-CE1 3.44Å; F487-H489 VanDerWaalsContact CE2-CE1 3.44Å; F487-H489 WeakPolarHBondContact CE2-CE1 3.34Å; F487-H489 AromaticContact CE2-NE2 3.4Å; F487-H489 WeakPolarHBondContact CE2-NE2 2.99Å; F487-Y514 WeakPolarHBondContact O-CA 3.37Å; F487-G515 PolarHBondContact N-O 3.46Å; F487-G515 PolarHBondContact O-N 2.87Å; F487-G515 VanDerWaalsContact O-N 3.15Å; F487-Y517 HydrophobicContact CE1-CD1 4.1Å; F487-Y517 HydrophobicContact CE1-CD2 4.36Å; F487-Y517 AromaticContact CE1-CE1 3.93Å; F487-Y517 HydrophobicContact CE1-CE1 3.93Å; F487-Y517 HydrophobicContact CE1-CE2 4.21Å; F487-Y517 HydrophobicContact CE1-CG 4.3Å; F487-Y517 AromaticContact CE1-CZ 3.99Å; F487-Y517 AromaticContact CZ-CD1 3.78Å; F487-Y517 HydrophobicContact CZ-CD1 3.78Å; F487-Y517 AromaticContact CZ-CE1 3.85Å; F487-Y517 HydrophobicContact CZ-CE1 3.85Å; F487-Y517 HydrophobicContact CZ-CG 4.25Å
488	K	87.9	Confident	86	Confident	78 Å²	78	56.5 Å²	56.5	34%	0.339	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	121.2	-179.4	-166.6	173	-171.6	162.6	0	109.8	D508 E510 K513 Y514	K488-D508 IonicContact NZ-OD1 3.79Å; K488-D508 PolarHBondContact NZ-OD1 3.01Å; K488-D508 IonicContact NZ-OD2 2.99Å; K488-D508 PolarHBondContact NZ-OD2 2.56Å; K488-E510 WeakPolarHBondContact CE-OE2 3Å; K488-E510 IonicContact NZ-OE2 2.8Å; K488-E510 PolarHBondContact NZ-OE2 2.82Å; K488-K513 HydrophobicContact CG-CB 3.94Å; K488-Y514 HydrophobicContact CB-CD1 4.48Å; K488-Y514 HydrophobicContact CB-CD2 4.3Å; K488-Y514 HydrophobicContact CB-CE1 4.05Å; K488-Y514 HydrophobicContact CB-CE2 3.84Å; K488-Y514 HydrophobicContact CD-CE2 3.79Å; K488-Y514 HydrophobicContact CG-CD2 4.2Å; K488-Y514 HydrophobicContact CG-CE2 3.77Å
489	H	85.2	Confident	86.7	Confident	42 Å²	42	56.5 Å²	56.5	19%	0.194	29%	0.286	C	S	.	.			trans	-78.9	153.7	173.4	-66.8	-101.7	0	0	0	110.3	F487 N491 L493 K513 G515 G516 H522	F487-H489 AromaticContact CD2-NE2 3.83Å; F487-H489 AromaticContact CE2-CE1 3.44Å; F487-H489 VanDerWaalsContact CE2-CE1 3.44Å; F487-H489 WeakPolarHBondContact CE2-CE1 3.34Å; F487-H489 AromaticContact CE2-NE2 3.4Å; F487-H489 WeakPolarHBondContact CE2-NE2 2.99Å; H489-N491 VanDerWaalsContact C-N 3.28Å; H489-N491 WeakPolarHBondContact CB-O 3.43Å; H489-N491 PolarHBondContact O-N 3.44Å; H489-L493 HydrophobicContact CB-CD2 4.23Å; H489-K513 WeakPolarHBondContact CB-O 3.45Å; H489-K513 PolarHBondContact CD2-O 2.94Å; H489-K513 VanDerWaalsContact CD2-O 3.27Å; H489-K513 PolarHBondContact N-O 3.18Å; H489-G515 PolarHBondContact NE2-O 3.34Å; H489-G516 PolarHBondContact NE2-O 2.73Å; H489-H522 AromaticContact CE1-ND1 3.94Å
490	E	84.7	Confident	86.9	Confident	178 Å²	178	55.4 Å²	55.4	83%	0.832	28%	0.28	S	S	*	.	S	Bend	trans	-61.5	-40.9	177.7	-66.2	-173.8	162.7	0	0	111.6
491	N	88.1	Confident	86.8	Confident	122 Å²	122	57.3 Å²	57.3	65%	0.652	29%	0.29	S	S	*	.	S	Bend	trans	-107	155.9	179.4	-62.5	-52.9	0	0	0	110.7	H489 L493	H489-N491 VanDerWaalsContact C-N 3.28Å; H489-N491 WeakPolarHBondContact CB-O 3.43Å; H489-N491 PolarHBondContact O-N 3.44Å; N491-L493 PolarHBondContact O-N 3.32Å
492	Q	89.8	Confident	86.5	Confident	115 Å²	115	63.9 Å²	63.9	54%	0.537	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-58.6	135.9	170.5	179.5	173.2	-2.4	0	0	110.6	Q498 E512 K513	Q492-Q498 VanDerWaalsContact NE2-NE2 3.12Å; Q492-E512 HydrophobicContact CB-CG 4.4Å; Q492-E512 HydrophobicContact CG-CB 3.98Å; Q492-E512 HydrophobicContact CG-CG 3.65Å; Q492-K513 HydrophobicContact CB-CG 4.5Å
493	L	87.3	Confident	85.9	Confident	17 Å²	17	66.5 Å²	66.5	9%	0.089	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-72.8	155.7	175.2	-64.3	176.7	0	0	0	110.3	H489 N491 N497 Q498 E512 Y514	H489-L493 HydrophobicContact CB-CD2 4.23Å; N491-L493 PolarHBondContact O-N 3.32Å; L493-N497 HydrophobicContact CB-CB 4.41Å; L493-Q498 HydrophobicContact CB-CG 4.16Å; L493-Q498 PolarHBondContact O-NE2 2.64Å; L493-E512 WeakPolarHBondContact CB-O 3.35Å; L493-E512 PolarHBondContact N-O 3.42Å; L493-Y514 WeakPolarHBondContact CD1-O 3.35Å
494	N	88.1	Confident	85.3	Confident	116 Å²	116	64.8 Å²	64.8	62%	0.62	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-57.9	147.1	171.5	-69.2	-21	0	0	0	110.5	S496 N497 Q498	N494-S496 PolarHBondContact O-N 2.83Å; N494-N497 WeakPolarHBondContact O-CA 3.49Å; N494-N497 PolarHBondContact O-N 3.29Å; N494-Q498 PolarHBondContact O-N 3.2Å
495	E	87	Confident	84.4	Confident	174 Å²	174	68 Å²	68	81%	0.813	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-52.7	-34.9	-178.2	-67.4	-177.9	171.2	0	0	112.9	N497 Q498	E495-N497 PolarHBondContact O-N 3.5Å; E495-Q498 PolarHBondContact O-N 3.33Å
496	S	87.5	Confident	83.8	Confident	85 Å²	85	68.8 Å²	68.8	59%	0.594	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-66.5	-17.3	176.9	61.2	0	0	0	0	114.9	N494 Y499	N494-S496 PolarHBondContact O-N 2.83Å; S496-Y499 WeakPolarHBondContact O-CE1 3Å; S496-Y499 PolarHBondContact O-OH 2.64Å
497	N	87.5	Confident	83.1	Confident	31 Å²	31	75.8 Å²	75.8	17%	0.166	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-113	3.8	-173.3	-58.8	-0.7	0	0	0	111.8	L493 N494 E495 Y499 H522	L493-N497 HydrophobicContact CB-CB 4.41Å; N494-N497 WeakPolarHBondContact O-CA 3.49Å; N494-N497 PolarHBondContact O-N 3.29Å; E495-N497 PolarHBondContact O-N 3.5Å; N497-Y499 PolarHBondContact O-N 3.04Å; N497-H522 HydrophobicContact CB-CB 4.19Å; N497-H522 PolarHBondContact ND2-CD2 3.1Å; N497-H522 PolarHBondContact ND2-NE2 2.78Å
498	Q	90.1	Very high	82.7	Confident	60 Å²	60	75.7 Å²	75.7	28%	0.28	41%	0.405	S	S	.	.			trans	-87.8	94.7	178	-69.4	173.1	25.1	0	0	109.6	Q492 L493 N494 E495 E512	Q492-Q498 VanDerWaalsContact NE2-NE2 3.12Å; L493-Q498 HydrophobicContact CB-CG 4.16Å; L493-Q498 PolarHBondContact O-NE2 2.64Å; N494-Q498 PolarHBondContact O-N 3.2Å; E495-Q498 PolarHBondContact O-N 3.33Å; Q498-E512 HydrophobicContact CG-CB 4.23Å
499	Y	88.3	Confident	82.5	Confident	24 Å²	24	78.2 Å²	78.2	9%	0.094	43%	0.427	C	S	.	.			trans	-101	-1.8	-176.3	-53.3	-44.8	0	0	0	114.5	C448 Y449 S496 N497 F504 D521 H522	C448-Y499 WeakPolarHBondContact SG-CD2 3.26Å; C448-Y499 WeakPolarHBondContact SG-CE2 3.09Å; Y449-Y499 WeakPolarHBondContact CD2-O 3.16Å; S496-Y499 WeakPolarHBondContact O-CE1 3Å; S496-Y499 PolarHBondContact O-OH 2.64Å; N497-Y499 PolarHBondContact O-N 3.04Å; Y499-F504 WeakPolarHBondContact O-CE2 3.45Å; Y499-D521 WeakPolarHBondContact CE2-O 3.17Å; Y499-D521 PolarHBondContact OH-O 2.81Å; Y499-D521 VanDerWaalsContact OH-O 3.08Å; Y499-H522 HydrophobicContact CE2-CB 4.27Å
500	M	86.4	Confident	82.5	Confident	16 Å²	16	79.3 Å²	79.3	8%	0.079	43%	0.432	C	S	.	.			trans	-98	124.3	-175	-53.1	-52.4	137.7	0	0	110.9	L486 F504 F506 K511 P524	L486-M500 HydrophobicContact CD1-CE 3.63Å; L486-M500 HydrophobicContact CD1-CG 4.25Å; L486-M500 HydrophobicContact CD1-SD 3.93Å; L486-M500 HydrophobicContact CD2-CE 4.38Å; L486-M500 HydrophobicContact CD2-SD 3.91Å; M500-F504 HydrophobicContact CE-CE1 4.24Å; M500-F504 HydrophobicContact SD-CD1 3.45Å; M500-F504 WeakPolarHBondContact SD-CD1 3.42Å; M500-F504 HydrophobicContact SD-CE1 3.34Å; M500-F504 WeakPolarHBondContact SD-CE1 3.41Å; M500-F504 HydrophobicContact SD-CE2 4.41Å; M500-F504 HydrophobicContact SD-CG 4.08Å; M500-F504 HydrophobicContact SD-CZ 3.86Å; M500-F506 HydrophobicContact CB-CE1 4.36Å; M500-F506 HydrophobicContact CB-CZ 4.05Å; M500-F506 HydrophobicContact CG-CE1 4.37Å; M500-F506 HydrophobicContact CG-CZ 4.15Å; M500-F506 HydrophobicContact SD-CE1 4.44Å; M500-K511 HydrophobicContact CB-CB 4.11Å; M500-P524 HydrophobicContact CE-CB 4.01Å; M500-P524 HydrophobicContact CE-CG 3.6Å
501	D	81.4	Confident	82.6	Confident	41 Å²	41	72.1 Å²	72.1	22%	0.219	40%	0.399	C	S	.	.			trans	-126.3	-170.7	176.5	75.9	4.9	0	0	0	112.5	Y449 S503 F504 K511	Y449-D501 HydrophobicContact CE2-CB 4.24Å; Y449-D501 VanDerWaalsContact CE2-OD2 3.28Å; Y449-D501 WeakPolarHBondContact CE2-OD2 3.27Å; Y449-D501 PolarHBondContact OH-OD2 2.96Å; D501-S503 PolarHBondContact O-N 3.42Å; D501-S503 WeakPolarHBondContact OD1-CA 3.38Å; D501-S503 WeakPolarHBondContact OD1-CB 3.45Å; D501-S503 PolarHBondContact OD1-N 3.25Å; D501-S503 PolarHBondContact OD1-OG 2.87Å; D501-F504 PolarHBondContact O-N 3.2Å; D501-F504 WeakPolarHBondContact OD1-CD2 3.35Å; D501-K511 PolarHBondContact O-NZ 2.93Å
502	D	77.5	Confident	82.6	Confident	147 Å²	147	69 Å²	69	79%	0.786	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-7.8	179.2	-68	-25.7	0	0	0	115.4	K511	D502-K511 VanDerWaalsContact CA-NZ 3.29Å; D502-K511 IonicContact OD1-NZ 3.35Å; D502-K511 PolarHBondContact OD1-NZ 3.32Å
503	S	73.4	Confident	82.6	Confident	55 Å²	55	65.6 Å²	65.6	39%	0.385	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-11.5	171.8	76.8	0	0	0	0	113.3	R456 D501	R456-S503 PolarHBondContact NH1-O 2.92Å; R456-S503 PolarHBondContact NH1-OG 3.34Å; R456-S503 PolarHBondContact NH2-O 3.46Å; D501-S503 PolarHBondContact O-N 3.42Å; D501-S503 WeakPolarHBondContact OD1-CA 3.38Å; D501-S503 WeakPolarHBondContact OD1-CB 3.45Å; D501-S503 PolarHBondContact OD1-N 3.25Å; D501-S503 PolarHBondContact OD1-OG 2.87Å
504	F	72.3	Confident	82.8	Confident	8 Å²	8	66.1 Å²	66.1	4%	0.035	36%	0.364	C	S	.	.	S	Bend	trans	-80.5	141.3	177.4	-77	-111.5	0	0	0	111.6	Y449 I452 D467 Y499 M500 D501 F506	Y449-F504 HydrophobicContact CD2-CE2 4.42Å; I452-F504 HydrophobicContact CD1-CZ 4.19Å; I452-F504 HydrophobicContact CG2-CZ 4.06Å; D467-F504 HydrophobicContact CB-CD1 3.5Å; D467-F504 VanDerWaalsContact CB-CD1 3.5Å; D467-F504 HydrophobicContact CB-CE1 3.6Å; D467-F504 HydrophobicContact CB-CG 4.38Å; D467-F504 WeakPolarHBondContact O-CD1 3.47Å; Y499-F504 WeakPolarHBondContact O-CE2 3.45Å; M500-F504 HydrophobicContact CE-CE1 4.24Å; M500-F504 HydrophobicContact SD-CD1 3.45Å; M500-F504 WeakPolarHBondContact SD-CD1 3.42Å; M500-F504 HydrophobicContact SD-CE1 3.34Å; M500-F504 WeakPolarHBondContact SD-CE1 3.41Å; M500-F504 HydrophobicContact SD-CE2 4.41Å; M500-F504 HydrophobicContact SD-CG 4.08Å; M500-F504 HydrophobicContact SD-CZ 3.86Å; D501-F504 PolarHBondContact O-N 3.2Å; D501-F504 WeakPolarHBondContact OD1-CD2 3.35Å; F504-F506 HydrophobicContact CB-CD1 3.89Å; F504-F506 HydrophobicContact CB-CE1 3.7Å; F504-F506 HydrophobicContact CD1-CE1 4.39Å; F504-F506 HydrophobicContact CG-CE1 4.38Å; F504-F506 PolarHBondContact O-N 2.62Å
505	A	68.5	Low	82.8	Confident	69 Å²	69	60.6 Å²	60.6	57%	0.57	34%	0.335	S	S	*	.	S	Bend	trans	-82.5	39.3	-167	0	0	0	0	0	113.8	I468	I468-A505 HydrophobicContact CD1-CB 4.12Å; I468-A505 HydrophobicContact CG1-CB 3.8Å
506	F	73.5	Confident	82.9	Confident	25 Å²	25	52.3 Å²	52.3	11%	0.11	30%	0.296	C	S	.	.			trans	-138.5	150.5	175.5	72.2	-85.4	0	0	0	112.6	P469 L486 M500 F504 D508 K511 Y514	P469-F506 HydrophobicContact CG-CB 4.17Å; P469-F506 HydrophobicContact CG-CD1 3.92Å; P469-F506 HydrophobicContact CG-CD2 4.13Å; P469-F506 HydrophobicContact CG-CE1 4.32Å; P469-F506 HydrophobicContact CG-CG 3.82Å; L486-F506 HydrophobicContact CD2-CE1 4.28Å; M500-F506 HydrophobicContact CB-CE1 4.36Å; M500-F506 HydrophobicContact CB-CZ 4.05Å; M500-F506 HydrophobicContact CG-CE1 4.37Å; M500-F506 HydrophobicContact CG-CZ 4.15Å; M500-F506 HydrophobicContact SD-CE1 4.44Å; F504-F506 HydrophobicContact CB-CD1 3.89Å; F504-F506 HydrophobicContact CB-CE1 3.7Å; F504-F506 HydrophobicContact CD1-CE1 4.39Å; F504-F506 HydrophobicContact CG-CE1 4.38Å; F504-F506 PolarHBondContact O-N 2.62Å; F506-D508 HydrophobicContact CD2-CB 3.9Å; F506-D508 HydrophobicContact CE2-CB 3.97Å; F506-K511 HydrophobicContact CE2-CG 4.17Å; F506-K511 HydrophobicContact CZ-CG 4.2Å; F506-Y514 HydrophobicContact CE2-CD1 4.17Å; F506-Y514 AromaticContact CE2-CD2 3.89Å; F506-Y514 HydrophobicContact CE2-CD2 3.89Å; F506-Y514 HydrophobicContact CE2-CE1 4.21Å; F506-Y514 AromaticContact CE2-CE2 3.94Å; F506-Y514 HydrophobicContact CE2-CE2 3.94Å; F506-Y514 AromaticContact CE2-CG 3.99Å; F506-Y514 HydrophobicContact CE2-CG 3.99Å; F506-Y514 HydrophobicContact CZ-CD1 4.19Å; F506-Y514 HydrophobicContact CZ-CD2 4.23Å; F506-Y514 AromaticContact CZ-CG 3.95Å; F506-Y514 HydrophobicContact CZ-CG 3.95Å
