A0A3Q0KIW6_SCHMA Loading...

Gamma-glutamyltransferase-like protein 3 (T03 family)

AlphaFold DB , UniProt , Accession A0A3Q0KIW6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 681 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	31.6	Very low	30.1	Very low	249 Å²	249	164.7 Å²	164.7	100%	1.227	84%	0.837	S	S	*	*				0	105	0	-89.6	174	152.3	0	0	107.5
2	E	27.2	Very low	29.9	Very low	168 Å²	168	163.3 Å²	163.3	79%	0.785	83%	0.83	S	S	*	*			trans	-65.2	131.4	172.4	-68.2	174.8	121.5	0	0	109.7
3	S	30.4	Very low	29.8	Very low	119 Å²	119	164.7 Å²	164.7	83%	0.832	83%	0.832	S	S	*	*			trans	-135.9	92.1	149	65.8	0	0	0	0	107.3	S5	S3-S5 PolarHBondContact O-N 3.32Å
4	K	31.4	Very low	29.6	Very low	178 Å²	178	164.6 Å²	164.6	77%	0.774	83%	0.833	S	S	*	*			trans	-73.6	109.6	167.5	-74.7	175.1	175.3	169.5	0	106.9
5	S	32.1	Very low	29.8	Very low	101 Å²	101	161.8 Å²	161.8	71%	0.706	83%	0.828	S	S	*	*			trans	-109.4	90.2	161.9	72.4	0	0	0	0	108.8	S3 N7	S3-S5 PolarHBondContact O-N 3.32Å; S5-N7 VanDerWaalsContact C-N 3.33Å; S5-N7 PolarHBondContact O-N 3.42Å
6	E	29.4	Very low	29.6	Very low	189 Å²	189	164.4 Å²	164.4	88%	0.883	84%	0.835	S	S	*	*			trans	-69.2	88.3	163.7	-76.4	-179.4	146.3	0	0	109	K8	E6-K8 PolarHBondContact O-N 2.86Å
7	N	30.7	Very low	29.6	Very low	136 Å²	136	160.1 Å²	160.1	73%	0.727	82%	0.824	S	S	*	*			trans	-91.5	93.1	167.6	-87.9	-16.2	0	0	0	109.5	S5 H9	S5-N7 VanDerWaalsContact C-N 3.33Å; S5-N7 PolarHBondContact O-N 3.42Å; N7-H9 PolarHBondContact O-N 3.47Å; N7-H9 VanDerWaalsContact O-N 3.11Å
8	K	29.4	Very low	29.5	Very low	194 Å²	194	159.4 Å²	159.4	84%	0.843	82%	0.822	S	S	*	*			trans	-49.5	110.7	158.7	-96.3	176.7	171.7	174.1	0	108.8	E6 N10	E6-K8 PolarHBondContact O-N 2.86Å; K8-N10 PolarHBondContact O-N 3.45Å; K8-N10 VanDerWaalsContact O-N 3.14Å
9	H	28.9	Very low	29.5	Very low	178 Å²	178	160.5 Å²	160.5	82%	0.824	83%	0.828	S	S	*	*			trans	-68.6	103	163.8	-89.5	37.5	0	0	0	107.8	N7	N7-H9 PolarHBondContact O-N 3.47Å; N7-H9 VanDerWaalsContact O-N 3.11Å
10	N	31.1	Very low	29.4	Very low	137 Å²	137	157.7 Å²	157.7	73%	0.733	82%	0.822	S	S	*	*			trans	-80.6	124.5	159.7	-81.9	-10.3	0	0	0	107.4	K8 I12	K8-N10 PolarHBondContact O-N 3.45Å; K8-N10 VanDerWaalsContact O-N 3.14Å; N10-I12 PolarHBondContact O-N 3.36Å
11	D	28.5	Very low	29.4	Very low	163 Å²	163	159.6 Å²	159.6	87%	0.872	82%	0.824	S	S	*	*			trans	-56.9	114	175.3	-65.2	-50.3	0	0	0	110.1	E13	D11-E13 PolarHBondContact O-N 3.45Å
12	I	28.5	Very low	29	Very low	148 Å²	148	153.8 Å²	153.8	76%	0.759	80%	0.803	S	S	*	*			trans	-89.4	100.9	171.3	-63.2	173.9	0	0	0	106.9	N10 L14	N10-I12 PolarHBondContact O-N 3.36Å; I12-L14 PolarHBondContact O-N 2.98Å
13	E	27.8	Very low	29.2	Very low	181 Å²	181	154.8 Å²	154.8	85%	0.846	81%	0.807	S	S	*	*			trans	-71.6	110.9	168.7	-157.9	171	-161.7	0	0	108.4	D11 T15	D11-E13 PolarHBondContact O-N 3.45Å; E13-T15 PolarHBondContact O-N 3.34Å
14	L	27.1	Very low	29	Very low	163 Å²	163	158.6 Å²	158.6	85%	0.853	81%	0.812	S	S	*	*			trans	-74.5	103.7	-178.1	-80.9	154.4	0	0	0	110.4	I12	I12-L14 PolarHBondContact O-N 2.98Å
15	T	32.7	Very low	28.9	Very low	123 Å²	123	156 Å²	156	76%	0.755	81%	0.811	S	S	*	*			trans	-90	119.1	164.7	46.1	0	0	0	0	110.1	E13 S17	E13-T15 PolarHBondContact O-N 3.34Å; T15-S17 PolarHBondContact O-N 3.46Å
16	Q	27.3	Very low	29.1	Very low	203 Å²	203	157.1 Å²	157.1	95%	0.949	82%	0.816	S	S	*	*			trans	-74.9	97.1	173.8	-79.6	177.3	-31.7	0	0	110.3
17	S	28.8	Very low	29.1	Very low	91 Å²	91	158.2 Å²	158.2	64%	0.636	82%	0.818	S	S	*	*			trans	-147.7	142.5	155.3	59.5	0	0	0	0	109.9	T15	T15-S17 PolarHBondContact O-N 3.46Å
18	D	28.5	Very low	28.9	Very low	149 Å²	149	154.8 Å²	154.8	80%	0.797	82%	0.815	S	S	*	*			trans	91.6	58.9	168.5	-50.3	-24.6	0	0	0	117.8
19	I	29.1	Very low	28.8	Very low	180 Å²	180	154 Å²	154	92%	0.923	81%	0.814	S	S	*	*			trans	-122.5	78.1	149.5	-53.9	178.1	0	0	0	108.4
20	S	26.8	Very low	28.7	Very low	103 Å²	103	151.4 Å²	151.4	72%	0.72	81%	0.806	S	S	*	*			trans	-142	112.2	158.7	71.4	0	0	0	0	108.6
21	K	29.8	Very low	28.7	Very low	199 Å²	199	152.1 Å²	152.1	87%	0.865	81%	0.81	S	S	*	*			trans	-174.2	91.7	154.7	-101.1	159.3	-169.8	-176.4	0	109.7
22	T	24.2	Very low	28.7	Very low	126 Å²	126	152 Å²	152	77%	0.773	80%	0.804	S	S	*	*			trans	-20.5	134.4	144.8	37	0	0	0	0	116
23	H	29.9	Very low	28.9	Very low	190 Å²	190	156 Å²	156	88%	0.88	81%	0.811	S	S	*	*			trans	-159.9	98.9	140.8	-88.8	-65.8	0	0	0	108.9
24	Q	27.9	Very low	29	Very low	198 Å²	198	154 Å²	154	93%	0.925	81%	0.805	S	S	*	*			trans	-112.4	119.4	162.8	-88.8	-177.3	-21.1	0	0	108.2
25	T	27.9	Very low	29.3	Very low	124 Å²	124	152.8 Å²	152.8	76%	0.761	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-81.3	146.2	176.8	36.5	0	0	0	0	111.5
26	P	35.9	Very low	29.4	Very low	125 Å²	125	154.1 Å²	154.1	81%	0.812	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-90.9	142.5	-169.7	35.2	-32.9	0	0	0	113.2
27	F	29.3	Very low	29.6	Very low	212 Å²	212	153.5 Å²	153.5	93%	0.93	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-88.3	128.6	167.2	-82.4	-90.6	0	0	0	109.2
28	G	27.4	Very low	30.2	Very low	63 Å²	63	156.6 Å²	156.6	65%	0.649	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-98.8	172	178.4	0	0	0	0	0	113.8
29	E	27.1	Very low	30.9	Very low	179 Å²	179	155.4 Å²	155.4	84%	0.836	81%	0.808	S	S	*	*			trans	60.4	138.6	148.1	-67.7	179.1	170.2	0	0	117.2
30	D	27.6	Very low	31.6	Very low	122 Å²	122	152.1 Å²	152.1	65%	0.652	79%	0.792	S	S	*	*			cis	-167.9	152.9	-0.6	-93	-31	0	0	0	105.5
31	N	31.2	Very low	32.4	Very low	152 Å²	152	152.5 Å²	152.5	81%	0.813	80%	0.795	S	S	*	*			trans	163.3	82.8	142.4	-81	-29.1	0	0	0	111.7
32	E	28.6	Very low	33.1	Very low	161 Å²	161	150.2 Å²	150.2	75%	0.752	79%	0.791	S	S	*	*				17.1	113	126.5	-142.3	171.4	-160.4	0	0	118.4	I34	E32-I34 HydrophobicContact CG-CG1 4.35Å
33	Y	31.3	Very low	34.1	Very low	233 Å²	233	149.7 Å²	149.7	91%	0.914	78%	0.783	S	S	*	*			trans	-133.9	120.8	149.2	-95.4	-88.3	0	0	0	109.3
34	I	30.2	Very low	34.9	Very low	137 Å²	137	147 Å²	147	70%	0.703	77%	0.769	S	S	*	*			trans	-85.7	122.6	-176.1	-64.5	165	0	0	0	109.3	E32	E32-I34 HydrophobicContact CG-CG1 4.35Å
35	V	34.4	Very low	35.7	Very low	138 Å²	138	145.5 Å²	145.5	84%	0.836	77%	0.767	S	S	*	*			trans	-141.8	114.6	152.3	-178.3	0	0	0	0	110.6
36	N	33.2	Very low	36.6	Very low	151 Å²	151	144.4 Å²	144.4	81%	0.807	76%	0.764	S	S	*	*			trans	16.1	122.4	158.6	-80.5	-29.5	0	0	0	122.2
37	K	33.2	Very low	37.2	Very low	191 Å²	191	142.1 Å²	142.1	83%	0.83	74%	0.744	S	S	*	*			trans	-53.2	130.3	153.9	-70.7	168.9	172.3	170.8	0	111.2
38	D	40.8	Very low	37.9	Very low	156 Å²	156	138.9 Å²	138.9	83%	0.834	74%	0.737	S	S	*	*	S	Bend		169.9	39.9	128.1	-84.4	-13.1	0	0	0	113.7
39	T	42.9	Very low	39.1	Very low	123 Å²	123	144.6 Å²	144.6	76%	0.755	75%	0.746	S	S	*	*	S	Bend	trans	-129.3	5	167.4	29.1	0	0	0	0	113.9	S41	T39-S41 PolarHBondContact O-N 3.14Å
40	D	44.7	Very low	40.2	Very low	111 Å²	111	139.6 Å²	139.6	59%	0.594	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	4.7	-165.3	-141.1	36.1	0	0	0	115.4	K44	D40-K44 IonicContact OD2-NZ 2.86Å; D40-K44 PolarHBondContact OD2-NZ 3.44Å
41	S	42.4	Very low	41.3	Very low	111 Å²	111	138 Å²	138	78%	0.776	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	-14.6	176.7	69	0	0	0	0	115.1	T39	T39-S41 PolarHBondContact O-N 3.14Å
42	I	44.9	Very low	42.2	Very low	152 Å²	152	138 Å²	138	78%	0.779	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-22.7	179.2	-61.6	179.9	0	0	0	111.8
43	L	46.2	Very low	43.3	Very low	114 Å²	114	137.7 Å²	137.7	60%	0.597	71%	0.712	S	S	*	*	S	Bend	trans	-91.7	-7.4	-175.5	-119.1	88.2	0	0	0	116.2	I47	L43-I47 HydrophobicContact CD2-CD1 3.99Å; L43-I47 HydrophobicContact CG-CD1 4.37Å
44	K	46.3	Very low	44.1	Very low	134 Å²	134	135.3 Å²	135.3	58%	0.583	70%	0.702	S	S	*	*	S	Bend	trans	-85.8	-10.8	-169.4	-89.3	174.4	179.1	151.1	0	116.8	D40	D40-K44 IonicContact OD2-NZ 2.86Å; D40-K44 PolarHBondContact OD2-NZ 3.44Å
45	N	45	Very low	45.3	Very low	166 Å²	166	138.4 Å²	138.4	89%	0.888	70%	0.704	S	S	*	*	S	Bend	trans	-110.8	2.1	-177.3	-80.7	-2.7	0	0	0	116.8
46	S	47	Very low	46.3	Very low	101 Å²	101	138.5 Å²	138.5	71%	0.706	69%	0.694	S	S	*	*	S	Bend	trans	-112.2	1.6	178.3	88.2	0	0	0	0	116
47	I	46.7	Very low	48.1	Very low	77 Å²	77	135.5 Å²	135.5	40%	0.395	68%	0.675	S	S	.	*	S	Bend	trans	-107.6	-9.6	-169.3	-65	179.1	0	0	0	114.5	L43	L43-I47 HydrophobicContact CD2-CD1 3.99Å; L43-I47 HydrophobicContact CG-CD1 4.37Å
48	N	45.9	Very low	50.4	Low	144 Å²	144	128.3 Å²	128.3	77%	0.77	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	2.9	-159.3	-107.1	-1.6	0	0	0	120.1
49	E	51.3	Low	52.6	Low	183 Å²	183	125 Å²	125	86%	0.855	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.1	-32.3	174.9	-77	-169.9	152.3	0	0	116.2
50	S	50.3	Low	54.7	Low	75 Å²	75	124 Å²	124	52%	0.524	63%	0.63	S	S	.	*	H	α-helix	trans	-79.9	-28.4	-176.7	71.2	0	0	0	0	114
51	N	51.1	Low	56.9	Low	88 Å²	88	123.8 Å²	123.8	47%	0.471	63%	0.628	S	S	.	*	H	α-helix	trans	-82.4	-13.9	-172.2	-81.6	-23.7	0	0	0	115.3
52	K	50.1	Low	59.2	Low	153 Å²	153	122.8 Å²	122.8	67%	0.665	62%	0.617	S	S	*	*	H	α-helix	trans	-74.3	-33.2	175.8	-99.8	-179.5	178.1	175.7	0	112.4	F56	K52-F56 WeakPolarHBondContact O-CD2 3.38Å
53	K	50.6	Low	61.5	Low	154 Å²	154	119.3 Å²	119.3	67%	0.67	60%	0.603	S	S	*	*	H	α-helix	trans	-69.8	-44.3	-177	-162	175.6	179.2	-177.1	0	112.3	R55	K53-R55 VanDerWaalsContact C-N 3.34Å; K53-R55 PolarHBondContact O-N 3.14Å
54	W	49.1	Very low	63.8	Low	183 Å²	183	119.2 Å²	119.2	69%	0.693	60%	0.602	S	S	*	*	H	α-helix	trans	-69.3	-27.5	177.9	-64.2	99.1	0	0	0	113.8	E57 G58	W54-E57 PolarHBondContact O-N 2.83Å; W54-G58 PolarHBondContact O-N 3.49Å
55	R	54.8	Low	66.1	Low	201 Å²	201	116.2 Å²	116.2	76%	0.758	60%	0.598	S	S	*	*	H	α-helix	trans	-68.4	-33.7	178.7	-92.1	-175	152.5	-171.7	-5.8	113.6	K53	K53-R55 VanDerWaalsContact C-N 3.34Å; K53-R55 PolarHBondContact O-N 3.14Å
56	F	56.2	Low	68.5	Low	140 Å²	140	112.7 Å²	112.7	61%	0.614	58%	0.582	S	S	*	*	H	α-helix	trans	-79.4	-29	176.8	-74.1	-71.6	0	0	0	112.7	K52 V59 N60	K52-F56 WeakPolarHBondContact O-CD2 3.38Å; F56-V59 PolarHBondContact O-N 3.47Å; F56-N60 WeakPolarHBondContact O-CB 3.32Å; F56-N60 PolarHBondContact O-N 3.1Å; F56-N60 PolarHBondContact O-ND2 3.49Å
57	E	71.1	Confident	70.9	Confident	89 Å²	89	111.6 Å²	111.6	42%	0.416	57%	0.571	S	S	.	*	H	α-helix	trans	-63.4	-44.2	176.9	-73.7	-177.3	178.9	0	0	112.2	W54 V59 N60 I61	W54-E57 PolarHBondContact O-N 2.83Å; E57-V59 PolarHBondContact O-N 3.5Å; E57-N60 PolarHBondContact O-N 2.9Å; E57-I61 VanDerWaalsContact O-CG1 3.28Å; E57-I61 WeakPolarHBondContact O-CG1 3.37Å; E57-I61 PolarHBondContact O-N 3.31Å
58	G	81.4	Confident	73.3	Confident	39 Å²	39	112 Å²	112	40%	0.402	58%	0.577	S	S	.	*	H	α-helix	trans	-61.4	-43.7	177.6	0	0	0	0	0	113.1	W54 I61 V62	W54-G58 PolarHBondContact O-N 3.49Å; G58-I61 PolarHBondContact O-N 2.92Å; G58-V62 WeakPolarHBondContact O-CG2 3.28Å; G58-V62 PolarHBondContact O-N 3.07Å; G58-V62 VanDerWaalsContact O-N 3.14Å
59	V	85.8	Confident	75.7	Confident	87 Å²	87	110.3 Å²	110.3	53%	0.527	57%	0.567	S	S	.	*	H	α-helix	trans	-66.4	-42.2	178.2	177.7	0	0	0	0	111	F56 E57 I61 V62 V63	F56-V59 PolarHBondContact O-N 3.47Å; E57-V59 PolarHBondContact O-N 3.5Å; V59-I61 VanDerWaalsContact C-N 3.33Å; V59-I61 PolarHBondContact O-N 2.88Å; V59-V62 PolarHBondContact O-N 2.89Å; V59-V63 HydrophobicContact CG1-CG2 4.22Å; V59-V63 VanDerWaalsContact O-CG2 3.3Å; V59-V63 WeakPolarHBondContact O-CG2 3.35Å; V59-V63 PolarHBondContact O-N 3.48Å
60	N	86.9	Confident	77.9	Confident	101 Å²	101	104.8 Å²	104.8	54%	0.54	55%	0.549	S	S	.	.	H	α-helix	trans	-63.2	-38.4	178.5	-72.8	-14.5	0	0	0	112.3	F56 E57 L64	F56-N60 WeakPolarHBondContact O-CB 3.32Å; F56-N60 PolarHBondContact O-N 3.1Å; F56-N60 PolarHBondContact O-ND2 3.49Å; E57-N60 PolarHBondContact O-N 2.9Å; N60-L64 VanDerWaalsContact O-CB 3.25Å; N60-L64 WeakPolarHBondContact O-CB 3.3Å; N60-L64 PolarHBondContact O-N 3.26Å
61	I	90.8	Very high	80.1	Confident	107 Å²	107	104.6 Å²	104.6	55%	0.549	55%	0.545	S	S	.	.	H	α-helix	trans	-63.9	-46.5	175.5	-68.2	164.3	0	0	0	110.4	E57 G58 V59 V63 L64 S65	E57-I61 VanDerWaalsContact O-CG1 3.28Å; E57-I61 WeakPolarHBondContact O-CG1 3.37Å; E57-I61 PolarHBondContact O-N 3.31Å; G58-I61 PolarHBondContact O-N 2.92Å; V59-I61 VanDerWaalsContact C-N 3.33Å; V59-I61 PolarHBondContact O-N 2.88Å; I61-V63 PolarHBondContact O-N 3.17Å; I61-L64 PolarHBondContact O-N 3.08Å; I61-S65 PolarHBondContact O-N 3.42Å; I61-S65 PolarHBondContact O-OG 3.02Å; I61-S65 VanDerWaalsContact O-OG 3.08Å
62	V	92.1	Very high	82.3	Confident	90 Å²	90	102.9 Å²	102.9	55%	0.545	54%	0.542	S	S	.	.	H	α-helix	trans	-61.4	-46.7	178.3	173.7	0	0	0	0	111	G58 V59 L64 S65 V66	G58-V62 WeakPolarHBondContact O-CG2 3.28Å; G58-V62 PolarHBondContact O-N 3.07Å; G58-V62 VanDerWaalsContact O-N 3.14Å; V59-V62 PolarHBondContact O-N 2.89Å; V62-L64 VanDerWaalsContact C-N 3.35Å; V62-L64 PolarHBondContact O-N 2.97Å; V62-S65 PolarHBondContact O-N 3.28Å; V62-V66 WeakPolarHBondContact O-CG2 3.28Å; V62-V66 PolarHBondContact O-N 3.46Å
63	V	93.1	Very high	84.5	Confident	80 Å²	80	99.6 Å²	99.6	49%	0.485	53%	0.531	S	S	.	.	H	α-helix	trans	-60.5	-45.4	177.5	171.9	0	0	0	0	110.7	V59 I61 S65 V66 V67	V59-V63 HydrophobicContact CG1-CG2 4.22Å; V59-V63 VanDerWaalsContact O-CG2 3.3Å; V59-V63 WeakPolarHBondContact O-CG2 3.35Å; V59-V63 PolarHBondContact O-N 3.48Å; I61-V63 PolarHBondContact O-N 3.17Å; V63-S65 PolarHBondContact O-N 3.02Å; V63-V66 PolarHBondContact O-N 3.24Å; V63-V67 HydrophobicContact CG1-CG2 4.45Å; V63-V67 VanDerWaalsContact O-CG2 3.31Å; V63-V67 WeakPolarHBondContact O-CG2 3.29Å; V63-V67 PolarHBondContact O-N 2.93Å
64	L	94	Very high	86.7	Confident	111 Å²	111	95.6 Å²	95.6	58%	0.581	52%	0.52	S	S	*	.	H	α-helix	trans	-61.7	-43.3	177.7	-175.3	64.9	0	0	0	111.6	N60 I61 V62 V66 V67 V68	N60-L64 VanDerWaalsContact O-CB 3.25Å; N60-L64 WeakPolarHBondContact O-CB 3.3Å; N60-L64 PolarHBondContact O-N 3.26Å; I61-L64 PolarHBondContact O-N 3.08Å; V62-L64 VanDerWaalsContact C-N 3.35Å; V62-L64 PolarHBondContact O-N 2.97Å; L64-V66 PolarHBondContact O-N 2.85Å; L64-V67 PolarHBondContact O-N 3.46Å; L64-V68 HydrophobicContact CD1-CG2 4.44Å; L64-V68 WeakPolarHBondContact O-CB 3.25Å; L64-V68 VanDerWaalsContact O-CG2 3.28Å; L64-V68 WeakPolarHBondContact O-CG2 3.31Å; L64-V68 PolarHBondContact O-N 3.05Å
65	S	94.2	Very high	89	Confident	71 Å²	71	91.3 Å²	91.3	50%	0.497	51%	0.51	S	S	.	.	H	α-helix	trans	-62.2	-41.4	176.5	-63.7	0	0	0	0	112.5	I61 V62 V63 V68 L69	I61-S65 PolarHBondContact O-N 3.42Å; I61-S65 PolarHBondContact O-OG 3.02Å; I61-S65 VanDerWaalsContact O-OG 3.08Å; V62-S65 PolarHBondContact O-N 3.28Å; V63-S65 PolarHBondContact O-N 3.02Å; S65-V68 PolarHBondContact O-N 3.39Å; S65-L69 VanDerWaalsContact O-CB 3.32Å; S65-L69 WeakPolarHBondContact O-CB 3.28Å; S65-L69 PolarHBondContact O-N 3.44Å
66	V	96.7	Very high	90.9	Very high	92 Å²	92	84.5 Å²	84.5	56%	0.558	50%	0.496	S	S	*	.	H	α-helix	trans	-65.3	-42.2	176.7	172.4	0	0	0	0	111	V62 V63 L64 L69 S70	V62-V66 WeakPolarHBondContact O-CG2 3.28Å; V62-V66 PolarHBondContact O-N 3.46Å; V63-V66 PolarHBondContact O-N 3.24Å; L64-V66 PolarHBondContact O-N 2.85Å; V66-L69 PolarHBondContact O-N 2.96Å; V66-S70 VanDerWaalsContact O-CB 3.28Å; V66-S70 WeakPolarHBondContact O-CB 3.32Å; V66-S70 PolarHBondContact O-N 3.29Å
67	V	96.3	Very high	92.6	Very high	79 Å²	79	82.5 Å²	82.5	48%	0.479	49%	0.491	S	S	.	.	H	α-helix	trans	-63.9	-45.2	177	171.7	0	0	0	0	111	V63 L64 S70 T71	V63-V67 HydrophobicContact CG1-CG2 4.45Å; V63-V67 VanDerWaalsContact O-CG2 3.31Å; V63-V67 WeakPolarHBondContact O-CG2 3.29Å; V63-V67 PolarHBondContact O-N 2.93Å; L64-V67 PolarHBondContact O-N 3.46Å; V67-S70 PolarHBondContact O-N 3.33Å; V67-T71 WeakPolarHBondContact O-CB 3.49Å; V67-T71 WeakPolarHBondContact O-CG2 3.33Å; V67-T71 PolarHBondContact O-N 3.46Å; V67-T71 PolarHBondContact O-OG1 3.17Å
68	V	96.8	Very high	93.7	Very high	85 Å²	85	82.3 Å²	82.3	52%	0.515	49%	0.492	S	S	.	.	H	α-helix	trans	-63.6	-43.2	177.7	171.9	0	0	0	0	111.3	L64 S65 T71 A72	L64-V68 HydrophobicContact CD1-CG2 4.44Å; L64-V68 WeakPolarHBondContact O-CB 3.25Å; L64-V68 VanDerWaalsContact O-CG2 3.28Å; L64-V68 WeakPolarHBondContact O-CG2 3.31Å; L64-V68 PolarHBondContact O-N 3.05Å; S65-V68 PolarHBondContact O-N 3.39Å; V68-T71 WeakPolarHBondContact CA-OG1 3.32Å; V68-T71 PolarHBondContact O-N 3.42Å; V68-T71 PolarHBondContact O-OG1 3.36Å; V68-A72 VanDerWaalsContact O-CB 3.32Å; V68-A72 WeakPolarHBondContact O-CB 3.49Å; V68-A72 PolarHBondContact O-N 3.48Å
69	L	97	Very high	94.2	Very high	109 Å²	109	86.2 Å²	86.2	57%	0.571	50%	0.499	S	S	*	.	H	α-helix	trans	-65.8	-44.3	177.3	-178.1	61.9	0	0	0	111.6	S65 V66 T71 A72 I73	S65-L69 VanDerWaalsContact O-CB 3.32Å; S65-L69 WeakPolarHBondContact O-CB 3.28Å; S65-L69 PolarHBondContact O-N 3.44Å; V66-L69 PolarHBondContact O-N 2.96Å; L69-T71 PolarHBondContact O-N 3.33Å; L69-A72 PolarHBondContact O-N 2.91Å; L69-I73 HydrophobicContact CD1-CD1 4.01Å; L69-I73 HydrophobicContact CD1-CG1 4.28Å; L69-I73 HydrophobicContact CG-CD1 3.86Å; L69-I73 VanDerWaalsContact O-CG1 3.28Å; L69-I73 WeakPolarHBondContact O-CG1 3.36Å; L69-I73 PolarHBondContact O-N 3.25Å
70	S	97.1	Very high	94.3	Very high	66 Å²	66	85.5 Å²	85.5	46%	0.462	50%	0.497	S	S	.	.	H	α-helix	trans	-60.7	-46.3	177.8	-173.3	0	0	0	0	111	V66 V67 I73 T74	V66-S70 VanDerWaalsContact O-CB 3.28Å; V66-S70 WeakPolarHBondContact O-CB 3.32Å; V66-S70 PolarHBondContact O-N 3.29Å; V67-S70 PolarHBondContact O-N 3.33Å; S70-I73 PolarHBondContact O-N 3.46Å; S70-T74 WeakPolarHBondContact O-CB 3.44Å; S70-T74 PolarHBondContact O-N 2.91Å; S70-T74 PolarHBondContact O-OG1 2.89Å
71	T	96.8	Very high	94.1	Very high	72 Å²	72	87.3 Å²	87.3	44%	0.442	51%	0.506	S	S	.	.	H	α-helix	trans	-63.9	-41.8	177.7	47.7	0	0	0	0	112	V67 V68 L69 T74 I75	V67-T71 WeakPolarHBondContact O-CB 3.49Å; V67-T71 WeakPolarHBondContact O-CG2 3.33Å; V67-T71 PolarHBondContact O-N 3.46Å; V67-T71 PolarHBondContact O-OG1 3.17Å; V68-T71 WeakPolarHBondContact CA-OG1 3.32Å; V68-T71 PolarHBondContact O-N 3.42Å; V68-T71 PolarHBondContact O-OG1 3.36Å; L69-T71 PolarHBondContact O-N 3.33Å; T71-T74 PolarHBondContact O-N 2.91Å; T71-I75 WeakPolarHBondContact O-CB 3.3Å; T71-I75 WeakPolarHBondContact O-CG1 3.41Å; T71-I75 PolarHBondContact O-N 2.86Å