507	T	74.5	Confident	82.6	Confident	147 Å²	147	52.5 Å²	52.5	90%	0.902	28%	0.284	S	S	*	.			trans	-100.9	13.4	-165.1	59.8	0	0	0	0	114.8
508	D	78.3	Confident	82.3	Confident	40 Å²	40	54.8 Å²	54.8	21%	0.214	30%	0.301	C	S	.	.			trans	-71.9	138.7	176.8	-161.5	-35.8	0	0	0	109.8	K488 F506 E510 K511 Y514	K488-D508 IonicContact NZ-OD1 3.79Å; K488-D508 PolarHBondContact NZ-OD1 3.01Å; K488-D508 IonicContact NZ-OD2 2.99Å; K488-D508 PolarHBondContact NZ-OD2 2.56Å; F506-D508 HydrophobicContact CD2-CB 3.9Å; F506-D508 HydrophobicContact CE2-CB 3.97Å; D508-E510 PolarHBondContact OD1-N 2.99Å; D508-K511 WeakPolarHBondContact O-CE 3.47Å; D508-K511 WeakPolarHBondContact O-CG 3.45Å; D508-Y514 HydrophobicContact CB-CE2 3.84Å; D508-Y514 WeakPolarHBondContact OD2-CE2 3.46Å; D508-Y514 PolarHBondContact OD2-OH 2.95Å; D508-Y514 VanDerWaalsContact OD2-OH 3.14Å
509	T	82.3	Confident	81.7	Confident	130 Å²	130	56 Å²	56	80%	0.798	31%	0.306	S	S	*	.	S	Bend	trans	-81.5	-22.6	178.9	50.9	0	0	0	0	112.9	K511	T509-K511 VanDerWaalsContact C-N 3.32Å; T509-K511 PolarHBondContact O-N 3.04Å
510	E	86.6	Confident	81.5	Confident	65 Å²	65	56.9 Å²	56.9	30%	0.304	31%	0.311	S	S	.	.			trans	-93.5	52.4	-178.9	-62.5	-179.4	101.6	0	0	111.5	K488 D508 E512 K513 Y514	K488-E510 WeakPolarHBondContact CE-OE2 3Å; K488-E510 IonicContact NZ-OE2 2.8Å; K488-E510 PolarHBondContact NZ-OE2 2.82Å; D508-E510 PolarHBondContact OD1-N 2.99Å; E510-E512 WeakPolarHBondContact CA-OE1 3.04Å; E510-E512 WeakPolarHBondContact CA-OE2 3.14Å; E510-E512 PolarHBondContact O-N 3.17Å; E510-K513 HydrophobicContact CB-CD 4.16Å; E510-K513 HydrophobicContact CB-CG 4.39Å; E510-K513 WeakPolarHBondContact O-CB 3.44Å; E510-K513 PolarHBondContact O-N 3.04Å; E510-K513 VanDerWaalsContact OE1-CE 3.31Å; E510-K513 WeakPolarHBondContact OE1-CE 3.43Å; E510-K513 IonicContact OE1-NZ 2.61Å; E510-K513 PolarHBondContact OE1-NZ 3.39Å; E510-Y514 WeakPolarHBondContact O-CD2 3.31Å
511	K	85.9	Confident	81.6	Confident	28 Å²	28	61.5 Å²	61.5	12%	0.122	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-61.9	-28.2	-176.1	-67.6	-174.1	179.1	177.9	0	113.1	M500 D501 D502 F506 D508 T509 K513 Y514	M500-K511 HydrophobicContact CB-CB 4.11Å; D501-K511 PolarHBondContact O-NZ 2.93Å; D502-K511 VanDerWaalsContact CA-NZ 3.29Å; D502-K511 IonicContact OD1-NZ 3.35Å; D502-K511 PolarHBondContact OD1-NZ 3.32Å; F506-K511 HydrophobicContact CE2-CG 4.17Å; F506-K511 HydrophobicContact CZ-CG 4.2Å; D508-K511 WeakPolarHBondContact O-CE 3.47Å; D508-K511 WeakPolarHBondContact O-CG 3.45Å; T509-K511 VanDerWaalsContact C-N 3.32Å; T509-K511 PolarHBondContact O-N 3.04Å; K511-K513 PolarHBondContact O-N 3.29Å; K511-K513 VanDerWaalsContact O-N 3.12Å; K511-Y514 PolarHBondContact O-N 3.26Å
512	E	88	Confident	82.1	Confident	55 Å²	55	60.7 Å²	60.7	26%	0.257	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-62.6	-13.5	175	69.2	-76.7	175.7	0	0	114	Q492 L493 Q498 E510	Q492-E512 HydrophobicContact CB-CG 4.4Å; Q492-E512 HydrophobicContact CG-CB 3.98Å; Q492-E512 HydrophobicContact CG-CG 3.65Å; L493-E512 WeakPolarHBondContact CB-O 3.35Å; L493-E512 PolarHBondContact N-O 3.42Å; Q498-E512 HydrophobicContact CG-CB 4.23Å; E510-E512 WeakPolarHBondContact CA-OE1 3.04Å; E510-E512 WeakPolarHBondContact CA-OE2 3.14Å; E510-E512 PolarHBondContact O-N 3.17Å
513	K	91.1	Very high	82.8	Confident	44 Å²	44	54.1 Å²	54.1	19%	0.191	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-95.2	-7.8	173.7	-64.8	-175	177.6	177	0	113.4	K488 H489 Q492 E510 K511	K488-K513 HydrophobicContact CG-CB 3.94Å; H489-K513 WeakPolarHBondContact CB-O 3.45Å; H489-K513 PolarHBondContact CD2-O 2.94Å; H489-K513 VanDerWaalsContact CD2-O 3.27Å; H489-K513 PolarHBondContact N-O 3.18Å; Q492-K513 HydrophobicContact CB-CG 4.5Å; E510-K513 HydrophobicContact CB-CD 4.16Å; E510-K513 HydrophobicContact CB-CG 4.39Å; E510-K513 WeakPolarHBondContact O-CB 3.44Å; E510-K513 PolarHBondContact O-N 3.04Å; E510-K513 VanDerWaalsContact OE1-CE 3.31Å; E510-K513 WeakPolarHBondContact OE1-CE 3.43Å; E510-K513 IonicContact OE1-NZ 2.61Å; E510-K513 PolarHBondContact OE1-NZ 3.39Å; K511-K513 PolarHBondContact O-N 3.29Å; K511-K513 VanDerWaalsContact O-N 3.12Å
514	Y	90.1	Very high	83.7	Confident	28 Å²	28	51.5 Å²	51.5	11%	0.11	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130	-175.7	-84.4	-97.5	0	0	0	111.8	P469 L486 F487 K488 L493 F506 D508 E510 K511	P469-Y514 HydrophobicContact CB-CE1 4.21Å; P469-Y514 HydrophobicContact CG-CD1 4.21Å; P469-Y514 HydrophobicContact CG-CE1 3.83Å; L486-Y514 HydrophobicContact CD1-CD1 4.08Å; L486-Y514 HydrophobicContact CG-CD1 4.17Å; F487-Y514 WeakPolarHBondContact O-CA 3.37Å; K488-Y514 HydrophobicContact CB-CD1 4.48Å; K488-Y514 HydrophobicContact CB-CD2 4.3Å; K488-Y514 HydrophobicContact CB-CE1 4.05Å; K488-Y514 HydrophobicContact CB-CE2 3.84Å; K488-Y514 HydrophobicContact CD-CE2 3.79Å; K488-Y514 HydrophobicContact CG-CD2 4.2Å; K488-Y514 HydrophobicContact CG-CE2 3.77Å; L493-Y514 WeakPolarHBondContact CD1-O 3.35Å; F506-Y514 HydrophobicContact CE2-CD1 4.17Å; F506-Y514 AromaticContact CE2-CD2 3.89Å; F506-Y514 HydrophobicContact CE2-CD2 3.89Å; F506-Y514 HydrophobicContact CE2-CE1 4.21Å; F506-Y514 AromaticContact CE2-CE2 3.94Å; F506-Y514 HydrophobicContact CE2-CE2 3.94Å; F506-Y514 AromaticContact CE2-CG 3.99Å; F506-Y514 HydrophobicContact CE2-CG 3.99Å; F506-Y514 HydrophobicContact CZ-CD1 4.19Å; F506-Y514 HydrophobicContact CZ-CD2 4.23Å; F506-Y514 AromaticContact CZ-CG 3.95Å; F506-Y514 HydrophobicContact CZ-CG 3.95Å; D508-Y514 HydrophobicContact CB-CE2 3.84Å; D508-Y514 WeakPolarHBondContact OD2-CE2 3.46Å; D508-Y514 PolarHBondContact OD2-OH 2.95Å; D508-Y514 VanDerWaalsContact OD2-OH 3.14Å; E510-Y514 WeakPolarHBondContact O-CD2 3.31Å; K511-Y514 PolarHBondContact O-N 3.26Å
515	G	89.4	Confident	84.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.3	166.7	173.9	0	0	0	0	0	111	F487 H489	F487-G515 PolarHBondContact N-O 3.46Å; F487-G515 PolarHBondContact O-N 2.87Å; F487-G515 VanDerWaalsContact O-N 3.15Å; H489-G515 PolarHBondContact NE2-O 3.34Å
516	G	87.8	Confident	85.4	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.253	C	S	.	.			trans	-79.2	-159.1	173.4	0	0	0	0	0	113.2	A485 H489 H522	A485-G516 WeakPolarHBondContact O-CA 3.35Å; H489-G516 PolarHBondContact NE2-O 2.73Å; G516-H522 PolarHBondContact N-O 3.2Å; G516-H522 PolarHBondContact O-ND1 2.85Å
517	Y	81.7	Confident	85.6	Confident	89 Å²	89	49 Å²	49	35%	0.349	26%	0.257	S	S	.	.			trans	-70.5	145	179.9	-67.1	-72.1	0	0	0	112.3	A485 F487 F519 L520 H522 L527	A485-Y517 HydrophobicContact CB-CD2 4.04Å; A485-Y517 HydrophobicContact CB-CE2 3.81Å; F487-Y517 HydrophobicContact CE1-CD1 4.1Å; F487-Y517 HydrophobicContact CE1-CD2 4.36Å; F487-Y517 AromaticContact CE1-CE1 3.93Å; F487-Y517 HydrophobicContact CE1-CE1 3.93Å; F487-Y517 HydrophobicContact CE1-CE2 4.21Å; F487-Y517 HydrophobicContact CE1-CG 4.3Å; F487-Y517 AromaticContact CE1-CZ 3.99Å; F487-Y517 AromaticContact CZ-CD1 3.78Å; F487-Y517 HydrophobicContact CZ-CD1 3.78Å; F487-Y517 AromaticContact CZ-CE1 3.85Å; F487-Y517 HydrophobicContact CZ-CE1 3.85Å; F487-Y517 HydrophobicContact CZ-CG 4.25Å; Y517-F519 VanDerWaalsContact C-N 3.27Å; Y517-F519 HydrophobicContact CD1-CE1 4.04Å; Y517-F519 HydrophobicContact CD2-CE1 4.19Å; Y517-F519 HydrophobicContact CD2-CZ 4Å; Y517-F519 HydrophobicContact CG-CD1 4.43Å; Y517-F519 AromaticContact CG-CE1 3.59Å; Y517-F519 HydrophobicContact CG-CE1 3.59Å; Y517-F519 AromaticContact CG-CZ 3.88Å; Y517-F519 HydrophobicContact CG-CZ 3.88Å; Y517-F519 PolarHBondContact O-N 3.13Å; Y517-L520 PolarHBondContact O-N 3.15Å; Y517-H522 WeakPolarHBondContact O-CA 3.23Å; Y517-H522 PolarHBondContact O-N 3Å; Y517-L527 HydrophobicContact CD2-CD1 3.89Å; Y517-L527 HydrophobicContact CE2-CD1 3.66Å
518	P	80.8	Confident	85.7	Confident	80 Å²	80	42.4 Å²	42.4	52%	0.519	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-58.2	-33.2	180	-26	33.7	0	0	0	114.8	L520 D521	P518-L520 PolarHBondContact O-N 2.74Å; P518-D521 PolarHBondContact O-N 3.4Å; P518-D521 VanDerWaalsContact O-N 3.16Å
519	F	78.2	Confident	85.1	Confident	86 Å²	86	43.5 Å²	43.5	38%	0.377	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-75	-7.7	179.3	64.4	-95	0	0	0	113.7	Y402 Y517	Y402-F519 HydrophobicContact CD2-CE1 4.4Å; Y402-F519 HydrophobicContact CG-CE2 4.5Å; Y402-F519 HydrophobicContact CG-CZ 4.34Å; Y517-F519 VanDerWaalsContact C-N 3.27Å; Y517-F519 HydrophobicContact CD1-CE1 4.04Å; Y517-F519 HydrophobicContact CD2-CE1 4.19Å; Y517-F519 HydrophobicContact CD2-CZ 4Å; Y517-F519 HydrophobicContact CG-CD1 4.43Å; Y517-F519 AromaticContact CG-CE1 3.59Å; Y517-F519 HydrophobicContact CG-CE1 3.59Å; Y517-F519 AromaticContact CG-CZ 3.88Å; Y517-F519 HydrophobicContact CG-CZ 3.88Å; Y517-F519 PolarHBondContact O-N 3.13Å
520	L	84.2	Confident	83.7	Confident	41 Å²	41	37.9 Å²	37.9	22%	0.215	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-108.2	27.6	171	-62.2	171.4	0	0	0	110.3	Y517 P518 H522 C523 V525 L527	Y517-L520 PolarHBondContact O-N 3.15Å; P518-L520 PolarHBondContact O-N 2.74Å; L520-H522 PolarHBondContact O-N 2.91Å; L520-C523 VanDerWaalsContact O-CB 3.24Å; L520-C523 WeakPolarHBondContact O-CB 3.26Å; L520-C523 PolarHBondContact O-N 3.15Å; L520-V525 HydrophobicContact CB-CG2 4.49Å; L520-V525 HydrophobicContact CD1-CB 4.02Å; L520-V525 HydrophobicContact CD1-CG2 3.93Å; L520-L527 HydrophobicContact CD1-CD2 4.4Å
521	D	89.2	Confident	81.9	Confident	113 Å²	113	40.1 Å²	40.1	60%	0.604	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	24.3	-174.6	-62.4	-31.3	0	0	0	114	Y499 P518 C523	Y499-D521 WeakPolarHBondContact CE2-O 3.17Å; Y499-D521 PolarHBondContact OH-O 2.81Å; Y499-D521 VanDerWaalsContact OH-O 3.08Å; P518-D521 PolarHBondContact O-N 3.4Å; P518-D521 VanDerWaalsContact O-N 3.16Å; D521-C523 PolarHBondContact O-N 3.27Å
522	H	89.9	Confident	79.9	Confident	24 Å²	24	43.8 Å²	43.8	11%	0.111	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	16.3	-170.6	-55	-91.8	0	0	0	115.4	H489 N497 Y499 G516 Y517 L520	H489-H522 AromaticContact CE1-ND1 3.94Å; N497-H522 HydrophobicContact CB-CB 4.19Å; N497-H522 PolarHBondContact ND2-CD2 3.1Å; N497-H522 PolarHBondContact ND2-NE2 2.78Å; Y499-H522 HydrophobicContact CE2-CB 4.27Å; G516-H522 PolarHBondContact N-O 3.2Å; G516-H522 PolarHBondContact O-ND1 2.85Å; Y517-H522 WeakPolarHBondContact O-CA 3.23Å; Y517-H522 PolarHBondContact O-N 3Å; L520-H522 PolarHBondContact O-N 2.91Å
523	C	92.3	Very high	77.6	Confident	10 Å²	10	50.8 Å²	50.8	7%	0.068	25%	0.252	C	S	.	.			trans	-68.3	140.8	172.8	-66.1	0	0	0	0	111.8	C448 Y465 L520 D521 V525	C448-C523 HydrophobicContact CB-CB 3.68Å; C448-C523 WeakPolarHBondContact CB-SG 3.5Å; C448-C523 VanDerWaalsContact SG-CA 3.51Å; C448-C523 WeakPolarHBondContact SG-CB 3.16Å; C448-C523 CovalentContact SG-SG 2.04Å; C448-C523 PolarHBondContact SG-SG 2.74Å; Y465-C523 HydrophobicContact CD1-CB 4.03Å; Y465-C523 HydrophobicContact CE1-CB 3.61Å; L520-C523 VanDerWaalsContact O-CB 3.24Å; L520-C523 WeakPolarHBondContact O-CB 3.26Å; L520-C523 PolarHBondContact O-N 3.15Å; D521-C523 PolarHBondContact O-N 3.27Å; C523-V525 HydrophobicContact CB-CG2 4.41Å; C523-V525 PolarHBondContact O-N 3.33Å; C523-V525 VanDerWaalsContact O-N 3.16Å
524	P	92.1	Very high	75.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.275	C	S	.	.			trans	-77.9	101.3	177.4	32.6	-35.1	0	0	0	109.5	I452 Y465 C466 L486 M500	I452-P524 HydrophobicContact CD1-CG 4.02Å; Y465-P524 CarbonylContact C-O 3.57Å; Y465-P524 WeakPolarHBondContact CA-O 3.47Å; Y465-P524 WeakPolarHBondContact CB-O 3.21Å; Y465-P524 WeakPolarHBondContact CD1-O 3.03Å; C466-P524 PolarHBondContact N-O 3.22Å; C466-P524 VanDerWaalsContact O-CB 3.23Å; C466-P524 WeakPolarHBondContact O-CB 3.45Å; C466-P524 WeakPolarHBondContact O-CG 3.2Å; C466-P524 VanDerWaalsContact SG-C 3.56Å; C466-P524 PolarHBondContact SG-O 2.77Å; L486-P524 HydrophobicContact CB-CB 3.99Å; L486-P524 HydrophobicContact CD1-CB 4.21Å; L486-P524 HydrophobicContact CD2-CB 4.25Å; L486-P524 HydrophobicContact CG-CB 4.37Å; M500-P524 HydrophobicContact CE-CB 4.01Å; M500-P524 HydrophobicContact CE-CG 3.6Å
525	V	89.2	Confident	73.9	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.006	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	139.6	-176.7	174.2	0	0	0	0	110.4	W435 Y465 C466 A485 L520 C523 L527	W435-V525 HydrophobicContact CH2-CB 4.2Å; W435-V525 HydrophobicContact CH2-CG1 3.35Å; W435-V525 HydrophobicContact CH2-CG2 3.74Å; W435-V525 HydrophobicContact CZ2-CG2 4.41Å; W435-V525 HydrophobicContact CZ3-CG1 3.52Å; Y465-V525 HydrophobicContact CD1-CG2 3.97Å; Y465-V525 HydrophobicContact CE1-CG2 4.07Å; C466-V525 VanDerWaalsContact SG-C 3.51Å; A485-V525 WeakPolarHBondContact CB-O 3.48Å; A485-V525 PolarHBondContact N-O 2.93Å; L520-V525 HydrophobicContact CB-CG2 4.49Å; L520-V525 HydrophobicContact CD1-CB 4.02Å; L520-V525 HydrophobicContact CD1-CG2 3.93Å; C523-V525 HydrophobicContact CB-CG2 4.41Å; C523-V525 PolarHBondContact O-N 3.33Å; C523-V525 VanDerWaalsContact O-N 3.16Å; V525-L527 HydrophobicContact CB-CD2 4.26Å; V525-L527 HydrophobicContact CB-CG 4.39Å; V525-L527 HydrophobicContact CG1-CD2 3.56Å; V525-L527 HydrophobicContact CG1-CG 4.06Å; V525-L527 PolarHBondContact O-N 2.84Å
526	L	87.7	Confident	72.6	Confident	11 Å²	11	57.1 Å²	57.1	6%	0.058	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	109.6	168.6	-169.3	72.2	0	0	0	108.7	P464 K473 D475 G482	P464-L526 PolarHBondContact O-N 2.89Å; K473-L526 HydrophobicContact CB-CD1 4.17Å; K473-L526 HydrophobicContact CB-CD2 3.96Å; D475-L526 HydrophobicContact CB-CD2 4.26Å; G482-L526 WeakPolarHBondContact O-CD1 3.02Å
527	L	79.2	Confident	72	Confident	38 Å²	38	57.9 Å²	57.9	20%	0.199	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	132.3	-174.9	-66.6	179	0	0	0	111.9	G482 T483 A485 Y517 L520 V525 L529	G482-L527 CarbonylContact C-O 3.59Å; G482-L527 WeakPolarHBondContact CA-O 3.03Å; T483-L527 PolarHBondContact N-O 2.78Å; T483-L527 PolarHBondContact O-N 3.49Å; A485-L527 HydrophobicContact CB-CD1 3.6Å; A485-L527 HydrophobicContact CB-CG 4.06Å; Y517-L527 HydrophobicContact CD2-CD1 3.89Å; Y517-L527 HydrophobicContact CE2-CD1 3.66Å; L520-L527 HydrophobicContact CD1-CD2 4.4Å; V525-L527 HydrophobicContact CB-CD2 4.26Å; V525-L527 HydrophobicContact CB-CG 4.39Å; V525-L527 HydrophobicContact CG1-CD2 3.56Å; V525-L527 HydrophobicContact CG1-CG 4.06Å; V525-L527 PolarHBondContact O-N 2.84Å; L527-L529 HydrophobicContact CB-CD2 4.5Å
528	V	76.6	Confident	71.8	Confident	8 Å²	8	55 Å²	55	5%	0.048	29%	0.286	C	S	.	.			trans	-99.2	112.1	169.6	-177.7	0	0	0	0	107.2	D475 E478 S537 L538	D475-V528 HydrophobicContact CB-CG2 3.39Å; E478-V528 HydrophobicContact CB-CB 4.31Å; E478-V528 HydrophobicContact CB-CG1 4.31Å; E478-V528 HydrophobicContact CB-CG2 4.09Å; E478-V528 WeakPolarHBondContact OE2-CB 3.02Å; E478-V528 WeakPolarHBondContact OE2-CG1 3.22Å; V528-S537 WeakPolarHBondContact CG1-OG 3.43Å; V528-L538 HydrophobicContact CG1-CD2 3.87Å; V528-L538 HydrophobicContact CG1-CG 4.23Å
529	L	63.8	Low	71.8	Confident	62 Å²	62	51.1 Å²	51.1	33%	0.325	26%	0.262	S	S	.	.			trans	-102	110	-176.6	-64.9	177.8	0	0	0	110.2	L527 H531 S537	L527-L529 HydrophobicContact CB-CD2 4.5Å; L529-H531 PolarHBondContact O-N 3.48Å; L529-S537 PolarHBondContact N-OG 2.95Å; L529-S537 VanDerWaalsContact N-OG 3.1Å; L529-S537 WeakPolarHBondContact O-CB 3.47Å; L529-S537 PolarHBondContact O-OG 3.29Å
530	P	53	Low	71.7	Confident	12 Å²	12	49.8 Å²	49.8	8%	0.078	26%	0.257	C	S	.	.	S	Bend	trans	-59.3	-22	-169.6	19.8	-30.9	0	0	0	114	S536 L538	P530-S536 PolarHBondContact O-OG 2.75Å; P530-L538 HydrophobicContact CB-CD1 4.3Å
531	H	49.7	Very low	70.8	Confident	113 Å²	113	51.6 Å²	51.6	52%	0.523	26%	0.263	S	S	.	.			trans	-137	100.3	178.6	-76.8	-79.1	0	0	0	112.1	E405 L529 K541	E405-H531 IonicContact OE1-CD2 3.02Å; E405-H531 IonicContact OE2-CD2 3.6Å; E405-H531 PolarHBondContact OE2-CD2 3.34Å; E405-H531 IonicContact OE2-NE2 2.91Å; E405-H531 PolarHBondContact OE2-NE2 2.04Å; L529-H531 PolarHBondContact O-N 3.48Å; H531-K541 PolarHBondContact CE1-NZ 3.09Å; H531-K541 PolarHBondContact NE2-NZ 3.09Å
532	N	43.6	Very low	69.6	Low	104 Å²	104	52.2 Å²	52.2	56%	0.556	26%	0.262	S	S	*	.	B	Isolated β-bridge	trans	-93.1	146.7	146.3	-96	-18.9	0	0	0	107.9	V534 K535	N532-V534 PolarHBondContact O-N 3.4Å; N532-K535 PolarHBondContact O-N 3.35Å
533	E	40.4	Very low	68	Low	203 Å²	203	53.7 Å²	53.7	95%	0.949	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-13.5	-176.8	-67.7	-175.1	163.9	0	0	114.8
534	V	47.9	Very low	65.8	Low	113 Å²	113	57.6 Å²	57.6	69%	0.685	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.7	-27	-170.3	-168.3	0	0	0	0	113.6	N532 L545	N532-V534 PolarHBondContact O-N 3.4Å; V534-L545 WeakPolarHBondContact O-CD1 3.25Å
535	K	54.5	Low	63.5	Low	76 Å²	76	62.6 Å²	62.6	33%	0.33	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-163.4	134.1	-178.6	-149.6	174.1	-167.8	-177	0	110.6	N532 D556	N532-K535 PolarHBondContact O-N 3.35Å; K535-D556 VanDerWaalsContact CE-OD2 3.29Å; K535-D556 WeakPolarHBondContact CE-OD2 3.4Å; K535-D556 IonicContact NZ-OD2 2.6Å; K535-D556 PolarHBondContact NZ-OD2 2.99Å
536	S	62.9	Low	61.2	Low	15 Å²	15	71.3 Å²	71.3	11%	0.105	38%	0.384	C	S	.	.			trans	-63.6	148.4	171.7	-169.5	0	0	0	0	109.7	P530 L538 R558	P530-S536 PolarHBondContact O-OG 2.75Å; S536-L538 PolarHBondContact OG-N 2.81Å; S536-R558 PolarHBondContact O-NE 3.14Å; S536-R558 PolarHBondContact O-NH1 3.11Å; S536-R558 PolarHBondContact O-NH2 2.75Å
537	S	74.5	Confident	58.9	Low	17 Å²	17	74.2 Å²	74.2	12%	0.119	40%	0.403	C	S	.	.	S	Bend	trans	-82.1	-22.9	171.9	60.5	0	0	0	0	112.7	G480 I481 V528 L529 R558	G480-S537 CarbonylContact C-O 3.6Å; G480-S537 VanDerWaalsContact CA-O 3.28Å; G480-S537 WeakPolarHBondContact CA-O 3.4Å; I481-S537 PolarHBondContact N-O 2.79Å; I481-S537 WeakPolarHBondContact O-CB 3.45Å; V528-S537 WeakPolarHBondContact CG1-OG 3.43Å; L529-S537 PolarHBondContact N-OG 2.95Å; L529-S537 VanDerWaalsContact N-OG 3.1Å; L529-S537 WeakPolarHBondContact O-CB 3.47Å; L529-S537 PolarHBondContact O-OG 3.29Å; S537-R558 PolarHBondContact O-NH1 2.89Å
538	L	77.9	Confident	57.1	Low	27 Å²	27	80.4 Å²	80.4	14%	0.141	44%	0.436	C	S	.	.	B	Isolated β-bridge	trans	-75.3	137.3	179.2	-68.5	167.7	0	0	0	111.2	E478 V528 P530 S536 K541 R558	E478-L538 HydrophobicContact CB-CD2 4.36Å; E478-L538 WeakPolarHBondContact OE2-CD2 3.36Å; V528-L538 HydrophobicContact CG1-CD2 3.87Å; V528-L538 HydrophobicContact CG1-CG 4.23Å; P530-L538 HydrophobicContact CB-CD1 4.3Å; S536-L538 PolarHBondContact OG-N 2.81Å; L538-K541 HydrophobicContact CB-CB 4.19Å; L538-R558 PolarHBondContact O-NH1 2.03Å
539	C	81.6	Confident	55.8	Low	0 Å²	0	82.3 Å²	82.3	0%	0	45%	0.45	C	S	.	.	S	Bend	trans	-74.6	-35.7	178.4	-67.2	0	0	0	0	111.2	N479 K541 R558 G559 S562 C564 C587	N479-C539 PolarHBondContact O-N 3.07Å; C539-K541 PolarHBondContact O-N 2.91Å; C539-R558 CarbonylContact O-C 3.54Å; C539-R558 WeakPolarHBondContact O-CA 3.33Å; C539-R558 WeakPolarHBondContact O-CB 3.48Å; C539-G559 PolarHBondContact O-N 3.34Å; C539-S562 WeakPolarHBondContact CB-OG 3.3Å; C539-S562 PolarHBondContact O-OG 3.48Å; C539-C564 VanDerWaalsContact SG-CA 3.56Å; C539-C564 PolarHBondContact SG-N 3.5Å; C539-C564 VanDerWaalsContact SG-N 3.39Å; C539-C587 WeakPolarHBondContact CA-SG 3.33Å; C539-C587 HydrophobicContact CB-CB 3.6Å; C539-C587 WeakPolarHBondContact CB-SG 3.04Å; C539-C587 WeakPolarHBondContact SG-CB 3.24Å; C539-C587 CovalentContact SG-SG 2.04Å; C539-C587 PolarHBondContact SG-SG 3.34Å
540	E	75.6	Confident	55.1	Low	58 Å²	58	84.2 Å²	84.2	27%	0.271	46%	0.464	S	S	.	.	S	Bend	trans	-71.1	-12.4	-177.3	-69	166.6	-162.7	0	0	114.9	N392 N479 G559 P560	N392-E540 PolarHBondContact ND2-OE2 2.87Å; N392-E540 VanDerWaalsContact ND2-OE2 3.17Å; N479-E540 WeakPolarHBondContact CB-OE1 3.21Å; N479-E540 WeakPolarHBondContact ND2-CG 3Å; N479-E540 PolarHBondContact ND2-OE1 3.06Å; E540-G559 WeakPolarHBondContact CA-O 3.36Å; E540-G559 CarbonylContact O-C 3.37Å; E540-P560 WeakPolarHBondContact O-CA 2.99Å; E540-P560 WeakPolarHBondContact O-CD 3.2Å
541	K	65.9	Low	55	Low	79 Å²	79	86 Å²	86	34%	0.343	47%	0.473	S	S	.	.	S	Bend	trans	-99.2	116	-173.7	-161.2	170.2	-178.2	178.2	0	110.3	H531 L538 C539 S543 R558	H531-K541 PolarHBondContact CE1-NZ 3.09Å; H531-K541 PolarHBondContact NE2-NZ 3.09Å; L538-K541 HydrophobicContact CB-CB 4.19Å; C539-K541 PolarHBondContact O-N 2.91Å; K541-S543 PolarHBondContact O-N 2.03Å; K541-R558 WeakPolarHBondContact O-CB 3.28Å
542	E	63.4	Low	55.1	Low	126 Å²	126	84.6 Å²	84.6	59%	0.589	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-52.2	130.9	176.4	-76.5	175.4	-170.3	0	0	110.8	K385 G544	K385-E542 IonicContact NZ-OE1 3.34Å; E542-G544 PolarHBondContact O-N 2.76Å
543	S	56.2	Low	55.4	Low	55 Å²	55	83 Å²	83	39%	0.385	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-72.7	117.9	174.5	61.2	0	0	0	0	109.5	K541 L545	K541-S543 PolarHBondContact O-N 2.03Å; S543-L545 PolarHBondContact O-N 3.17Å
544	G	46.8	Very low	56.3	Low	91 Å²	91	76.4 Å²	76.4	94%	0.938	43%	0.432	S	S	*	.	S	Bend	trans	-69.5	10.6	178.9	0	0	0	0	0	115.9	E542	E542-G544 PolarHBondContact O-N 2.76Å
545	L	43.1	Very low	57.2	Low	105 Å²	105	72.4 Å²	72.4	55%	0.55	41%	0.406	S	S	.	.	S	Bend	trans	-116.7	136.4	-178	-80.8	158.1	0	0	0	110.5	V534 S543	V534-L545 WeakPolarHBondContact O-CD1 3.25Å; S543-L545 PolarHBondContact O-N 3.17Å
546	E	40.7	Very low	58.2	Low	185 Å²	185	70 Å²	70	86%	0.864	40%	0.397	S	S	*	.			trans	-61	131.5	162.7	-74.9	-168.5	160.3	0	0	108.5	D548	E546-D548 PolarHBondContact O-N 3.42Å
547	P	40	Very low	58.8	Low	71 Å²	71	73.8 Å²	73.8	46%	0.461	41%	0.41	S	S	.	.			trans	-66	130	-172.5	24.7	-33.6	0	0	0	112.1	S549 T553	P547-S549 PolarHBondContact O-N 3.47Å; P547-S549 VanDerWaalsContact O-N 3.09Å; P547-T553 HydrophobicContact CB-CG2 3.92Å; P547-T553 WeakPolarHBondContact CB-OG1 3.02Å; P547-T553 HydrophobicContact CG-CG2 3.7Å; P547-T553 WeakPolarHBondContact CG-OG1 3.42Å
548	D	41.7	Very low	59	Low	168 Å²	168	74 Å²	74	90%	0.898	41%	0.408	S	S	*	.	S	Bend	trans	-58.9	-22.7	-178.8	-117	-12.6	0	0	0	113.4	E546	E546-D548 PolarHBondContact O-N 3.42Å
549	S	48.9	Very low	58.7	Low	48 Å²	48	72.8 Å²	72.8	34%	0.336	40%	0.402	S	S	.	.	S	Bend	trans	-153.1	153.5	167.4	78.2	0	0	0	0	110.6	P547 L551 D552 T553	P547-S549 PolarHBondContact O-N 3.47Å; P547-S549 VanDerWaalsContact O-N 3.09Å; S549-L551 PolarHBondContact O-N 3.33Å; S549-L551 VanDerWaalsContact O-N 3.12Å; S549-L551 PolarHBondContact OG-N 3.38Å; S549-D552 PolarHBondContact O-N 2.82Å; S549-D552 VanDerWaalsContact O-N 3.14Å; S549-D552 PolarHBondContact OG-N 2.89Å; S549-T553 PolarHBondContact O-OG1 3.46Å
550	T	48.8	Very low	58.3	Low	103 Å²	103	73.9 Å²	73.9	63%	0.632	41%	0.409	S	S	*	.	H	α-helix	trans	-52.9	-32.8	172.8	15.2	0	0	0	0	111.8	T553 F554	T550-T553 PolarHBondContact O-OG1 2.96Å; T550-F554 VanDerWaalsContact CB-CE2 3.47Å; T550-F554 HydrophobicContact CG2-CE2 3.95Å; T550-F554 HydrophobicContact CG2-CZ 4.01Å; T550-F554 WeakPolarHBondContact O-CB 3.24Å; T550-F554 WeakPolarHBondContact O-CD2 3.17Å; T550-F554 WeakPolarHBondContact O-CE2 3.47Å; T550-F554 WeakPolarHBondContact O-CG 3.41Å; T550-F554 PolarHBondContact O-N 2.93Å