72	A	97.1	Very high	93.8	Very high	51 Å²	51	87.4 Å²	87.4	42%	0.421	51%	0.506	S	S	.	.	H	α-helix	trans	-61.6	-44.1	174.5	0	0	0	0	0	112.5	V68 L69 I75 A76	V68-A72 VanDerWaalsContact O-CB 3.32Å; V68-A72 WeakPolarHBondContact O-CB 3.49Å; V68-A72 PolarHBondContact O-N 3.48Å; L69-A72 PolarHBondContact O-N 2.91Å; A72-I75 PolarHBondContact O-N 3.35Å; A72-A76 WeakPolarHBondContact O-CB 3.43Å; A72-A76 PolarHBondContact O-N 2.8Å
73	I	97.3	Very high	93.3	Very high	85 Å²	85	90.4 Å²	90.4	44%	0.436	51%	0.512	S	S	.	.	H	α-helix	trans	-64.4	-44.3	176.2	-68	167.5	0	0	0	110.4	L69 S70 I75 A76 L77	L69-I73 HydrophobicContact CD1-CD1 4.01Å; L69-I73 HydrophobicContact CD1-CG1 4.28Å; L69-I73 HydrophobicContact CG-CD1 3.86Å; L69-I73 VanDerWaalsContact O-CG1 3.28Å; L69-I73 WeakPolarHBondContact O-CG1 3.36Å; L69-I73 PolarHBondContact O-N 3.25Å; S70-I73 PolarHBondContact O-N 3.46Å; I73-I75 VanDerWaalsContact C-N 3.35Å; I73-I75 PolarHBondContact O-N 2.89Å; I73-A76 PolarHBondContact O-N 3.47Å; I73-L77 HydrophobicContact CG2-CD1 3.86Å; I73-L77 HydrophobicContact CG2-CG 4.25Å; I73-L77 WeakPolarHBondContact O-CB 3.28Å; I73-L77 VanDerWaalsContact O-CG 3.3Å; I73-L77 WeakPolarHBondContact O-CG 3.41Å; I73-L77 PolarHBondContact O-N 3.49Å
74	T	96.7	Very high	92.5	Very high	70 Å²	70	88 Å²	88	43%	0.429	50%	0.504	S	S	.	.	H	α-helix	trans	-60.5	-45	177.1	-58.1	0	0	0	0	111.2	S70 T71 L77 I78	S70-T74 WeakPolarHBondContact O-CB 3.44Å; S70-T74 PolarHBondContact O-N 2.91Å; S70-T74 PolarHBondContact O-OG1 2.89Å; T71-T74 PolarHBondContact O-N 2.91Å; T74-L77 PolarHBondContact O-N 3.48Å; T74-I78 HydrophobicContact CG2-CD1 3.94Å; T74-I78 VanDerWaalsContact O-CG1 3.24Å; T74-I78 WeakPolarHBondContact O-CG1 3.24Å; T74-I78 PolarHBondContact O-N 2.9Å
75	I	96.2	Very high	91.2	Very high	93 Å²	93	92.1 Å²	92.1	48%	0.477	52%	0.517	S	S	.	.	H	α-helix	trans	-61.3	-48.3	175.8	-69.5	165.9	0	0	0	110.1	T71 A72 I73 L77 I78 F79	T71-I75 WeakPolarHBondContact O-CB 3.3Å; T71-I75 WeakPolarHBondContact O-CG1 3.41Å; T71-I75 PolarHBondContact O-N 2.86Å; A72-I75 PolarHBondContact O-N 3.35Å; I73-I75 VanDerWaalsContact C-N 3.35Å; I73-I75 PolarHBondContact O-N 2.89Å; I75-L77 VanDerWaalsContact C-N 3.32Å; I75-L77 PolarHBondContact O-N 2.93Å; I75-I78 PolarHBondContact O-N 3.4Å; I75-I78 VanDerWaalsContact O-N 3.16Å; I75-F79 HydrophobicContact CG2-CD2 3.59Å; I75-F79 HydrophobicContact CG2-CE2 3.62Å; I75-F79 VanDerWaalsContact O-CD2 3.31Å; I75-F79 WeakPolarHBondContact O-CD2 3.22Å; I75-F79 PolarHBondContact O-N 2.9Å
76	A	94.6	Very high	89.7	Confident	57 Å²	57	92.8 Å²	92.8	47%	0.471	52%	0.519	S	S	.	.	H	α-helix	trans	-60.5	-39.9	178.6	0	0	0	0	0	112.5	A72 I73 F79 S80	A72-A76 WeakPolarHBondContact O-CB 3.43Å; A72-A76 PolarHBondContact O-N 2.8Å; I73-A76 PolarHBondContact O-N 3.47Å; A76-F79 PolarHBondContact O-N 3.33Å; A76-S80 WeakPolarHBondContact O-CB 3.44Å; A76-S80 PolarHBondContact O-N 3.27Å
77	L	93.6	Very high	88	Confident	99 Å²	99	97.5 Å²	97.5	52%	0.518	54%	0.535	S	S	.	.	H	α-helix	trans	-65.7	-41.8	174.6	-73.4	172.9	0	0	0	111.6	I73 T74 I75 S80 I81	I73-L77 HydrophobicContact CG2-CD1 3.86Å; I73-L77 HydrophobicContact CG2-CG 4.25Å; I73-L77 WeakPolarHBondContact O-CB 3.28Å; I73-L77 VanDerWaalsContact O-CG 3.3Å; I73-L77 WeakPolarHBondContact O-CG 3.41Å; I73-L77 PolarHBondContact O-N 3.49Å; T74-L77 PolarHBondContact O-N 3.48Å; I75-L77 VanDerWaalsContact C-N 3.32Å; I75-L77 PolarHBondContact O-N 2.93Å; L77-S80 CarbonylContact O-C 3.58Å; L77-S80 PolarHBondContact O-N 2.76Å; L77-I81 WeakPolarHBondContact O-CB 3.36Å; L77-I81 WeakPolarHBondContact O-CD1 3.21Å; L77-I81 WeakPolarHBondContact O-CG1 3.33Å; L77-I81 PolarHBondContact O-N 2.93Å
78	I	93.1	Very high	86.6	Confident	85 Å²	85	99.2 Å²	99.2	44%	0.436	55%	0.546	S	S	.	.	H	α-helix	trans	-61.3	-47.4	174.7	-69.9	165.7	0	0	0	110.3	T74 I75 S80 I81 I82	T74-I78 HydrophobicContact CG2-CD1 3.94Å; T74-I78 VanDerWaalsContact O-CG1 3.24Å; T74-I78 WeakPolarHBondContact O-CG1 3.24Å; T74-I78 PolarHBondContact O-N 2.9Å; I75-I78 PolarHBondContact O-N 3.4Å; I75-I78 VanDerWaalsContact O-N 3.16Å; I78-S80 VanDerWaalsContact C-N 3.3Å; I78-S80 PolarHBondContact O-N 3.24Å; I78-I81 PolarHBondContact O-N 3.44Å; I78-I82 HydrophobicContact CG2-CD1 3.59Å; I78-I82 HydrophobicContact CG2-CG1 4.37Å; I78-I82 WeakPolarHBondContact O-CB 3.49Å; I78-I82 VanDerWaalsContact O-CG1 3.31Å; I78-I82 WeakPolarHBondContact O-CG1 3.21Å; I78-I82 PolarHBondContact O-N 2.99Å
79	F	91.3	Very high	85.3	Confident	121 Å²	121	99.8 Å²	99.8	53%	0.531	55%	0.549	S	S	.	.	H	α-helix	trans	-60.3	-41.1	175	-88.6	-81.8	0	0	0	111.6	I75 A76 I82 F83	I75-F79 HydrophobicContact CG2-CD2 3.59Å; I75-F79 HydrophobicContact CG2-CE2 3.62Å; I75-F79 VanDerWaalsContact O-CD2 3.31Å; I75-F79 WeakPolarHBondContact O-CD2 3.22Å; I75-F79 PolarHBondContact O-N 2.9Å; A76-F79 PolarHBondContact O-N 3.33Å; F79-I82 PolarHBondContact O-N 3.21Å; F79-F83 AromaticContact CD1-CD2 3.57Å; F79-F83 HydrophobicContact CD1-CD2 3.57Å; F79-F83 AromaticContact CD1-CE2 3.62Å; F79-F83 HydrophobicContact CD1-CE2 3.62Å; F79-F83 HydrophobicContact CE1-CD2 4.22Å; F79-F83 AromaticContact CE1-CE2 3.82Å; F79-F83 HydrophobicContact CE1-CE2 3.82Å; F79-F83 HydrophobicContact CG-CD2 4.44Å; F79-F83 WeakPolarHBondContact O-CB 3.42Å; F79-F83 PolarHBondContact O-N 3.46Å
80	S	88.2	Confident	84.5	Confident	72 Å²	72	97.2 Å²	97.2	50%	0.503	54%	0.539	S	S	.	.	H	α-helix	trans	-68.8	-32.1	177.5	-170.8	0	0	0	0	113	A76 L77 I78 G84	A76-S80 WeakPolarHBondContact O-CB 3.44Å; A76-S80 PolarHBondContact O-N 3.27Å; L77-S80 CarbonylContact O-C 3.58Å; L77-S80 PolarHBondContact O-N 2.76Å; I78-S80 VanDerWaalsContact C-N 3.3Å; I78-S80 PolarHBondContact O-N 3.24Å; S80-G84 WeakPolarHBondContact O-CA 3.33Å; S80-G84 PolarHBondContact O-N 3.42Å
81	I	84.1	Confident	84	Confident	139 Å²	139	97.2 Å²	97.2	71%	0.713	53%	0.532	S	S	*	.	H	α-helix	trans	-74.3	-39.8	176.3	-71.2	164.2	0	0	0	110.6	L77 I78	L77-I81 WeakPolarHBondContact O-CB 3.36Å; L77-I81 WeakPolarHBondContact O-CD1 3.21Å; L77-I81 WeakPolarHBondContact O-CG1 3.33Å; L77-I81 PolarHBondContact O-N 2.93Å; I78-I81 PolarHBondContact O-N 3.44Å
82	I	83.2	Confident	83.8	Confident	109 Å²	109	93.8 Å²	93.8	56%	0.559	51%	0.511	S	S	*	.	H	α-helix	trans	-79.8	-42.1	-176.8	-64.6	173.9	0	0	0	111.9	I78 F79	I78-I82 HydrophobicContact CG2-CD1 3.59Å; I78-I82 HydrophobicContact CG2-CG1 4.37Å; I78-I82 WeakPolarHBondContact O-CB 3.49Å; I78-I82 VanDerWaalsContact O-CG1 3.31Å; I78-I82 WeakPolarHBondContact O-CG1 3.21Å; I78-I82 PolarHBondContact O-N 2.99Å; F79-I82 PolarHBondContact O-N 3.21Å
83	F	82.8	Confident	83.6	Confident	153 Å²	153	91.4 Å²	91.4	67%	0.671	49%	0.491	S	S	*	.	H	α-helix	trans	-115.6	-9.1	-171.8	-57.1	-76.7	0	0	0	114.2	F79	F79-F83 AromaticContact CD1-CD2 3.57Å; F79-F83 HydrophobicContact CD1-CD2 3.57Å; F79-F83 AromaticContact CD1-CE2 3.62Å; F79-F83 HydrophobicContact CD1-CE2 3.62Å; F79-F83 HydrophobicContact CE1-CD2 4.22Å; F79-F83 AromaticContact CE1-CE2 3.82Å; F79-F83 HydrophobicContact CE1-CE2 3.82Å; F79-F83 HydrophobicContact CG-CD2 4.44Å; F79-F83 WeakPolarHBondContact O-CB 3.42Å; F79-F83 PolarHBondContact O-N 3.46Å
84	G	75.1	Confident	83.5	Confident	30 Å²	30	87.3 Å²	87.3	31%	0.309	47%	0.47	S	S	.	.	S	Bend	trans	-69.5	161.6	176.1	0	0	0	0	0	111.8	S80	S80-G84 WeakPolarHBondContact O-CA 3.33Å; S80-G84 PolarHBondContact O-N 3.42Å
85	K	67.6	Low	83.3	Confident	196 Å²	196	84 Å²	84	85%	0.852	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-60	130.4	170.9	-67.1	-177.7	-179.5	178.8	0	108.1	Q87	K85-Q87 PolarHBondContact O-N 2.88Å
86	P	61.9	Low	83.2	Confident	85 Å²	85	79.6 Å²	79.6	55%	0.552	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-59.7	132.5	180	24.7	-32.8	0	0	0	109.1	V88	P86-V88 PolarHBondContact O-N 2.91Å
87	Q	62.3	Low	82.9	Confident	191 Å²	191	77.1 Å²	77.1	89%	0.893	41%	0.406	S	S	*	.	S	Bend	trans	-63.2	-24.4	179.2	-67.7	-71.4	-28.2	0	0	111.7	K85	K85-Q87 PolarHBondContact O-N 2.88Å
88	V	65.7	Low	82.8	Confident	115 Å²	115	72.6 Å²	72.6	70%	0.697	38%	0.382	S	S	*	.	S	Bend	trans	-119.3	115.4	172.6	-175.2	0	0	0	0	107.5	P86 P90	P86-V88 PolarHBondContact O-N 2.91Å; V88-P90 WeakPolarHBondContact O-CD 3.31Å
89	V	70.4	Confident	82.7	Confident	97 Å²	97	70.5 Å²	70.5	59%	0.588	37%	0.372	S	S	*	.			trans	-61.1	123.5	175.5	-178.2	0	0	0	0	107.8	Q91	V89-Q91 PolarHBondContact O-N 3.36Å
90	P	79.5	Confident	82.9	Confident	55 Å²	55	67.3 Å²	67.3	36%	0.357	36%	0.36	S	S	.	.			trans	-57.9	128.5	175.6	-24.1	34.2	0	0	0	109.8	V88 F681	V88-P90 WeakPolarHBondContact O-CD 3.31Å; P90-F681 HydrophobicContact CB-CE2 4.14Å; P90-F681 WeakPolarHBondContact O-CD2 3.19Å; P90-F681 WeakPolarHBondContact O-CE2 3.46Å
91	Q	86.4	Confident	83.2	Confident	67 Å²	67	63.9 Å²	63.9	31%	0.313	34%	0.336	S	S	.	.			trans	-117.1	146.4	175.4	-66.8	176.6	-3.6	0	0	108.9	V89 D450 S451 W659 M664 F681	V89-Q91 PolarHBondContact O-N 3.36Å; Q91-D450 CarbonylContact O-C 3.53Å; Q91-S451 WeakPolarHBondContact O-CA 3.49Å; Q91-S451 WeakPolarHBondContact O-CB 3.34Å; Q91-S451 PolarHBondContact O-N 3.03Å; Q91-W659 HydrophobicContact CB-CH2 4.05Å; Q91-M664 HydrophobicContact CB-CE 3.64Å; Q91-F681 VanDerWaalsContact CA-O 3.28Å; Q91-F681 WeakPolarHBondContact CA-O 3.48Å
92	G	92.3	Very high	83.8	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	158.4	168.9	0	0	0	0	0	111.3	T449 T680 F681	G92-T449 CarbonylContact C-O 3.56Å; G92-T449 VanDerWaalsContact CA-O 3.26Å; G92-T449 WeakPolarHBondContact CA-O 3.35Å; G92-T680 WeakPolarHBondContact O-CA 3.15Å; G92-F681 VanDerWaalsContact CA-CE1 3.41Å; G92-F681 PolarHBondContact N-O 3.37Å; G92-F681 VanDerWaalsContact O-CD1 3.29Å; G92-F681 WeakPolarHBondContact O-CD1 3.2Å; G92-F681 PolarHBondContact O-N 2.63Å; G92-F681 VanDerWaalsContact O-N 3.09Å
93	A	94	Very high	84.3	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	151.4	175.3	0	0	0	0	0	114.2	T448 T449 I657 M664 Y679 T680	A93-T448 CarbonylContact O-C 3.6Å; A93-T448 VanDerWaalsContact O-CA 3.3Å; A93-T448 WeakPolarHBondContact O-CA 3.47Å; A93-T449 HydrophobicContact CB-CG2 4.5Å; A93-T449 PolarHBondContact N-O 3.37Å; A93-T449 PolarHBondContact O-N 2.97Å; A93-I657 HydrophobicContact CB-CD1 3.75Å; A93-I657 HydrophobicContact CB-CG1 4.4Å; A93-I657 HydrophobicContact CB-CG2 3.93Å; A93-M664 HydrophobicContact CB-CE 4.23Å; A93-M664 HydrophobicContact CB-SD 3.32Å; A93-M664 WeakPolarHBondContact CB-SD 3.46Å; A93-Y679 CarbonylContact C-O 3.58Å; A93-Y679 WeakPolarHBondContact CA-O 3.46Å; A93-Y679 VanDerWaalsContact CB-O 3.29Å; A93-Y679 WeakPolarHBondContact CB-O 3.35Å; A93-T680 HydrophobicContact CB-CG2 3.83Å
94	V	95	Very high	85	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	131.6	175.5	-177	0	0	0	0	108.6	V96 M109 V123 V447 T448 Y679	V94-V96 HydrophobicContact CG1-CG1 4Å; V94-M109 HydrophobicContact CG2-CE 3.41Å; V94-M109 VanDerWaalsContact CG2-CE 3.41Å; V94-V123 HydrophobicContact CG1-CG2 3.95Å; V94-V447 CarbonylContact C-O 3.59Å; V94-V447 WeakPolarHBondContact CA-O 3.33Å; V94-T448 HydrophobicContact CB-CG2 4.49Å; V94-T448 HydrophobicContact CG1-CG2 4.17Å; V94-T448 HydrophobicContact CG2-CG2 4.07Å; V94-Y679 PolarHBondContact N-O 3.35Å; V94-Y679 PolarHBondContact O-N 3.27Å
95	A	92.9	Very high	86	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	122.3	169.8	0	0	0	0	0	108.2	I446 V447 F655 I657 T677 L678	A95-I446 WeakPolarHBondContact O-CA 3.48Å; A95-V447 HydrophobicContact CB-CB 4.4Å; A95-V447 PolarHBondContact N-O 3.11Å; A95-V447 PolarHBondContact O-N 2.99Å; A95-F655 HydrophobicContact CB-CB 3.84Å; A95-F655 HydrophobicContact CB-CG 4.45Å; A95-I657 HydrophobicContact CB-CD1 3.34Å; A95-I657 HydrophobicContact CB-CG1 3.84Å; A95-T677 WeakPolarHBondContact CA-O 3.42Å; A95-L678 HydrophobicContact CB-CD2 3.72Å
96	V	93	Very high	87.3	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	140.4	-179.3	59.4	0	0	0	0	109.2	V94 D98 G102 V123 L127 I446 T677	V94-V96 HydrophobicContact CG1-CG1 4Å; V96-D98 HydrophobicContact CG2-CB 4.38Å; V96-D98 PolarHBondContact O-N 2.83Å; V96-G102 VanDerWaalsContact CG1-CA 3.41Å; V96-V123 HydrophobicContact CB-CG1 4.17Å; V96-V123 HydrophobicContact CG1-CG1 4.26Å; V96-V123 HydrophobicContact CG2-CG1 3.87Å; V96-L127 HydrophobicContact CG2-CD1 3.84Å; V96-L127 HydrophobicContact CG2-CD2 3.94Å; V96-L127 HydrophobicContact CG2-CG 4.3Å; V96-I446 HydrophobicContact CB-CG1 4.41Å; V96-I446 HydrophobicContact CB-CG2 4.43Å; V96-I446 HydrophobicContact CG2-CG1 3.98Å; V96-T677 PolarHBondContact N-O 2.97Å; V96-T677 WeakPolarHBondContact O-CG2 3.21Å
97	D	88.8	Confident	88.9	Confident	6 Å²	6	38.6 Å²	38.6	3%	0.032	21%	0.205	C	C	.	.	S	Bend	trans	-77.1	53.2	174.2	-177.6	35.3	0	0	0	112.2	R131 S222 I525 F655 S672 N674	D97-R131 PolarHBondContact O-NH1 2.91Å; D97-R131 IonicContact OD2-CZ 2.64Å; D97-R131 IonicContact OD2-NH1 3.76Å; D97-R131 PolarHBondContact OD2-NH1 3.38Å; D97-S222 PolarHBondContact OD2-OG 3.37Å; D97-I525 HydrophobicContact CB-CD1 4.17Å; D97-F655 HydrophobicContact CB-CE2 4.21Å; D97-F655 HydrophobicContact CB-CZ 4.01Å; D97-S672 PolarHBondContact OD1-OG 3.19Å; D97-S672 VanDerWaalsContact OD1-OG 3.13Å; D97-N674 PolarHBondContact O-ND2 2.66Å; D97-N674 PolarHBondContact OD1-ND2 3.33Å
98	D	91.5	Very high	90.6	Very high	4 Å²	4	30 Å²	30	2%	0.021	17%	0.165	C	C	.	.			trans	-160.7	121.2	171.7	-173.7	-78.5	0	0	0	111	V96 L100 C101 G102 L127 T130 R131	V96-D98 HydrophobicContact CG2-CB 4.38Å; V96-D98 PolarHBondContact O-N 2.83Å; D98-L100 VanDerWaalsContact C-N 3.34Å; D98-L100 PolarHBondContact O-N 2.89Å; D98-L100 WeakPolarHBondContact OD1-CB 2.95Å; D98-L100 PolarHBondContact OD1-N 2.73Å; D98-C101 HydrophobicContact CB-CB 4.04Å; D98-C101 PolarHBondContact OD1-N 3.22Å; D98-C101 PolarHBondContact OD1-SG 3.32Å; D98-G102 PolarHBondContact O-N 2.71Å; D98-L127 HydrophobicContact CB-CD2 3.6Å; D98-T130 WeakPolarHBondContact OD2-CB 3.39Å; D98-T130 PolarHBondContact OD2-OG1 3.27Å; D98-R131 HydrophobicContact CB-CG 4.38Å
99	D	91.4	Very high	92	Very high	40 Å²	40	25 Å²	25	21%	0.214	13%	0.134	C	C	.	.	H	α-helix	trans	-69.7	-32.6	-170.5	-88.7	18.8	0	0	0	113.6	Q103 N674 Y679	D99-Q103 VanDerWaalsContact O-CG 3.3Å; D99-Q103 WeakPolarHBondContact O-CG 3.07Å; D99-Q103 PolarHBondContact O-N 3.26Å; D99-Q103 PolarHBondContact O-NE2 2.76Å; D99-N674 WeakPolarHBondContact OD1-CB 2.99Å; D99-Y679 WeakPolarHBondContact CA-OH 3.14Å; D99-Y679 WeakPolarHBondContact CB-OH 3.25Å; D99-Y679 PolarHBondContact O-OH 2.75Å; D99-Y679 PolarHBondContact OD1-OH 3.28Å
100	L	94.3	Very high	93.1	Very high	54 Å²	54	25.1 Å²	25.1	28%	0.283	12%	0.124	S	C	.	.	H	α-helix	trans	-76.7	-44.3	-178.4	-64.1	170.1	0	0	0	109.7	D98 Q103 I104 T130 L212 F217	D98-L100 VanDerWaalsContact C-N 3.34Å; D98-L100 PolarHBondContact O-N 2.89Å; D98-L100 WeakPolarHBondContact OD1-CB 2.95Å; D98-L100 PolarHBondContact OD1-N 2.73Å; L100-Q103 PolarHBondContact O-N 3.38Å; L100-I104 WeakPolarHBondContact O-CG1 3.16Å; L100-I104 PolarHBondContact O-N 2.67Å; L100-T130 HydrophobicContact CB-CG2 4.46Å; L100-T130 HydrophobicContact CD1-CG2 4.24Å; L100-L212 HydrophobicContact CB-CD1 4.18Å; L100-L212 HydrophobicContact CD1-CD1 4.49Å; L100-L212 HydrophobicContact CD1-CD2 3.99Å; L100-F217 HydrophobicContact CD1-CB 3.83Å; L100-F217 HydrophobicContact CD1-CD2 3.73Å; L100-F217 HydrophobicContact CD1-CG 3.83Å
101	C	96.1	Very high	93.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-69.6	-37.3	-179.5	-56.9	0	0	0	0	112.2	D98 Q103 I104 G105 V123 C126 L127 T130	D98-C101 HydrophobicContact CB-CB 4.04Å; D98-C101 PolarHBondContact OD1-N 3.22Å; D98-C101 PolarHBondContact OD1-SG 3.32Å; C101-Q103 VanDerWaalsContact C-N 3.34Å; C101-Q103 PolarHBondContact O-N 3.25Å; C101-I104 PolarHBondContact O-N 3.35Å; C101-G105 PolarHBondContact O-N 3.23Å; C101-V123 HydrophobicContact CB-CG1 4.17Å; C101-V123 WeakPolarHBondContact O-CG2 3.32Å; C101-C126 WeakPolarHBondContact CA-SG 3.31Å; C101-C126 HydrophobicContact CB-CB 3.69Å; C101-C126 WeakPolarHBondContact CB-SG 3.46Å; C101-C126 WeakPolarHBondContact SG-CB 3.44Å; C101-C126 CovalentContact SG-SG 2.04Å; C101-C126 PolarHBondContact SG-SG 2.99Å; C101-L127 HydrophobicContact CB-CD2 4.28Å; C101-L127 HydrophobicContact CB-CG 4.28Å; C101-L127 PolarHBondContact SG-N 3.13Å; C101-L127 VanDerWaalsContact SG-N 3.35Å; C101-T130 PolarHBondContact SG-OG1 2.97Å
102	G	94.8	Very high	94.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.9	-40.6	174.4	0	0	0	0	0	112.9	V96 D98 G105 L106 Y679	V96-G102 VanDerWaalsContact CG1-CA 3.41Å; D98-G102 PolarHBondContact O-N 2.71Å; G102-G105 PolarHBondContact O-N 3.4Å; G102-L106 WeakPolarHBondContact O-CB 3.1Å; G102-L106 PolarHBondContact O-N 3.43Å; G102-Y679 VanDerWaalsContact CA-CD2 3.49Å; G102-Y679 VanDerWaalsContact CA-CE2 3.5Å
103	Q	94.9	Very high	94.2	Very high	86 Å²	86	36.3 Å²	36.3	40%	0.402	17%	0.172	S	C	.	.	H	α-helix	trans	-65	-43	173.2	-72.5	173.5	59.3	0	0	112.4	D99 L100 C101 G105 L106 N107 Y679	D99-Q103 VanDerWaalsContact O-CG 3.3Å; D99-Q103 WeakPolarHBondContact O-CG 3.07Å; D99-Q103 PolarHBondContact O-N 3.26Å; D99-Q103 PolarHBondContact O-NE2 2.76Å; L100-Q103 PolarHBondContact O-N 3.38Å; C101-Q103 VanDerWaalsContact C-N 3.34Å; C101-Q103 PolarHBondContact O-N 3.25Å; Q103-G105 PolarHBondContact O-N 2.83Å; Q103-L106 WeakPolarHBondContact O-CB 3.41Å; Q103-L106 PolarHBondContact O-N 2.87Å; Q103-N107 WeakPolarHBondContact O-CB 3.49Å; Q103-N107 VanDerWaalsContact O-CG 3.25Å; Q103-N107 PolarHBondContact O-N 2.87Å; Q103-N107 PolarHBondContact O-OD1 3.14Å; Q103-Y679 HydrophobicContact CG-CD1 4.04Å; Q103-Y679 HydrophobicContact CG-CE1 3.48Å; Q103-Y679 VanDerWaalsContact CG-CE1 3.48Å
104	I	96.8	Very high	94.3	Very high	30 Å²	30	36.7 Å²	36.7	15%	0.154	18%	0.176	C	C	.	.	H	α-helix	trans	-57.9	-49.1	175.3	-75	164.8	0	0	0	110.3	L100 C101 L106 N107 I108 C126 L212	L100-I104 WeakPolarHBondContact O-CG1 3.16Å; L100-I104 PolarHBondContact O-N 2.67Å; C101-I104 PolarHBondContact O-N 3.35Å; I104-L106 VanDerWaalsContact C-N 3.29Å; I104-L106 PolarHBondContact O-N 3.16Å; I104-N107 PolarHBondContact O-N 2.81Å; I104-I108 WeakPolarHBondContact O-CG1 3.46Å; I104-I108 PolarHBondContact O-N 3.22Å; I104-C126 HydrophobicContact CD1-CB 4.08Å; I104-L212 HydrophobicContact CD1-CD1 3.73Å; I104-L212 HydrophobicContact CD1-CG 4.46Å