551	L	50.8	Low	58.5	Low	49 Å²	49	72.9 Å²	72.9	26%	0.257	41%	0.405	S	S	.	.	H	α-helix	trans	-67.4	-34.9	-179.7	-165.7	68.1	0	0	0	113.9	S549 F554 L555 Y572	S549-L551 PolarHBondContact O-N 3.33Å; S549-L551 VanDerWaalsContact O-N 3.12Å; S549-L551 PolarHBondContact OG-N 3.38Å; L551-F554 PolarHBondContact O-N 3.32Å; L551-L555 HydrophobicContact CD1-CD1 4.5Å; L551-L555 HydrophobicContact CG-CD1 4.15Å; L551-L555 WeakPolarHBondContact O-CD1 3.26Å; L551-L555 VanDerWaalsContact O-CG 3.29Å; L551-L555 WeakPolarHBondContact O-CG 3Å; L551-L555 PolarHBondContact O-N 2.91Å; L551-Y572 HydrophobicContact CD1-CD2 4.44Å
552	D	52.2	Low	59.4	Low	83 Å²	83	69.1 Å²	69.1	44%	0.444	39%	0.389	S	S	.	.	H	α-helix	trans	-75.3	-32.4	179.4	-81.1	-43.9	0	0	0	112.6	S549 F554 D556	S549-D552 PolarHBondContact O-N 2.82Å; S549-D552 VanDerWaalsContact O-N 3.14Å; S549-D552 PolarHBondContact OG-N 2.89Å; D552-F554 VanDerWaalsContact C-N 3.34Å; D552-D556 PolarHBondContact O-N 3.39Å
553	T	50.5	Low	60.6	Low	70 Å²	70	63.1 Å²	63.1	43%	0.429	36%	0.361	S	S	.	.	H	α-helix	trans	-70.6	-31.5	169	-6.4	0	0	0	0	112.1	P547 S549 T550 L555	P547-T553 HydrophobicContact CB-CG2 3.92Å; P547-T553 WeakPolarHBondContact CB-OG1 3.02Å; P547-T553 HydrophobicContact CG-CG2 3.7Å; P547-T553 WeakPolarHBondContact CG-OG1 3.42Å; S549-T553 PolarHBondContact O-OG1 3.46Å; T550-T553 PolarHBondContact O-OG1 2.96Å; T553-L555 PolarHBondContact O-N 2.85Å
554	F	58.6	Low	62.2	Low	66 Å²	66	61.3 Å²	61.3	29%	0.289	35%	0.348	S	S	.	.	H	α-helix	trans	-69.2	-19.8	179.2	-72.3	-46.7	0	0	0	113.5	T550 L551 D552 Y602 H603 L622	T550-F554 VanDerWaalsContact CB-CE2 3.47Å; T550-F554 HydrophobicContact CG2-CE2 3.95Å; T550-F554 HydrophobicContact CG2-CZ 4.01Å; T550-F554 WeakPolarHBondContact O-CB 3.24Å; T550-F554 WeakPolarHBondContact O-CD2 3.17Å; T550-F554 WeakPolarHBondContact O-CE2 3.47Å; T550-F554 WeakPolarHBondContact O-CG 3.41Å; T550-F554 PolarHBondContact O-N 2.93Å; L551-F554 PolarHBondContact O-N 3.32Å; D552-F554 VanDerWaalsContact C-N 3.34Å; F554-Y602 WeakPolarHBondContact O-CE2 3.32Å; F554-Y602 PolarHBondContact O-OH 3.02Å; F554-H603 AromaticContact CD1-NE2 3.68Å; F554-H603 AromaticContact CE1-NE2 3.4Å; F554-H603 WeakPolarHBondContact CE1-NE2 3.42Å; F554-L622 HydrophobicContact CD2-CD2 4.31Å; F554-L622 HydrophobicContact CE2-CD2 4.17Å; F554-L622 HydrophobicContact CZ-CD2 4.34Å
555	L	66.9	Low	64.3	Low	28 Å²	28	57.1 Å²	57.1	15%	0.147	30%	0.304	C	S	.	.	H	α-helix	trans	-109.5	-23.3	-171.7	-64.9	171.4	0	0	0	114.4	L551 T553 F570 S586 H588 F627	L551-L555 HydrophobicContact CD1-CD1 4.5Å; L551-L555 HydrophobicContact CG-CD1 4.15Å; L551-L555 WeakPolarHBondContact O-CD1 3.26Å; L551-L555 VanDerWaalsContact O-CG 3.29Å; L551-L555 WeakPolarHBondContact O-CG 3Å; L551-L555 PolarHBondContact O-N 2.91Å; T553-L555 PolarHBondContact O-N 2.85Å; L555-F570 HydrophobicContact CD1-CE1 3.89Å; L555-F570 HydrophobicContact CD1-CE2 3.94Å; L555-F570 HydrophobicContact CD1-CZ 3.49Å; L555-F570 VanDerWaalsContact CD1-CZ 3.49Å; L555-F570 HydrophobicContact CD2-CD2 3.9Å; L555-F570 HydrophobicContact CD2-CE2 3.44Å; L555-F570 VanDerWaalsContact CD2-CE2 3.44Å; L555-F570 HydrophobicContact CD2-CZ 3.92Å; L555-F570 HydrophobicContact CG-CE2 4.33Å; L555-F570 HydrophobicContact CG-CZ 4.34Å; L555-S586 WeakPolarHBondContact O-CB 3.28Å; L555-H588 PolarHBondContact O-CE1 3.22Å; L555-F627 HydrophobicContact CD2-CD2 4.4Å; L555-F627 HydrophobicContact CD2-CE2 3.49Å; L555-F627 VanDerWaalsContact CD2-CE2 3.49Å; L555-F627 HydrophobicContact CD2-CZ 4.06Å
556	D	75.2	Confident	66.4	Low	25 Å²	25	54.4 Å²	54.4	13%	0.134	29%	0.289	C	S	.	.			trans	-142.3	81.9	-171.3	-172.6	25.6	0	0	0	109.1	K535 D552 R558 C587	K535-D556 VanDerWaalsContact CE-OD2 3.29Å; K535-D556 WeakPolarHBondContact CE-OD2 3.4Å; K535-D556 IonicContact NZ-OD2 2.6Å; K535-D556 PolarHBondContact NZ-OD2 2.99Å; D552-D556 PolarHBondContact O-N 3.39Å; D556-R558 IonicContact OD1-NE 3.04Å; D556-R558 IonicContact OD1-NH2 3.63Å; D556-R558 IonicContact OD2-CZ 2.64Å; D556-R558 IonicContact OD2-NE 3.59Å; D556-R558 PolarHBondContact OD2-NE 3.14Å; D556-R558 IonicContact OD2-NH2 2.64Å; D556-R558 PolarHBondContact OD2-NH2 3.29Å; D556-C587 CarbonylContact C-O 3.59Å; D556-C587 WeakPolarHBondContact CA-O 3.28Å; D556-C587 WeakPolarHBondContact OD1-CA 3.05Å; D556-C587 WeakPolarHBondContact OD1-CB 3.47Å; D556-C587 PolarHBondContact OD1-N 3.14Å; D556-C587 PolarHBondContact OD1-SG 3.15Å
557	Y	76.3	Confident	68.3	Low	96 Å²	96	45.9 Å²	45.9	38%	0.376	25%	0.251	S	S	.	.			trans	-81.1	118.1	176.4	170.6	-94	0	0	0	109.1	D561 S562 C587 K589	Y557-D561 WeakPolarHBondContact CE1-OD1 3.41Å; Y557-D561 PolarHBondContact OH-OD1 3.25Å; Y557-S562 WeakPolarHBondContact O-CB 3.1Å; Y557-S562 PolarHBondContact O-OG 3.43Å; Y557-C587 PolarHBondContact N-O 3.23Å; Y557-C587 CarbonylContact O-C 3.59Å; Y557-C587 VanDerWaalsContact O-C 3.3Å; Y557-C587 WeakPolarHBondContact O-CB 3.35Å; Y557-K589 HydrophobicContact CD1-CB 3.71Å; Y557-K589 HydrophobicContact CE1-CB 3.76Å; Y557-K589 HydrophobicContact CE1-CD 4.24Å; Y557-K589 HydrophobicContact CE1-CG 4.27Å
558	R	77.6	Confident	69.9	Low	21 Å²	21	45.6 Å²	45.6	8%	0.079	24%	0.244	C	C	.	.			trans	-109.5	119.7	174.6	-64	-179.6	-174.7	-96.9	-3.3	109	S536 S537 L538 C539 K541 D556 C587	S536-R558 PolarHBondContact O-NE 3.14Å; S536-R558 PolarHBondContact O-NH1 3.11Å; S536-R558 PolarHBondContact O-NH2 2.75Å; S537-R558 PolarHBondContact O-NH1 2.89Å; L538-R558 PolarHBondContact O-NH1 2.03Å; C539-R558 CarbonylContact O-C 3.54Å; C539-R558 WeakPolarHBondContact O-CA 3.33Å; C539-R558 WeakPolarHBondContact O-CB 3.48Å; K541-R558 WeakPolarHBondContact O-CB 3.28Å; D556-R558 IonicContact OD1-NE 3.04Å; D556-R558 IonicContact OD1-NH2 3.63Å; D556-R558 IonicContact OD2-CZ 2.64Å; D556-R558 IonicContact OD2-NE 3.59Å; D556-R558 PolarHBondContact OD2-NE 3.14Å; D556-R558 IonicContact OD2-NH2 2.64Å; D556-R558 PolarHBondContact OD2-NH2 3.29Å; R558-C587 HydrophobicContact CG-CB 4.05Å
559	G	71.8	Confident	71.6	Confident	1 Å²	1	39 Å²	39	1%	0.01	21%	0.21	C	C	.	.	S	Bend	trans	-167.4	156.2	-178.9	0	0	0	0	0	109	C539 E540 D561 S562	C539-G559 PolarHBondContact O-N 3.34Å; E540-G559 WeakPolarHBondContact CA-O 3.36Å; E540-G559 CarbonylContact O-C 3.37Å; G559-D561 PolarHBondContact O-N 2.74Å; G559-S562 PolarHBondContact N-OG 2.79Å; G559-S562 WeakPolarHBondContact O-CA 3.34Å; G559-S562 WeakPolarHBondContact O-CB 3.45Å; G559-S562 PolarHBondContact O-N 2.94Å; G559-S562 PolarHBondContact O-OG 2.87Å
560	P	72.5	Confident	72.8	Confident	23 Å²	23	37.7 Å²	37.7	15%	0.149	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-10.1	-179.3	23.8	-38	0	0	0	115.3	E362 E540	E362-P560 WeakPolarHBondContact OE1-CB 3Å; E362-P560 WeakPolarHBondContact OE1-CG 3.22Å; E362-P560 WeakPolarHBondContact OE2-CG 3.22Å; E540-P560 WeakPolarHBondContact O-CA 2.99Å; E540-P560 WeakPolarHBondContact O-CD 3.2Å
561	D	79.9	Confident	74.1	Confident	38 Å²	38	36.9 Å²	36.9	20%	0.203	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	23.4	167.1	61.3	-15.9	0	0	0	114.1	Y557 G559 K589 F590	Y557-D561 WeakPolarHBondContact CE1-OD1 3.41Å; Y557-D561 PolarHBondContact OH-OD1 3.25Å; G559-D561 PolarHBondContact O-N 2.74Å; D561-K589 WeakPolarHBondContact O-CA 3.37Å; D561-K589 VanDerWaalsContact OD2-CD 3.24Å; D561-K589 WeakPolarHBondContact OD2-CD 3.07Å; D561-K589 WeakPolarHBondContact OD2-CE 3.12Å; D561-K589 IonicContact OD2-NZ 3.17Å; D561-K589 PolarHBondContact OD2-NZ 2.91Å; D561-F590 WeakPolarHBondContact O-CD1 3.44Å; D561-F590 PolarHBondContact O-N 3.09Å; D561-F590 VanDerWaalsContact O-N 3.09Å
562	S	86.2	Confident	75.1	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	150.4	179.9	77.8	0	0	0	0	112.7	N479 C539 Y557 G559 H588	N479-S562 PolarHBondContact ND2-O 3.07Å; C539-S562 WeakPolarHBondContact CB-OG 3.3Å; C539-S562 PolarHBondContact O-OG 3.48Å; Y557-S562 WeakPolarHBondContact O-CB 3.1Å; Y557-S562 PolarHBondContact O-OG 3.43Å; G559-S562 PolarHBondContact N-OG 2.79Å; G559-S562 WeakPolarHBondContact O-CA 3.34Å; G559-S562 WeakPolarHBondContact O-CB 3.45Å; G559-S562 PolarHBondContact O-N 2.94Å; G559-S562 PolarHBondContact O-OG 2.87Å; S562-H588 CarbonylContact C-O 3.53Å; S562-H588 WeakPolarHBondContact CA-O 3.37Å; S562-H588 WeakPolarHBondContact CB-O 3.07Å
563	A	88.4	Confident	76.1	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	157.1	173.9	0	0	0	0	0	111.4	N479 F565 C587 H588 F590 L639	N479-A563 WeakPolarHBondContact OD1-CA 3.28Å; A563-F565 HydrophobicContact CB-CE2 3.77Å; A563-F565 HydrophobicContact CB-CZ 4.08Å; A563-F565 WeakPolarHBondContact O-CD2 3.29Å; A563-F565 VanDerWaalsContact O-CE2 3.29Å; A563-F565 WeakPolarHBondContact O-CE2 3.33Å; A563-C587 WeakPolarHBondContact O-CA 3.47Å; A563-H588 PolarHBondContact N-O 3.22Å; A563-H588 PolarHBondContact O-N 3.18Å; A563-F590 HydrophobicContact CB-CD1 3.69Å; A563-F590 HydrophobicContact CB-CE1 3.72Å; A563-L639 HydrophobicContact CB-CD1 3.95Å; A563-L639 HydrophobicContact CB-CD2 3.83Å
564	C	89.7	Confident	77	Confident	17 Å²	17	35 Å²	35	12%	0.115	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	129.8	171.7	-169.5	0	0	0	0	110.6	C474 N479 C539	C474-C564 WeakPolarHBondContact CA-SG 3.41Å; C474-C564 HydrophobicContact CB-CB 3.7Å; C474-C564 WeakPolarHBondContact CB-SG 3.38Å; C474-C564 WeakPolarHBondContact SG-CB 3.26Å; C474-C564 CovalentContact SG-SG 2.04Å; C474-C564 PolarHBondContact SG-SG 3.06Å; N479-C564 PolarHBondContact OD1-N 2.85Å; C539-C564 VanDerWaalsContact SG-CA 3.56Å; C539-C564 PolarHBondContact SG-N 3.5Å; C539-C564 VanDerWaalsContact SG-N 3.39Å
565	F	90.6	Very high	77.5	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.009	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	144.7	170.5	-59.1	-96.5	0	0	0	110.7	C474 A563 P585 S586 H588 F590 L598 V600 I631 L639	C474-F565 PolarHBondContact SG-N 2.02Å; A563-F565 HydrophobicContact CB-CE2 3.77Å; A563-F565 HydrophobicContact CB-CZ 4.08Å; A563-F565 WeakPolarHBondContact O-CD2 3.29Å; A563-F565 VanDerWaalsContact O-CE2 3.29Å; A563-F565 WeakPolarHBondContact O-CE2 3.33Å; F565-P585 CarbonylContact O-C 3.48Å; F565-P585 WeakPolarHBondContact O-CA 3.27Å; F565-S586 PolarHBondContact N-O 2.82Å; F565-S586 PolarHBondContact O-N 2.98Å; F565-H588 HydrophobicContact CD2-CB 3.79Å; F565-H588 AromaticContact CD2-CD2 4Å; F565-H588 HydrophobicContact CE2-CB 3.95Å; F565-F590 HydrophobicContact CE2-CB 4.47Å; F565-F590 HydrophobicContact CZ-CB 4.05Å; F565-L598 HydrophobicContact CE1-CD2 4.31Å; F565-V600 HydrophobicContact CD1-CG2 4.25Å; F565-V600 HydrophobicContact CE1-CG2 3.75Å; F565-V600 HydrophobicContact CE2-CG2 4.46Å; F565-V600 HydrophobicContact CZ-CG2 3.88Å; F565-I631 HydrophobicContact CB-CG2 3.59Å; F565-I631 HydrophobicContact CD1-CG2 3.95Å; F565-I631 HydrophobicContact CG-CG2 3.98Å; F565-L639 HydrophobicContact CE1-CD1 3.89Å; F565-L639 HydrophobicContact CZ-CD1 3.78Å
566	M	87.6	Confident	77.6	Confident	48 Å²	48	42.4 Å²	42.4	24%	0.236	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	120.7	172.9	-72.9	-61.6	-60.6	0	0	109.6	K473 C474 P585 Q632	K473-M566 HydrophobicContact CB-SD 4.31Å; K473-M566 HydrophobicContact CG-CE 4.39Å; K473-M566 HydrophobicContact CG-SD 4.5Å; C474-M566 HydrophobicContact CB-CG 4.42Å; C474-M566 HydrophobicContact CB-SD 4.4Å; C474-M566 PolarHBondContact N-SD 2.88Å; C474-M566 VanDerWaalsContact N-SD 3.44Å; M566-P585 HydrophobicContact SD-CB 3.77Å; M566-P585 HydrophobicContact SD-CG 4.41Å; M566-Q632 HydrophobicContact CB-CB 4.16Å; M566-Q632 WeakPolarHBondContact O-CB 3.45Å; M566-Q632 PolarHBondContact O-N 2.86Å
567	G	80.1	Confident	77.2	Confident	6 Å²	6	49.2 Å²	49.2	6%	0.062	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	120.2	169.5	0	0	0	0	0	110.8	K583 K584 D630	G567-K583 CarbonylContact O-C 3.57Å; G567-K583 WeakPolarHBondContact O-CA 3.34Å; G567-K583 PolarHBondContact O-N 2.96Å; G567-K584 WeakPolarHBondContact CA-O 3.22Å; G567-K584 PolarHBondContact N-O 3.24Å; G567-K584 PolarHBondContact O-N 2.77Å; G567-D630 CarbonylContact C-O 3.55Å; G567-D630 WeakPolarHBondContact CA-O 3.34Å
568	E	74.7	Confident	76.9	Confident	66 Å²	66	48.9 Å²	48.9	31%	0.308	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-52	176.7	-76.7	-67.1	147.1	0	0	110.7	E582 K583 I615 D630 Q632	E568-E582 WeakPolarHBondContact O-CA 3.5Å; E568-K583 PolarHBondContact O-N 3.03Å; E568-I615 HydrophobicContact CG-CD1 4.03Å; E568-I615 HydrophobicContact CG-CG1 4.34Å; E568-D630 HydrophobicContact CB-CB 3.91Å; E568-D630 PolarHBondContact N-O 3.12Å; E568-Q632 HydrophobicContact CG-CB 4.31Å
569	T	76.6	Confident	76.4	Confident	30 Å²	30	54 Å²	54	18%	0.184	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	127.9	-179.8	-19.7	0	0	0	0	110.5	E582 I629 D630	T569-E582 HydrophobicContact CG2-CG 4.28Å; T569-I629 CarbonylContact O-C 3.57Å; T569-I629 VanDerWaalsContact O-CA 3.31Å; T569-I629 WeakPolarHBondContact O-CA 3.24Å; T569-D630 WeakPolarHBondContact CB-OD2 3.38Å; T569-D630 PolarHBondContact O-N 3.07Å; T569-D630 PolarHBondContact OG1-OD2 2.71Å
570	F	74	Confident	76.3	Confident	20 Å²	20	57 Å²	57	9%	0.088	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.9	169.1	164.8	-119.8	0	0	0	109	L555 Y579 T580 V581 F627 F628	L555-F570 HydrophobicContact CD1-CE1 3.89Å; L555-F570 HydrophobicContact CD1-CE2 3.94Å; L555-F570 HydrophobicContact CD1-CZ 3.49Å; L555-F570 VanDerWaalsContact CD1-CZ 3.49Å; L555-F570 HydrophobicContact CD2-CD2 3.9Å; L555-F570 HydrophobicContact CD2-CE2 3.44Å; L555-F570 VanDerWaalsContact CD2-CE2 3.44Å; L555-F570 HydrophobicContact CD2-CZ 3.92Å; L555-F570 HydrophobicContact CG-CE2 4.33Å; L555-F570 HydrophobicContact CG-CZ 4.34Å; F570-Y579 AromaticContact CD1-CD1 3.88Å; F570-Y579 HydrophobicContact CD1-CD1 3.88Å; F570-Y579 AromaticContact CD1-CE1 3.99Å; F570-Y579 HydrophobicContact CD1-CE1 3.99Å; F570-Y579 AromaticContact CE1-CD1 3.3Å; F570-Y579 HydrophobicContact CE1-CD1 3.3Å; F570-Y579 AromaticContact CE1-CE1 3.53Å; F570-Y579 HydrophobicContact CE1-CE1 3.53Å; F570-Y579 HydrophobicContact CZ-CD1 4.25Å; F570-T580 CarbonylContact O-C 3.5Å; F570-T580 WeakPolarHBondContact O-CA 3.11Å; F570-V581 HydrophobicContact CB-CB 4.27Å; F570-V581 HydrophobicContact CD1-CB 3.9Å; F570-V581 HydrophobicContact CD1-CG2 3.91Å; F570-V581 PolarHBondContact N-O 3.31Å; F570-V581 PolarHBondContact O-N 3.2Å; F570-F627 AromaticContact CD2-CD2 3.88Å; F570-F627 HydrophobicContact CD2-CD2 3.88Å; F570-F627 AromaticContact CD2-CE2 3.4Å; F570-F627 HydrophobicContact CD2-CE2 3.4Å; F570-F627 VanDerWaalsContact CD2-CE2 3.4Å; F570-F627 HydrophobicContact CD2-CZ 4.48Å; F570-F627 AromaticContact CE2-CD2 3.46Å; F570-F627 HydrophobicContact CE2-CD2 3.46Å; F570-F627 VanDerWaalsContact CE2-CD2 3.46Å; F570-F627 AromaticContact CE2-CE2 3.29Å; F570-F627 HydrophobicContact CE2-CE2 3.29Å; F570-F628 WeakPolarHBondContact CA-O 3.44Å
571	K	76.9	Confident	76.1	Confident	85 Å²	85	57.3 Å²	57.3	37%	0.37	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	121.9	173.4	-62.5	178.7	179.2	168.2	0	110.6	F573 Y579 T580 F628	K571-F573 HydrophobicContact CB-CD2 4.36Å; K571-F573 HydrophobicContact CB-CE2 3.55Å; K571-F573 HydrophobicContact CB-CZ 3.99Å; K571-F573 HydrophobicContact CD-CE2 4.34Å; K571-F573 HydrophobicContact CD-CZ 4.12Å; K571-Y579 WeakPolarHBondContact CA-O 3.37Å; K571-T580 HydrophobicContact CG-CG2 3.98Å; K571-F628 HydrophobicContact CB-CB 4.33Å; K571-F628 PolarHBondContact N-O 3.16Å; K571-F628 PolarHBondContact O-N 3.37Å
572	Y	70.9	Confident	75.7	Confident	37 Å²	37	62 Å²	62	15%	0.145	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.2	171.3	177.2	-110.7	0	0	0	110.1	L551 N574 T578 Y579 L622	L551-Y572 HydrophobicContact CD1-CD2 4.44Å; Y572-N574 HydrophobicContact CE1-CB 3.72Å; Y572-T578 WeakPolarHBondContact O-CA 3.32Å; Y572-Y579 PolarHBondContact N-O 2.69Å; Y572-Y579 PolarHBondContact O-N 2.58Å; Y572-L622 HydrophobicContact CD2-CD1 4.18Å; Y572-L622 HydrophobicContact CE2-CD1 3.78Å
573	F	73.8	Confident	75.3	Confident	77 Å²	77	69 Å²	69	34%	0.338	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	115.4	179.3	-59.1	-91.2	0	0	0	109.7	K571 T578 G625 Y626 F628	K571-F573 HydrophobicContact CB-CD2 4.36Å; K571-F573 HydrophobicContact CB-CE2 3.55Å; K571-F573 HydrophobicContact CB-CZ 3.99Å; K571-F573 HydrophobicContact CD-CE2 4.34Å; K571-F573 HydrophobicContact CD-CZ 4.12Å; F573-T578 HydrophobicContact CD1-CG2 3.67Å; F573-T578 HydrophobicContact CE1-CG2 3.46Å; F573-T578 VanDerWaalsContact CE1-CG2 3.46Å; F573-T578 HydrophobicContact CZ-CG2 4.19Å; F573-G625 CarbonylContact O-C 3.4Å; F573-G625 WeakPolarHBondContact O-CA 3.26Å; F573-Y626 PolarHBondContact N-O 2.87Å; F573-Y626 PolarHBondContact O-N 2.91Å; F573-F628 AromaticContact CD2-CD2 3.85Å; F573-F628 HydrophobicContact CD2-CD2 3.85Å; F573-F628 AromaticContact CD2-CE2 3.76Å; F573-F628 HydrophobicContact CD2-CE2 3.76Å; F573-F628 AromaticContact CE2-CD2 3.65Å; F573-F628 HydrophobicContact CE2-CD2 3.65Å; F573-F628 AromaticContact CE2-CE2 3.74Å; F573-F628 HydrophobicContact CE2-CE2 3.74Å
574	N	68.8	Low	75	Confident	49 Å²	49	74.1 Å²	74.1	26%	0.262	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	163.8	169.5	149.7	-65.5	0	0	0	108.9	Y572 S576 K577 D624	Y572-N574 HydrophobicContact CE1-CB 3.72Å; N574-S576 PolarHBondContact O-N 2.95Å; N574-S576 WeakPolarHBondContact OD1-CA 3.5Å; N574-S576 PolarHBondContact OD1-N 2.88Å; N574-S576 PolarHBondContact OD1-OG 2.04Å; N574-K577 PolarHBondContact N-O 2.66Å; N574-K577 PolarHBondContact O-N 2.82Å; N574-K577 PolarHBondContact OD1-N 2.89Å; N574-D624 WeakPolarHBondContact CB-O 3.35Å; N574-D624 PolarHBondContact ND2-O 2.96Å
575	V	69	Low	74.9	Confident	148 Å²	148	73.5 Å²	73.5	90%	0.897	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-22.9	-179.1	-155.7	0	0	0	0	114.3
576	S	69.1	Low	74.7	Confident	102 Å²	102	74 Å²	74	71%	0.713	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.3	-16.3	-173.1	26	0	0	0	0	115.6	N574	N574-S576 PolarHBondContact O-N 2.95Å; N574-S576 WeakPolarHBondContact OD1-CA 3.5Å; N574-S576 PolarHBondContact OD1-N 2.88Å; N574-S576 PolarHBondContact OD1-OG 2.04Å
577	K	66.1	Low	74.7	Confident	167 Å²	167	71.8 Å²	71.8	73%	0.726	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.5	143.6	-177.4	-70.4	-174.7	-179.3	175.5	0	112.5	N574	N574-K577 PolarHBondContact N-O 2.66Å; N574-K577 PolarHBondContact O-N 2.82Å; N574-K577 PolarHBondContact OD1-N 2.89Å
578	T	70.7	Confident	75.1	Confident	90 Å²	90	71.7 Å²	71.7	55%	0.552	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.7	163.2	-55.4	0	0	0	0	108.2	Y572 F573	Y572-T578 WeakPolarHBondContact O-CA 3.32Å; F573-T578 HydrophobicContact CD1-CG2 3.67Å; F573-T578 HydrophobicContact CE1-CG2 3.46Å; F573-T578 VanDerWaalsContact CE1-CG2 3.46Å; F573-T578 HydrophobicContact CZ-CG2 4.19Å
579	Y	67.4	Low	75.7	Confident	127 Å²	127	72.2 Å²	72.2	50%	0.498	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	130	173.7	-173	-96.7	0	0	0	108.1	F570 K571 Y572 V581	F570-Y579 AromaticContact CD1-CD1 3.88Å; F570-Y579 HydrophobicContact CD1-CD1 3.88Å; F570-Y579 AromaticContact CD1-CE1 3.99Å; F570-Y579 HydrophobicContact CD1-CE1 3.99Å; F570-Y579 AromaticContact CE1-CD1 3.3Å; F570-Y579 HydrophobicContact CE1-CD1 3.3Å; F570-Y579 AromaticContact CE1-CE1 3.53Å; F570-Y579 HydrophobicContact CE1-CE1 3.53Å; F570-Y579 HydrophobicContact CZ-CD1 4.25Å; K571-Y579 WeakPolarHBondContact CA-O 3.37Å; Y572-Y579 PolarHBondContact N-O 2.69Å; Y572-Y579 PolarHBondContact O-N 2.58Å; Y579-V581 HydrophobicContact CD1-CG2 3.93Å; Y579-V581 HydrophobicContact CE1-CB 4.48Å; Y579-V581 HydrophobicContact CE1-CG2 3.13Å
580	T	69.7	Low	76.4	Confident	64 Å²	64	73 Å²	73	39%	0.393	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	128.5	179.7	-58.4	0	0	0	0	109.1	F570 K571 E582	F570-T580 CarbonylContact O-C 3.5Å; F570-T580 WeakPolarHBondContact O-CA 3.11Å; K571-T580 HydrophobicContact CG-CG2 3.98Å; T580-E582 HydrophobicContact CG2-CG 4.39Å
581	V	68	Low	77.1	Confident	31 Å²	31	76.1 Å²	76.1	19%	0.188	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133	173	-180	0	0	0	0	107.2	F570 Y579 K584	F570-V581 HydrophobicContact CB-CB 4.27Å; F570-V581 HydrophobicContact CD1-CB 3.9Å; F570-V581 HydrophobicContact CD1-CG2 3.91Å; F570-V581 PolarHBondContact N-O 3.31Å; F570-V581 PolarHBondContact O-N 3.2Å; Y579-V581 HydrophobicContact CD1-CG2 3.93Å; Y579-V581 HydrophobicContact CE1-CB 4.48Å; Y579-V581 HydrophobicContact CE1-CG2 3.13Å; V581-K584 HydrophobicContact CG1-CB 3.7Å; V581-K584 HydrophobicContact CG1-CD 3.87Å; V581-K584 HydrophobicContact CG1-CG 4.4Å
582	E	72.3	Confident	77.8	Confident	136 Å²	136	74.3 Å²	74.3	64%	0.636	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	144.1	178.2	-62.7	-175.8	171.5	0	0	108.7	E568 T569 T580 K584	E568-E582 WeakPolarHBondContact O-CA 3.5Å; T569-E582 HydrophobicContact CG2-CG 4.28Å; T580-E582 HydrophobicContact CG2-CG 4.39Å; E582-K584 PolarHBondContact O-N 2.69Å
583	K	76.6	Confident	78.4	Confident	148 Å²	148	74.1 Å²	74.1	64%	0.643	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.1	52.4	171.6	-58.1	-173.7	178.2	-175	0	114.8	G567 E568	G567-K583 CarbonylContact O-C 3.57Å; G567-K583 WeakPolarHBondContact O-CA 3.34Å; G567-K583 PolarHBondContact O-N 2.96Å; E568-K583 PolarHBondContact O-N 3.03Å
584	K	82.2	Confident	78.9	Confident	107 Å²	107	76 Å²	76	47%	0.465	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	128.3	178	-170.3	176.4	177.5	-175.5	0	110.5	G567 V581 E582	G567-K584 WeakPolarHBondContact CA-O 3.22Å; G567-K584 PolarHBondContact N-O 3.24Å; G567-K584 PolarHBondContact O-N 2.77Å; V581-K584 HydrophobicContact CG1-CB 3.7Å; V581-K584 HydrophobicContact CG1-CD 3.87Å; V581-K584 HydrophobicContact CG1-CG 4.4Å; E582-K584 PolarHBondContact O-N 2.69Å
585	P	88	Confident	79.7	Confident	4 Å²	4	80.5 Å²	80.5	3%	0.026	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	149.7	172	29.7	-35.3	0	0	0	111.5	Q472 I481 F565 M566	Q472-P585 HydrophobicContact CB-CG 3.6Å; Q472-P585 VanDerWaalsContact O-CD 3.27Å; Q472-P585 WeakPolarHBondContact O-CD 3.34Å; I481-P585 HydrophobicContact CD1-CB 4.32Å; I481-P585 HydrophobicContact CD1-CG 4.37Å; I481-P585 HydrophobicContact CG1-CB 4.19Å; I481-P585 HydrophobicContact CG1-CG 4.38Å; I481-P585 HydrophobicContact CG2-CB 4.23Å; I481-P585 HydrophobicContact CG2-CG 3.55Å; F565-P585 CarbonylContact O-C 3.48Å; F565-P585 WeakPolarHBondContact O-CA 3.27Å; M566-P585 HydrophobicContact SD-CB 3.77Å; M566-P585 HydrophobicContact SD-CG 4.41Å
586	S	87.3	Confident	80.4	Confident	13 Å²	13	74.3 Å²	74.3	9%	0.091	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	147.8	175.2	43.2	0	0	0	0	111	L555 F565 H588	L555-S586 WeakPolarHBondContact O-CB 3.28Å; F565-S586 PolarHBondContact N-O 2.82Å; F565-S586 PolarHBondContact O-N 2.98Å; S586-H588 PolarHBondContact OG-NE2 2.83Å
587	C	87	Confident	81.4	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	131.4	173.4	-56.1	0	0	0	0	109.8	C539 D556 Y557 R558 A563	C539-C587 WeakPolarHBondContact CA-SG 3.33Å; C539-C587 HydrophobicContact CB-CB 3.6Å; C539-C587 WeakPolarHBondContact CB-SG 3.04Å; C539-C587 WeakPolarHBondContact SG-CB 3.24Å; C539-C587 CovalentContact SG-SG 2.04Å; C539-C587 PolarHBondContact SG-SG 3.34Å; D556-C587 CarbonylContact C-O 3.59Å; D556-C587 WeakPolarHBondContact CA-O 3.28Å; D556-C587 WeakPolarHBondContact OD1-CA 3.05Å; D556-C587 WeakPolarHBondContact OD1-CB 3.47Å; D556-C587 PolarHBondContact OD1-N 3.14Å; D556-C587 PolarHBondContact OD1-SG 3.15Å; Y557-C587 PolarHBondContact N-O 3.23Å; Y557-C587 CarbonylContact O-C 3.59Å; Y557-C587 VanDerWaalsContact O-C 3.3Å; Y557-C587 WeakPolarHBondContact O-CB 3.35Å; R558-C587 HydrophobicContact CG-CB 4.05Å; A563-C587 WeakPolarHBondContact O-CA 3.47Å