105	G	97	Very high	94.3	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.2	-38.6	177.5	0	0	0	0	0	113	C101 G102 Q103 M109 A119	C101-G105 PolarHBondContact O-N 3.23Å; G102-G105 PolarHBondContact O-N 3.4Å; Q103-G105 PolarHBondContact O-N 2.83Å; G105-M109 PolarHBondContact O-N 3.2Å; G105-A119 WeakPolarHBondContact O-CB 3.41Å
106	L	94.6	Very high	94.6	Very high	12 Å²	12	38 Å²	38	6%	0.063	18%	0.183	C	C	.	.	H	α-helix	trans	-64.8	-44.7	176	-159.6	72.6	0	0	0	111.9	G102 Q103 I104 I108 M109 R110 F681	G102-L106 WeakPolarHBondContact O-CB 3.1Å; G102-L106 PolarHBondContact O-N 3.43Å; Q103-L106 WeakPolarHBondContact O-CB 3.41Å; Q103-L106 PolarHBondContact O-N 2.87Å; I104-L106 VanDerWaalsContact C-N 3.29Å; I104-L106 PolarHBondContact O-N 3.16Å; L106-I108 VanDerWaalsContact C-N 3.33Å; L106-I108 PolarHBondContact O-N 3.42Å; L106-M109 PolarHBondContact O-N 3.33Å; L106-R110 VanDerWaalsContact O-CB 3.24Å; L106-R110 WeakPolarHBondContact O-CB 3.32Å; L106-R110 PolarHBondContact O-N 3.13Å; L106-F681 HydrophobicContact CD1-CD1 3.45Å; L106-F681 VanDerWaalsContact CD1-CD1 3.45Å; L106-F681 HydrophobicContact CD1-CE1 4.07Å; L106-F681 HydrophobicContact CD1-CG 4.46Å; L106-F681 HydrophobicContact CG-CD1 3.98Å
107	N	96.3	Very high	94.8	Very high	53 Å²	53	38.1 Å²	38.1	28%	0.283	18%	0.184	S	C	.	.	H	α-helix	trans	-65.7	-37	-179.5	-69	-8.2	0	0	0	111.4	Q103 I104 M109 R110 E111 N112	Q103-N107 WeakPolarHBondContact O-CB 3.49Å; Q103-N107 VanDerWaalsContact O-CG 3.25Å; Q103-N107 PolarHBondContact O-N 2.87Å; Q103-N107 PolarHBondContact O-OD1 3.14Å; I104-N107 PolarHBondContact O-N 2.81Å; N107-M109 VanDerWaalsContact C-N 3.29Å; N107-M109 PolarHBondContact O-N 3.27Å; N107-R110 PolarHBondContact O-N 3.06Å; N107-E111 HydrophobicContact CB-CG 4.48Å; N107-E111 WeakPolarHBondContact O-CA 3.5Å; N107-E111 WeakPolarHBondContact O-CB 3.44Å; N107-E111 PolarHBondContact O-N 3.46Å; N107-N112 PolarHBondContact O-N 2.96Å; N107-N112 PolarHBondContact O-OD1 2.58Å
108	I	97.2	Very high	95.3	Very high	10 Å²	10	37.8 Å²	37.8	5%	0.051	18%	0.182	C	C	.	.	H	α-helix	trans	-55.4	-45.1	173.3	-70.9	-68.9	0	0	0	111.4	I104 L106 N112 K113 G114 D118 A119 L200 L205	I104-I108 WeakPolarHBondContact O-CG1 3.46Å; I104-I108 PolarHBondContact O-N 3.22Å; L106-I108 VanDerWaalsContact C-N 3.33Å; L106-I108 PolarHBondContact O-N 3.42Å; I108-N112 CarbonylContact O-C 3.41Å; I108-N112 WeakPolarHBondContact O-CB 3.02Å; I108-K113 PolarHBondContact O-N 3.1Å; I108-K113 VanDerWaalsContact O-N 3.17Å; I108-G114 PolarHBondContact O-N 2.93Å; I108-D118 HydrophobicContact CG2-CB 3.75Å; I108-A119 HydrophobicContact CG2-CB 4.33Å; I108-L200 HydrophobicContact CD1-CD1 4.35Å; I108-L200 HydrophobicContact CG2-CD1 3.95Å; I108-L205 HydrophobicContact CD1-CD2 4.21Å
109	M	95.3	Very high	95.6	Very high	11 Å²	11	37.6 Å²	37.6	5%	0.054	18%	0.181	C	C	.	.	H	α-helix	trans	-76.2	-43.9	177.8	-67.8	-176.3	-73	0	0	112.6	V94 G105 L106 N107 G114 A119 D450 F681	V94-M109 HydrophobicContact CG2-CE 3.41Å; V94-M109 VanDerWaalsContact CG2-CE 3.41Å; G105-M109 PolarHBondContact O-N 3.2Å; L106-M109 PolarHBondContact O-N 3.33Å; N107-M109 VanDerWaalsContact C-N 3.29Å; N107-M109 PolarHBondContact O-N 3.27Å; M109-G114 WeakPolarHBondContact CA-O 3.43Å; M109-A119 HydrophobicContact CE-CB 4.02Å; M109-A119 HydrophobicContact CG-CB 3.85Å; M109-A119 HydrophobicContact SD-CB 4.07Å; M109-D450 HydrophobicContact SD-CB 4.21Å; M109-F681 HydrophobicContact CB-CE1 3.78Å; M109-F681 HydrophobicContact CB-CZ 3.87Å; M109-F681 HydrophobicContact CE-CE1 4.49Å
110	R	93.2	Very high	95.9	Very high	100 Å²	100	35.8 Å²	35.8	38%	0.377	17%	0.171	S	C	.	.	H	α-helix	trans	-76	-48.8	-171.5	-174.2	-170.3	-78.4	169	-10.8	112.3	L106 N107 K113 F681	L106-R110 VanDerWaalsContact O-CB 3.24Å; L106-R110 WeakPolarHBondContact O-CB 3.32Å; L106-R110 PolarHBondContact O-N 3.13Å; N107-R110 PolarHBondContact O-N 3.06Å; R110-K113 PolarHBondContact O-NZ 3.3Å; R110-F681 HydrophobicContact CB-CD1 4.33Å; R110-F681 HydrophobicContact CB-CD2 4.29Å; R110-F681 HydrophobicContact CB-CE1 4.08Å; R110-F681 HydrophobicContact CB-CE2 4.06Å; R110-F681 HydrophobicContact CB-CG 4.4Å; R110-F681 HydrophobicContact CB-CZ 3.93Å; R110-F681 HydrophobicContact CG-CD2 4.07Å; R110-F681 HydrophobicContact CG-CE2 4.15Å; R110-F681 HydrophobicContact CG-CG 4.39Å; R110-F681 VanDerWaalsContact NE-CB 3.29Å
111	E	93	Very high	96.2	Very high	128 Å²	128	33.2 Å²	33.2	60%	0.598	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-53.7	-171.9	-57.4	-175	165	0	0	111.1	N107 K113	N107-E111 HydrophobicContact CB-CG 4.48Å; N107-E111 WeakPolarHBondContact O-CA 3.5Å; N107-E111 WeakPolarHBondContact O-CB 3.44Å; N107-E111 PolarHBondContact O-N 3.46Å; E111-K113 VanDerWaalsContact C-N 3.26Å; E111-K113 PolarHBondContact O-N 3.01Å
112	N	94.2	Very high	96.3	Very high	82 Å²	82	33.2 Å²	33.2	44%	0.439	16%	0.158	S	C	.	.	S	Bend	trans	-77.7	-10.7	-177.5	-56	83	0	0	0	113.6	N107 I108 G114 L200	N107-N112 PolarHBondContact O-N 2.96Å; N107-N112 PolarHBondContact O-OD1 2.58Å; I108-N112 CarbonylContact O-C 3.41Å; I108-N112 WeakPolarHBondContact O-CB 3.02Å; N112-G114 PolarHBondContact O-N 3.36Å; N112-L200 HydrophobicContact CB-CD1 3.8Å; N112-L200 WeakPolarHBondContact O-CD2 3.37Å
113	K	93.5	Very high	96.5	Very high	146 Å²	146	33.2 Å²	33.2	64%	0.635	16%	0.158	S	C	*	.			trans	61.5	29.4	-177.7	-48.8	-57	-177.6	-167.7	0	113.7	I108 R110 E111	I108-K113 PolarHBondContact O-N 3.1Å; I108-K113 VanDerWaalsContact O-N 3.17Å; R110-K113 PolarHBondContact O-NZ 3.3Å; E111-K113 VanDerWaalsContact C-N 3.26Å; E111-K113 PolarHBondContact O-N 3.01Å
114	G	96.3	Very high	96.7	Very high	9 Å²	9	29.1 Å²	29.1	9%	0.093	14%	0.139	C	C	.	.			trans	-72.4	167.1	168.8	0	0	0	0	0	112.2	I108 M109 N112 D118	I108-G114 PolarHBondContact O-N 2.93Å; M109-G114 WeakPolarHBondContact CA-O 3.43Å; N112-G114 PolarHBondContact O-N 3.36Å; G114-D118 WeakPolarHBondContact CA-OD2 3.49Å
115	N	96.4	Very high	96.7	Very high	28 Å²	28	27.8 Å²	27.8	15%	0.15	13%	0.132	C	C	.	.			trans	-96.1	-176.8	177.1	68.3	32.6	0	0	0	112.4	V117 D118 A119 F197 D450	N115-V117 PolarHBondContact O-N 2.04Å; N115-V117 WeakPolarHBondContact OD1-CA 3.14Å; N115-V117 WeakPolarHBondContact OD1-CB 3.36Å; N115-V117 PolarHBondContact OD1-N 3.17Å; N115-D118 PolarHBondContact N-OD2 2.84Å; N115-D118 PolarHBondContact O-N 3.21Å; N115-D118 PolarHBondContact OD1-N 3.27Å; N115-D118 PolarHBondContact OD1-OD2 2.92Å; N115-A119 PolarHBondContact O-N 3.01Å; N115-A119 VanDerWaalsContact O-N 3.07Å; N115-F197 PolarHBondContact ND2-O 2.92Å; N115-D450 WeakPolarHBondContact CB-OD2 3.31Å
116	A	97.3	Very high	96.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.2	-31.2	180	0	0	0	0	0	113.9	M120 T448 D450 F454 V456	A116-M120 WeakPolarHBondContact O-CB 3.48Å; A116-M120 PolarHBondContact O-N 3.06Å; A116-T448 PolarHBondContact O-OG1 3.1Å; A116-D450 HydrophobicContact CB-CB 4.27Å; A116-D450 PolarHBondContact N-OD2 2.9Å; A116-F454 HydrophobicContact CB-CD1 4.13Å; A116-F454 WeakPolarHBondContact CB-O 3.33Å; A116-V456 HydrophobicContact CB-CG2 3.83Å
117	V	98.2	Very high	97	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-73.8	-41.7	176.7	169.5	0	0	0	0	111.1	N115 A119 M120 V121 V145 M193 F197 F454 V456	N115-V117 PolarHBondContact O-N 2.04Å; N115-V117 WeakPolarHBondContact OD1-CA 3.14Å; N115-V117 WeakPolarHBondContact OD1-CB 3.36Å; N115-V117 PolarHBondContact OD1-N 3.17Å; V117-A119 VanDerWaalsContact C-N 3.29Å; V117-A119 PolarHBondContact O-N 2.97Å; V117-M120 WeakPolarHBondContact O-CB 3.32Å; V117-M120 PolarHBondContact O-N 3.39Å; V117-V121 HydrophobicContact CG1-CG2 4.4Å; V117-V121 WeakPolarHBondContact O-CG2 3.45Å; V117-V121 PolarHBondContact O-N 3.34Å; V117-V145 HydrophobicContact CG2-CG1 4.36Å; V117-V145 HydrophobicContact CG2-CG2 4.13Å; V117-M193 HydrophobicContact CG1-CB 4.45Å; V117-F197 HydrophobicContact CB-CB 4.13Å; V117-F197 HydrophobicContact CG1-CB 4.12Å; V117-F197 HydrophobicContact CG2-CB 3.77Å; V117-F454 HydrophobicContact CB-CE1 4.3Å; V117-F454 HydrophobicContact CG2-CD1 4.4Å; V117-F454 HydrophobicContact CG2-CE1 3.5Å; V117-F454 HydrophobicContact CG2-CZ 3.96Å; V117-V456 HydrophobicContact CB-CG2 4.47Å; V117-V456 HydrophobicContact CG2-CG2 3.53Å
118	D	98.6	Very high	97.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-57.8	-45.6	174.6	-62.5	-50.5	0	0	0	110.6	I108 G114 N115 V121 S122 H194 G198 S199 L200 L205	I108-D118 HydrophobicContact CG2-CB 3.75Å; G114-D118 WeakPolarHBondContact CA-OD2 3.49Å; N115-D118 PolarHBondContact N-OD2 2.84Å; N115-D118 PolarHBondContact O-N 3.21Å; N115-D118 PolarHBondContact OD1-N 3.27Å; N115-D118 PolarHBondContact OD1-OD2 2.92Å; D118-V121 PolarHBondContact O-N 3.09Å; D118-S122 PolarHBondContact O-N 3.24Å; D118-H194 IonicContact OD1-CD2 3.04Å; D118-H194 IonicContact OD1-NE2 2.7Å; D118-G198 WeakPolarHBondContact OD1-CA 3.36Å; D118-S199 PolarHBondContact OD1-N 3.45Å; D118-S199 WeakPolarHBondContact OD2-CB 3.47Å; D118-S199 PolarHBondContact OD2-N 3.34Å; D118-S199 PolarHBondContact OD2-OG 3.47Å; D118-L200 HydrophobicContact CB-CD1 4.27Å; D118-L200 HydrophobicContact CB-CG 4.37Å; D118-L200 PolarHBondContact OD1-N 3.29Å; D118-L205 HydrophobicContact CB-CD2 3.87Å
119	A	98.5	Very high	97.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.9	-45.4	175	0	0	0	0	0	112.4	G105 I108 M109 N115 V117 V121 S122 V123 T448	G105-A119 WeakPolarHBondContact O-CB 3.41Å; I108-A119 HydrophobicContact CG2-CB 4.33Å; M109-A119 HydrophobicContact CE-CB 4.02Å; M109-A119 HydrophobicContact CG-CB 3.85Å; M109-A119 HydrophobicContact SD-CB 4.07Å; N115-A119 PolarHBondContact O-N 3.01Å; N115-A119 VanDerWaalsContact O-N 3.07Å; V117-A119 VanDerWaalsContact C-N 3.29Å; V117-A119 PolarHBondContact O-N 2.97Å; A119-V121 VanDerWaalsContact C-N 3.34Å; A119-V121 PolarHBondContact O-N 2.81Å; A119-S122 PolarHBondContact O-N 3.45Å; A119-V123 WeakPolarHBondContact O-CB 3.15Å; A119-V123 WeakPolarHBondContact O-CG2 3.45Å; A119-V123 PolarHBondContact O-N 3.41Å; A119-T448 HydrophobicContact CB-CG2 4.13Å
120	M	98.5	Very high	97.2	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-57.5	-46.5	177.9	180	62.3	78.6	0	0	111.6	A116 V117 V123 M124 I446 T448 V456	A116-M120 WeakPolarHBondContact O-CB 3.48Å; A116-M120 PolarHBondContact O-N 3.06Å; V117-M120 WeakPolarHBondContact O-CB 3.32Å; V117-M120 PolarHBondContact O-N 3.39Å; M120-V123 PolarHBondContact O-N 3.11Å; M120-M124 HydrophobicContact CG-CE 3.91Å; M120-M124 HydrophobicContact CG-SD 4.21Å; M120-M124 WeakPolarHBondContact O-CG 3.45Å; M120-M124 PolarHBondContact O-N 2.96Å; M120-M124 HydrophobicContact SD-CE 3.4Å; M120-M124 WeakPolarHBondContact SD-CE 3.42Å; M120-M124 HydrophobicContact SD-CG 4.34Å; M120-M124 HydrophobicContact SD-SD 4.23Å; M120-I446 HydrophobicContact CE-CB 3.93Å; M120-I446 HydrophobicContact CE-CG2 3.76Å; M120-I446 WeakPolarHBondContact CE-O 3.24Å; M120-I446 HydrophobicContact SD-CB 3.63Å; M120-I446 HydrophobicContact SD-CG1 4.48Å; M120-I446 HydrophobicContact SD-CG2 3.47Å; M120-I446 WeakPolarHBondContact SD-CG2 3.37Å; M120-T448 HydrophobicContact CB-CG2 4.29Å; M120-T448 HydrophobicContact CE-CG2 4.25Å; M120-V456 HydrophobicContact CB-CB 4.42Å; M120-V456 HydrophobicContact CB-CG1 4.06Å; M120-V456 HydrophobicContact CE-CB 3.86Å; M120-V456 HydrophobicContact CE-CG1 3.61Å; M120-V456 WeakPolarHBondContact CE-O 3.07Å; M120-V456 HydrophobicContact CG-CG1 3.82Å
121	V	98.8	Very high	97.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.3	-47.6	179.7	171.1	0	0	0	0	111.1	V117 D118 A119 V123 M124 L125 L190 H194 W202 L205	V117-V121 HydrophobicContact CG1-CG2 4.4Å; V117-V121 WeakPolarHBondContact O-CG2 3.45Å; V117-V121 PolarHBondContact O-N 3.34Å; D118-V121 PolarHBondContact O-N 3.09Å; A119-V121 VanDerWaalsContact C-N 3.34Å; A119-V121 PolarHBondContact O-N 2.81Å; V121-V123 VanDerWaalsContact C-N 3.34Å; V121-V123 PolarHBondContact O-N 3.29Å; V121-M124 PolarHBondContact O-N 3.07Å; V121-L125 HydrophobicContact CG1-CD1 3.99Å; V121-L125 WeakPolarHBondContact O-CG 3.36Å; V121-L125 PolarHBondContact O-N 2.94Å; V121-L190 HydrophobicContact CG1-CB 4.31Å; V121-L190 HydrophobicContact CG1-CD1 4.42Å; V121-L190 HydrophobicContact CG2-CB 4.48Å; V121-L190 HydrophobicContact CG2-CD2 4.29Å; V121-H194 HydrophobicContact CG2-CB 4.4Å; V121-W202 HydrophobicContact CG1-CZ3 4.06Å; V121-L205 HydrophobicContact CB-CD1 3.99Å; V121-L205 HydrophobicContact CG1-CB 4.3Å; V121-L205 HydrophobicContact CG1-CD1 3.66Å
122	S	98.8	Very high	97.4	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.007	7%	0.07	C	C	.	.	H	α-helix	trans	-63.1	-38	177.6	-73	0	0	0	0	113.1	D118 A119 L125 C126 L205	D118-S122 PolarHBondContact O-N 3.24Å; A119-S122 PolarHBondContact O-N 3.45Å; S122-L125 PolarHBondContact O-N 3.33Å; S122-C126 WeakPolarHBondContact O-CB 2.91Å; S122-C126 PolarHBondContact O-N 2.93Å; S122-L205 VanDerWaalsContact OG-CA 3.26Å; S122-L205 WeakPolarHBondContact OG-CA 3.4Å; S122-L205 WeakPolarHBondContact OG-CB 3.49Å; S122-L205 PolarHBondContact OG-O 2.94Å
123	V	98.6	Very high	97.4	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-63	-48.1	175.1	172	0	0	0	0	110.3	V94 V96 C101 A119 M120 V121 L125 C126 L127 I446	V94-V123 HydrophobicContact CG1-CG2 3.95Å; V96-V123 HydrophobicContact CB-CG1 4.17Å; V96-V123 HydrophobicContact CG1-CG1 4.26Å; V96-V123 HydrophobicContact CG2-CG1 3.87Å; C101-V123 HydrophobicContact CB-CG1 4.17Å; C101-V123 WeakPolarHBondContact O-CG2 3.32Å; A119-V123 WeakPolarHBondContact O-CB 3.15Å; A119-V123 WeakPolarHBondContact O-CG2 3.45Å; A119-V123 PolarHBondContact O-N 3.41Å; M120-V123 PolarHBondContact O-N 3.11Å; V121-V123 VanDerWaalsContact C-N 3.34Å; V121-V123 PolarHBondContact O-N 3.29Å; V123-L125 VanDerWaalsContact C-N 3.34Å; V123-L125 PolarHBondContact O-N 3.11Å; V123-C126 WeakPolarHBondContact O-CB 3.48Å; V123-C126 PolarHBondContact O-N 2.79Å; V123-L127 HydrophobicContact CG1-CD1 3.97Å; V123-L127 HydrophobicContact CG1-CG 4.34Å; V123-L127 WeakPolarHBondContact O-CG 3.21Å; V123-L127 PolarHBondContact O-N 2.92Å; V123-I446 HydrophobicContact CB-CG2 4.4Å; V123-I446 HydrophobicContact CG1-CG1 3.98Å; V123-I446 HydrophobicContact CG1-CG2 3.8Å
124	M	98.7	Very high	97.5	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-64	-36.8	179.7	-71.6	178.9	174	0	0	112.7	M120 V121 L127 A128 V143 L186 L190 I446 I460	M120-M124 HydrophobicContact CG-CE 3.91Å; M120-M124 HydrophobicContact CG-SD 4.21Å; M120-M124 WeakPolarHBondContact O-CG 3.45Å; M120-M124 PolarHBondContact O-N 2.96Å; M120-M124 HydrophobicContact SD-CE 3.4Å; M120-M124 WeakPolarHBondContact SD-CE 3.42Å; M120-M124 HydrophobicContact SD-CG 4.34Å; M120-M124 HydrophobicContact SD-SD 4.23Å; V121-M124 PolarHBondContact O-N 3.07Å; M124-L127 PolarHBondContact O-N 3.2Å; M124-A128 PolarHBondContact O-N 3.12Å; M124-V143 HydrophobicContact CE-CG2 3.65Å; M124-L186 HydrophobicContact SD-CD1 4.46Å; M124-L190 HydrophobicContact CB-CD1 4.31Å; M124-L190 HydrophobicContact CB-CD2 4.06Å; M124-L190 HydrophobicContact CG-CD2 4.41Å; M124-L190 HydrophobicContact SD-CD2 3.47Å; M124-L190 WeakPolarHBondContact SD-CD2 3.04Å; M124-I446 HydrophobicContact CE-CD1 4.04Å; M124-I446 HydrophobicContact CG-CD1 4.17Å; M124-I460 HydrophobicContact CE-CG2 3.72Å; M124-I460 HydrophobicContact CG-CD1 4.37Å; M124-I460 HydrophobicContact CG-CG2 3.86Å; M124-I460 HydrophobicContact SD-CG2 3.67Å
125	L	98.8	Very high	97.5	Very high	2 Å²	2	3.2 Å²	3.2	1%	0.01	2%	0.018	C	C	.	.	H	α-helix	trans	-65.6	-40.6	173.1	-71	168.8	0	0	0	112	V121 S122 V123 A128 L137 L190 L205 F206 A209 L263	V121-L125 HydrophobicContact CG1-CD1 3.99Å; V121-L125 WeakPolarHBondContact O-CG 3.36Å; V121-L125 PolarHBondContact O-N 2.94Å; S122-L125 PolarHBondContact O-N 3.33Å; V123-L125 VanDerWaalsContact C-N 3.34Å; V123-L125 PolarHBondContact O-N 3.11Å; L125-A128 PolarHBondContact O-N 2.81Å; L125-L137 HydrophobicContact CD2-CD2 4.26Å; L125-L190 HydrophobicContact CD2-CD1 3.92Å; L125-L190 HydrophobicContact CG-CD1 4Å; L125-L205 HydrophobicContact CD1-CB 4.45Å; L125-F206 HydrophobicContact CD1-CD1 4.06Å; L125-F206 HydrophobicContact CD1-CD2 3.71Å; L125-F206 HydrophobicContact CD1-CE1 3.95Å; L125-F206 HydrophobicContact CD1-CE2 3.55Å; L125-F206 HydrophobicContact CD1-CG 3.94Å; L125-F206 HydrophobicContact CD1-CZ 3.69Å; L125-F206 HydrophobicContact CD2-CD1 4.25Å; L125-F206 HydrophobicContact CD2-CE1 3.62Å; L125-F206 HydrophobicContact CD2-CE2 4.47Å; L125-F206 HydrophobicContact CD2-CZ 3.75Å; L125-F206 HydrophobicContact CG-CE1 4.43Å; L125-F206 HydrophobicContact CG-CZ 4.39Å; L125-A209 HydrophobicContact CB-CB 4.14Å; L125-L263 HydrophobicContact CD2-CD2 4.39Å
126	C	98.5	Very high	97.6	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-63.9	-43.9	174.8	171.5	0	0	0	0	111.7	C101 I104 S122 V123 A128 V129 T130 L212	C101-C126 WeakPolarHBondContact CA-SG 3.31Å; C101-C126 HydrophobicContact CB-CB 3.69Å; C101-C126 WeakPolarHBondContact CB-SG 3.46Å; C101-C126 WeakPolarHBondContact SG-CB 3.44Å; C101-C126 CovalentContact SG-SG 2.04Å; C101-C126 PolarHBondContact SG-SG 2.99Å; I104-C126 HydrophobicContact CD1-CB 4.08Å; S122-C126 WeakPolarHBondContact O-CB 2.91Å; S122-C126 PolarHBondContact O-N 2.93Å; V123-C126 WeakPolarHBondContact O-CB 3.48Å; V123-C126 PolarHBondContact O-N 2.79Å; C126-A128 VanDerWaalsContact C-N 3.26Å; C126-A128 PolarHBondContact O-N 2.87Å; C126-V129 WeakPolarHBondContact O-CA 3.37Å; C126-V129 VanDerWaalsContact O-CB 3.31Å; C126-V129 WeakPolarHBondContact O-CB 3.34Å; C126-V129 PolarHBondContact O-N 3.36Å; C126-T130 PolarHBondContact O-N 3.02Å; C126-T130 PolarHBondContact O-OG1 2.91Å; C126-L212 VanDerWaalsContact SG-CD1 3.58Å