588	H	87.9	Confident	82.6	Confident	4 Å²	4	61.5 Å²	61.5	2%	0.019	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	145.3	175.7	-64.1	-70.5	0	0	0	110.8	L555 S562 A563 F565 S586 V600	L555-H588 PolarHBondContact O-CE1 3.22Å; S562-H588 CarbonylContact C-O 3.53Å; S562-H588 WeakPolarHBondContact CA-O 3.37Å; S562-H588 WeakPolarHBondContact CB-O 3.07Å; A563-H588 PolarHBondContact N-O 3.22Å; A563-H588 PolarHBondContact O-N 3.18Å; F565-H588 HydrophobicContact CD2-CB 3.79Å; F565-H588 AromaticContact CD2-CD2 4Å; F565-H588 HydrophobicContact CE2-CB 3.95Å; S586-H588 PolarHBondContact OG-NE2 2.83Å; H588-V600 HydrophobicContact CB-CG1 3.85Å
589	K	88.2	Confident	83.7	Confident	78 Å²	78	58.6 Å²	58.6	34%	0.339	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	139.9	169.8	-176.6	166.2	173	142.5	0	109.5	Y557 D561 I601	Y557-K589 HydrophobicContact CD1-CB 3.71Å; Y557-K589 HydrophobicContact CE1-CB 3.76Å; Y557-K589 HydrophobicContact CE1-CD 4.24Å; Y557-K589 HydrophobicContact CE1-CG 4.27Å; D561-K589 WeakPolarHBondContact O-CA 3.37Å; D561-K589 VanDerWaalsContact OD2-CD 3.24Å; D561-K589 WeakPolarHBondContact OD2-CD 3.07Å; D561-K589 WeakPolarHBondContact OD2-CE 3.12Å; D561-K589 IonicContact OD2-NZ 3.17Å; D561-K589 PolarHBondContact OD2-NZ 2.91Å; K589-I601 HydrophobicContact CB-CB 4Å; K589-I601 HydrophobicContact CD-CB 4.37Å; K589-I601 HydrophobicContact CD-CG2 4.29Å; K589-I601 HydrophobicContact CG-CB 3.94Å; K589-I601 HydrophobicContact CG-CG1 4.14Å; K589-I601 HydrophobicContact CG-CG2 4.41Å; K589-I601 PolarHBondContact O-N 3.1Å
590	F	90.1	Very high	84.9	Confident	45 Å²	45	52.5 Å²	52.5	20%	0.197	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	162.7	176.4	75.7	-77.7	0	0	0	110.8	D561 A563 F565 L598 E599 L639	D561-F590 WeakPolarHBondContact O-CD1 3.44Å; D561-F590 PolarHBondContact O-N 3.09Å; D561-F590 VanDerWaalsContact O-N 3.09Å; A563-F590 HydrophobicContact CB-CD1 3.69Å; A563-F590 HydrophobicContact CB-CE1 3.72Å; F565-F590 HydrophobicContact CE2-CB 4.47Å; F565-F590 HydrophobicContact CZ-CB 4.05Å; F590-L598 HydrophobicContact CB-CD1 4Å; F590-L598 HydrophobicContact CD2-CD1 3.62Å; F590-L598 HydrophobicContact CG-CD1 4.16Å; F590-E599 CarbonylContact C-O 3.56Å; F590-E599 VanDerWaalsContact CA-O 3.23Å; F590-E599 WeakPolarHBondContact CA-O 3.42Å; F590-L639 HydrophobicContact CE2-CB 4.14Å
591	Q	90.3	Very high	85.7	Confident	86 Å²	86	51 Å²	51	40%	0.402	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	156.3	168.8	67.8	-178	18.1	0	0	110.1	E599 I601	Q591-E599 HydrophobicContact CG-CB 3.83Å; Q591-E599 PolarHBondContact N-O 2.78Å; Q591-E599 PolarHBondContact NE2-OE2 2.85Å; Q591-E599 PolarHBondContact O-N 3.3Å; Q591-I601 HydrophobicContact CG-CD1 4.02Å; Q591-I601 HydrophobicContact CG-CG1 4.38Å
592	C	89.8	Confident	86.2	Confident	48 Å²	48	50 Å²	50	32%	0.324	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	135.9	178.3	-63.5	0	0	0	0	109.8	G597 C640 N643	C592-G597 WeakPolarHBondContact CA-O 3.24Å; C592-C640 VanDerWaalsContact CA-SG 3.58Å; C592-C640 HydrophobicContact CB-CB 3.62Å; C592-C640 WeakPolarHBondContact CB-SG 2.89Å; C592-C640 WeakPolarHBondContact SG-CA 3.27Å; C592-C640 WeakPolarHBondContact SG-CB 2.94Å; C592-C640 CovalentContact SG-SG 2.03Å; C592-C640 PolarHBondContact SG-SG 2.88Å; C592-N643 HydrophobicContact CB-CB 4.22Å
593	S	84.8	Confident	86.3	Confident	32 Å²	32	48.1 Å²	48.1	22%	0.224	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	134.9	-178.7	162.1	0	0	0	0	109.2	N595 S596 G597	S593-N595 PolarHBondContact O-N 3.28Å; S593-N595 VanDerWaalsContact O-N 3.11Å; S593-N595 PolarHBondContact OG-N 2.64Å; S593-S596 WeakPolarHBondContact CB-OG 3.35Å; S593-S596 PolarHBondContact O-N 2.83Å; S593-S596 PolarHBondContact OG-N 3.26Å; S593-S596 PolarHBondContact OG-OG 3.22Å; S593-G597 PolarHBondContact N-O 3.17Å; S593-G597 WeakPolarHBondContact O-CA 3.22Å; S593-G597 PolarHBondContact O-N 3Å
594	I	83.5	Confident	86.4	Confident	116 Å²	116	44.2 Å²	44.2	60%	0.595	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-29.7	176.6	-67.1	168.3	0	0	0	111.6
595	N	85.2	Confident	86.6	Confident	144 Å²	144	44.6 Å²	44.6	77%	0.77	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-40.8	-176.5	-65.6	-29.8	0	0	0	113.1	S593 P645	S593-N595 PolarHBondContact O-N 3.28Å; S593-N595 VanDerWaalsContact O-N 3.11Å; S593-N595 PolarHBondContact OG-N 2.64Å; N595-P645 WeakPolarHBondContact O-CG 3.42Å
596	S	84	Confident	86.6	Confident	18 Å²	18	46.6 Å²	46.6	13%	0.126	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-15.1	-174.1	21.2	0	0	0	0	113.4	S593 E599 Q608	S593-S596 WeakPolarHBondContact CB-OG 3.35Å; S593-S596 PolarHBondContact O-N 2.83Å; S593-S596 PolarHBondContact OG-N 3.26Å; S593-S596 PolarHBondContact OG-OG 3.22Å; S596-E599 WeakPolarHBondContact CB-OE1 3.33Å; S596-E599 VanDerWaalsContact OG-CD 3.3Å; S596-E599 PolarHBondContact OG-OE1 3Å; S596-E599 PolarHBondContact OG-OE2 2.88Å; S596-Q608 VanDerWaalsContact O-CG 3.29Å; S596-Q608 WeakPolarHBondContact O-CG 3.42Å; S596-Q608 PolarHBondContact O-NE2 3.5Å
597	G	90.3	Very high	86.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74.7	-133	-172.9	0	0	0	0	0	111.4	C592 S593 C636	C592-G597 WeakPolarHBondContact CA-O 3.24Å; S593-G597 PolarHBondContact N-O 3.17Å; S593-G597 WeakPolarHBondContact O-CA 3.22Å; S593-G597 PolarHBondContact O-N 3Å; G597-C636 VanDerWaalsContact CA-SG 3.55Å
598	L	92.3	Very high	87.2	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	127.7	178	175	63.7	0	0	0	110.4	F565 F590 C609 P634 C636 L639	F565-L598 HydrophobicContact CE1-CD2 4.31Å; F590-L598 HydrophobicContact CB-CD1 4Å; F590-L598 HydrophobicContact CD2-CD1 3.62Å; F590-L598 HydrophobicContact CG-CD1 4.16Å; L598-C609 HydrophobicContact CB-CB 4.05Å; L598-C609 HydrophobicContact CD2-CB 4.05Å; L598-C609 HydrophobicContact CG-CB 4.02Å; L598-C609 WeakPolarHBondContact O-CB 3.43Å; L598-C609 PolarHBondContact O-N 2.85Å; L598-P634 HydrophobicContact CD2-CG 4.08Å; L598-C636 HydrophobicContact CB-CB 4.42Å; L598-L639 HydrophobicContact CD1-CB 4.18Å; L598-L639 HydrophobicContact CD1-CD1 3.96Å; L598-L639 HydrophobicContact CD2-CD1 3.91Å
599	E	93.7	Very high	87.4	Confident	28 Å²	28	53.7 Å²	53.7	13%	0.131	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	127.1	173.6	-64.9	174.6	136.7	0	0	110.1	F590 Q591 S596 A606 F607 Q608	F590-E599 CarbonylContact C-O 3.56Å; F590-E599 VanDerWaalsContact CA-O 3.23Å; F590-E599 WeakPolarHBondContact CA-O 3.42Å; Q591-E599 HydrophobicContact CG-CB 3.83Å; Q591-E599 PolarHBondContact N-O 2.78Å; Q591-E599 PolarHBondContact NE2-OE2 2.85Å; Q591-E599 PolarHBondContact O-N 3.3Å; S596-E599 WeakPolarHBondContact CB-OE1 3.33Å; S596-E599 VanDerWaalsContact OG-CD 3.3Å; S596-E599 PolarHBondContact OG-OE1 3Å; S596-E599 PolarHBondContact OG-OE2 2.88Å; E599-A606 HydrophobicContact CB-CB 4.22Å; E599-F607 CarbonylContact C-O 3.6Å; E599-F607 WeakPolarHBondContact CA-O 3.26Å; E599-Q608 HydrophobicContact CG-CB 4.35Å; E599-Q608 HydrophobicContact CG-CG 4.45Å
600	V	91.2	Very high	87.7	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	126.6	171.9	-179.6	0	0	0	0	108.2	F565 H588 F607 I616 I631	F565-V600 HydrophobicContact CD1-CG2 4.25Å; F565-V600 HydrophobicContact CE1-CG2 3.75Å; F565-V600 HydrophobicContact CE2-CG2 4.46Å; F565-V600 HydrophobicContact CZ-CG2 3.88Å; H588-V600 HydrophobicContact CB-CG1 3.85Å; V600-F607 PolarHBondContact N-O 3.47Å; V600-F607 PolarHBondContact O-N 2.76Å; V600-I616 HydrophobicContact CB-CD1 4Å; V600-I616 HydrophobicContact CG2-CD1 3.9Å; V600-I631 HydrophobicContact CG1-CD1 4.08Å
601	I	86.9	Confident	87.6	Confident	31 Å²	31	52.9 Å²	52.9	16%	0.159	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	115.3	176.9	-57.6	-69	0	0	0	108.4	K589 Q591 H605 A606	K589-I601 HydrophobicContact CB-CB 4Å; K589-I601 HydrophobicContact CD-CB 4.37Å; K589-I601 HydrophobicContact CD-CG2 4.29Å; K589-I601 HydrophobicContact CG-CB 3.94Å; K589-I601 HydrophobicContact CG-CG1 4.14Å; K589-I601 HydrophobicContact CG-CG2 4.41Å; K589-I601 PolarHBondContact O-N 3.1Å; Q591-I601 HydrophobicContact CG-CD1 4.02Å; Q591-I601 HydrophobicContact CG-CG1 4.38Å; I601-H605 WeakPolarHBondContact CA-O 3.26Å; I601-A606 HydrophobicContact CD1-CB 3.86Å
602	Y	79.2	Confident	87.6	Confident	11 Å²	11	55.2 Å²	55.2	4%	0.043	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	120	175.1	-160.7	-90.7	0	0	0	109.4	F554 G604 H605 I618 D620 F627	F554-Y602 WeakPolarHBondContact O-CE2 3.32Å; F554-Y602 PolarHBondContact O-OH 3.02Å; Y602-G604 PolarHBondContact O-N 2.93Å; Y602-H605 PolarHBondContact N-O 2.86Å; Y602-H605 WeakPolarHBondContact O-CB 3.2Å; Y602-H605 PolarHBondContact O-N 2.88Å; Y602-I618 HydrophobicContact CD1-CG2 3.8Å; Y602-I618 HydrophobicContact CE1-CG2 4.39Å; Y602-I618 HydrophobicContact CG-CD1 4.35Å; Y602-I618 HydrophobicContact CG-CG2 4.07Å; Y602-D620 HydrophobicContact CE1-CB 4.49Å; Y602-F627 HydrophobicContact CD1-CE1 4.18Å; Y602-F627 AromaticContact CE1-CD1 3.82Å; Y602-F627 HydrophobicContact CE1-CD1 3.82Å; Y602-F627 AromaticContact CE1-CE1 3.31Å; Y602-F627 HydrophobicContact CE1-CE1 3.31Å; Y602-F627 HydrophobicContact CE1-CZ 4Å; Y602-F627 HydrophobicContact CE2-CE1 4.07Å; Y602-F627 AromaticContact CE2-CZ 4Å; Y602-F627 HydrophobicContact CE2-CZ 4Å; Y602-F627 AromaticContact CZ-CE1 3.27Å; Y602-F627 AromaticContact CZ-CZ 3.43Å; Y602-F627 VanDerWaalsContact CZ-CZ 3.43Å; Y602-F627 VanDerWaalsContact OH-CE1 3.29Å; Y602-F627 WeakPolarHBondContact OH-CE1 3.46Å; Y602-F627 WeakPolarHBondContact OH-CZ 2.84Å
603	H	74.7	Confident	87.6	Confident	96 Å²	96	53.9 Å²	53.9	44%	0.444	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	32.7	179.6	-118.1	-156.6	0	0	0	114.5	F554 H605 D620	F554-H603 AromaticContact CD1-NE2 3.68Å; F554-H603 AromaticContact CE1-NE2 3.4Å; F554-H603 WeakPolarHBondContact CE1-NE2 3.42Å; H603-H605 PolarHBondContact O-N 3.32Å; H603-D620 WeakPolarHBondContact CB-OD2 3.41Å; H603-D620 IonicContact CE1-OD2 2.8Å; H603-D620 IonicContact CG-OD2 3.72Å; H603-D620 IonicContact ND1-OD2 2.81Å; H603-D620 PolarHBondContact ND1-OD2 2.89Å
604	G	78.5	Confident	87.9	Confident	67 Å²	67	53.2 Å²	53.2	69%	0.691	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	-1	-177.1	0	0	0	0	0	114.4	Y602	Y602-G604 PolarHBondContact O-N 2.93Å
605	H	85.2	Confident	88.3	Confident	114 Å²	114	51.2 Å²	51.2	53%	0.528	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	137.8	171.8	-58.2	136.4	0	0	0	110.5	I601 Y602 H603 F607	I601-H605 WeakPolarHBondContact CA-O 3.26Å; Y602-H605 PolarHBondContact N-O 2.86Å; Y602-H605 WeakPolarHBondContact O-CB 3.2Å; Y602-H605 PolarHBondContact O-N 2.88Å; H603-H605 PolarHBondContact O-N 3.32Å; H605-F607 HydrophobicContact CB-CD2 4.48Å; H605-F607 HydrophobicContact CB-CE2 3.75Å; H605-F607 HydrophobicContact CB-CZ 4.21Å
606	A	89.2	Confident	88.6	Confident	47 Å²	47	45 Å²	45	39%	0.388	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	127.5	174.6	0	0	0	0	0	110.2	E599 I601	E599-A606 HydrophobicContact CB-CB 4.22Å; I601-A606 HydrophobicContact CD1-CB 3.86Å
607	F	91.8	Very high	89	Confident	52 Å²	52	50.5 Å²	50.5	23%	0.228	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	114.6	174.5	-66	-91.9	0	0	0	109.1	E599 V600 H605 C609 I616 I618	E599-F607 CarbonylContact C-O 3.6Å; E599-F607 WeakPolarHBondContact CA-O 3.26Å; V600-F607 PolarHBondContact N-O 3.47Å; V600-F607 PolarHBondContact O-N 2.76Å; H605-F607 HydrophobicContact CB-CD2 4.48Å; H605-F607 HydrophobicContact CB-CE2 3.75Å; H605-F607 HydrophobicContact CB-CZ 4.21Å; F607-C609 PolarHBondContact O-N 2.79Å; F607-I616 HydrophobicContact CB-CD1 3.99Å; F607-I618 HydrophobicContact CB-CD1 4.33Å; F607-I618 HydrophobicContact CB-CG1 4.27Å; F607-I618 HydrophobicContact CD1-CG1 3.81Å; F607-I618 HydrophobicContact CD2-CD1 3.99Å; F607-I618 HydrophobicContact CD2-CG1 4.04Å; F607-I618 HydrophobicContact CD2-CG2 4.47Å; F607-I618 HydrophobicContact CE1-CB 4.4Å; F607-I618 HydrophobicContact CE1-CG1 4.11Å; F607-I618 HydrophobicContact CE1-CG2 4.15Å; F607-I618 HydrophobicContact CE2-CD1 4.48Å; F607-I618 HydrophobicContact CE2-CG1 4.34Å; F607-I618 HydrophobicContact CE2-CG2 3.95Å; F607-I618 HydrophobicContact CG-CD1 4.05Å; F607-I618 HydrophobicContact CG-CG1 3.77Å; F607-I618 HydrophobicContact CZ-CB 4.49Å; F607-I618 HydrophobicContact CZ-CG1 4.37Å; F607-I618 HydrophobicContact CZ-CG2 3.77Å