127	L	98	Very high	97.7	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-61.3	-34.7	179.1	-71.9	169.7	0	0	0	112.1	V96 D98 C101 V123 M124 V129 T130 R131 A135 T444 I446 I460	V96-L127 HydrophobicContact CG2-CD1 3.84Å; V96-L127 HydrophobicContact CG2-CD2 3.94Å; V96-L127 HydrophobicContact CG2-CG 4.3Å; D98-L127 HydrophobicContact CB-CD2 3.6Å; C101-L127 HydrophobicContact CB-CD2 4.28Å; C101-L127 HydrophobicContact CB-CG 4.28Å; C101-L127 PolarHBondContact SG-N 3.13Å; C101-L127 VanDerWaalsContact SG-N 3.35Å; V123-L127 HydrophobicContact CG1-CD1 3.97Å; V123-L127 HydrophobicContact CG1-CG 4.34Å; V123-L127 WeakPolarHBondContact O-CG 3.21Å; V123-L127 PolarHBondContact O-N 2.92Å; M124-L127 PolarHBondContact O-N 3.2Å; L127-V129 PolarHBondContact O-N 3.22Å; L127-T130 PolarHBondContact O-N 3.34Å; L127-R131 HydrophobicContact CD2-CB 4.14Å; L127-R131 HydrophobicContact CD2-CG 3.68Å; L127-R131 CarbonylContact O-C 3.55Å; L127-R131 WeakPolarHBondContact O-CA 3.31Å; L127-R131 WeakPolarHBondContact O-CB 3.42Å; L127-R131 PolarHBondContact O-N 2.83Å; L127-A135 HydrophobicContact CB-CB 3.86Å; L127-T444 HydrophobicContact CD1-CG2 4.01Å; L127-I446 HydrophobicContact CD1-CD1 3.75Å; L127-I446 HydrophobicContact CD1-CG1 3.82Å; L127-I460 HydrophobicContact CB-CD1 3.91Å; L127-I460 HydrophobicContact CD1-CD1 3.71Å; L127-I460 HydrophobicContact CG-CD1 4.49Å
128	A	98.1	Very high	97.7	Very high	6 Å²	6	2 Å²	2	5%	0.05	1%	0.011	C	C	.	.	H	α-helix	trans	-62.2	-13.2	173.1	0	0	0	0	0	113.8	M124 L125 C126 L137	M124-A128 PolarHBondContact O-N 3.12Å; L125-A128 PolarHBondContact O-N 2.81Å; C126-A128 VanDerWaalsContact C-N 3.26Å; C126-A128 PolarHBondContact O-N 2.87Å; A128-L137 HydrophobicContact CB-CD2 4.3Å; A128-L137 HydrophobicContact CB-CG 4.42Å
129	V	98.1	Very high	97.7	Very high	1 Å²	1	2 Å²	2	1%	0.006	1%	0.012	C	C	.	.	H	α-helix	trans	-102.2	-46.7	174.3	179.5	0	0	0	0	111.3	C126 L127 A209 L212 T213 F217 P255 L259 L263	C126-V129 WeakPolarHBondContact O-CA 3.37Å; C126-V129 VanDerWaalsContact O-CB 3.31Å; C126-V129 WeakPolarHBondContact O-CB 3.34Å; C126-V129 PolarHBondContact O-N 3.36Å; L127-V129 PolarHBondContact O-N 3.22Å; V129-A209 HydrophobicContact CG2-CB 4.16Å; V129-L212 HydrophobicContact CG1-CB 4.14Å; V129-T213 HydrophobicContact CB-CG2 4.45Å; V129-T213 HydrophobicContact CG1-CG2 3.7Å; V129-T213 HydrophobicContact CG2-CG2 3.81Å; V129-F217 HydrophobicContact CG1-CE1 4.06Å; V129-F217 HydrophobicContact CG1-CZ 4.48Å; V129-P255 HydrophobicContact CG1-CB 4.09Å; V129-P255 HydrophobicContact CG1-CG 3.52Å; V129-L259 HydrophobicContact CG2-CD2 4.17Å; V129-L263 HydrophobicContact CG2-CD1 3.68Å
130	T	96.5	Very high	97.6	Very high	1 Å²	1	2 Å²	2	1%	0.006	1%	0.012	C	C	.	.	H	α-helix	trans	-87.7	-19	-171.9	67.3	0	0	0	0	114.4	D98 L100 C101 C126 L127 L212 F217 L223	D98-T130 WeakPolarHBondContact OD2-CB 3.39Å; D98-T130 PolarHBondContact OD2-OG1 3.27Å; L100-T130 HydrophobicContact CB-CG2 4.46Å; L100-T130 HydrophobicContact CD1-CG2 4.24Å; C101-T130 PolarHBondContact SG-OG1 2.97Å; C126-T130 PolarHBondContact O-N 3.02Å; C126-T130 PolarHBondContact O-OG1 2.91Å; L127-T130 PolarHBondContact O-N 3.34Å; T130-L212 HydrophobicContact CG2-CD1 3.68Å; T130-F217 HydrophobicContact CG2-CE1 4.38Å; T130-F217 HydrophobicContact CG2-CE2 4.06Å; T130-F217 HydrophobicContact CG2-CZ 3.93Å; T130-L223 WeakPolarHBondContact O-CD2 2.95Å
131	R	95.6	Very high	97.6	Very high	11 Å²	11	2 Å²	2	4%	0.042	1%	0.012	C	C	.	.			trans	-134.2	60.1	-173.8	-68	-61.8	-56.3	-90.9	1.7	111.7	D97 D98 L127 D133 V134 A135 S220	D97-R131 PolarHBondContact O-NH1 2.91Å; D97-R131 IonicContact OD2-CZ 2.64Å; D97-R131 IonicContact OD2-NH1 3.76Å; D97-R131 PolarHBondContact OD2-NH1 3.38Å; D98-R131 HydrophobicContact CB-CG 4.38Å; L127-R131 HydrophobicContact CD2-CB 4.14Å; L127-R131 HydrophobicContact CD2-CG 3.68Å; L127-R131 CarbonylContact O-C 3.55Å; L127-R131 WeakPolarHBondContact O-CA 3.31Å; L127-R131 WeakPolarHBondContact O-CB 3.42Å; L127-R131 PolarHBondContact O-N 2.83Å; R131-D133 VanDerWaalsContact CA-OD1 3.25Å; R131-D133 WeakPolarHBondContact CA-OD1 3.29Å; R131-D133 IonicContact CZ-OD1 3.77Å; R131-D133 IonicContact CZ-OD2 2.95Å; R131-D133 IonicContact NE-OD1 2.62Å; R131-D133 PolarHBondContact NE-OD1 3.5Å; R131-D133 IonicContact NE-OD2 2.95Å; R131-D133 PolarHBondContact NE-OD2 3.03Å; R131-D133 IonicContact NH2-OD1 2.68Å; R131-D133 IonicContact NH2-OD2 3.81Å; R131-D133 PolarHBondContact NH2-OD2 2.87Å; R131-D133 PolarHBondContact O-N 3.17Å; R131-V134 HydrophobicContact CB-CG2 3.7Å; R131-V134 HydrophobicContact CG-CG2 4.44Å; R131-V134 PolarHBondContact O-N 2.97Å; R131-A135 PolarHBondContact O-N 2.83Å; R131-S220 WeakPolarHBondContact CD-OG 3.31Å
132	P	95.9	Very high	97.6	Very high	3 Å²	3	2 Å²	2	2%	0.019	1%	0.012	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-10.3	178.7	29.1	-36.8	0	0	0	113.7	L223 F466	P132-L223 HydrophobicContact CG-CD1 4.01Å; P132-L223 HydrophobicContact CG-CD2 4.46Å; P132-F466 HydrophobicContact CB-CD1 4.49Å; P132-F466 HydrophobicContact CB-CE1 4.38Å; P132-F466 HydrophobicContact CG-CE1 4.13Å
133	D	94.2	Very high	97.6	Very high	4 Å²	4	2 Å²	2	2%	0.021	1%	0.012	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-34.8	171.1	61.3	-46.6	0	0	0	112.5	R131 L223 A226 P465 F466	R131-D133 VanDerWaalsContact CA-OD1 3.25Å; R131-D133 WeakPolarHBondContact CA-OD1 3.29Å; R131-D133 IonicContact CZ-OD1 3.77Å; R131-D133 IonicContact CZ-OD2 2.95Å; R131-D133 IonicContact NE-OD1 2.62Å; R131-D133 PolarHBondContact NE-OD1 3.5Å; R131-D133 IonicContact NE-OD2 2.95Å; R131-D133 PolarHBondContact NE-OD2 3.03Å; R131-D133 IonicContact NH2-OD1 2.68Å; R131-D133 IonicContact NH2-OD2 3.81Å; R131-D133 PolarHBondContact NH2-OD2 2.87Å; R131-D133 PolarHBondContact O-N 3.17Å; D133-L223 HydrophobicContact CB-CD1 3.88Å; D133-L223 WeakPolarHBondContact OD1-CD1 3.4Å; D133-A226 HydrophobicContact CB-CB 3.81Å; D133-P465 CarbonylContact O-C 3.3Å; D133-P465 WeakPolarHBondContact O-CA 3.44Å; D133-F466 HydrophobicContact CB-CD2 3.89Å; D133-F466 HydrophobicContact CB-CE1 4.35Å; D133-F466 HydrophobicContact CB-CE2 3.53Å; D133-F466 HydrophobicContact CB-CG 4.48Å; D133-F466 HydrophobicContact CB-CZ 3.79Å; D133-F466 PolarHBondContact O-N 2.86Å
134	V	95.2	Very high	97.6	Very high	7 Å²	7	2 Å²	2	4%	0.042	1%	0.012	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-13.2	-174.2	-64	0	0	0	0	114	R131 G442 D443 T444	R131-V134 HydrophobicContact CB-CG2 3.7Å; R131-V134 HydrophobicContact CG-CG2 4.44Å; R131-V134 PolarHBondContact O-N 2.97Å; V134-G442 WeakPolarHBondContact CA-O 3.4Å; V134-G442 VanDerWaalsContact O-O 3.12Å; V134-D443 WeakPolarHBondContact CG1-O 2.87Å; V134-T444 HydrophobicContact CB-CG2 4.32Å; V134-T444 HydrophobicContact CG2-CG2 3.71Å
135	A	97.6	Very high	97.6	Very high	2 Å²	2	2 Å²	2	2%	0.017	1%	0.012	C	C	.	.			trans	-137.3	137.2	-173.5	0	0	0	0	0	112.1	L127 R131 I460 M462	L127-A135 HydrophobicContact CB-CB 3.86Å; R131-A135 PolarHBondContact O-N 2.83Å; A135-I460 HydrophobicContact CB-CD1 3.45Å; A135-I460 VanDerWaalsContact CB-CD1 3.45Å; A135-I460 HydrophobicContact CB-CG1 4.22Å; A135-M462 VanDerWaalsContact C-SD 3.51Å
136	S	98	Very high	97.4	Very high	2 Å²	2	2.4 Å²	2.4	1%	0.014	1%	0.013	C	C	.	.			trans	-154.8	156.1	169	-169.4	0	0	0	0	110.6	G138 G139 L186 H478	S136-G138 PolarHBondContact O-N 2.7Å; S136-G138 VanDerWaalsContact O-N 3.11Å; S136-G138 PolarHBondContact OG-N 2.83Å; S136-G139 WeakPolarHBondContact O-CA 3.27Å; S136-G139 PolarHBondContact O-N 2.91Å; S136-L186 WeakPolarHBondContact O-CD2 3.16Å; S136-H478 WeakPolarHBondContact OG-CB 3.36Å; S136-H478 PolarHBondContact OG-N 2.71Å; S136-H478 VanDerWaalsContact OG-N 3.14Å; S136-H478 PolarHBondContact OG-O 3.2Å
137	L	98.5	Very high	97	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.018	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-23.8	167.3	-57.9	176.8	0	0	0	112.1	L125 A128 G139 V187 L259 T262 L263 L266 F274 V477	L125-L137 HydrophobicContact CD2-CD2 4.26Å; A128-L137 HydrophobicContact CB-CD2 4.3Å; A128-L137 HydrophobicContact CB-CG 4.42Å; L137-G139 VanDerWaalsContact C-N 3.3Å; L137-V187 HydrophobicContact CB-CG2 4.18Å; L137-V187 HydrophobicContact CD2-CG2 4.03Å; L137-L259 HydrophobicContact CD1-CD1 3.81Å; L137-L259 HydrophobicContact CG-CD1 4.43Å; L137-T262 HydrophobicContact CD1-CG2 3.69Å; L137-L263 HydrophobicContact CD1-CD2 4.05Å; L137-L263 HydrophobicContact CD1-CG 4.43Å; L137-L263 HydrophobicContact CD2-CD2 4.17Å; L137-L266 HydrophobicContact CD1-CD1 3.76Å; L137-L266 HydrophobicContact CD2-CD1 4.16Å; L137-F274 HydrophobicContact CB-CE2 4.29Å; L137-V477 HydrophobicContact CB-CG1 4.39Å; L137-V477 HydrophobicContact CB-CG2 4.15Å; L137-V477 HydrophobicContact CD1-CG2 4.33Å
138	G	98	Very high	96.3	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	0.3	174.6	0	0	0	0	0	114.7	S136 V477 H478 N480	S136-G138 PolarHBondContact O-N 2.7Å; S136-G138 VanDerWaalsContact O-N 3.11Å; S136-G138 PolarHBondContact OG-N 2.83Å; G138-V477 VanDerWaalsContact CA-CG1 3.5Å; G138-V477 VanDerWaalsContact N-CG1 3.34Å; G138-H478 WeakPolarHBondContact CA-O 3.46Å; G138-N480 WeakPolarHBondContact O-CB 3.2Å; G138-N480 PolarHBondContact O-ND2 3.48Å
139	G	98.2	Very high	95.4	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.01	6%	0.055	C	C	.	.			trans	-91.5	-162.2	-177.5	0	0	0	0	0	114	S136 L137 S185 L186	S136-G139 WeakPolarHBondContact O-CA 3.27Å; S136-G139 PolarHBondContact O-N 2.91Å; L137-G139 VanDerWaalsContact C-N 3.3Å; G139-S185 PolarHBondContact O-N 3.16Å; G139-L186 WeakPolarHBondContact O-CB 3.44Å; G139-L186 PolarHBondContact O-N 2.9Å
140	C	98.2	Very high	94.7	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.007	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	177	-174.4	-16.3	0	0	0	0	110.1	F158 C160 S185 I460 F461 M482	C140-F158 WeakPolarHBondContact CA-O 3.41Å; C140-F158 WeakPolarHBondContact CB-O 3.35Å; C140-C160 HydrophobicContact CB-CB 4.13Å; C140-C160 WeakPolarHBondContact CB-SG 3.46Å; C140-C160 WeakPolarHBondContact SG-CB 3.5Å; C140-C160 CovalentContact SG-SG 2.02Å; C140-C160 PolarHBondContact SG-SG 2.82Å; C140-S185 WeakPolarHBondContact CB-OG 3.36Å; C140-I460 WeakPolarHBondContact O-CA 3.28Å; C140-F461 HydrophobicContact CB-CD2 4.14Å; C140-F461 HydrophobicContact CB-CE2 3.78Å; C140-F461 HydrophobicContact CB-CZ 4.46Å; C140-F461 PolarHBondContact N-O 2.8Å; C140-F461 VanDerWaalsContact N-O 3.12Å; C140-F461 PolarHBondContact O-N 3.35Å; C140-F461 VanDerWaalsContact O-N 3.11Å; C140-M482 WeakPolarHBondContact SG-CG 3.48Å
141	G	98.3	Very high	94.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173	179.4	172.9	0	0	0	0	0	114.2	F158 T159 N459	G141-F158 VanDerWaalsContact N-CE2 3.29Å; G141-F158 PolarHBondContact N-O 2.82Å; G141-F158 CarbonylContact O-C 3.44Å; G141-F158 WeakPolarHBondContact O-CA 3.43Å; G141-F158 WeakPolarHBondContact O-CD2 3.45Å; G141-F158 VanDerWaalsContact O-CG 3.31Å; G141-F158 WeakPolarHBondContact O-CG 3.41Å; G141-F158 PolarHBondContact O-N 2.9Å; G141-T159 PolarHBondContact O-N 3.2Å; G141-N459 CarbonylContact C-O 3.49Å; G141-N459 WeakPolarHBondContact CA-O 3.23Å
142	A	98.6	Very high	93.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	133.2	177.3	0	0	0	0	0	109.5	F156 F325 L329 G458 N459	A142-F156 WeakPolarHBondContact CA-O 3.34Å; A142-F325 HydrophobicContact CB-CE1 4.2Å; A142-F325 HydrophobicContact CB-CE2 4.15Å; A142-F325 HydrophobicContact CB-CZ 3.92Å; A142-L329 HydrophobicContact CB-CD1 3.47Å; A142-L329 VanDerWaalsContact CB-CD1 3.47Å; A142-L329 HydrophobicContact CB-CD2 3.98Å; A142-L329 HydrophobicContact CB-CG 4.39Å; A142-G458 CarbonylContact O-C 3.53Å; A142-G458 WeakPolarHBondContact O-CA 3.46Å; A142-N459 PolarHBondContact N-O 3.46Å; A142-N459 PolarHBondContact O-N 3.46Å
143	V	98.7	Very high	93.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	126.2	-176.5	176.2	0	0	0	0	112.1	M124 V145 L155 F156 F158 M193 F325 V456 V457	M124-V143 HydrophobicContact CE-CG2 3.65Å; V143-V145 HydrophobicContact CG1-CG2 4.01Å; V143-L155 WeakPolarHBondContact O-CA 3.21Å; V143-F156 PolarHBondContact N-O 3.48Å; V143-F156 PolarHBondContact O-N 2.87Å; V143-F158 HydrophobicContact CB-CE1 4.16Å; V143-F158 HydrophobicContact CG2-CE1 3.76Å; V143-F158 HydrophobicContact CG2-CZ 3.75Å; V143-M193 HydrophobicContact CB-CE 4.35Å; V143-M193 HydrophobicContact CB-SD 3.39Å; V143-M193 WeakPolarHBondContact CB-SD 3.34Å; V143-M193 HydrophobicContact CG1-SD 3.52Å; V143-M193 VanDerWaalsContact CG1-SD 3.52Å; V143-M193 HydrophobicContact CG2-CE 3.9Å; V143-M193 HydrophobicContact CG2-SD 3.61Å; V143-F325 VanDerWaalsContact C-CZ 3.5Å; V143-F325 WeakPolarHBondContact O-CZ 3.26Å; V143-V456 HydrophobicContact CG1-CG1 3.29Å; V143-V457 CarbonylContact C-O 3.54Å; V143-V457 WeakPolarHBondContact CA-O 3.38Å
144	L	98.5	Very high	94	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	117.6	168.6	-174.1	161.1	0	0	0	108.7	R146 L155 E323 F325 V456 V457 Y508	L144-R146 HydrophobicContact CD2-CB 4.28Å; L144-L155 HydrophobicContact CB-CD1 4.37Å; L144-L155 HydrophobicContact CD1-CD1 4.01Å; L144-L155 HydrophobicContact CG-CD1 3.77Å; L144-L155 HydrophobicContact CG-CG 4.41Å; L144-E323 HydrophobicContact CD1-CB 4.5Å; L144-F325 HydrophobicContact CB-CE2 4Å; L144-V456 WeakPolarHBondContact O-CA 3.43Å; L144-V457 PolarHBondContact N-O 2.82Å; L144-V457 PolarHBondContact O-N 3.01Å; L144-Y508 HydrophobicContact CD2-CG 4.31Å
145	V	97.9	Very high	94.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	119.8	171.8	177.8	0	0	0	0	108.6	V117 V143 S153 H154 F156 F197 F454 V456	V117-V145 HydrophobicContact CG2-CG1 4.36Å; V117-V145 HydrophobicContact CG2-CG2 4.13Å; V143-V145 HydrophobicContact CG1-CG2 4.01Å; V145-S153 CarbonylContact O-C 3.57Å; V145-S153 WeakPolarHBondContact O-CA 3.34Å; V145-H154 HydrophobicContact CB-CB 4.34Å; V145-H154 PolarHBondContact N-O 3.03Å; V145-H154 PolarHBondContact O-N 3.34Å; V145-F156 HydrophobicContact CB-CE2 4.42Å; V145-F156 HydrophobicContact CG2-CD2 4.19Å; V145-F156 HydrophobicContact CG2-CE2 3.8Å; V145-F197 HydrophobicContact CB-CE2 4.35Å; V145-F197 HydrophobicContact CG1-CD2 4.16Å; V145-F197 HydrophobicContact CG1-CE2 4.14Å; V145-F197 HydrophobicContact CG2-CD2 4.31Å; V145-F197 HydrophobicContact CG2-CE2 4.47Å; V145-F454 HydrophobicContact CG1-CD2 4.19Å; V145-F454 HydrophobicContact CG1-CE1 4.2Å; V145-F454 HydrophobicContact CG1-CE2 3.25Å; V145-F454 HydrophobicContact CG1-CZ 3.25Å; V145-V456 HydrophobicContact CG2-CG1 4Å; V145-V456 HydrophobicContact CG2-CG2 4.35Å
146	R	95.6	Very high	94.2	Very high	11 Å²	11	26.3 Å²	26.3	4%	0.042	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	117	171.3	-175.3	78	176.6	-172	-5.8	110.7	L144 S153 E323 F454 T455 Y508	L144-R146 HydrophobicContact CD2-CB 4.28Å; R146-S153 WeakPolarHBondContact CD-OG 3.42Å; R146-S153 PolarHBondContact NH1-OG 2.86Å; R146-E323 IonicContact CZ-OE1 3.23Å; R146-E323 VanDerWaalsContact NH1-CD 3.33Å; R146-E323 IonicContact NH1-OE1 3.14Å; R146-E323 PolarHBondContact NH1-OE1 3.17Å; R146-E323 IonicContact NH1-OE2 2.75Å; R146-E323 PolarHBondContact NH1-OE2 3.32Å; R146-E323 VanDerWaalsContact NH1-OE2 3.17Å; R146-F454 VanDerWaalsContact O-CD2 3.3Å; R146-F454 WeakPolarHBondContact O-CD2 3.49Å; R146-T455 PolarHBondContact N-O 3.38Å; R146-T455 PolarHBondContact O-N 3.18Å; R146-Y508 HydrophobicContact CB-CD1 4.45Å; R146-Y508 HydrophobicContact CB-CD2 4.01Å; R146-Y508 HydrophobicContact CB-CE1 4.21Å; R146-Y508 HydrophobicContact CB-CE2 3.75Å; R146-Y508 HydrophobicContact CB-CG 4.34Å; R146-Y508 HydrophobicContact CG-CD1 4.18Å; R146-Y508 HydrophobicContact CG-CD2 4.45Å; R146-Y508 HydrophobicContact CG-CE1 3.6Å; R146-Y508 HydrophobicContact CG-CE2 3.92Å; R146-Y508 VanDerWaalsContact CG-CZ 3.45Å
147	D	90.4	Very high	94.2	Very high	18 Å²	18	26.2 Å²	26.2	10%	0.096	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	107.5	166.7	-172.7	-27.3	0	0	0	110.3	N149 K150 Q151 L152 F454	D147-N149 VanDerWaalsContact C-N 3.34Å; D147-N149 WeakPolarHBondContact OD1-CA 3.37Å; D147-N149 WeakPolarHBondContact OD1-CB 3.36Å; D147-N149 PolarHBondContact OD1-N 3.17Å; D147-K150 HydrophobicContact CB-CB 4.21Å; D147-K150 PolarHBondContact OD1-N 2.78Å; D147-K150 WeakPolarHBondContact OD2-CD 3.34Å; D147-K150 WeakPolarHBondContact OD2-CE 3.38Å; D147-K150 WeakPolarHBondContact OD2-CG 2.78Å; D147-Q151 WeakPolarHBondContact O-CA 3.36Å; D147-Q151 PolarHBondContact O-N 3.22Å; D147-L152 PolarHBondContact N-O 3.27Å; D147-L152 PolarHBondContact O-N 2.9Å; D147-F454 HydrophobicContact CB-CD2 4.31Å; D147-F454 HydrophobicContact CB-CE2 4.06Å
148	R	82	Confident	94.2	Very high	53 Å²	53	26.2 Å²	26.2	20%	0.2	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-33.1	177.9	-173.6	-127	-171.4	-92.4	-1.5	112.5	Q151 S453 K515	R148-Q151 PolarHBondContact O-NE2 2.86Å; R148-S453 WeakPolarHBondContact CB-O 3.45Å; R148-K515 PolarHBondContact NH2-O 3.49Å
149	N	80.2	Confident	94.2	Very high	119 Å²	119	26.2 Å²	26.2	64%	0.636	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-40.6	-178	-67.4	-27.3	0	0	0	110.4	D147	D147-N149 VanDerWaalsContact C-N 3.34Å; D147-N149 WeakPolarHBondContact OD1-CA 3.37Å; D147-N149 WeakPolarHBondContact OD1-CB 3.36Å; D147-N149 PolarHBondContact OD1-N 3.17Å
150	K	83.4	Confident	94.2	Very high	136 Å²	136	26.2 Å²	26.2	59%	0.591	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-14.1	177.3	-61.1	-178.6	-171.2	172.9	0	113.9	D147 L152	D147-K150 HydrophobicContact CB-CB 4.21Å; D147-K150 PolarHBondContact OD1-N 2.78Å; D147-K150 WeakPolarHBondContact OD2-CD 3.34Å; D147-K150 WeakPolarHBondContact OD2-CE 3.38Å; D147-K150 WeakPolarHBondContact OD2-CG 2.78Å; K150-L152 HydrophobicContact CB-CB 4.26Å; K150-L152 HydrophobicContact CB-CD1 4.09Å; K150-L152 HydrophobicContact CB-CG 4.11Å; K150-L152 PolarHBondContact O-N 2.96Å
151	Q	83.9	Confident	94.2	Very high	64 Å²	64	26.7 Å²	26.7	30%	0.299	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	35	-171.2	-62.7	-66.5	-43	0	0	112.6	D147 R148	D147-Q151 WeakPolarHBondContact O-CA 3.36Å; D147-Q151 PolarHBondContact O-N 3.22Å; R148-Q151 PolarHBondContact O-NE2 2.86Å
152	L	89.7	Confident	94.2	Very high	90 Å²	90	26.8 Å²	26.8	47%	0.471	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	143.8	-177.8	-67.2	176.9	0	0	0	110.6	D147 K150	D147-L152 PolarHBondContact N-O 3.27Å; D147-L152 PolarHBondContact O-N 2.9Å; K150-L152 HydrophobicContact CB-CB 4.26Å; K150-L152 HydrophobicContact CB-CD1 4.09Å; K150-L152 HydrophobicContact CB-CG 4.11Å; K150-L152 PolarHBondContact O-N 2.96Å
153	S	95	Very high	94.1	Very high	25 Å²	25	27.3 Å²	27.3	18%	0.175	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.9	168.5	-59.7	0	0	0	0	109.1	V145 R146 E323	V145-S153 CarbonylContact O-C 3.57Å; V145-S153 WeakPolarHBondContact O-CA 3.34Å; R146-S153 WeakPolarHBondContact CD-OG 3.42Å; R146-S153 PolarHBondContact NH1-OG 2.86Å; S153-E323 VanDerWaalsContact CB-OE2 3.23Å; S153-E323 WeakPolarHBondContact CB-OE2 3.46Å; S153-E323 PolarHBondContact OG-OE2 3.23Å
154	H	97.9	Very high	93.9	Very high	28 Å²	28	32.4 Å²	32.4	13%	0.13	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	116.2	177	-59.7	-69.8	0	0	0	108.3	V145 F156 R196 F197	V145-H154 HydrophobicContact CB-CB 4.34Å; V145-H154 PolarHBondContact N-O 3.03Å; V145-H154 PolarHBondContact O-N 3.34Å; H154-F156 HydrophobicContact CB-CE2 4.19Å; H154-R196 PolarHBondContact CE1-NH2 3.26Å; H154-R196 PolarHBondContact ND1-NH2 2.74Å; H154-F197 HydrophobicContact CB-CE2 3.96Å; H154-F197 HydrophobicContact CB-CZ 4.05Å; H154-F197 AromaticContact CD2-CZ 3.34Å; H154-F197 WeakPolarHBondContact CD2-CZ 3.42Å; H154-F197 AromaticContact CG-CZ 3.67Å; H154-F197 AromaticContact NE2-CZ 3.91Å
155	L	98.4	Very high	93.7	Very high	4 Å²	4	35 Å²	35	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	138	-179.6	-82.1	59.7	0	0	0	108.9	V143 L144 R309 P310 A312 F325	V143-L155 WeakPolarHBondContact O-CA 3.21Å; L144-L155 HydrophobicContact CB-CD1 4.37Å; L144-L155 HydrophobicContact CD1-CD1 4.01Å; L144-L155 HydrophobicContact CG-CD1 3.77Å; L144-L155 HydrophobicContact CG-CG 4.41Å; L155-R309 WeakPolarHBondContact O-CA 3.22Å; L155-P310 HydrophobicContact CB-CG 4.2Å; L155-P310 HydrophobicContact CD2-CG 4.28Å; L155-A312 HydrophobicContact CD1-CB 3.82Å; L155-A312 HydrophobicContact CD2-CB 4.11Å; L155-F325 HydrophobicContact CB-CD1 4.14Å; L155-F325 HydrophobicContact CB-CE1 3.57Å; L155-F325 HydrophobicContact CB-CZ 3.78Å; L155-F325 HydrophobicContact CD2-CB 4.28Å; L155-F325 HydrophobicContact CD2-CD1 3.64Å; L155-F325 HydrophobicContact CD2-CD2 4.04Å; L155-F325 HydrophobicContact CD2-CE1 3.91Å; L155-F325 HydrophobicContact CD2-CE2 4.28Å; L155-F325 HydrophobicContact CD2-CG 3.72Å; L155-F325 HydrophobicContact CD2-CZ 4.22Å; L155-F325 HydrophobicContact CG-CD1 4.03Å; L155-F325 HydrophobicContact CG-CD2 4.19Å; L155-F325 HydrophobicContact CG-CE1 3.76Å; L155-F325 HydrophobicContact CG-CE2 3.93Å; L155-F325 HydrophobicContact CG-CG 4.24Å; L155-F325 HydrophobicContact CG-CZ 3.7Å
156	F	98.6	Very high	93.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	106.4	171.6	-60	-94.6	0	0	0	107.1	A142 V143 V145 H154 F158 V192 M193 R196 F197 V307 R309	A142-F156 WeakPolarHBondContact CA-O 3.34Å; V143-F156 PolarHBondContact N-O 3.48Å; V143-F156 PolarHBondContact O-N 2.87Å; V145-F156 HydrophobicContact CB-CE2 4.42Å; V145-F156 HydrophobicContact CG2-CD2 4.19Å; V145-F156 HydrophobicContact CG2-CE2 3.8Å; H154-F156 HydrophobicContact CB-CE2 4.19Å; F156-F158 HydrophobicContact CB-CD1 4.11Å; F156-F158 HydrophobicContact CB-CE1 4.24Å; F156-F158 WeakPolarHBondContact O-CD1 3.43Å; F156-V192 HydrophobicContact CD1-CG1 4.12Å; F156-V192 HydrophobicContact CE1-CG1 3.99Å; F156-M193 HydrophobicContact CB-CG 3.93Å; F156-M193 HydrophobicContact CB-SD 4.11Å; F156-M193 HydrophobicContact CD1-CG 3.67Å; F156-M193 HydrophobicContact CD2-CG 3.62Å; F156-M193 HydrophobicContact CD2-SD 4.02Å; F156-M193 HydrophobicContact CE1-CG 3.93Å; F156-M193 HydrophobicContact CE2-CG 3.89Å; F156-M193 HydrophobicContact CG-CG 3.47Å; F156-M193 VanDerWaalsContact CG-CG 3.47Å; F156-M193 HydrophobicContact CG-SD 4.11Å; F156-M193 HydrophobicContact CZ-CG 4Å; F156-R196 HydrophobicContact CZ-CB 4.49Å; F156-F197 AromaticContact CE2-CD2 3.99Å; F156-F197 HydrophobicContact CE2-CD2 3.99Å; F156-F197 AromaticContact CE2-CE2 3.7Å; F156-F197 HydrophobicContact CE2-CE2 3.7Å; F156-F197 AromaticContact CZ-CD2 3.81Å; F156-F197 HydrophobicContact CZ-CD2 3.81Å; F156-F197 AromaticContact CZ-CE2 3.55Å; F156-F197 HydrophobicContact CZ-CE2 3.55Å; F156-V307 HydrophobicContact CB-CG1 4.16Å; F156-V307 HydrophobicContact CD1-CG1 4.32Å; F156-R309 HydrophobicContact CD1-CG 4.22Å
157	D	98.5	Very high	93.5	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	105.8	174.3	177.7	-10	0	0	0	107.5	T159 D308 F325 L329 R499	D157-T159 VanDerWaalsContact OD1-CB 3.26Å; D157-T159 WeakPolarHBondContact OD1-CB 3.26Å; D157-T159 WeakPolarHBondContact OD1-CG2 3.47Å; D157-T159 PolarHBondContact OD1-N 3.45Å; D157-T159 PolarHBondContact OD1-OG1 3.26Å; D157-D308 HydrophobicContact CB-CB 4.18Å; D157-D308 PolarHBondContact N-O 3.38Å; D157-D308 PolarHBondContact O-N 3.03Å; D157-F325 HydrophobicContact CB-CD1 4.32Å; D157-F325 HydrophobicContact CB-CE1 3.96Å; D157-L329 HydrophobicContact CB-CD1 4.31Å; D157-R499 IonicContact OD1-NH1 3.75Å; D157-R499 PolarHBondContact OD1-NH1 3.13Å; D157-R499 IonicContact OD2-CZ 3.84Å; D157-R499 IonicContact OD2-NH1 3.17Å; D157-R499 PolarHBondContact OD2-NH1 3.21Å
158	F	98.2	Very high	93.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	50	174.3	51.8	-85.6	0	0	0	109.9	C140 G141 V143 F156 S185 L186 M193 Y305 V307	C140-F158 WeakPolarHBondContact CA-O 3.41Å; C140-F158 WeakPolarHBondContact CB-O 3.35Å; G141-F158 VanDerWaalsContact N-CE2 3.29Å; G141-F158 PolarHBondContact N-O 2.82Å; G141-F158 CarbonylContact O-C 3.44Å; G141-F158 WeakPolarHBondContact O-CA 3.43Å; G141-F158 WeakPolarHBondContact O-CD2 3.45Å; G141-F158 VanDerWaalsContact O-CG 3.31Å; G141-F158 WeakPolarHBondContact O-CG 3.41Å; G141-F158 PolarHBondContact O-N 2.9Å; V143-F158 HydrophobicContact CB-CE1 4.16Å; V143-F158 HydrophobicContact CG2-CE1 3.76Å; V143-F158 HydrophobicContact CG2-CZ 3.75Å; F156-F158 HydrophobicContact CB-CD1 4.11Å; F156-F158 HydrophobicContact CB-CE1 4.24Å; F156-F158 WeakPolarHBondContact O-CD1 3.43Å; F158-S185 WeakPolarHBondContact O-CB 3.23Å; F158-S185 PolarHBondContact O-OG 3.11Å; F158-L186 HydrophobicContact CD2-CD1 4.47Å; F158-L186 HydrophobicContact CE2-CD1 3.71Å; F158-M193 HydrophobicContact CE1-CE 3.94Å; F158-M193 HydrophobicContact CE1-SD 4.08Å; F158-M193 HydrophobicContact CZ-CE 4.06Å; F158-Y305 WeakPolarHBondContact CA-OH 3.31Å; F158-V307 HydrophobicContact CB-CG1 4.19Å; F158-V307 HydrophobicContact CB-CG2 4.15Å; F158-V307 HydrophobicContact CD1-CG1 4.48Å
159	T	97.8	Very high	93.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.247	C	C	.	.			trans	-70.6	153	168.3	50.6	0	0	0	0	110.5	G141 D157 P161 Y305 L329 F461 R499 I502	G141-T159 PolarHBondContact O-N 3.2Å; D157-T159 VanDerWaalsContact OD1-CB 3.26Å; D157-T159 WeakPolarHBondContact OD1-CB 3.26Å; D157-T159 WeakPolarHBondContact OD1-CG2 3.47Å; D157-T159 PolarHBondContact OD1-N 3.45Å; D157-T159 PolarHBondContact OD1-OG1 3.26Å; T159-P161 WeakPolarHBondContact O-CD 3.16Å; T159-Y305 PolarHBondContact O-OH 3.41Å; T159-L329 HydrophobicContact CG2-CD1 4.26Å; T159-L329 HydrophobicContact CG2-CD2 4.03Å; T159-L329 HydrophobicContact CG2-CG 4.12Å; T159-F461 HydrophobicContact CG2-CE2 4.03Å; T159-F461 HydrophobicContact CG2-CZ 3.72Å; T159-R499 WeakPolarHBondContact OG1-CD 3.24Å; T159-I502 HydrophobicContact CG2-CD1 3.29Å
160	C	98.1	Very high	94.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.22	C	C	.	.			trans	-84.8	111.1	-176.1	-61.2	0	0	0	0	111.9	C140 I183 S185 M482	C140-C160 HydrophobicContact CB-CB 4.13Å; C140-C160 WeakPolarHBondContact CB-SG 3.46Å; C140-C160 WeakPolarHBondContact SG-CB 3.5Å; C140-C160 CovalentContact SG-SG 2.02Å; C140-C160 PolarHBondContact SG-SG 2.82Å; C160-I183 WeakPolarHBondContact CA-O 3.36Å; C160-I183 WeakPolarHBondContact CB-O 3.44Å; C160-I183 PolarHBondContact SG-O 3.36Å; C160-S185 PolarHBondContact SG-OG 2.93Å; C160-M482 HydrophobicContact CB-CB 4.2Å; C160-M482 HydrophobicContact CB-CG 3.91Å
161	P	97.9	Very high	94.9	Very high	12 Å²	12	40.1 Å²	40.1	8%	0.078	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-82	167.1	178.1	34.2	-37.9	0	0	0	112.7	T159 G182 I183 Y305 R499	T159-P161 WeakPolarHBondContact O-CD 3.16Å; P161-G182 CarbonylContact O-C 3.55Å; P161-G182 VanDerWaalsContact O-CA 3.29Å; P161-G182 WeakPolarHBondContact O-CA 3.28Å; P161-I183 HydrophobicContact CG-CB 4.13Å; P161-I183 HydrophobicContact CG-CD1 4.03Å; P161-I183 HydrophobicContact CG-CG1 4.45Å; P161-I183 PolarHBondContact O-N 2.88Å; P161-Y305 HydrophobicContact CG-CD2 3.8Å; P161-Y305 HydrophobicContact CG-CE2 3.77Å; P161-R499 HydrophobicContact CB-CG 3.68Å
162	V	97.9	Very high	95.4	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-64.2	143.6	160.7	-177.9	0	0	0	0	109.3	A166 L483 F486 F494 A495 G497 R498	V162-A166 HydrophobicContact CG1-CB 3.42Å; V162-A166 VanDerWaalsContact CG1-CB 3.42Å; V162-L483 HydrophobicContact CG2-CD1 4.26Å; V162-L483 HydrophobicContact CG2-CD2 3.83Å; V162-F486 HydrophobicContact CG2-CE2 3.42Å; V162-F486 VanDerWaalsContact CG2-CE2 3.42Å; V162-F486 HydrophobicContact CG2-CZ 3.73Å; V162-F494 HydrophobicContact CB-CE2 4.27Å; V162-F494 HydrophobicContact CG1-CD2 4.29Å; V162-F494 HydrophobicContact CG1-CE2 3.51Å; V162-F494 HydrophobicContact CG1-CZ 3.65Å; V162-F494 HydrophobicContact CG2-CD2 3.68Å; V162-F494 HydrophobicContact CG2-CE2 3.62Å; V162-F494 HydrophobicContact CG2-CZ 4.5Å; V162-A495 VanDerWaalsContact CB-O 3.25Å; V162-A495 WeakPolarHBondContact CB-O 3.49Å; V162-A495 WeakPolarHBondContact CG1-O 3.31Å; V162-A495 WeakPolarHBondContact CG2-O 3.1Å; V162-G497 VanDerWaalsContact O-CA 3.23Å; V162-G497 WeakPolarHBondContact O-CA 3.47Å; V162-G497 PolarHBondContact O-N 2.99Å; V162-G497 VanDerWaalsContact O-N 3.13Å; V162-R498 WeakPolarHBondContact CG2-O 3.48Å; V162-R498 PolarHBondContact N-O 2.92Å
163	R	96.5	Very high	95.5	Very high	11 Å²	11	37 Å²	37	4%	0.042	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-60	143.8	172.8	-65.9	-179.3	-74.6	114.8	-1.7	111.7	S165 A166 D170 I183 S295 Q296 W297 D301	R163-S165 PolarHBondContact NH1-OG 2.7Å; R163-S165 VanDerWaalsContact NH1-OG 3.09Å; R163-S165 PolarHBondContact O-N 3.49Å; R163-A166 HydrophobicContact CB-CB 4.33Å; R163-A166 WeakPolarHBondContact O-CB 3.36Å; R163-A166 PolarHBondContact O-N 2.87Å; R163-A166 VanDerWaalsContact O-N 3.11Å; R163-D170 IonicContact NH2-OD1 2.63Å; R163-D170 PolarHBondContact NH2-OD1 3.37Å; R163-D170 IonicContact NH2-OD2 2.82Å; R163-I183 HydrophobicContact CB-CD1 4.43Å; R163-I183 HydrophobicContact CG-CD1 4.03Å; R163-I183 HydrophobicContact CG-CG1 3.72Å; R163-S295 PolarHBondContact NH2-OG 2.92Å; R163-Q296 PolarHBondContact NH1-O 3.04Å; R163-W297 VanDerWaalsContact CD-CE2 3.4Å; R163-W297 HydrophobicContact CG-CD2 4.46Å; R163-W297 HydrophobicContact CG-CE3 4.45Å; R163-W297 HydrophobicContact CG-CH2 4.28Å; R163-W297 HydrophobicContact CG-CZ2 4.27Å; R163-W297 HydrophobicContact CG-CZ3 4.36Å; R163-W297 VanDerWaalsContact NE-CD1 3.34Å; R163-D301 HydrophobicContact CB-CB 4.36Å; R163-D301 HydrophobicContact CG-CB 3.96Å; R163-D301 IonicContact NH1-OD2 3.95Å
164	N	94.8	Very high	95.1	Very high	107 Å²	107	43.3 Å²	43.3	57%	0.572	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-27.7	175.9	-70.2	-24.4	0	0	0	112.4	A166 G497	N164-A166 VanDerWaalsContact C-N 3.3Å; N164-G497 VanDerWaalsContact OD1-CA 3.24Å; N164-G497 WeakPolarHBondContact OD1-CA 3.4Å
165	S	94.7	Very high	94.6	Very high	55 Å²	55	48.8 Å²	48.8	39%	0.385	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-3.3	176.3	60.9	0	0	0	0	114.4	R163 D301	R163-S165 PolarHBondContact NH1-OG 2.7Å; R163-S165 VanDerWaalsContact NH1-OG 3.09Å; R163-S165 PolarHBondContact O-N 3.49Å; S165-D301 WeakPolarHBondContact CB-OD1 3.26Å; S165-D301 PolarHBondContact OG-OD1 3.03Å; S165-D301 PolarHBondContact OG-OD2 3.37Å
166	A	95.4	Very high	94.3	Very high	8 Å²	8	54.6 Å²	54.6	7%	0.066	28%	0.275	C	S	.	.			trans	-64.4	149.4	-175.1	0	0	0	0	0	112.1	V162 R163 N164 D170 F494 P496	V162-A166 HydrophobicContact CG1-CB 3.42Å; V162-A166 VanDerWaalsContact CG1-CB 3.42Å; R163-A166 HydrophobicContact CB-CB 4.33Å; R163-A166 WeakPolarHBondContact O-CB 3.36Å; R163-A166 PolarHBondContact O-N 2.87Å; R163-A166 VanDerWaalsContact O-N 3.11Å; N164-A166 VanDerWaalsContact C-N 3.3Å; A166-D170 HydrophobicContact CB-CB 4.13Å; A166-F494 HydrophobicContact CB-CZ 4.01Å; A166-P496 WeakPolarHBondContact O-CG 3.49Å
167	T	93.8	Very high	93.9	Very high	67 Å²	67	56.7 Å²	56.7	41%	0.411	29%	0.289	S	S	.	.			trans	-125.3	178.4	-177.8	60	0	0	0	0	110.8	Q169 D170	T167-Q169 VanDerWaalsContact CB-OE1 3.29Å; T167-Q169 PolarHBondContact O-N 3.49Å; T167-Q169 PolarHBondContact OG1-OE1 3.09Å; T167-D170 PolarHBondContact N-OD2 3.21Å; T167-D170 WeakPolarHBondContact O-CB 3.3Å; T167-D170 PolarHBondContact O-N 3.05Å; T167-D170 PolarHBondContact OG1-OD2 2.91Å
168	E	90.1	Very high	93.6	Very high	124 Å²	124	56.9 Å²	56.9	58%	0.579	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-57.7	-28.6	174.7	-75.7	-69.7	129.8	0	0	113	D170 K171	E168-D170 PolarHBondContact O-N 3.45Å; E168-K171 WeakPolarHBondContact O-CB 3.41Å; E168-K171 WeakPolarHBondContact O-CG 3.5Å; E168-K171 PolarHBondContact O-N 3.04Å; E168-K171 WeakPolarHBondContact OE1-CE 3.34Å; E168-K171 IonicContact OE1-NZ 3.02Å; E168-K171 PolarHBondContact OE1-NZ 2.82Å; E168-K171 WeakPolarHBondContact OE2-CE 3.3Å; E168-K171 IonicContact OE2-NZ 3.68Å; E168-K171 PolarHBondContact OE2-NZ 2.87Å
169	Q	89.4	Confident	93.5	Very high	152 Å²	152	57.5 Å²	57.5	71%	0.71	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-71	-20.9	176.6	-65.6	78.7	4.9	0	0	113	T167 K171	T167-Q169 VanDerWaalsContact CB-OE1 3.29Å; T167-Q169 PolarHBondContact O-N 3.49Å; T167-Q169 PolarHBondContact OG1-OE1 3.09Å; Q169-K171 VanDerWaalsContact C-N 3.3Å
170	D	93.1	Very high	93.4	Very high	16 Å²	16	58.1 Å²	58.1	9%	0.086	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-88.5	5.1	178.2	-60.4	-78.5	0	0	0	112.6	R163 A166 T167 E168 S295 F494	R163-D170 IonicContact NH2-OD1 2.63Å; R163-D170 PolarHBondContact NH2-OD1 3.37Å; R163-D170 IonicContact NH2-OD2 2.82Å; A166-D170 HydrophobicContact CB-CB 4.13Å; T167-D170 PolarHBondContact N-OD2 3.21Å; T167-D170 WeakPolarHBondContact O-CB 3.3Å; T167-D170 PolarHBondContact O-N 3.05Å; T167-D170 PolarHBondContact OG1-OD2 2.91Å; E168-D170 PolarHBondContact O-N 3.45Å; D170-S295 PolarHBondContact OD1-OG 2.8Å; D170-F494 HydrophobicContact CB-CZ 4.08Å
171	K	93.7	Very high	93.4	Very high	78 Å²	78	58.3 Å²	58.3	34%	0.339	30%	0.3	S	S	.	.	S	Bend	trans	-54.5	137.7	176.6	-86.4	180	169	172.5	0	111.1	E168 Q169 D173 F494	E168-K171 WeakPolarHBondContact O-CB 3.41Å; E168-K171 WeakPolarHBondContact O-CG 3.5Å; E168-K171 PolarHBondContact O-N 3.04Å; E168-K171 WeakPolarHBondContact OE1-CE 3.34Å; E168-K171 IonicContact OE1-NZ 3.02Å; E168-K171 PolarHBondContact OE1-NZ 2.82Å; E168-K171 WeakPolarHBondContact OE2-CE 3.3Å; E168-K171 IonicContact OE2-NZ 3.68Å; E168-K171 PolarHBondContact OE2-NZ 2.87Å; Q169-K171 VanDerWaalsContact C-N 3.3Å; K171-D173 PolarHBondContact O-N 2.9Å; K171-F494 HydrophobicContact CG-CD1 3.61Å; K171-F494 HydrophobicContact CG-CE1 3.94Å; K171-F494 HydrophobicContact CG-CG 4.15Å
172	P	93.5	Very high	93.4	Very high	37 Å²	37	57.8 Å²	57.8	24%	0.24	30%	0.296	C	S	.	.			trans	-60.7	123.4	-175.5	-24.8	35.3	0	0	0	112.2	L180 L483 F486 F494	P172-L180 HydrophobicContact CB-CD2 3.81Å; P172-L483 HydrophobicContact CB-CB 4.29Å; P172-L483 HydrophobicContact CG-CB 3.64Å; P172-L483 VanDerWaalsContact CG-O 3.27Å; P172-L483 WeakPolarHBondContact CG-O 3.23Å; P172-F486 HydrophobicContact CG-CD2 4.33Å; P172-F494 VanDerWaalsContact CD-CD2 3.44Å; P172-F494 HydrophobicContact CG-CD2 3.87Å; P172-F494 HydrophobicContact CG-CE2 4.32Å
173	D	91.9	Very high	93.4	Very high	50 Å²	50	58 Å²	58	27%	0.267	30%	0.297	S	S	.	.			trans	-131.2	122	176.3	177.5	-0.1	0	0	0	108.6	K171 N175 K176 S179	K171-D173 PolarHBondContact O-N 2.9Å; D173-N175 PolarHBondContact O-N 3.03Å; D173-N175 VanDerWaalsContact O-N 3.13Å; D173-N175 WeakPolarHBondContact OD1-CB 3.48Å; D173-N175 PolarHBondContact OD1-N 2.94Å; D173-N175 PolarHBondContact OD1-ND2 3.45Å; D173-K176 HydrophobicContact CB-CB 4.23Å; D173-K176 HydrophobicContact CB-CD 4.32Å; D173-K176 HydrophobicContact CB-CG 4.34Å; D173-K176 CarbonylContact O-C 3.51Å; D173-K176 VanDerWaalsContact O-C 3.3Å; D173-K176 WeakPolarHBondContact O-CA 3.32Å; D173-K176 PolarHBondContact O-N 2.5Å; D173-K176 VanDerWaalsContact O-O 3.09Å; D173-S179 PolarHBondContact N-OG 2.87Å; D173-S179 PolarHBondContact O-OG 3.32Å
174	K	86	Confident	93.5	Very high	159 Å²	159	57.5 Å²	57.5	69%	0.691	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.2	180	-70.6	-171.9	175.1	-173.1	0	112.9	K176	K174-K176 VanDerWaalsContact C-N 3.27Å
175	N	88.5	Confident	93.6	Very high	142 Å²	142	52.4 Å²	52.4	76%	0.759	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-9	174.8	-53.9	-61.4	0	0	0	112.8	D173	D173-N175 PolarHBondContact O-N 3.03Å; D173-N175 VanDerWaalsContact O-N 3.13Å; D173-N175 WeakPolarHBondContact OD1-CB 3.48Å; D173-N175 PolarHBondContact OD1-N 2.94Å; D173-N175 PolarHBondContact OD1-ND2 3.45Å
176	K	91.4	Very high	93.8	Very high	126 Å²	126	49.9 Å²	49.9	55%	0.548	25%	0.25	S	S	.	.	S	Bend	trans	-125	80.3	177.8	-60.2	177.6	-170.2	171	0	109.2	D173 K174 A178 S179	D173-K176 HydrophobicContact CB-CB 4.23Å; D173-K176 HydrophobicContact CB-CD 4.32Å; D173-K176 HydrophobicContact CB-CG 4.34Å; D173-K176 CarbonylContact O-C 3.51Å; D173-K176 VanDerWaalsContact O-C 3.3Å; D173-K176 WeakPolarHBondContact O-CA 3.32Å; D173-K176 PolarHBondContact O-N 2.5Å; D173-K176 VanDerWaalsContact O-O 3.09Å; K174-K176 VanDerWaalsContact C-N 3.27Å; K176-A178 PolarHBondContact O-N 2.84Å; K176-S179 WeakPolarHBondContact O-CB 3.3Å; K176-S179 PolarHBondContact O-N 2.87Å; K176-S179 PolarHBondContact O-OG 2.87Å