608	Q	93.6	Very high	88.8	Confident	111 Å²	111	50.7 Å²	50.7	52%	0.519	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	124.2	-176.1	-169.3	-178.4	-0.8	0	0	111.7	S596 E599 I616	S596-Q608 VanDerWaalsContact O-CG 3.29Å; S596-Q608 WeakPolarHBondContact O-CG 3.42Å; S596-Q608 PolarHBondContact O-NE2 3.5Å; E599-Q608 HydrophobicContact CG-CB 4.35Å; E599-Q608 HydrophobicContact CG-CG 4.45Å; Q608-I616 WeakPolarHBondContact O-CG2 3.26Å
609	C	93.7	Very high	88.4	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.014	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-77.5	145.3	170.1	-72.2	0	0	0	0	111	L598 F607 C633	L598-C609 HydrophobicContact CB-CB 4.05Å; L598-C609 HydrophobicContact CD2-CB 4.05Å; L598-C609 HydrophobicContact CG-CB 4.02Å; L598-C609 WeakPolarHBondContact O-CB 3.43Å; L598-C609 PolarHBondContact O-N 2.85Å; F607-C609 PolarHBondContact O-N 2.79Å; C609-C633 HydrophobicContact CB-CB 3.45Å; C609-C633 VanDerWaalsContact CB-CB 3.45Å; C609-C633 WeakPolarHBondContact CB-SG 3.39Å; C609-C633 WeakPolarHBondContact SG-CB 3.02Å; C609-C633 CovalentContact SG-SG 2.03Å; C609-C633 PolarHBondContact SG-SG 2.83Å
610	P	93.7	Very high	87.5	Confident	56 Å²	56	59.4 Å²	59.4	36%	0.364	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-58.6	139.7	166.8	-20.6	32.1	0	0	0	111	D612 G613	P610-D612 VanDerWaalsContact C-N 3.31Å; P610-D612 PolarHBondContact O-N 2.75Å; P610-G613 PolarHBondContact O-N 3.27Å
611	V	89	Confident	86.6	Confident	51 Å²	51	65.7 Å²	65.7	31%	0.309	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-41.1	-176.3	179.6	0	0	0	0	111.8	G613 C636 P645	V611-G613 PolarHBondContact O-N 2.81Å; V611-C636 HydrophobicContact CG1-CB 4.2Å; V611-C636 WeakPolarHBondContact O-CB 3.36Å; V611-C636 PolarHBondContact O-N 3.34Å; V611-P645 HydrophobicContact CG2-CB 4.21Å; V611-P645 HydrophobicContact CG2-CG 4.07Å
612	D	89.2	Confident	85.8	Confident	134 Å²	134	65.3 Å²	65.3	72%	0.717	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	7.3	178.1	-61.1	-42	0	0	0	113.6	P610 M635	P610-D612 VanDerWaalsContact C-N 3.31Å; P610-D612 PolarHBondContact O-N 2.75Å; D612-M635 WeakPolarHBondContact O-CG 3.36Å
613	G	89.7	Confident	85.2	Confident	21 Å²	21	74.7 Å²	74.7	22%	0.216	39%	0.39	C	S	.	.			trans	79.7	164.9	-170.2	0	0	0	0	0	112.6	P610 V611 C633 P634	P610-G613 PolarHBondContact O-N 3.27Å; V611-G613 PolarHBondContact O-N 2.81Å; G613-C633 WeakPolarHBondContact CA-O 3.18Å; G613-P634 WeakPolarHBondContact CA-O 3.21Å
614	G	91.6	Very high	85.1	Confident	18 Å²	18	75.3 Å²	75.3	19%	0.186	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	150.2	-178.8	-176.2	0	0	0	0	0	112.5	C633	G614-C633 PolarHBondContact N-O 3.47Å; G614-C633 VanDerWaalsContact N-O 3.11Å; G614-C633 WeakPolarHBondContact O-CA 3.48Å; G614-C633 VanDerWaalsContact O-CB 3.31Å; G614-C633 WeakPolarHBondContact O-CB 3.44Å; G614-C633 PolarHBondContact O-N 2.76Å
615	I	91.6	Very high	84.8	Confident	74 Å²	74	72.8 Å²	72.8	38%	0.379	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	130.2	-177.9	-58.8	171.8	0	0	0	109.5	E568 D630 I631	E568-I615 HydrophobicContact CG-CD1 4.03Å; E568-I615 HydrophobicContact CG-CG1 4.34Å; I615-D630 HydrophobicContact CG2-CB 3.88Å; I615-I631 CarbonylContact C-O 3.5Å; I615-I631 WeakPolarHBondContact CA-O 3.5Å
616	I	92.3	Very high	84.2	Confident	14 Å²	14	73 Å²	73	7%	0.072	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	144.6	164.4	61.8	171.4	0	0	0	109.8	V600 F607 Q608 I618 D630 I631	V600-I616 HydrophobicContact CB-CD1 4Å; V600-I616 HydrophobicContact CG2-CD1 3.9Å; F607-I616 HydrophobicContact CB-CD1 3.99Å; Q608-I616 WeakPolarHBondContact O-CG2 3.26Å; I616-I618 HydrophobicContact CD1-CD1 4.05Å; I616-I618 HydrophobicContact CD1-CG1 4.34Å; I616-D630 WeakPolarHBondContact O-CA 3.42Å; I616-I631 HydrophobicContact CD1-CB 4.22Å; I616-I631 HydrophobicContact CG1-CB 3.78Å; I616-I631 HydrophobicContact CG1-CG2 4.44Å; I616-I631 PolarHBondContact N-O 2.89Å; I616-I631 PolarHBondContact O-N 3.47Å
617	H	91.8	Very high	83.7	Confident	133 Å²	133	70.8 Å²	70.8	62%	0.616	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	113.4	-179.8	-55.4	-69	0	0	0	109.2	D630	H617-D630 IonicContact CE1-OD1 3.65Å; H617-D630 IonicContact CG-OD1 3.33Å; H617-D630 IonicContact ND1-OD1 3.59Å; H617-D630 PolarHBondContact ND1-OD1 2.83Å
618	I	86.7	Confident	83.3	Confident	3 Å²	3	71.2 Å²	71.2	2%	0.015	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.2	178.5	-60.2	172.4	0	0	0	108	Y602 F607 I616 F627 F628 I629 I631	Y602-I618 HydrophobicContact CD1-CG2 3.8Å; Y602-I618 HydrophobicContact CE1-CG2 4.39Å; Y602-I618 HydrophobicContact CG-CD1 4.35Å; Y602-I618 HydrophobicContact CG-CG2 4.07Å; F607-I618 HydrophobicContact CB-CD1 4.33Å; F607-I618 HydrophobicContact CB-CG1 4.27Å; F607-I618 HydrophobicContact CD1-CG1 3.81Å; F607-I618 HydrophobicContact CD2-CD1 3.99Å; F607-I618 HydrophobicContact CD2-CG1 4.04Å; F607-I618 HydrophobicContact CD2-CG2 4.47Å; F607-I618 HydrophobicContact CE1-CB 4.4Å; F607-I618 HydrophobicContact CE1-CG1 4.11Å; F607-I618 HydrophobicContact CE1-CG2 4.15Å; F607-I618 HydrophobicContact CE2-CD1 4.48Å; F607-I618 HydrophobicContact CE2-CG1 4.34Å; F607-I618 HydrophobicContact CE2-CG2 3.95Å; F607-I618 HydrophobicContact CG-CD1 4.05Å; F607-I618 HydrophobicContact CG-CG1 3.77Å; F607-I618 HydrophobicContact CZ-CB 4.49Å; F607-I618 HydrophobicContact CZ-CG1 4.37Å; F607-I618 HydrophobicContact CZ-CG2 3.77Å; I616-I618 HydrophobicContact CD1-CD1 4.05Å; I616-I618 HydrophobicContact CD1-CG1 4.34Å; I618-F627 HydrophobicContact CG2-CE1 4.16Å; I618-F628 WeakPolarHBondContact O-CA 3.4Å; I618-I629 HydrophobicContact CB-CG2 3.62Å; I618-I629 HydrophobicContact CD1-CG2 4.14Å; I618-I629 HydrophobicContact CG1-CG2 4.32Å; I618-I629 HydrophobicContact CG2-CG2 4.12Å; I618-I629 PolarHBondContact N-O 2.79Å; I618-I629 PolarHBondContact O-N 3.46Å; I618-I631 HydrophobicContact CD1-CD1 3.66Å; I618-I631 HydrophobicContact CD1-CG1 4.37Å
619	R	84	Confident	82.9	Confident	181 Å²	181	66.2 Å²	66.2	68%	0.683	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.7	173.3	-175.6	-171.2	-58.8	-168.3	-4.9	108.4	F627 F628	R619-F627 WeakPolarHBondContact CA-O 3.25Å; R619-F628 HydrophobicContact CB-CD1 4.29Å; R619-F628 HydrophobicContact CB-CE1 4.45Å; R619-F628 HydrophobicContact CG-CD1 3.92Å; R619-F628 HydrophobicContact CG-CE1 3.69Å; R619-F628 HydrophobicContact CG-CZ 4.14Å
620	D	74.6	Confident	82.6	Confident	32 Å²	32	68 Å²	68	17%	0.171	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	155.9	176.3	-154.1	-2.7	0	0	0	112	Y602 H603 F627	Y602-D620 HydrophobicContact CE1-CB 4.49Å; H603-D620 WeakPolarHBondContact CB-OD2 3.41Å; H603-D620 IonicContact CE1-OD2 2.8Å; H603-D620 IonicContact CG-OD2 3.72Å; H603-D620 IonicContact ND1-OD2 2.81Å; H603-D620 PolarHBondContact ND1-OD2 2.89Å; D620-F627 HydrophobicContact CB-CD1 4.04Å; D620-F627 PolarHBondContact N-O 3.11Å; D620-F627 PolarHBondContact O-N 2.98Å
621	Q	72.5	Confident	82.4	Confident	132 Å²	132	65.3 Å²	65.3	62%	0.617	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.2	110.3	177.3	-170.3	177.6	-17.1	0	0	109.3	Y626	Q621-Y626 HydrophobicContact CB-CD1 4.26Å; Q621-Y626 HydrophobicContact CB-CE1 4.17Å; Q621-Y626 HydrophobicContact CG-CD1 4.08Å; Q621-Y626 HydrophobicContact CG-CE1 3.73Å
622	L	68.6	Low	82.5	Confident	22 Å²	22	66 Å²	66	12%	0.115	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	163.4	174.3	-68	163.1	0	0	0	109.6	F554 Y572 D624 G625 F627	F554-L622 HydrophobicContact CD2-CD2 4.31Å; F554-L622 HydrophobicContact CE2-CD2 4.17Å; F554-L622 HydrophobicContact CZ-CD2 4.34Å; Y572-L622 HydrophobicContact CD2-CD1 4.18Å; Y572-L622 HydrophobicContact CE2-CD1 3.78Å; L622-D624 PolarHBondContact O-N 3.24Å; L622-G625 PolarHBondContact N-O 3.25Å; L622-G625 PolarHBondContact O-N 3.21Å; L622-G625 VanDerWaalsContact O-O 3.1Å; L622-F627 HydrophobicContact CD1-CB 4.11Å
623	K	68.1	Low	82.6	Confident	209 Å²	209	59.7 Å²	59.7	91%	0.909	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-30.4	179	-76.6	-177.7	178	174.7	0	113
624	D	70.9	Confident	82.6	Confident	108 Å²	108	60.7 Å²	60.7	58%	0.578	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.6	10.8	-169	-44.5	-19.9	0	0	0	113.2	N574 L622	N574-D624 WeakPolarHBondContact CB-O 3.35Å; N574-D624 PolarHBondContact ND2-O 2.96Å; L622-D624 PolarHBondContact O-N 3.24Å
625	G	71.9	Confident	82.4	Confident	14 Å²	14	65 Å²	65	14%	0.144	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.8	-179.6	-174	0	0	0	0	0	117	F573 L622	F573-G625 CarbonylContact O-C 3.4Å; F573-G625 WeakPolarHBondContact O-CA 3.26Å; L622-G625 PolarHBondContact N-O 3.25Å; L622-G625 PolarHBondContact O-N 3.21Å; L622-G625 VanDerWaalsContact O-O 3.1Å
626	Y	74.2	Confident	82.2	Confident	118 Å²	118	61.5 Å²	61.5	46%	0.463	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	140.3	172.6	-68	-82.3	0	0	0	110.9	F573 Q621	F573-Y626 PolarHBondContact N-O 2.87Å; F573-Y626 PolarHBondContact O-N 2.91Å; Q621-Y626 HydrophobicContact CB-CD1 4.26Å; Q621-Y626 HydrophobicContact CB-CE1 4.17Å; Q621-Y626 HydrophobicContact CG-CD1 4.08Å; Q621-Y626 HydrophobicContact CG-CE1 3.73Å
627	F	77.9	Confident	81.9	Confident	2 Å²	2	65 Å²	65	1%	0.009	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.8	-179.3	165.4	-100.4	0	0	0	110.7	L555 F570 Y602 I618 R619 D620 L622 I629	L555-F627 HydrophobicContact CD2-CD2 4.4Å; L555-F627 HydrophobicContact CD2-CE2 3.49Å; L555-F627 VanDerWaalsContact CD2-CE2 3.49Å; L555-F627 HydrophobicContact CD2-CZ 4.06Å; F570-F627 AromaticContact CD2-CD2 3.88Å; F570-F627 HydrophobicContact CD2-CD2 3.88Å; F570-F627 AromaticContact CD2-CE2 3.4Å; F570-F627 HydrophobicContact CD2-CE2 3.4Å; F570-F627 VanDerWaalsContact CD2-CE2 3.4Å; F570-F627 HydrophobicContact CD2-CZ 4.48Å; F570-F627 AromaticContact CE2-CD2 3.46Å; F570-F627 HydrophobicContact CE2-CD2 3.46Å; F570-F627 VanDerWaalsContact CE2-CD2 3.46Å; F570-F627 AromaticContact CE2-CE2 3.29Å; F570-F627 HydrophobicContact CE2-CE2 3.29Å; Y602-F627 HydrophobicContact CD1-CE1 4.18Å; Y602-F627 AromaticContact CE1-CD1 3.82Å; Y602-F627 HydrophobicContact CE1-CD1 3.82Å; Y602-F627 AromaticContact CE1-CE1 3.31Å; Y602-F627 HydrophobicContact CE1-CE1 3.31Å; Y602-F627 HydrophobicContact CE1-CZ 4Å; Y602-F627 HydrophobicContact CE2-CE1 4.07Å; Y602-F627 AromaticContact CE2-CZ 4Å; Y602-F627 HydrophobicContact CE2-CZ 4Å; Y602-F627 AromaticContact CZ-CE1 3.27Å; Y602-F627 AromaticContact CZ-CZ 3.43Å; Y602-F627 VanDerWaalsContact CZ-CZ 3.43Å; Y602-F627 VanDerWaalsContact OH-CE1 3.29Å; Y602-F627 WeakPolarHBondContact OH-CE1 3.46Å; Y602-F627 WeakPolarHBondContact OH-CZ 2.84Å; I618-F627 HydrophobicContact CG2-CE1 4.16Å; R619-F627 WeakPolarHBondContact CA-O 3.25Å; D620-F627 HydrophobicContact CB-CD1 4.04Å; D620-F627 PolarHBondContact N-O 3.11Å; D620-F627 PolarHBondContact O-N 2.98Å; L622-F627 HydrophobicContact CD1-CB 4.11Å; F627-I629 HydrophobicContact CE1-CB 3.89Å; F627-I629 HydrophobicContact CE1-CG2 3.37Å; F627-I629 HydrophobicContact CE2-CB 3.96Å; F627-I629 HydrophobicContact CE2-CG2 4.29Å; F627-I629 HydrophobicContact CZ-CB 3.33Å; F627-I629 HydrophobicContact CZ-CD1 4.22Å; F627-I629 HydrophobicContact CZ-CG1 4.35Å; F627-I629 HydrophobicContact CZ-CG2 3.22Å