177	P	90.9	Very high	94	Very high	45 Å²	45	49.6 Å²	49.6	29%	0.292	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-51.8	-32.8	-172.4	-30	36.2	0	0	0	115.1	S179 L180 N468 Q470	P177-S179 VanDerWaalsContact C-N 3.28Å; P177-S179 PolarHBondContact O-N 2.99Å; P177-L180 WeakPolarHBondContact O-CB 3.49Å; P177-L180 PolarHBondContact O-N 2.74Å; P177-L180 VanDerWaalsContact O-N 3.14Å; P177-N468 VanDerWaalsContact C-ND2 3.33Å; P177-N468 HydrophobicContact CB-CB 4.21Å; P177-N468 PolarHBondContact O-ND2 3.17Å; P177-Q470 HydrophobicContact CB-CG 4.5Å
178	A	93	Very high	94.2	Very high	5 Å²	5	48.2 Å²	48.2	4%	0.041	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-66.2	-24.7	177	0	0	0	0	0	114.3	K176 L180 V181 M290 Q293	K176-A178 PolarHBondContact O-N 2.84Å; A178-L180 PolarHBondContact O-N 3.33Å; A178-V181 WeakPolarHBondContact O-CG2 3.4Å; A178-V181 PolarHBondContact O-N 3.43Å; A178-M290 HydrophobicContact CB-CE 3.91Å; A178-Q293 HydrophobicContact CB-CB 3.47Å; A178-Q293 VanDerWaalsContact CB-CB 3.47Å; A178-Q293 HydrophobicContact CB-CG 4.38Å
179	S	94.7	Very high	94.6	Very high	13 Å²	13	42.3 Å²	42.3	9%	0.091	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-73.5	-13.4	174.1	71	0	0	0	0	113.3	D173 K176 P177 V181	D173-S179 PolarHBondContact N-OG 2.87Å; D173-S179 PolarHBondContact O-OG 3.32Å; K176-S179 WeakPolarHBondContact O-CB 3.3Å; K176-S179 PolarHBondContact O-N 2.87Å; K176-S179 PolarHBondContact O-OG 2.87Å; P177-S179 VanDerWaalsContact C-N 3.28Å; P177-S179 PolarHBondContact O-N 2.99Å; S179-V181 VanDerWaalsContact C-N 3.33Å
180	L	95.8	Very high	95.1	Very high	13 Å²	13	35.1 Å²	35.1	7%	0.068	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-85.7	-9.2	178.9	-51.2	-176.9	0	0	0	112.6	P172 P177 A178 G182 S481 M482 L483 Q484	P172-L180 HydrophobicContact CB-CD2 3.81Å; P177-L180 WeakPolarHBondContact O-CB 3.49Å; P177-L180 PolarHBondContact O-N 2.74Å; P177-L180 VanDerWaalsContact O-N 3.14Å; A178-L180 PolarHBondContact O-N 3.33Å; L180-G182 PolarHBondContact O-N 3.4Å; L180-S481 CarbonylContact O-C 3.45Å; L180-S481 VanDerWaalsContact O-CA 3.29Å; L180-S481 WeakPolarHBondContact O-CA 3.13Å; L180-M482 PolarHBondContact O-N 2.75Å; L180-M482 VanDerWaalsContact O-N 3.17Å; L180-L483 WeakPolarHBondContact O-CB 3.41Å; L180-L483 WeakPolarHBondContact O-CG 3.4Å; L180-L483 PolarHBondContact O-N 3.43Å; L180-Q484 HydrophobicContact CD2-CB 4.15Å
181	V	97.6	Very high	95.3	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.024	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-83.8	116.3	-170	-175.8	0	0	0	0	110.3	A178 S179 M290 W297 N468 L479 N480 L483	A178-V181 WeakPolarHBondContact O-CG2 3.4Å; A178-V181 PolarHBondContact O-N 3.43Å; S179-V181 VanDerWaalsContact C-N 3.33Å; V181-M290 HydrophobicContact CB-CE 3.96Å; V181-M290 HydrophobicContact CG1-CE 4.23Å; V181-M290 HydrophobicContact CG2-CE 3.92Å; V181-W297 HydrophobicContact CB-CZ2 4.14Å; V181-W297 HydrophobicContact CG1-CH2 4Å; V181-W297 HydrophobicContact CG1-CZ2 3.81Å; V181-N468 WeakPolarHBondContact CG2-ND2 3.41Å; V181-L479 HydrophobicContact CG1-CB 4.42Å; V181-L479 HydrophobicContact CG1-CD2 4.16Å; V181-L479 HydrophobicContact CG2-CB 3.98Å; V181-L479 HydrophobicContact CG2-CD1 4.23Å; V181-N480 WeakPolarHBondContact CG2-O 3.46Å; V181-L483 VanDerWaalsContact O-CD1 3.24Å; V181-L483 WeakPolarHBondContact O-CD1 3.16Å
182	G	98	Very high	95.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-84.3	165.2	166	0	0	0	0	0	111.2	P161 L180 P184 N480	P161-G182 CarbonylContact O-C 3.55Å; P161-G182 VanDerWaalsContact O-CA 3.29Å; P161-G182 WeakPolarHBondContact O-CA 3.28Å; L180-G182 PolarHBondContact O-N 3.4Å; G182-P184 WeakPolarHBondContact O-CD 3.19Å; G182-P184 VanDerWaalsContact O-N 3.13Å; G182-N480 PolarHBondContact N-OD1 3.48Å; G182-N480 PolarHBondContact O-ND2 2.69Å
183	I	98.2	Very high	95.8	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.031	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-58.8	118.2	178.6	-64.6	166.1	0	0	0	109.8	C160 P161 R163 S185 W297 D301 L302 Y305	C160-I183 WeakPolarHBondContact CA-O 3.36Å; C160-I183 WeakPolarHBondContact CB-O 3.44Å; C160-I183 PolarHBondContact SG-O 3.36Å; P161-I183 HydrophobicContact CG-CB 4.13Å; P161-I183 HydrophobicContact CG-CD1 4.03Å; P161-I183 HydrophobicContact CG-CG1 4.45Å; P161-I183 PolarHBondContact O-N 2.88Å; R163-I183 HydrophobicContact CB-CD1 4.43Å; R163-I183 HydrophobicContact CG-CD1 4.03Å; R163-I183 HydrophobicContact CG-CG1 3.72Å; I183-S185 PolarHBondContact O-N 3.08Å; I183-S185 PolarHBondContact O-OG 3.38Å; I183-W297 HydrophobicContact CG1-CH2 4.42Å; I183-W297 HydrophobicContact CG1-CZ3 4.41Å; I183-D301 VanDerWaalsContact CD1-O 3.32Å; I183-D301 WeakPolarHBondContact CD1-O 3.38Å; I183-L302 HydrophobicContact CG2-CD2 4.36Å; I183-Y305 HydrophobicContact CG2-CD2 4.13Å; I183-Y305 HydrophobicContact CG2-CG 4.03Å
184	P	98.4	Very high	96.1	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-58	130.6	176	-28.2	37.7	0	0	0	112.3	G182 F274 Y275 F286	G182-P184 WeakPolarHBondContact O-CD 3.19Å; G182-P184 VanDerWaalsContact O-N 3.13Å; P184-F274 HydrophobicContact CB-CE1 3.73Å; P184-F274 HydrophobicContact CB-CZ 3.72Å; P184-F274 HydrophobicContact CG-CE1 4.28Å; P184-F274 HydrophobicContact CG-CZ 4.28Å; P184-Y275 WeakPolarHBondContact O-CE1 3.48Å; P184-Y275 PolarHBondContact O-OH 3.33Å; P184-F286 HydrophobicContact CG-CE2 4.11Å; P184-F286 HydrophobicContact CG-CZ 3.83Å
185	S	98.3	Very high	96.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.			trans	-134.9	-14.4	-162.7	40.3	0	0	0	0	113.9	G139 C140 F158 C160 I183 V187 R188 G189 Y275 Y305	G139-S185 PolarHBondContact O-N 3.16Å; C140-S185 WeakPolarHBondContact CB-OG 3.36Å; F158-S185 WeakPolarHBondContact O-CB 3.23Å; F158-S185 PolarHBondContact O-OG 3.11Å; C160-S185 PolarHBondContact SG-OG 2.93Å; I183-S185 PolarHBondContact O-N 3.08Å; I183-S185 PolarHBondContact O-OG 3.38Å; S185-V187 PolarHBondContact O-N 3.32Å; S185-R188 PolarHBondContact O-N 3.17Å; S185-G189 PolarHBondContact O-N 2.85Å; S185-Y275 WeakPolarHBondContact CA-OH 3.32Å; S185-Y305 WeakPolarHBondContact CB-OH 3.35Å
186	L	98.7	Very high	97.1	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-51	-54.5	179.3	179.1	61.6	0	0	0	111.7	M124 S136 G139 F158 R188 G189 L190 I460	M124-L186 HydrophobicContact SD-CD1 4.46Å; S136-L186 WeakPolarHBondContact O-CD2 3.16Å; G139-L186 WeakPolarHBondContact O-CB 3.44Å; G139-L186 PolarHBondContact O-N 2.9Å; F158-L186 HydrophobicContact CD2-CD1 4.47Å; F158-L186 HydrophobicContact CE2-CD1 3.71Å; L186-R188 PolarHBondContact O-N 2.94Å; L186-G189 WeakPolarHBondContact O-CA 3.21Å; L186-G189 PolarHBondContact O-N 3.38Å; L186-G189 VanDerWaalsContact O-N 3.09Å; L186-L190 HydrophobicContact CD1-CD1 4.25Å; L186-L190 HydrophobicContact CD1-CD2 4.11Å; L186-L190 HydrophobicContact CD1-CG 4.04Å; L186-L190 HydrophobicContact CG-CD1 4.22Å; L186-L190 HydrophobicContact CG-CG 4.33Å; L186-L190 WeakPolarHBondContact O-CG 3.48Å; L186-L190 PolarHBondContact O-N 2.95Å; L186-I460 HydrophobicContact CD1-CG2 3.78Å
187	V	98.6	Very high	97.4	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.018	11%	0.11	C	C	.	.	H	α-helix	trans	-59.4	-44.6	-175.5	178.4	0	0	0	0	111.9	L137 S185 L190 A191 L266 D271 F274 Y275	L137-V187 HydrophobicContact CB-CG2 4.18Å; L137-V187 HydrophobicContact CD2-CG2 4.03Å; S185-V187 PolarHBondContact O-N 3.32Å; V187-L190 PolarHBondContact O-N 2.75Å; V187-A191 WeakPolarHBondContact O-CB 3.32Å; V187-A191 PolarHBondContact O-N 2.86Å; V187-L266 HydrophobicContact CG1-CD1 4.44Å; V187-L266 HydrophobicContact CG1-CD2 3.68Å; V187-L266 HydrophobicContact CG2-CD1 4.13Å; V187-D271 HydrophobicContact CG1-CB 3.9Å; V187-F274 HydrophobicContact CB-CD2 4.44Å; V187-F274 HydrophobicContact CG1-CB 4.31Å; V187-F274 HydrophobicContact CG2-CD2 3.93Å; V187-F274 HydrophobicContact CG2-CE2 4.24Å; V187-Y275 HydrophobicContact CB-CE2 4.13Å; V187-Y275 HydrophobicContact CG1-CE2 4.28Å
188	R	98.4	Very high	97.7	Very high	38 Å²	38	22 Å²	22	14%	0.143	11%	0.109	C	C	.	.	H	α-helix	trans	-62.8	-44.3	175.7	-170.7	77.4	87.1	-167.5	6	111	S185 L186 A191 V192 D271 Y275 N303 Y305 V307	S185-R188 PolarHBondContact O-N 3.17Å; L186-R188 PolarHBondContact O-N 2.94Å; R188-A191 PolarHBondContact O-N 3.31Å; R188-V192 HydrophobicContact CG-CG2 4.38Å; R188-V192 WeakPolarHBondContact O-CG2 3.28Å; R188-V192 PolarHBondContact O-N 3.37Å; R188-D271 WeakPolarHBondContact CD-OD2 3.37Å; R188-D271 IonicContact CZ-OD2 3.56Å; R188-D271 IonicContact NE-OD2 2.85Å; R188-D271 IonicContact NH1-OD2 3.78Å; R188-D271 PolarHBondContact NH1-OD2 3.15Å; R188-Y275 HydrophobicContact CB-CD2 4.4Å; R188-Y275 HydrophobicContact CB-CE2 3.59Å; R188-Y275 VanDerWaalsContact CZ-CD2 3.44Å; R188-Y275 VanDerWaalsContact CZ-CG 3.45Å; R188-Y275 PolarHBondContact N-OH 2.93Å; R188-Y275 VanDerWaalsContact NH2-CG 3.35Å; R188-N303 PolarHBondContact NH2-O 3.12Å; R188-N303 VanDerWaalsContact NH2-O 3.13Å; R188-Y305 HydrophobicContact CB-CD1 3.96Å; R188-Y305 HydrophobicContact CB-CE1 3.97Å; R188-Y305 HydrophobicContact CG-CD1 3.99Å; R188-Y305 HydrophobicContact CG-CE1 4.13Å; R188-Y305 PolarHBondContact NE-O 3.1Å; R188-V307 HydrophobicContact CB-CG2 4.31Å; R188-V307 HydrophobicContact CG-CG2 3.77Å
189	G	98.7	Very high	97.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-52.6	-54.7	175.2	0	0	0	0	0	112.3	S185 L186 A191 V192 M193	S185-G189 PolarHBondContact O-N 2.85Å; L186-G189 WeakPolarHBondContact O-CA 3.21Å; L186-G189 PolarHBondContact O-N 3.38Å; L186-G189 VanDerWaalsContact O-N 3.09Å; G189-A191 PolarHBondContact O-N 3.5Å; G189-V192 PolarHBondContact O-N 2.93Å; G189-M193 WeakPolarHBondContact O-CG 3.38Å; G189-M193 PolarHBondContact O-N 3.43Å
190	L	98.8	Very high	98	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58	-45.9	177.9	-61.4	-173.4	0	0	0	112	V121 M124 L125 L186 V187 V192 M193 H194 W202	V121-L190 HydrophobicContact CG1-CB 4.31Å; V121-L190 HydrophobicContact CG1-CD1 4.42Å; V121-L190 HydrophobicContact CG2-CB 4.48Å; V121-L190 HydrophobicContact CG2-CD2 4.29Å; M124-L190 HydrophobicContact CB-CD1 4.31Å; M124-L190 HydrophobicContact CB-CD2 4.06Å; M124-L190 HydrophobicContact CG-CD2 4.41Å; M124-L190 HydrophobicContact SD-CD2 3.47Å; M124-L190 WeakPolarHBondContact SD-CD2 3.04Å; L125-L190 HydrophobicContact CD2-CD1 3.92Å; L125-L190 HydrophobicContact CG-CD1 4Å; L186-L190 HydrophobicContact CD1-CD1 4.25Å; L186-L190 HydrophobicContact CD1-CD2 4.11Å; L186-L190 HydrophobicContact CD1-CG 4.04Å; L186-L190 HydrophobicContact CG-CD1 4.22Å; L186-L190 HydrophobicContact CG-CG 4.33Å; L186-L190 WeakPolarHBondContact O-CG 3.48Å; L186-L190 PolarHBondContact O-N 2.95Å; V187-L190 PolarHBondContact O-N 2.75Å; L190-V192 PolarHBondContact O-N 2.79Å; L190-M193 HydrophobicContact CD2-CE 3.61Å; L190-M193 PolarHBondContact O-N 3.22Å; L190-H194 VanDerWaalsContact O-CB 3.25Å; L190-H194 WeakPolarHBondContact O-CB 3.46Å; L190-H194 PolarHBondContact O-N 3.24Å; L190-W202 HydrophobicContact CB-CH2 3.92Å; L190-W202 HydrophobicContact CB-CZ3 4.28Å
191	A	98.7	Very high	98.1	Very high	2 Å²	2	32.6 Å²	32.6	2%	0.017	16%	0.162	C	C	.	.	H	α-helix	trans	-63.5	-43	-178.4	0	0	0	0	0	112.6	V187 R188 G189 Q195 W202 D271	V187-A191 WeakPolarHBondContact O-CB 3.32Å; V187-A191 PolarHBondContact O-N 2.86Å; R188-A191 PolarHBondContact O-N 3.31Å; G189-A191 PolarHBondContact O-N 3.5Å; A191-Q195 VanDerWaalsContact O-CB 3.26Å; A191-Q195 WeakPolarHBondContact O-CB 3.44Å; A191-Q195 PolarHBondContact O-N 3.48Å; A191-W202 HydrophobicContact CB-CH2 3.94Å; A191-W202 HydrophobicContact CB-CZ2 4.41Å; A191-W202 HydrophobicContact CB-CZ3 4.28Å; A191-D271 HydrophobicContact CB-CB 3.71Å
192	V	98.5	Very high	98.2	Very high	37 Å²	37	32.9 Å²	32.9	22%	0.224	16%	0.163	C	C	.	.	H	α-helix	trans	-67.6	-41.9	178.6	170.9	0	0	0	0	111.4	F156 R188 G189 L190 R196 V307	F156-V192 HydrophobicContact CD1-CG1 4.12Å; F156-V192 HydrophobicContact CE1-CG1 3.99Å; R188-V192 HydrophobicContact CG-CG2 4.38Å; R188-V192 WeakPolarHBondContact O-CG2 3.28Å; R188-V192 PolarHBondContact O-N 3.37Å; G189-V192 PolarHBondContact O-N 2.93Å; L190-V192 PolarHBondContact O-N 2.79Å; V192-R196 PolarHBondContact O-N 3.1Å; V192-V307 HydrophobicContact CB-CG2 4.22Å; V192-V307 HydrophobicContact CG1-CB 4.49Å; V192-V307 HydrophobicContact CG2-CB 4.47Å; V192-V307 HydrophobicContact CG2-CG2 3.96Å
193	M	98	Very high	98.2	Very high	2 Å²	2	35 Å²	35	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-62.5	-50.3	175	-71.9	-171.5	-59.6	0	0	111.7	V117 V143 F156 F158 G189 L190 Q195 R196 F197	V117-M193 HydrophobicContact CG1-CB 4.45Å; V143-M193 HydrophobicContact CB-CE 4.35Å; V143-M193 HydrophobicContact CB-SD 3.39Å; V143-M193 WeakPolarHBondContact CB-SD 3.34Å; V143-M193 HydrophobicContact CG1-SD 3.52Å; V143-M193 VanDerWaalsContact CG1-SD 3.52Å; V143-M193 HydrophobicContact CG2-CE 3.9Å; V143-M193 HydrophobicContact CG2-SD 3.61Å; F156-M193 HydrophobicContact CB-CG 3.93Å; F156-M193 HydrophobicContact CB-SD 4.11Å; F156-M193 HydrophobicContact CD1-CG 3.67Å; F156-M193 HydrophobicContact CD2-CG 3.62Å; F156-M193 HydrophobicContact CD2-SD 4.02Å; F156-M193 HydrophobicContact CE1-CG 3.93Å; F156-M193 HydrophobicContact CE2-CG 3.89Å; F156-M193 HydrophobicContact CG-CG 3.47Å; F156-M193 VanDerWaalsContact CG-CG 3.47Å; F156-M193 HydrophobicContact CG-SD 4.11Å; F156-M193 HydrophobicContact CZ-CG 4Å; F158-M193 HydrophobicContact CE1-CE 3.94Å; F158-M193 HydrophobicContact CE1-SD 4.08Å; F158-M193 HydrophobicContact CZ-CE 4.06Å; G189-M193 WeakPolarHBondContact O-CG 3.38Å; G189-M193 PolarHBondContact O-N 3.43Å; L190-M193 HydrophobicContact CD2-CE 3.61Å; L190-M193 PolarHBondContact O-N 3.22Å; M193-Q195 VanDerWaalsContact C-N 3.33Å; M193-Q195 PolarHBondContact O-N 2.8Å; M193-R196 PolarHBondContact O-N 3.44Å; M193-R196 VanDerWaalsContact O-N 3.12Å; M193-F197 PolarHBondContact O-N 3.25Å
194	H	98.6	Very high	98.2	Very high	11 Å²	11	37.9 Å²	37.9	5%	0.051	19%	0.193	C	C	.	.	H	α-helix	trans	-61.3	-41.2	178.5	175.2	-97.1	0	0	0	111.8	D118 V121 L190 R196 G198 L200 W202 L205 R270	D118-H194 IonicContact OD1-CD2 3.04Å; D118-H194 IonicContact OD1-NE2 2.7Å; V121-H194 HydrophobicContact CG2-CB 4.4Å; L190-H194 VanDerWaalsContact O-CB 3.25Å; L190-H194 WeakPolarHBondContact O-CB 3.46Å; L190-H194 PolarHBondContact O-N 3.24Å; H194-R196 PolarHBondContact O-N 3.04Å; H194-G198 VanDerWaalsContact O-CA 3.22Å; H194-G198 WeakPolarHBondContact O-CA 3.18Å; H194-G198 PolarHBondContact O-N 3.26Å; H194-L200 PolarHBondContact CE1-O 3.02Å; H194-L200 PolarHBondContact NE2-O 2.86Å; H194-W202 HydrophobicContact CB-CE3 3.88Å; H194-W202 HydrophobicContact CB-CZ3 3.84Å; H194-W202 AromaticContact CG-CE3 3.66Å; H194-W202 AromaticContact ND1-CE3 3.56Å; H194-L205 WeakPolarHBondContact CD2-CD1 3.43Å; H194-R270 PolarHBondContact ND1-NH2 2.63Å
195	Q	98.2	Very high	98.2	Very high	154 Å²	154	37.9 Å²	37.9	72%	0.72	19%	0.193	S	C	*	.	H	α-helix	trans	-61.1	-32.7	176.7	-178.6	173.7	2.2	0	0	112.6	A191 M193	A191-Q195 VanDerWaalsContact O-CB 3.26Å; A191-Q195 WeakPolarHBondContact O-CB 3.44Å; A191-Q195 PolarHBondContact O-N 3.48Å; M193-Q195 VanDerWaalsContact C-N 3.33Å; M193-Q195 PolarHBondContact O-N 2.8Å
196	R	97.3	Very high	98.2	Very high	116 Å²	116	38 Å²	38	44%	0.438	19%	0.194	S	C	.	.	H	α-helix	trans	-85.5	-38.7	-178.3	-173	171.8	-177.5	176.6	5.3	113.4	H154 F156 V192 M193 H194	H154-R196 PolarHBondContact CE1-NH2 3.26Å; H154-R196 PolarHBondContact ND1-NH2 2.74Å; F156-R196 HydrophobicContact CZ-CB 4.49Å; V192-R196 PolarHBondContact O-N 3.1Å; M193-R196 PolarHBondContact O-N 3.44Å; M193-R196 VanDerWaalsContact O-N 3.12Å; H194-R196 PolarHBondContact O-N 3.04Å
197	F	97.2	Very high	98.2	Very high	29 Å²	29	42.2 Å²	42.2	13%	0.127	22%	0.22	C	C	.	.	H	α-helix	trans	-129.8	-11.8	-167.9	-66.1	-60.9	0	0	0	114.5	N115 V117 V145 H154 F156 M193 F454	N115-F197 PolarHBondContact ND2-O 2.92Å; V117-F197 HydrophobicContact CB-CB 4.13Å; V117-F197 HydrophobicContact CG1-CB 4.12Å; V117-F197 HydrophobicContact CG2-CB 3.77Å; V145-F197 HydrophobicContact CB-CE2 4.35Å; V145-F197 HydrophobicContact CG1-CD2 4.16Å; V145-F197 HydrophobicContact CG1-CE2 4.14Å; V145-F197 HydrophobicContact CG2-CD2 4.31Å; V145-F197 HydrophobicContact CG2-CE2 4.47Å; H154-F197 HydrophobicContact CB-CE2 3.96Å; H154-F197 HydrophobicContact CB-CZ 4.05Å; H154-F197 AromaticContact CD2-CZ 3.34Å; H154-F197 WeakPolarHBondContact CD2-CZ 3.42Å; H154-F197 AromaticContact CG-CZ 3.67Å; H154-F197 AromaticContact NE2-CZ 3.91Å; F156-F197 AromaticContact CE2-CD2 3.99Å; F156-F197 HydrophobicContact CE2-CD2 3.99Å; F156-F197 AromaticContact CE2-CE2 3.7Å; F156-F197 HydrophobicContact CE2-CE2 3.7Å; F156-F197 AromaticContact CZ-CD2 3.81Å; F156-F197 HydrophobicContact CZ-CD2 3.81Å; F156-F197 AromaticContact CZ-CE2 3.55Å; F156-F197 HydrophobicContact CZ-CE2 3.55Å; M193-F197 PolarHBondContact O-N 3.25Å; F197-F454 HydrophobicContact CB-CE1 4.21Å; F197-F454 HydrophobicContact CB-CZ 3.98Å; F197-F454 HydrophobicContact CD1-CE2 4.45Å; F197-F454 AromaticContact CD1-CZ 3.72Å; F197-F454 HydrophobicContact CD1-CZ 3.72Å; F197-F454 HydrophobicContact CE1-CZ 4.34Å; F197-F454 AromaticContact CG-CZ 3.85Å; F197-F454 HydrophobicContact CG-CZ 3.85Å
198	G	97.5	Very high	98.1	Very high	26 Å²	26	43 Å²	43	27%	0.268	23%	0.228	S	C	.	.			trans	-67	148.1	178.3	0	0	0	0	0	112	D118 H194	D118-G198 WeakPolarHBondContact OD1-CA 3.36Å; H194-G198 VanDerWaalsContact O-CA 3.22Å; H194-G198 WeakPolarHBondContact O-CA 3.18Å; H194-G198 PolarHBondContact O-N 3.26Å
199	S	97	Very high	98.1	Very high	71 Å²	71	41.2 Å²	41.2	50%	0.497	22%	0.222	S	C	.	.			trans	-114.9	-19.4	179.3	68.8	0	0	0	0	113.3	D118	D118-S199 PolarHBondContact OD1-N 3.45Å; D118-S199 WeakPolarHBondContact OD2-CB 3.47Å; D118-S199 PolarHBondContact OD2-N 3.34Å; D118-S199 PolarHBondContact OD2-OG 3.47Å
200	L	98.2	Very high	98.1	Very high	35 Å²	35	42.1 Å²	42.1	18%	0.183	23%	0.227	C	C	.	.	S	Bend	trans	-91.8	172.6	178.1	-60.7	-176	0	0	0	111.9	I108 N112 D118 H194 L205	I108-L200 HydrophobicContact CD1-CD1 4.35Å; I108-L200 HydrophobicContact CG2-CD1 3.95Å; N112-L200 HydrophobicContact CB-CD1 3.8Å; N112-L200 WeakPolarHBondContact O-CD2 3.37Å; D118-L200 HydrophobicContact CB-CD1 4.27Å; D118-L200 HydrophobicContact CB-CG 4.37Å; D118-L200 PolarHBondContact OD1-N 3.29Å; H194-L200 PolarHBondContact CE1-O 3.02Å; H194-L200 PolarHBondContact NE2-O 2.86Å; L200-L205 HydrophobicContact CB-CD2 4.1Å; L200-L205 HydrophobicContact CD1-CD2 3.98Å
201	K	98.1	Very high	98	Very high	149 Å²	149	45.1 Å²	45.1	65%	0.648	24%	0.242	S	C	*	.			trans	-72.8	138.1	168.8	-62.8	176.5	-178.9	173.9	0	108.6	S203 D204	K201-S203 PolarHBondContact O-N 3.09Å; K201-S203 VanDerWaalsContact O-N 3.17Å; K201-D204 WeakPolarHBondContact O-CB 3.29Å; K201-D204 PolarHBondContact O-N 3.26Å
202	W	98.4	Very high	97.9	Very high	10 Å²	10	45.9 Å²	45.9	4%	0.038	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-50.9	-43.2	179.7	172.6	-98.4	0	0	0	113.2	V121 L190 A191 H194 D204 L205 F206 L266 R270	V121-W202 HydrophobicContact CG1-CZ3 4.06Å; L190-W202 HydrophobicContact CB-CH2 3.92Å; L190-W202 HydrophobicContact CB-CZ3 4.28Å; A191-W202 HydrophobicContact CB-CH2 3.94Å; A191-W202 HydrophobicContact CB-CZ2 4.41Å; A191-W202 HydrophobicContact CB-CZ3 4.28Å; H194-W202 HydrophobicContact CB-CE3 3.88Å; H194-W202 HydrophobicContact CB-CZ3 3.84Å; H194-W202 AromaticContact CG-CE3 3.66Å; H194-W202 AromaticContact ND1-CE3 3.56Å; W202-D204 VanDerWaalsContact C-N 3.27Å; W202-D204 PolarHBondContact O-N 3.32Å; W202-L205 WeakPolarHBondContact O-CB 3.31Å; W202-L205 PolarHBondContact O-N 3.48Å; W202-F206 AromaticContact CD1-CE2 3.95Å; W202-F206 AromaticContact CD2-CE2 3.9Å; W202-F206 HydrophobicContact CD2-CE2 3.9Å; W202-F206 AromaticContact CE2-CE2 3.31Å; W202-F206 AromaticContact CE2-CZ 3.67Å; W202-F206 HydrophobicContact CG-CE2 4.33Å; W202-F206 HydrophobicContact CH2-CE2 4.24Å; W202-F206 HydrophobicContact CH2-CZ 4.29Å; W202-F206 AromaticContact CZ2-CE2 3.55Å; W202-F206 HydrophobicContact CZ2-CE2 3.55Å; W202-F206 AromaticContact CZ2-CZ 3.49Å; W202-F206 HydrophobicContact CZ2-CZ 3.49Å; W202-F206 VanDerWaalsContact CZ2-CZ 3.49Å; W202-F206 AromaticContact NE1-CE2 3.3Å; W202-F206 VanDerWaalsContact NE1-CE2 3.3Å; W202-F206 AromaticContact NE1-CZ 3.68Å; W202-F206 VanDerWaalsContact O-CD2 3.29Å; W202-F206 WeakPolarHBondContact O-CD2 3.32Å; W202-L266 PolarHBondContact NE1-O 2.96Å; W202-R270 HydrophobicContact CG-CG 4.09Å
203	S	98.3	Very high	97.8	Very high	45 Å²	45	44.6 Å²	44.6	32%	0.315	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-60.1	-34.6	179.3	52	0	0	0	0	113.5	K201 L205 F206	K201-S203 PolarHBondContact O-N 3.09Å; K201-S203 VanDerWaalsContact O-N 3.17Å; S203-L205 PolarHBondContact O-N 3.23Å; S203-F206 PolarHBondContact O-N 3.44Å
204	D	98.2	Very high	97.7	Very high	65 Å²	65	49.8 Å²	49.8	35%	0.348	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-70.9	-24.2	-174.3	-58.1	-8	0	0	0	110.7	K201 W202 F206 T207	K201-D204 WeakPolarHBondContact O-CB 3.29Å; K201-D204 PolarHBondContact O-N 3.26Å; W202-D204 VanDerWaalsContact C-N 3.27Å; W202-D204 PolarHBondContact O-N 3.32Å; D204-F206 PolarHBondContact O-N 3.32Å; D204-T207 PolarHBondContact O-N 2.89Å; D204-T207 PolarHBondContact O-OG1 3.41Å
205	L	98.7	Very high	97.4	Very high	1 Å²	1	55 Å²	55	1%	0.005	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-71	-16.6	178.1	-56.1	-176.3	0	0	0	113.4	I108 D118 V121 S122 L125 H194 L200 W202 S203	I108-L205 HydrophobicContact CD1-CD2 4.21Å; D118-L205 HydrophobicContact CB-CD2 3.87Å; V121-L205 HydrophobicContact CB-CD1 3.99Å; V121-L205 HydrophobicContact CG1-CB 4.3Å; V121-L205 HydrophobicContact CG1-CD1 3.66Å; S122-L205 VanDerWaalsContact OG-CA 3.26Å; S122-L205 WeakPolarHBondContact OG-CA 3.4Å; S122-L205 WeakPolarHBondContact OG-CB 3.49Å; S122-L205 PolarHBondContact OG-O 2.94Å; L125-L205 HydrophobicContact CD1-CB 4.45Å; H194-L205 WeakPolarHBondContact CD2-CD1 3.43Å; L200-L205 HydrophobicContact CB-CD2 4.1Å; L200-L205 HydrophobicContact CD1-CD2 3.98Å; W202-L205 WeakPolarHBondContact O-CB 3.31Å; W202-L205 PolarHBondContact O-N 3.48Å; S203-L205 PolarHBondContact O-N 3.23Å
206	F	98.6	Very high	97.1	Very high	1 Å²	1	50.2 Å²	50.2	0%	0.004	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-90.3	-15.7	-178	-75.5	-108.8	0	0	0	113.3	L125 W202 S203 D204 G208 A209 I210 L263 L266 A267	L125-F206 HydrophobicContact CD1-CD1 4.06Å; L125-F206 HydrophobicContact CD1-CD2 3.71Å; L125-F206 HydrophobicContact CD1-CE1 3.95Å; L125-F206 HydrophobicContact CD1-CE2 3.55Å; L125-F206 HydrophobicContact CD1-CG 3.94Å; L125-F206 HydrophobicContact CD1-CZ 3.69Å; L125-F206 HydrophobicContact CD2-CD1 4.25Å; L125-F206 HydrophobicContact CD2-CE1 3.62Å; L125-F206 HydrophobicContact CD2-CE2 4.47Å; L125-F206 HydrophobicContact CD2-CZ 3.75Å; L125-F206 HydrophobicContact CG-CE1 4.43Å; L125-F206 HydrophobicContact CG-CZ 4.39Å; W202-F206 AromaticContact CD1-CE2 3.95Å; W202-F206 AromaticContact CD2-CE2 3.9Å; W202-F206 HydrophobicContact CD2-CE2 3.9Å; W202-F206 AromaticContact CE2-CE2 3.31Å; W202-F206 AromaticContact CE2-CZ 3.67Å; W202-F206 HydrophobicContact CG-CE2 4.33Å; W202-F206 HydrophobicContact CH2-CE2 4.24Å; W202-F206 HydrophobicContact CH2-CZ 4.29Å; W202-F206 AromaticContact CZ2-CE2 3.55Å; W202-F206 HydrophobicContact CZ2-CE2 3.55Å; W202-F206 AromaticContact CZ2-CZ 3.49Å; W202-F206 HydrophobicContact CZ2-CZ 3.49Å; W202-F206 VanDerWaalsContact CZ2-CZ 3.49Å; W202-F206 AromaticContact NE1-CE2 3.3Å; W202-F206 VanDerWaalsContact NE1-CE2 3.3Å; W202-F206 AromaticContact NE1-CZ 3.68Å; W202-F206 VanDerWaalsContact O-CD2 3.29Å; W202-F206 WeakPolarHBondContact O-CD2 3.32Å; S203-F206 PolarHBondContact O-N 3.44Å; D204-F206 PolarHBondContact O-N 3.32Å; F206-G208 VanDerWaalsContact C-N 3.32Å; F206-G208 PolarHBondContact O-N 2.88Å; F206-A209 PolarHBondContact O-N 2.8Å; F206-I210 HydrophobicContact CB-CD1 3.69Å; F206-I210 HydrophobicContact CB-CG1 4.29Å; F206-I210 WeakPolarHBondContact O-CB 3.31Å; F206-I210 WeakPolarHBondContact O-CG1 3.36Å; F206-I210 PolarHBondContact O-N 3.35Å; F206-L263 HydrophobicContact CD1-CB 4.34Å; F206-L263 HydrophobicContact CD1-CD2 4.03Å; F206-L263 WeakPolarHBondContact CD1-O 3.07Å; F206-L263 HydrophobicContact CE1-CD2 4.1Å; F206-L266 HydrophobicContact CD1-CB 4.49Å; F206-L266 HydrophobicContact CE1-CB 3.56Å; F206-L266 HydrophobicContact CE1-CD1 4.47Å; F206-L266 HydrophobicContact CZ-CB 3.93Å; F206-A267 HydrophobicContact CB-CB 3.78Å; F206-A267 HydrophobicContact CD1-CB 3.99Å; F206-A267 HydrophobicContact CD2-CB 4.01Å; F206-A267 HydrophobicContact CG-CB 3.64Å
207	T	97.4	Very high	96.9	Very high	92 Å²	92	45.4 Å²	45.4	56%	0.564	25%	0.253	S	S	*	.	H	α-helix	trans	-55.9	-44.8	-169.9	-56.9	0	0	0	0	112.5	D204 I210 D211	D204-T207 PolarHBondContact O-N 2.89Å; D204-T207 PolarHBondContact O-OG1 3.41Å; T207-I210 PolarHBondContact O-N 2.87Å; T207-D211 WeakPolarHBondContact O-CB 3.48Å; T207-D211 PolarHBondContact O-N 2.87Å
208	G	97.1	Very high	96.8	Very high	19 Å²	19	49 Å²	49	20%	0.196	27%	0.271	C	S	.	.	H	α-helix	trans	-63.3	-48.1	179	0	0	0	0	0	113.1	F206 I210 D211 L212	F206-G208 VanDerWaalsContact C-N 3.32Å; F206-G208 PolarHBondContact O-N 2.88Å; G208-I210 PolarHBondContact O-N 3.2Å; G208-D211 PolarHBondContact O-N 3.04Å; G208-L212 WeakPolarHBondContact O-CG 3.36Å; G208-L212 PolarHBondContact O-N 3.47Å; G208-L212 VanDerWaalsContact O-N 3.12Å
209	A	98.1	Very high	96.7	Very high	1 Å²	1	48 Å²	48	1%	0.008	26%	0.259	C	S	.	.	H	α-helix	trans	-62.4	-44	177.9	0	0	0	0	0	111.7	L125 V129 F206 D211 L212 T213 L263	L125-A209 HydrophobicContact CB-CB 4.14Å; V129-A209 HydrophobicContact CG2-CB 4.16Å; F206-A209 PolarHBondContact O-N 2.8Å; A209-D211 PolarHBondContact O-N 2.83Å; A209-L212 PolarHBondContact O-N 3.39Å; A209-T213 PolarHBondContact O-N 2.77Å; A209-L263 HydrophobicContact CB-CD1 4.3Å
210	I	98.3	Very high	96.4	Very high	19 Å²	19	45.1 Å²	45.1	10%	0.097	24%	0.24	C	C	.	.	H	α-helix	trans	-63.9	-41.9	178	-69.2	168.1	0	0	0	111.1	F206 T207 G208 L212 T213 K214 L263 E264 A267	F206-I210 HydrophobicContact CB-CD1 3.69Å; F206-I210 HydrophobicContact CB-CG1 4.29Å; F206-I210 WeakPolarHBondContact O-CB 3.31Å; F206-I210 WeakPolarHBondContact O-CG1 3.36Å; F206-I210 PolarHBondContact O-N 3.35Å; T207-I210 PolarHBondContact O-N 2.87Å; G208-I210 PolarHBondContact O-N 3.2Å; I210-L212 VanDerWaalsContact C-N 3.33Å; I210-L212 PolarHBondContact O-N 3.04Å; I210-T213 PolarHBondContact O-N 3.45Å; I210-T213 VanDerWaalsContact O-N 3.12Å; I210-T213 PolarHBondContact O-OG1 2.91Å; I210-K214 HydrophobicContact CG2-CD 4.14Å; I210-K214 VanDerWaalsContact CG2-CE 3.47Å; I210-K214 WeakPolarHBondContact O-CG 3.46Å; I210-K214 PolarHBondContact O-N 3.44Å; I210-L263 HydrophobicContact CD1-CB 4.43Å; I210-L263 HydrophobicContact CG1-CB 3.81Å; I210-E264 HydrophobicContact CD1-CG 3.86Å; I210-E264 HydrophobicContact CG1-CG 4.28Å; I210-E264 HydrophobicContact CG2-CG 4.16Å; I210-A267 HydrophobicContact CD1-CB 4.31Å
211	D	97	Very high	95.9	Very high	62 Å²	62	46.5 Å²	46.5	33%	0.332	24%	0.244	S	C	.	.	H	α-helix	trans	-62.2	-40.3	178.1	-169.9	55	0	0	0	112	T207 G208 A209 T213 K214 K215	T207-D211 WeakPolarHBondContact O-CB 3.48Å; T207-D211 PolarHBondContact O-N 2.87Å; G208-D211 PolarHBondContact O-N 3.04Å; A209-D211 PolarHBondContact O-N 2.83Å; D211-T213 PolarHBondContact O-N 3.4Å; D211-K214 WeakPolarHBondContact O-CA 3.46Å; D211-K214 WeakPolarHBondContact O-CB 3.47Å; D211-K214 PolarHBondContact O-N 3.45Å; D211-K215 PolarHBondContact O-N 2.9Å; D211-K215 WeakPolarHBondContact OD1-CE 3.17Å; D211-K215 IonicContact OD1-NZ 2.78Å; D211-K215 PolarHBondContact OD1-NZ 3.23Å; D211-K215 WeakPolarHBondContact OD2-CE 3.41Å; D211-K215 IonicContact OD2-NZ 3.76Å; D211-K215 PolarHBondContact OD2-NZ 3.37Å
212	L	96.7	Very high	95.5	Very high	18 Å²	18	39.9 Å²	39.9	9%	0.094	22%	0.217	C	C	.	.	H	α-helix	trans	-66.7	-20	174.4	-69.5	175.7	0	0	0	114	L100 I104 C126 V129 T130 G208 A209 I210 K215 F217	L100-L212 HydrophobicContact CB-CD1 4.18Å; L100-L212 HydrophobicContact CD1-CD1 4.49Å; L100-L212 HydrophobicContact CD1-CD2 3.99Å; I104-L212 HydrophobicContact CD1-CD1 3.73Å; I104-L212 HydrophobicContact CD1-CG 4.46Å; C126-L212 VanDerWaalsContact SG-CD1 3.58Å; V129-L212 HydrophobicContact CG1-CB 4.14Å; T130-L212 HydrophobicContact CG2-CD1 3.68Å; G208-L212 WeakPolarHBondContact O-CG 3.36Å; G208-L212 PolarHBondContact O-N 3.47Å; G208-L212 VanDerWaalsContact O-N 3.12Å; A209-L212 PolarHBondContact O-N 3.39Å; I210-L212 VanDerWaalsContact C-N 3.33Å; I210-L212 PolarHBondContact O-N 3.04Å; L212-K215 CarbonylContact C-O 3.56Å; L212-F217 HydrophobicContact CB-CD1 4.32Å; L212-F217 HydrophobicContact CB-CE1 4.45Å; L212-F217 HydrophobicContact CD2-CB 4.47Å; L212-F217 HydrophobicContact CD2-CD1 4.27Å
213	T	96.3	Very high	95.2	Very high	11 Å²	11	39.4 Å²	39.4	7%	0.067	22%	0.215	C	C	.	.	H	α-helix	trans	-84.6	-17.3	169.2	66.1	0	0	0	0	113.2	V129 A209 I210 D211 P255 R260 L263	V129-T213 HydrophobicContact CB-CG2 4.45Å; V129-T213 HydrophobicContact CG1-CG2 3.7Å; V129-T213 HydrophobicContact CG2-CG2 3.81Å; A209-T213 PolarHBondContact O-N 2.77Å; I210-T213 PolarHBondContact O-N 3.45Å; I210-T213 VanDerWaalsContact O-N 3.12Å; I210-T213 PolarHBondContact O-OG1 2.91Å; D211-T213 PolarHBondContact O-N 3.4Å; T213-P255 HydrophobicContact CG2-CB 4.07Å; T213-P255 HydrophobicContact CG2-CG 4.46Å; T213-R260 HydrophobicContact CG2-CB 4.38Å; T213-R260 VanDerWaalsContact OG1-CB 3.26Å; T213-R260 WeakPolarHBondContact OG1-CB 3.31Å; T213-R260 WeakPolarHBondContact OG1-CD 3.46Å; T213-R260 WeakPolarHBondContact OG1-CG 3.44Å; T213-L263 HydrophobicContact CG2-CD1 3.91Å
214	K	95.8	Very high	94.9	Very high	111 Å²	111	37.8 Å²	37.8	48%	0.483	20%	0.202	S	C	.	.	H	α-helix	trans	-86.8	-26.8	177	-69.6	171.4	-179.7	174	0	111.5	I210 D211 E264	I210-K214 HydrophobicContact CG2-CD 4.14Å; I210-K214 VanDerWaalsContact CG2-CE 3.47Å; I210-K214 WeakPolarHBondContact O-CG 3.46Å; I210-K214 PolarHBondContact O-N 3.44Å; D211-K214 WeakPolarHBondContact O-CA 3.46Å; D211-K214 WeakPolarHBondContact O-CB 3.47Å; D211-K214 PolarHBondContact O-N 3.45Å; K214-E264 WeakPolarHBondContact CE-OE1 3.47Å; K214-E264 IonicContact NZ-OE1 3.43Å; K214-E264 PolarHBondContact NZ-OE1 3.45Å
215	K	92	Very high	94.4	Very high	120 Å²	120	38.2 Å²	38.2	52%	0.522	20%	0.203	S	C	.	.	S	Bend	trans	-116.6	129	-178.7	-61.3	170.4	-175.7	162.9	0	108.6	D211 L212	D211-K215 PolarHBondContact O-N 2.9Å; D211-K215 WeakPolarHBondContact OD1-CE 3.17Å; D211-K215 IonicContact OD1-NZ 2.78Å; D211-K215 PolarHBondContact OD1-NZ 3.23Å; D211-K215 WeakPolarHBondContact OD2-CE 3.41Å; D211-K215 IonicContact OD2-NZ 3.76Å; D211-K215 PolarHBondContact OD2-NZ 3.37Å; L212-K215 CarbonylContact C-O 3.56Å
216	A	92	Very high	94	Very high	53 Å²	53	39.1 Å²	39.1	44%	0.438	21%	0.21	S	C	.	.			trans	-60.1	149.3	166.4	0	0	0	0	0	109.7	P252 Y253 S254	A216-P252 HydrophobicContact CB-CB 3.66Å; A216-Y253 VanDerWaalsContact CA-O 3.26Å; A216-Y253 WeakPolarHBondContact CA-O 3.44Å; A216-S254 VanDerWaalsContact CB-OG 3.31Å; A216-S254 WeakPolarHBondContact CB-OG 3.39Å
217	F	94.9	Very high	93.6	Very high	16 Å²	16	39.1 Å²	39.1	7%	0.07	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-136.2	160.9	177.6	59.6	-93.2	0	0	0	111.3	L100 V129 T130 L212 P219 P252 Y253 P255	L100-F217 HydrophobicContact CD1-CB 3.83Å; L100-F217 HydrophobicContact CD1-CD2 3.73Å; L100-F217 HydrophobicContact CD1-CG 3.83Å; V129-F217 HydrophobicContact CG1-CE1 4.06Å; V129-F217 HydrophobicContact CG1-CZ 4.48Å; T130-F217 HydrophobicContact CG2-CE1 4.38Å; T130-F217 HydrophobicContact CG2-CE2 4.06Å; T130-F217 HydrophobicContact CG2-CZ 3.93Å; L212-F217 HydrophobicContact CB-CD1 4.32Å; L212-F217 HydrophobicContact CB-CE1 4.45Å; L212-F217 HydrophobicContact CD2-CB 4.47Å; L212-F217 HydrophobicContact CD2-CD1 4.27Å; F217-P219 WeakPolarHBondContact O-CD 3.36Å; F217-P252 CarbonylContact O-C 3.18Å; F217-P252 WeakPolarHBondContact O-CA 3.41Å; F217-Y253 HydrophobicContact CE1-CD1 4.17Å; F217-Y253 AromaticContact CE2-CD1 3.95Å; F217-Y253 HydrophobicContact CE2-CD1 3.95Å; F217-Y253 AromaticContact CZ-CD1 3.51Å; F217-Y253 HydrophobicContact CZ-CD1 3.51Å; F217-Y253 HydrophobicContact CZ-CE1 4.06Å; F217-Y253 PolarHBondContact N-O 3.03Å; F217-Y253 PolarHBondContact O-N 3.21Å; F217-P255 HydrophobicContact CE1-CG 3.58Å; F217-P255 HydrophobicContact CZ-CG 4.22Å
218	M	95	Very high	93.3	Very high	104 Å²	104	37.9 Å²	37.9	51%	0.512	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-75.3	120	175	-64.6	-53.4	177.3	0	0	109.4	N250 P252	M218-N250 WeakPolarHBondContact CE-O 3.41Å; M218-P252 HydrophobicContact CE-CG 3.69Å; M218-P252 HydrophobicContact SD-CG 4.04Å
219	P	93.9	Very high	92.7	Very high	4 Å²	4	42.2 Å²	42.2	3%	0.026	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-65.9	148.1	-179.8	28.6	-34.2	0	0	0	110.5	F217 L223 I224 L246 D248 T251	F217-P219 WeakPolarHBondContact O-CD 3.36Å; P219-L223 HydrophobicContact CB-CD2 3.87Å; P219-I224 HydrophobicContact CB-CD1 4.1Å; P219-I224 HydrophobicContact CB-CG1 4.3Å; P219-I224 HydrophobicContact CG-CD1 3.64Å; P219-I224 HydrophobicContact CG-CG1 4.02Å; P219-L246 HydrophobicContact CB-CD2 4.03Å; P219-L246 HydrophobicContact CG-CD2 4.41Å; P219-D248 WeakPolarHBondContact CG-O 3.46Å; P219-T251 WeakPolarHBondContact CD-O 3.4Å
220	S	91.1	Very high	92	Very high	12 Å²	12	43.8 Å²	43.8	8%	0.084	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-67.6	154.5	175	61.7	0	0	0	0	111.5	R131 S222 L223 I224	R131-S220 WeakPolarHBondContact CD-OG 3.31Å; S220-S222 VanDerWaalsContact C-N 3.28Å; S220-S222 PolarHBondContact O-N 3.21Å; S220-L223 WeakPolarHBondContact O-CB 3.42Å; S220-L223 PolarHBondContact O-N 3.41Å; S220-L223 VanDerWaalsContact O-N 3.1Å; S220-L223 PolarHBondContact OG-N 3.05Å; S220-I224 PolarHBondContact O-N 2.82Å; S220-I224 VanDerWaalsContact O-N 3.13Å
221	K	88.8	Confident	91.3	Very high	63 Å²	63	46.4 Å²	46.4	27%	0.274	23%	0.232	S	C	.	.	H	α-helix	trans	-53.9	-44.8	173.9	-175.4	165.3	171.9	-177	0	112.8	L223 I224 E225 E249 F673	K221-L223 VanDerWaalsContact C-N 3.28Å; K221-L223 PolarHBondContact O-N 3.14Å; K221-I224 PolarHBondContact O-N 3.33Å; K221-I224 VanDerWaalsContact O-N 3.11Å; K221-E225 WeakPolarHBondContact CE-OE1 3.22Å; K221-E225 HydrophobicContact CG-CG 4.45Å; K221-E225 WeakPolarHBondContact O-CG 3.43Å; K221-E225 PolarHBondContact O-N 3.05Å; K221-E249 HydrophobicContact CB-CG 4.32Å; K221-E249 WeakPolarHBondContact CB-OE2 3.36Å; K221-F673 HydrophobicContact CB-CB 3.87Å; K221-F673 HydrophobicContact CD-CB 4.01Å; K221-F673 HydrophobicContact CD-CD1 3.97Å; K221-F673 HydrophobicContact CD-CG 4.4Å; K221-F673 HydrophobicContact CG-CB 3.97Å; K221-F673 HydrophobicContact CG-CD1 4.27Å; K221-F673 HydrophobicContact CG-CG 4.37Å
222	S	88.1	Confident	90.3	Very high	10 Å²	10	48.9 Å²	48.9	7%	0.07	25%	0.25	C	C	.	.	H	α-helix	trans	-55	-42.6	177.2	-53.9	0	0	0	0	111.9	D97 S220 A226	D97-S222 PolarHBondContact OD2-OG 3.37Å; S220-S222 VanDerWaalsContact C-N 3.28Å; S220-S222 PolarHBondContact O-N 3.21Å; S222-A226 WeakPolarHBondContact O-CB 3.33Å; S222-A226 PolarHBondContact O-N 3.29Å
223	L	92.4	Very high	89	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-67	-41.7	177.5	175.3	60.4	0	0	0	112.2	T130 P132 D133 P219 S220 K221 A226 A227 L246 F466	T130-L223 WeakPolarHBondContact O-CD2 2.95Å; P132-L223 HydrophobicContact CG-CD1 4.01Å; P132-L223 HydrophobicContact CG-CD2 4.46Å; D133-L223 HydrophobicContact CB-CD1 3.88Å; D133-L223 WeakPolarHBondContact OD1-CD1 3.4Å; P219-L223 HydrophobicContact CB-CD2 3.87Å; S220-L223 WeakPolarHBondContact O-CB 3.42Å; S220-L223 PolarHBondContact O-N 3.41Å; S220-L223 VanDerWaalsContact O-N 3.1Å; S220-L223 PolarHBondContact OG-N 3.05Å; K221-L223 VanDerWaalsContact C-N 3.28Å; K221-L223 PolarHBondContact O-N 3.14Å; L223-A226 PolarHBondContact O-N 2.63Å; L223-A227 WeakPolarHBondContact O-CB 3.47Å; L223-A227 PolarHBondContact O-N 2.83Å; L223-L246 HydrophobicContact CD1-CD1 3.84Å; L223-L246 HydrophobicContact CD2-CD1 4.25Å; L223-L246 HydrophobicContact CD2-CD2 3.62Å; L223-L246 HydrophobicContact CG-CD1 3.99Å; L223-L246 HydrophobicContact CG-CD2 3.99Å; L223-F466 HydrophobicContact CD1-CE1 4.34Å; L223-F466 HydrophobicContact CD1-CZ 3.86Å