628	F	83.4	Confident	81.4	Confident	61 Å²	61	61.9 Å²	61.9	27%	0.268	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	127.3	173	-57	-104	0	0	0	108.5	F570 K571 F573 I618 R619	F570-F628 WeakPolarHBondContact CA-O 3.44Å; K571-F628 HydrophobicContact CB-CB 4.33Å; K571-F628 PolarHBondContact N-O 3.16Å; K571-F628 PolarHBondContact O-N 3.37Å; F573-F628 AromaticContact CD2-CD2 3.85Å; F573-F628 HydrophobicContact CD2-CD2 3.85Å; F573-F628 AromaticContact CD2-CE2 3.76Å; F573-F628 HydrophobicContact CD2-CE2 3.76Å; F573-F628 AromaticContact CE2-CD2 3.65Å; F573-F628 HydrophobicContact CE2-CD2 3.65Å; F573-F628 AromaticContact CE2-CE2 3.74Å; F573-F628 HydrophobicContact CE2-CE2 3.74Å; I618-F628 WeakPolarHBondContact O-CA 3.4Å; R619-F628 HydrophobicContact CB-CD1 4.29Å; R619-F628 HydrophobicContact CB-CE1 4.45Å; R619-F628 HydrophobicContact CG-CD1 3.92Å; R619-F628 HydrophobicContact CG-CE1 3.69Å; R619-F628 HydrophobicContact CG-CZ 4.14Å
629	I	84.5	Confident	81.2	Confident	6 Å²	6	64 Å²	64	3%	0.031	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	134	169.4	-168.4	171.1	0	0	0	110.2	T569 I618 F627 I631	T569-I629 CarbonylContact O-C 3.57Å; T569-I629 VanDerWaalsContact O-CA 3.31Å; T569-I629 WeakPolarHBondContact O-CA 3.24Å; I618-I629 HydrophobicContact CB-CG2 3.62Å; I618-I629 HydrophobicContact CD1-CG2 4.14Å; I618-I629 HydrophobicContact CG1-CG2 4.32Å; I618-I629 HydrophobicContact CG2-CG2 4.12Å; I618-I629 PolarHBondContact N-O 2.79Å; I618-I629 PolarHBondContact O-N 3.46Å; F627-I629 HydrophobicContact CE1-CB 3.89Å; F627-I629 HydrophobicContact CE1-CG2 3.37Å; F627-I629 HydrophobicContact CE2-CB 3.96Å; F627-I629 HydrophobicContact CE2-CG2 4.29Å; F627-I629 HydrophobicContact CZ-CB 3.33Å; F627-I629 HydrophobicContact CZ-CD1 4.22Å; F627-I629 HydrophobicContact CZ-CG1 4.35Å; F627-I629 HydrophobicContact CZ-CG2 3.22Å; I629-I631 HydrophobicContact CD1-CD1 4.27Å; I629-I631 HydrophobicContact CD1-CG1 3.95Å; I629-I631 HydrophobicContact CG1-CG1 3.9Å; I629-I631 HydrophobicContact CG2-CD1 4.31Å; I629-I631 HydrophobicContact CG2-CG1 4.17Å
630	D	88.6	Confident	81.2	Confident	39 Å²	39	55.6 Å²	55.6	21%	0.209	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	115.4	167.6	-62.3	-30.1	0	0	0	107.4	G567 E568 T569 I615 I616 H617	G567-D630 CarbonylContact C-O 3.55Å; G567-D630 WeakPolarHBondContact CA-O 3.34Å; E568-D630 HydrophobicContact CB-CB 3.91Å; E568-D630 PolarHBondContact N-O 3.12Å; T569-D630 WeakPolarHBondContact CB-OD2 3.38Å; T569-D630 PolarHBondContact O-N 3.07Å; T569-D630 PolarHBondContact OG1-OD2 2.71Å; I615-D630 HydrophobicContact CG2-CB 3.88Å; I616-D630 WeakPolarHBondContact O-CA 3.42Å; H617-D630 IonicContact CE1-OD1 3.65Å; H617-D630 IonicContact CG-OD1 3.33Å; H617-D630 IonicContact ND1-OD1 3.59Å; H617-D630 PolarHBondContact ND1-OD1 2.83Å
631	I	89.4	Confident	81.5	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.6	179	-62.2	-177.5	0	0	0	108.5	F565 V600 I615 I616 I618 I629 C633	F565-I631 HydrophobicContact CB-CG2 3.59Å; F565-I631 HydrophobicContact CD1-CG2 3.95Å; F565-I631 HydrophobicContact CG-CG2 3.98Å; V600-I631 HydrophobicContact CG1-CD1 4.08Å; I615-I631 CarbonylContact C-O 3.5Å; I615-I631 WeakPolarHBondContact CA-O 3.5Å; I616-I631 HydrophobicContact CD1-CB 4.22Å; I616-I631 HydrophobicContact CG1-CB 3.78Å; I616-I631 HydrophobicContact CG1-CG2 4.44Å; I616-I631 PolarHBondContact N-O 2.89Å; I616-I631 PolarHBondContact O-N 3.47Å; I618-I631 HydrophobicContact CD1-CD1 3.66Å; I618-I631 HydrophobicContact CD1-CG1 4.37Å; I629-I631 HydrophobicContact CD1-CD1 4.27Å; I629-I631 HydrophobicContact CD1-CG1 3.95Å; I629-I631 HydrophobicContact CG1-CG1 3.9Å; I629-I631 HydrophobicContact CG2-CD1 4.31Å; I629-I631 HydrophobicContact CG2-CG1 4.17Å; I631-C633 PolarHBondContact O-N 3.28Å
632	Q	91.5	Very high	81.8	Confident	66 Å²	66	57.8 Å²	57.8	31%	0.308	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	102.2	169.5	-179.6	61.9	49.1	0	0	108.9	M566 E568	M566-Q632 HydrophobicContact CB-CB 4.16Å; M566-Q632 WeakPolarHBondContact O-CB 3.45Å; M566-Q632 PolarHBondContact O-N 2.86Å; E568-Q632 HydrophobicContact CG-CB 4.31Å
633	C	90.5	Very high	82.5	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	136.8	172.3	-64	0	0	0	0	110.6	C609 G613 G614 I631	C609-C633 HydrophobicContact CB-CB 3.45Å; C609-C633 VanDerWaalsContact CB-CB 3.45Å; C609-C633 WeakPolarHBondContact CB-SG 3.39Å; C609-C633 WeakPolarHBondContact SG-CB 3.02Å; C609-C633 CovalentContact SG-SG 2.03Å; C609-C633 PolarHBondContact SG-SG 2.83Å; G613-C633 WeakPolarHBondContact CA-O 3.18Å; G614-C633 PolarHBondContact N-O 3.47Å; G614-C633 VanDerWaalsContact N-O 3.11Å; G614-C633 WeakPolarHBondContact O-CA 3.48Å; G614-C633 VanDerWaalsContact O-CB 3.31Å; G614-C633 WeakPolarHBondContact O-CB 3.44Å; G614-C633 PolarHBondContact O-N 2.76Å; I631-C633 PolarHBondContact O-N 3.28Å
634	P	89.2	Confident	83.2	Confident	43 Å²	43	50.8 Å²	50.8	28%	0.279	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-73.9	173.9	167	36.3	-37	0	0	0	110.5	L598 G613 C636 S638 L639	L598-P634 HydrophobicContact CD2-CG 4.08Å; G613-P634 WeakPolarHBondContact CA-O 3.21Å; P634-C636 PolarHBondContact O-N 2.8Å; P634-S638 VanDerWaalsContact CB-OG 3.29Å; P634-S638 WeakPolarHBondContact CB-OG 3.28Å; P634-S638 WeakPolarHBondContact CG-OG 3.39Å; P634-L639 HydrophobicContact CG-CD1 3.76Å; P634-L639 HydrophobicContact CG-CG 4.16Å
635	M	88.1	Confident	83.7	Confident	108 Å²	108	47.4 Å²	47.4	53%	0.532	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-56.8	139.5	169.7	-76.9	-176.2	165.2	0	0	110.1	D612 T637 S638	D612-M635 WeakPolarHBondContact O-CG 3.36Å; M635-T637 PolarHBondContact O-N 2.82Å; M635-T637 VanDerWaalsContact O-N 3.1Å; M635-S638 WeakPolarHBondContact O-CB 3.2Å; M635-S638 PolarHBondContact O-N 2.82Å; M635-S638 PolarHBondContact O-OG 3.25Å
636	C	87.6	Confident	83.9	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.007	30%	0.303	C	S	.	.	H	α-helix	trans	-52.8	-40.7	-178	176.7	0	0	0	0	111.9	G597 L598 V611 P634 S638 L639 C640 C644	G597-C636 VanDerWaalsContact CA-SG 3.55Å; L598-C636 HydrophobicContact CB-CB 4.42Å; V611-C636 HydrophobicContact CG1-CB 4.2Å; V611-C636 WeakPolarHBondContact O-CB 3.36Å; V611-C636 PolarHBondContact O-N 3.34Å; P634-C636 PolarHBondContact O-N 2.8Å; C636-S638 PolarHBondContact O-N 3.13Å; C636-S638 VanDerWaalsContact O-N 3.16Å; C636-L639 PolarHBondContact O-N 3.1Å; C636-C640 WeakPolarHBondContact O-CA 3.4Å; C636-C640 VanDerWaalsContact O-CB 3.31Å; C636-C640 WeakPolarHBondContact O-CB 3.37Å; C636-C640 PolarHBondContact O-N 3.36Å; C636-C644 HydrophobicContact CB-CB 3.91Å; C636-C644 WeakPolarHBondContact CB-SG 3.5Å; C636-C644 PolarHBondContact O-SG 3.12Å; C636-C644 VanDerWaalsContact O-SG 3.38Å; C636-C644 VanDerWaalsContact SG-CA 3.55Å; C636-C644 WeakPolarHBondContact SG-CB 3.4Å; C636-C644 CovalentContact SG-SG 2.04Å; C636-C644 PolarHBondContact SG-SG 2.63Å
637	T	85.3	Confident	84.4	Confident	86 Å²	86	57.2 Å²	57.2	53%	0.528	30%	0.295	S	S	.	.	H	α-helix	trans	-64.3	-19.9	-178.5	52.8	0	0	0	0	113.8	M635 K641 C644	M635-T637 PolarHBondContact O-N 2.82Å; M635-T637 VanDerWaalsContact O-N 3.1Å; T637-K641 WeakPolarHBondContact O-CA 2.98Å; T637-K641 PolarHBondContact O-N 3.23Å; T637-C644 HydrophobicContact CG2-CB 4.47Å; T637-C644 PolarHBondContact N-SG 3.11Å; T637-C644 VanDerWaalsContact N-SG 3.42Å
638	S	82	Confident	84.8	Confident	68 Å²	68	60.1 Å²	60.1	48%	0.476	31%	0.31	S	S	.	.	H	α-helix	trans	-70.6	-35.7	179.2	77.8	0	0	0	0	112.4	P634 M635 C636	P634-S638 VanDerWaalsContact CB-OG 3.29Å; P634-S638 WeakPolarHBondContact CB-OG 3.28Å; P634-S638 WeakPolarHBondContact CG-OG 3.39Å; M635-S638 WeakPolarHBondContact O-CB 3.2Å; M635-S638 PolarHBondContact O-N 2.82Å; M635-S638 PolarHBondContact O-OG 3.25Å; C636-S638 PolarHBondContact O-N 3.13Å; C636-S638 VanDerWaalsContact O-N 3.16Å
639	L	83.3	Confident	84.8	Confident	47 Å²	47	60.1 Å²	60.1	25%	0.246	31%	0.313	C	S	.	.	H	α-helix	trans	-107	-39.2	-179.9	-70.4	176.1	0	0	0	112.2	A563 F565 F590 L598 P634 C636	A563-L639 HydrophobicContact CB-CD1 3.95Å; A563-L639 HydrophobicContact CB-CD2 3.83Å; F565-L639 HydrophobicContact CE1-CD1 3.89Å; F565-L639 HydrophobicContact CZ-CD1 3.78Å; F590-L639 HydrophobicContact CE2-CB 4.14Å; L598-L639 HydrophobicContact CD1-CB 4.18Å; L598-L639 HydrophobicContact CD1-CD1 3.96Å; L598-L639 HydrophobicContact CD2-CD1 3.91Å; P634-L639 HydrophobicContact CG-CD1 3.76Å; P634-L639 HydrophobicContact CG-CG 4.16Å; C636-L639 PolarHBondContact O-N 3.1Å
640	C	84	Confident	84.8	Confident	5 Å²	5	63.2 Å²	63.2	3%	0.034	33%	0.329	C	S	.	.	H	α-helix	trans	-100.3	-5.3	-173.9	-62.4	0	0	0	0	114.5	C592 C636 D642 N643	C592-C640 VanDerWaalsContact CA-SG 3.58Å; C592-C640 HydrophobicContact CB-CB 3.62Å; C592-C640 WeakPolarHBondContact CB-SG 2.89Å; C592-C640 WeakPolarHBondContact SG-CA 3.27Å; C592-C640 WeakPolarHBondContact SG-CB 2.94Å; C592-C640 CovalentContact SG-SG 2.03Å; C592-C640 PolarHBondContact SG-SG 2.88Å; C636-C640 WeakPolarHBondContact O-CA 3.4Å; C636-C640 VanDerWaalsContact O-CB 3.31Å; C636-C640 WeakPolarHBondContact O-CB 3.37Å; C636-C640 PolarHBondContact O-N 3.36Å; C640-D642 PolarHBondContact O-N 2.86Å; C640-D642 VanDerWaalsContact O-N 3.1Å; C640-N643 HydrophobicContact CB-CB 4.44Å; C640-N643 WeakPolarHBondContact O-CB 3.41Å; C640-N643 PolarHBondContact O-N 3.44Å
641	K	80	Confident	84.6	Confident	74 Å²	74	64.8 Å²	64.8	32%	0.322	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	-114.3	175.8	-59.5	176.8	179.2	172.3	0	111.6	K344 N345 T637	K344-K641 PolarHBondContact O-NZ 2.91Å; N345-K641 VanDerWaalsContact CA-NZ 3.28Å; N345-K641 HydrophobicContact CB-CD 4Å; N345-K641 VanDerWaalsContact CG-CD 3.48Å; N345-K641 WeakPolarHBondContact OD1-CD 3.48Å; N345-K641 VanDerWaalsContact OD1-CE 3.27Å; N345-K641 WeakPolarHBondContact OD1-CE 2.89Å; N345-K641 PolarHBondContact OD1-NZ 3.26Å; T637-K641 WeakPolarHBondContact O-CA 2.98Å; T637-K641 PolarHBondContact O-N 3.23Å
642	D	79.1	Confident	84.3	Confident	137 Å²	137	69.1 Å²	69.1	73%	0.733	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-10.6	-178.2	-62.2	-37.2	0	0	0	113.5	C640 C644	C640-D642 PolarHBondContact O-N 2.86Å; C640-D642 VanDerWaalsContact O-N 3.1Å; D642-C644 PolarHBondContact O-N 3.11Å
643	N	82.2	Confident	83.8	Confident	70 Å²	70	69.3 Å²	69.3	37%	0.374	36%	0.363	S	S	.	.			trans	-83.9	48	177.2	-70.1	-31.9	0	0	0	111.8	C592 C640	C592-N643 HydrophobicContact CB-CB 4.22Å; C640-N643 HydrophobicContact CB-CB 4.44Å; C640-N643 WeakPolarHBondContact O-CB 3.41Å; C640-N643 PolarHBondContact O-N 3.44Å
644	C	82.6	Confident	83.3	Confident	14 Å²	14	74.6 Å²	74.6	10%	0.095	39%	0.391	C	S	.	.	S	Bend	trans	-123.1	142.1	178.8	-65.7	0	0	0	0	110.5	C636 T637 D642 K646	C636-C644 HydrophobicContact CB-CB 3.91Å; C636-C644 WeakPolarHBondContact CB-SG 3.5Å; C636-C644 PolarHBondContact O-SG 3.12Å; C636-C644 VanDerWaalsContact O-SG 3.38Å; C636-C644 VanDerWaalsContact SG-CA 3.55Å; C636-C644 WeakPolarHBondContact SG-CB 3.4Å; C636-C644 CovalentContact SG-SG 2.04Å; C636-C644 PolarHBondContact SG-SG 2.63Å; T637-C644 HydrophobicContact CG2-CB 4.47Å; T637-C644 PolarHBondContact N-SG 3.11Å; T637-C644 VanDerWaalsContact N-SG 3.42Å; D642-C644 PolarHBondContact O-N 3.11Å; C644-K646 PolarHBondContact O-N 3.25Å
645	P	81.7	Confident	82.8	Confident	36 Å²	36	77.3 Å²	77.3	23%	0.234	40%	0.4	C	S	.	.			trans	-54	135.5	169.1	-23.4	32.2	0	0	0	109.9	N595 V611	N595-P645 WeakPolarHBondContact O-CG 3.42Å; V611-P645 HydrophobicContact CG2-CB 4.21Å; V611-P645 HydrophobicContact CG2-CG 4.07Å
646	K	77.4	Confident	82.3	Confident	281 Å²	281	74.5 Å²	74.5	100%	1.222	39%	0.388	S	S	*	.			trans	-82	0	179.2	-71.5	-171	178.4	-177.7	0	112.9	C644	C644-K646 PolarHBondContact O-N 3.25Å

Retrieved 646 of 646 residues in 1010.8 ms (Link to these results)

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