224	I	92.7	Very high	87.3	Confident	11 Å²	11	60.7 Å²	60.7	6%	0.056	31%	0.312	C	S	.	.	H	α-helix	trans	-63.9	-42.3	177.9	-66.6	-58	0	0	0	111.3	P219 S220 K221 A227 N228 L246 E249	P219-I224 HydrophobicContact CB-CD1 4.1Å; P219-I224 HydrophobicContact CB-CG1 4.3Å; P219-I224 HydrophobicContact CG-CD1 3.64Å; P219-I224 HydrophobicContact CG-CG1 4.02Å; S220-I224 PolarHBondContact O-N 2.82Å; S220-I224 VanDerWaalsContact O-N 3.13Å; K221-I224 PolarHBondContact O-N 3.33Å; K221-I224 VanDerWaalsContact O-N 3.11Å; I224-A227 PolarHBondContact O-N 2.79Å; I224-N228 WeakPolarHBondContact CG2-ND2 3.5Å; I224-N228 WeakPolarHBondContact O-CB 3.37Å; I224-N228 PolarHBondContact O-N 3.28Å; I224-N228 PolarHBondContact O-ND2 3.02Å; I224-L246 HydrophobicContact CD1-CB 4.08Å; I224-L246 HydrophobicContact CD1-CD2 4.45Å; I224-E249 HydrophobicContact CG1-CG 4.08Å
225	E	87.9	Confident	85.7	Confident	75 Å²	75	56.4 Å²	56.4	35%	0.35	30%	0.296	S	S	.	.	H	α-helix	trans	-63.5	-45.7	176.3	-71.8	-179.2	179.6	0	0	111.8	K221 A227 N228 K229 F673	K221-E225 WeakPolarHBondContact CE-OE1 3.22Å; K221-E225 HydrophobicContact CG-CG 4.45Å; K221-E225 WeakPolarHBondContact O-CG 3.43Å; K221-E225 PolarHBondContact O-N 3.05Å; E225-A227 VanDerWaalsContact C-N 3.34Å; E225-A227 PolarHBondContact O-N 2.96Å; E225-N228 PolarHBondContact O-N 2.93Å; E225-K229 WeakPolarHBondContact O-CB 3.44Å; E225-K229 PolarHBondContact O-N 3.47Å; E225-F673 WeakPolarHBondContact OE1-CE1 3.31Å; E225-F673 WeakPolarHBondContact OE2-CE1 3.46Å; E225-F673 WeakPolarHBondContact OE2-CE2 3.39Å; E225-F673 WeakPolarHBondContact OE2-CZ 3.37Å
226	A	89.2	Confident	84.3	Confident	20 Å²	20	53.6 Å²	53.6	17%	0.165	29%	0.29	C	S	.	.	H	α-helix	trans	-59.4	-43.7	174.9	0	0	0	0	0	111.9	D133 S222 L223 K229 L230 F466	D133-A226 HydrophobicContact CB-CB 3.81Å; S222-A226 WeakPolarHBondContact O-CB 3.33Å; S222-A226 PolarHBondContact O-N 3.29Å; L223-A226 PolarHBondContact O-N 2.63Å; A226-K229 PolarHBondContact O-N 2.74Å; A226-L230 PolarHBondContact O-N 3.36Å; A226-F466 HydrophobicContact CB-CE2 4.19Å
227	A	91.7	Very high	83.3	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-64.1	-43	176.9	0	0	0	0	0	112.1	L223 I224 E225 L230 K231 L243 L246 F466	L223-A227 WeakPolarHBondContact O-CB 3.47Å; L223-A227 PolarHBondContact O-N 2.83Å; I224-A227 PolarHBondContact O-N 2.79Å; E225-A227 VanDerWaalsContact C-N 3.34Å; E225-A227 PolarHBondContact O-N 2.96Å; A227-L230 PolarHBondContact O-N 2.91Å; A227-K231 WeakPolarHBondContact O-CG 3.49Å; A227-K231 PolarHBondContact O-N 3.29Å; A227-L243 HydrophobicContact CB-CD2 3.84Å; A227-L246 HydrophobicContact CB-CB 3.87Å; A227-L246 HydrophobicContact CB-CD1 3.85Å; A227-F466 HydrophobicContact CB-CZ 4.31Å
228	N	89.6	Confident	82.5	Confident	67 Å²	67	60.9 Å²	60.9	36%	0.358	32%	0.317	S	S	.	.	H	α-helix	trans	-66.3	-39.3	179.1	-73.3	-23.2	0	0	0	112.1	I224 E225 L230 K231 T232	I224-N228 WeakPolarHBondContact CG2-ND2 3.5Å; I224-N228 WeakPolarHBondContact O-CB 3.37Å; I224-N228 PolarHBondContact O-N 3.28Å; I224-N228 PolarHBondContact O-ND2 3.02Å; E225-N228 PolarHBondContact O-N 2.93Å; N228-L230 VanDerWaalsContact C-N 3.26Å; N228-L230 PolarHBondContact O-N 3.46Å; N228-K231 PolarHBondContact O-N 2.81Å; N228-K231 PolarHBondContact OD1-NZ 3.38Å; N228-T232 PolarHBondContact O-N 2.92Å
229	K	84.9	Confident	82	Confident	110 Å²	110	56.1 Å²	56.1	48%	0.478	29%	0.294	S	S	.	.	H	α-helix	trans	-60.8	-34.4	173.4	-172.8	176	176.7	-177.4	0	112.2	E225 A226 T232 L233 G438	E225-K229 WeakPolarHBondContact O-CB 3.44Å; E225-K229 PolarHBondContact O-N 3.47Å; A226-K229 PolarHBondContact O-N 2.74Å; K229-T232 PolarHBondContact O-OG1 2.87Å; K229-L233 WeakPolarHBondContact O-CG 3.37Å; K229-G438 PolarHBondContact NZ-O 3.29Å
230	L	83.9	Confident	81.6	Confident	33 Å²	33	60.6 Å²	60.6	17%	0.173	31%	0.313	C	S	.	.	H	α-helix	trans	-75.4	-37.6	174.7	-80.4	-170.9	0	0	0	113.4	A226 A227 N228 T232 L233 S235 L239 L243 F466	A226-L230 PolarHBondContact O-N 3.36Å; A227-L230 PolarHBondContact O-N 2.91Å; N228-L230 VanDerWaalsContact C-N 3.26Å; N228-L230 PolarHBondContact O-N 3.46Å; L230-T232 VanDerWaalsContact C-N 3.26Å; L230-T232 PolarHBondContact O-N 2.86Å; L230-L233 PolarHBondContact O-N 2.84Å; L230-L233 VanDerWaalsContact O-N 3.15Å; L230-S235 VanDerWaalsContact C-OG 3.29Å; L230-S235 WeakPolarHBondContact CB-OG 3.22Å; L230-S235 PolarHBondContact O-OG 3.1Å; L230-L239 HydrophobicContact CD1-CD1 3.91Å; L230-L243 HydrophobicContact CB-CD1 4.37Å; L230-L243 HydrophobicContact CB-CD2 4.49Å; L230-F466 HydrophobicContact CD1-CB 4.11Å; L230-F466 HydrophobicContact CD1-CD2 3.18Å; L230-F466 HydrophobicContact CD1-CE2 3.71Å; L230-F466 HydrophobicContact CD1-CG 3.83Å; L230-F466 HydrophobicContact CG-CD2 4.28Å
231	K	84	Confident	81.3	Confident	75 Å²	75	63.9 Å²	63.9	33%	0.326	33%	0.334	S	S	.	.	H	α-helix	trans	-60.1	-35.8	178.5	-72.4	171.1	-168.3	167.9	0	112.4	A227 N228 L233 L243 L246	A227-K231 WeakPolarHBondContact O-CG 3.49Å; A227-K231 PolarHBondContact O-N 3.29Å; N228-K231 PolarHBondContact O-N 2.81Å; N228-K231 PolarHBondContact OD1-NZ 3.38Å; K231-L233 VanDerWaalsContact C-N 3.27Å; K231-L233 PolarHBondContact O-N 2.79Å; K231-L243 WeakPolarHBondContact CE-O 3.49Å; K231-L243 HydrophobicContact CG-CB 4.37Å; K231-L243 HydrophobicContact CG-CD1 4.49Å; K231-L243 PolarHBondContact NZ-O 3.43Å; K231-L246 PolarHBondContact NZ-O 2.79Å
232	T	75.5	Confident	81.4	Confident	113 Å²	113	61.8 Å²	61.8	69%	0.693	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-18	179.4	57.2	0	0	0	0	113.7	N228 K229 L230	N228-T232 PolarHBondContact O-N 2.92Å; K229-T232 PolarHBondContact O-OG1 2.87Å; L230-T232 VanDerWaalsContact C-N 3.26Å; L230-T232 PolarHBondContact O-N 2.86Å
233	L	69.7	Low	81.5	Confident	121 Å²	121	61.5 Å²	61.5	63%	0.634	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	10.9	-177.6	-66.8	172.2	0	0	0	114.3	K229 L230 K231	K229-L233 WeakPolarHBondContact O-CG 3.37Å; L230-L233 PolarHBondContact O-N 2.84Å; L230-L233 VanDerWaalsContact O-N 3.15Å; K231-L233 VanDerWaalsContact C-N 3.27Å; K231-L233 PolarHBondContact O-N 2.79Å
234	N	60.6	Low	81.4	Confident	157 Å²	157	67 Å²	67	84%	0.84	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	53.7	-173.1	-71.2	-27.5	0	0	0	112.6
235	S	62.2	Low	81.4	Confident	21 Å²	21	69.8 Å²	69.8	15%	0.147	37%	0.366	C	S	.	.			trans	-51.9	159.6	-174.3	-83.1	0	0	0	0	116.4	L230	L230-S235 VanDerWaalsContact C-OG 3.29Å; L230-S235 WeakPolarHBondContact CB-OG 3.22Å; L230-S235 PolarHBondContact O-OG 3.1Å
236	P	62.1	Low	81.7	Confident	61 Å²	61	66.2 Å²	66.2	40%	0.396	35%	0.349	S	S	.	.			trans	-56.5	143	177.1	-19.4	29.7	0	0	0	112.7	F238 L239	P236-F238 HydrophobicContact CB-CD2 4.25Å; P236-F238 PolarHBondContact O-N 3.26Å; P236-L239 PolarHBondContact O-N 2.77Å
237	D	71.8	Confident	81.7	Confident	113 Å²	113	69.8 Å²	69.8	60%	0.604	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-53.9	-27.9	-179.7	-75.2	-31	0	0	0	113.6	L239 K240	D237-L239 PolarHBondContact O-N 2.91Å; D237-K240 WeakPolarHBondContact O-CB 3.32Å; D237-K240 PolarHBondContact O-N 3.08Å; D237-K240 WeakPolarHBondContact OD1-CE 3.35Å; D237-K240 IonicContact OD1-NZ 3.48Å; D237-K240 PolarHBondContact OD1-NZ 2.74Å
238	F	78.1	Confident	81.7	Confident	109 Å²	109	72.7 Å²	72.7	48%	0.478	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-65.9	-32.4	-177.3	-57.2	-69.7	0	0	0	114.3	P236 P241 G469 Q470	P236-F238 HydrophobicContact CB-CD2 4.25Å; P236-F238 PolarHBondContact O-N 3.26Å; F238-P241 WeakPolarHBondContact O-CD 3.38Å; F238-G469 WeakPolarHBondContact CB-O 3.35Å; F238-Q470 HydrophobicContact CD2-CG 4.16Å
239	L	84.4	Confident	81.7	Confident	3 Å²	3	73.6 Å²	73.6	2%	0.016	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-86.6	-14.5	-179.9	-70.5	-175.6	0	0	0	113.2	L230 P236 D237 P241 I242 L243 F466 G469	L230-L239 HydrophobicContact CD1-CD1 3.91Å; P236-L239 PolarHBondContact O-N 2.77Å; D237-L239 PolarHBondContact O-N 2.91Å; L239-P241 VanDerWaalsContact C-CD 3.41Å; L239-P241 VanDerWaalsContact C-N 3.31Å; L239-I242 PolarHBondContact O-N 3.44Å; L239-L243 HydrophobicContact CB-CD1 3.82Å; L239-L243 HydrophobicContact CB-CG 4.02Å; L239-L243 WeakPolarHBondContact O-CG 3.42Å; L239-L243 PolarHBondContact O-N 3.08Å; L239-F466 HydrophobicContact CD1-CB 3.75Å; L239-F466 HydrophobicContact CD1-CG 4.17Å; L239-F466 HydrophobicContact CD2-CB 4.38Å; L239-G469 WeakPolarHBondContact CD2-O 3.49Å; L239-G469 VanDerWaalsContact CG-O 3.31Å; L239-G469 WeakPolarHBondContact CG-O 3.47Å
240	K	85.2	Confident	82.1	Confident	98 Å²	98	74.7 Å²	74.7	43%	0.426	39%	0.393	S	S	.	.	H	α-helix	trans	-49.7	-44	-176.2	-71.5	-179.4	173.8	172	0	113.2	D237 I242 L243 N244	D237-K240 WeakPolarHBondContact O-CB 3.32Å; D237-K240 PolarHBondContact O-N 3.08Å; D237-K240 WeakPolarHBondContact OD1-CE 3.35Å; D237-K240 IonicContact OD1-NZ 3.48Å; D237-K240 PolarHBondContact OD1-NZ 2.74Å; K240-I242 VanDerWaalsContact C-N 3.29Å; K240-I242 PolarHBondContact O-N 3.16Å; K240-L243 PolarHBondContact O-N 2.98Å; K240-N244 WeakPolarHBondContact O-CB 3.35Å; K240-N244 PolarHBondContact O-N 2.85Å; K240-N244 PolarHBondContact O-ND2 2.86Å; K240-N244 PolarHBondContact O-OD1 3.03Å
241	P	85.6	Confident	82.6	Confident	82 Å²	82	75.1 Å²	75.1	53%	0.532	40%	0.397	S	S	.	.	H	α-helix	trans	-60.8	-34.1	178.8	-24.5	35.8	0	0	0	114.3	F238 L239 Q245	F238-P241 WeakPolarHBondContact O-CD 3.38Å; L239-P241 VanDerWaalsContact C-CD 3.41Å; L239-P241 VanDerWaalsContact C-N 3.31Å; P241-Q245 PolarHBondContact O-NE2 2.71Å
242	I	90.4	Very high	83.1	Confident	18 Å²	18	74.7 Å²	74.7	9%	0.092	40%	0.402	C	S	.	.	H	α-helix	trans	-79.2	-48.6	176.3	-66.5	-174.2	0	0	0	110.2	L239 K240 N244 Q245 L246 Y253 F466 I471 H478	L239-I242 PolarHBondContact O-N 3.44Å; K240-I242 VanDerWaalsContact C-N 3.29Å; K240-I242 PolarHBondContact O-N 3.16Å; I242-N244 PolarHBondContact O-N 3.24Å; I242-Q245 WeakPolarHBondContact O-CB 3.4Å; I242-Q245 PolarHBondContact O-N 3.07Å; I242-L246 HydrophobicContact CG2-CD1 3.89Å; I242-L246 HydrophobicContact CG2-CG 4.42Å; I242-L246 PolarHBondContact O-N 3.42Å; I242-Y253 HydrophobicContact CG2-CE2 4.19Å; I242-F466 HydrophobicContact CG2-CE1 4.36Å; I242-I471 HydrophobicContact CD1-CD1 3.34Å; I242-I471 HydrophobicContact CG1-CD1 4.3Å; I242-H478 WeakPolarHBondContact CD1-NE2 3.35Å
243	L	90.4	Very high	84.1	Confident	5 Å²	5	69.9 Å²	69.9	3%	0.026	37%	0.371	C	S	.	.	H	α-helix	trans	-61.1	-31.8	-178.6	-64.3	177.6	0	0	0	112.4	A227 L230 K231 L239 K240 Q245 L246 F466	A227-L243 HydrophobicContact CB-CD2 3.84Å; L230-L243 HydrophobicContact CB-CD1 4.37Å; L230-L243 HydrophobicContact CB-CD2 4.49Å; K231-L243 WeakPolarHBondContact CE-O 3.49Å; K231-L243 HydrophobicContact CG-CB 4.37Å; K231-L243 HydrophobicContact CG-CD1 4.49Å; K231-L243 PolarHBondContact NZ-O 3.43Å; L239-L243 HydrophobicContact CB-CD1 3.82Å; L239-L243 HydrophobicContact CB-CG 4.02Å; L239-L243 WeakPolarHBondContact O-CG 3.42Å; L239-L243 PolarHBondContact O-N 3.08Å; K240-L243 PolarHBondContact O-N 2.98Å; L243-Q245 VanDerWaalsContact C-N 3.29Å; L243-Q245 PolarHBondContact O-N 3Å; L243-L246 PolarHBondContact O-N 2.57Å; L243-F466 HydrophobicContact CD2-CE1 4.46Å; L243-F466 HydrophobicContact CD2-CZ 4.16Å
244	N	89.7	Confident	85.3	Confident	114 Å²	114	66.8 Å²	66.8	61%	0.61	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-22.9	176.3	-70.8	-9.8	0	0	0	113.3	K240 I242 I247	K240-N244 WeakPolarHBondContact O-CB 3.35Å; K240-N244 PolarHBondContact O-N 2.85Å; K240-N244 PolarHBondContact O-ND2 2.86Å; K240-N244 PolarHBondContact O-OD1 3.03Å; I242-N244 PolarHBondContact O-N 3.24Å; N244-I247 WeakPolarHBondContact O-CG1 2.93Å
245	Q	93.2	Very high	86.9	Confident	71 Å²	71	59.9 Å²	59.9	33%	0.332	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-30.5	173.1	-67.3	-179.7	62.1	0	0	112	P241 I242 L243 I247 Y253 S254	P241-Q245 PolarHBondContact O-NE2 2.71Å; I242-Q245 WeakPolarHBondContact O-CB 3.4Å; I242-Q245 PolarHBondContact O-N 3.07Å; L243-Q245 VanDerWaalsContact C-N 3.29Å; L243-Q245 PolarHBondContact O-N 3Å; Q245-I247 PolarHBondContact O-N 2.93Å; Q245-Y253 HydrophobicContact CB-CD2 3.89Å; Q245-Y253 HydrophobicContact CB-CE2 4.3Å; Q245-S254 PolarHBondContact OE1-O 2.94Å; Q245-S254 VanDerWaalsContact OE1-O 3.13Å
246	L	93	Very high	88.4	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.332	C	S	.	.			trans	-81.1	68.3	180	-63.1	176	0	0	0	110.8	P219 L223 I224 A227 K231 I242 L243 Y253 F466	P219-L246 HydrophobicContact CB-CD2 4.03Å; P219-L246 HydrophobicContact CG-CD2 4.41Å; L223-L246 HydrophobicContact CD1-CD1 3.84Å; L223-L246 HydrophobicContact CD2-CD1 4.25Å; L223-L246 HydrophobicContact CD2-CD2 3.62Å; L223-L246 HydrophobicContact CG-CD1 3.99Å; L223-L246 HydrophobicContact CG-CD2 3.99Å; I224-L246 HydrophobicContact CD1-CB 4.08Å; I224-L246 HydrophobicContact CD1-CD2 4.45Å; A227-L246 HydrophobicContact CB-CB 3.87Å; A227-L246 HydrophobicContact CB-CD1 3.85Å; K231-L246 PolarHBondContact NZ-O 2.79Å; I242-L246 HydrophobicContact CG2-CD1 3.89Å; I242-L246 HydrophobicContact CG2-CG 4.42Å; I242-L246 PolarHBondContact O-N 3.42Å; L243-L246 PolarHBondContact O-N 2.57Å; L246-Y253 HydrophobicContact CD2-CD1 4.29Å; L246-Y253 HydrophobicContact CD2-CD2 3.65Å; L246-Y253 HydrophobicContact CD2-CE2 4.17Å; L246-Y253 HydrophobicContact CD2-CG 3.73Å; L246-Y253 HydrophobicContact CG-CD2 4.23Å; L246-Y253 HydrophobicContact CG-CE2 4.45Å; L246-F466 HydrophobicContact CD1-CE1 4.25Å; L246-F466 HydrophobicContact CD1-CZ 4.11Å
247	I	89	Confident	90	Very high	94 Å²	94	61.5 Å²	61.5	48%	0.482	33%	0.333	S	S	.	.			trans	-80.5	-60.3	-176.3	-58.8	177.8	0	0	0	110.6	N244 Q245 T251	N244-I247 WeakPolarHBondContact O-CG1 2.93Å; Q245-I247 PolarHBondContact O-N 2.93Å; I247-T251 HydrophobicContact CB-CG2 4.49Å; I247-T251 HydrophobicContact CD1-CG2 4.3Å
248	D	92.4	Very high	91.2	Very high	62 Å²	62	60 Å²	60	33%	0.332	32%	0.323	S	S	.	.			trans	-153.1	176.4	-179.8	60.6	37.8	0	0	0	110.7	P219 N250 T251	P219-D248 WeakPolarHBondContact CG-O 3.46Å; D248-N250 PolarHBondContact O-N 2.89Å; D248-N250 WeakPolarHBondContact OD1-CA 3.47Å; D248-N250 PolarHBondContact OD1-N 3.25Å; D248-T251 PolarHBondContact O-N 3.02Å; D248-T251 WeakPolarHBondContact OD1-CB 3.34Å; D248-T251 PolarHBondContact OD1-N 3.07Å; D248-T251 PolarHBondContact OD1-OG1 3.21Å
249	E	89.9	Confident	92.1	Very high	85 Å²	85	55.4 Å²	55.4	40%	0.397	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-10.5	-178.8	-60.5	175.2	-112.4	0	0	113.6	K221 I224	K221-E249 HydrophobicContact CB-CG 4.32Å; K221-E249 WeakPolarHBondContact CB-OE2 3.36Å; I224-E249 HydrophobicContact CG1-CG 4.08Å
250	N	93.3	Very high	92.7	Very high	133 Å²	133	58.6 Å²	58.6	71%	0.711	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-4.2	-177.8	-60.9	-59.8	0	0	0	112.8	M218 D248	M218-N250 WeakPolarHBondContact CE-O 3.41Å; D248-N250 PolarHBondContact O-N 2.89Å; D248-N250 WeakPolarHBondContact OD1-CA 3.47Å; D248-N250 PolarHBondContact OD1-N 3.25Å
251	T	94.3	Very high	93.4	Very high	42 Å²	42	57 Å²	57	26%	0.258	31%	0.311	S	S	.	.	S	Bend	trans	-99.4	118.4	179	-58.4	0	0	0	0	109.2	P219 I247 D248 Y253	P219-T251 WeakPolarHBondContact CD-O 3.4Å; I247-T251 HydrophobicContact CB-CG2 4.49Å; I247-T251 HydrophobicContact CD1-CG2 4.3Å; D248-T251 PolarHBondContact O-N 3.02Å; D248-T251 WeakPolarHBondContact OD1-CB 3.34Å; D248-T251 PolarHBondContact OD1-N 3.07Å; D248-T251 PolarHBondContact OD1-OG1 3.21Å; T251-Y253 PolarHBondContact O-N 2.9Å
252	P	94.9	Very high	94	Very high	67 Å²	67	53.2 Å²	53.2	44%	0.435	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-59.9	125.5	179.3	-22.9	31.8	0	0	0	112.3	A216 F217 M218	A216-P252 HydrophobicContact CB-CB 3.66Å; F217-P252 CarbonylContact O-C 3.18Å; F217-P252 WeakPolarHBondContact O-CA 3.41Å; M218-P252 HydrophobicContact CE-CG 3.69Å; M218-P252 HydrophobicContact SD-CG 4.04Å
253	Y	95.4	Very high	94.4	Very high	11 Å²	11	52.4 Å²	52.4	4%	0.043	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-88.1	134.2	170.8	173.9	-119.4	0	0	0	110.2	A216 F217 I242 Q245 L246 T251 P255	A216-Y253 VanDerWaalsContact CA-O 3.26Å; A216-Y253 WeakPolarHBondContact CA-O 3.44Å; F217-Y253 HydrophobicContact CE1-CD1 4.17Å; F217-Y253 AromaticContact CE2-CD1 3.95Å; F217-Y253 HydrophobicContact CE2-CD1 3.95Å; F217-Y253 AromaticContact CZ-CD1 3.51Å; F217-Y253 HydrophobicContact CZ-CD1 3.51Å; F217-Y253 HydrophobicContact CZ-CE1 4.06Å; F217-Y253 PolarHBondContact N-O 3.03Å; F217-Y253 PolarHBondContact O-N 3.21Å; I242-Y253 HydrophobicContact CG2-CE2 4.19Å; Q245-Y253 HydrophobicContact CB-CD2 3.89Å; Q245-Y253 HydrophobicContact CB-CE2 4.3Å; L246-Y253 HydrophobicContact CD2-CD1 4.29Å; L246-Y253 HydrophobicContact CD2-CD2 3.65Å; L246-Y253 HydrophobicContact CD2-CE2 4.17Å; L246-Y253 HydrophobicContact CD2-CG 3.73Å; L246-Y253 HydrophobicContact CG-CD2 4.23Å; L246-Y253 HydrophobicContact CG-CE2 4.45Å; T251-Y253 PolarHBondContact O-N 2.9Å; Y253-P255 HydrophobicContact CD1-CG 4.41Å; Y253-P255 HydrophobicContact CE1-CG 4.04Å
254	S	94.7	Very high	94.7	Very high	57 Å²	57	55.1 Å²	55.1	40%	0.399	29%	0.294	S	S	.	.			trans	-116.5	107.2	179.2	-62.9	0	0	0	0	110.5	A216 Q245	A216-S254 VanDerWaalsContact CB-OG 3.31Å; A216-S254 WeakPolarHBondContact CB-OG 3.39Å; Q245-S254 PolarHBondContact OE1-O 2.94Å; Q245-S254 VanDerWaalsContact OE1-O 3.13Å
255	P	94.3	Very high	95.2	Very high	12 Å²	12	53.3 Å²	53.3	8%	0.078	28%	0.282	C	S	.	.			trans	-59.2	154.9	173.3	-22.8	32.5	0	0	0	112.6	V129 T213 F217 Y253 L259	V129-P255 HydrophobicContact CG1-CB 4.09Å; V129-P255 HydrophobicContact CG1-CG 3.52Å; T213-P255 HydrophobicContact CG2-CB 4.07Å; T213-P255 HydrophobicContact CG2-CG 4.46Å; F217-P255 HydrophobicContact CE1-CG 3.58Å; F217-P255 HydrophobicContact CZ-CG 4.22Å; Y253-P255 HydrophobicContact CD1-CG 4.41Å; Y253-P255 HydrophobicContact CE1-CG 4.04Å; P255-L259 HydrophobicContact CB-CD2 4.48Å
256	S	93.4	Very high	95.4	Very high	45 Å²	45	49.9 Å²	49.9	32%	0.315	27%	0.266	S	S	.	.			trans	-64.8	147.5	-178.8	71.1	0	0	0	0	113.1	E258 L259 R260	S256-E258 WeakPolarHBondContact CB-OE2 3.3Å; S256-E258 PolarHBondContact O-N 2.9Å; S256-L259 PolarHBondContact O-N 3.33Å; S256-L259 WeakPolarHBondContact OG-CB 3.37Å; S256-L259 PolarHBondContact OG-N 3.24Å; S256-L259 VanDerWaalsContact OG-N 3.13Å; S256-R260 PolarHBondContact O-N 3.09Å
257	V	96.1	Very high	95.7	Very high	71 Å²	71	50.4 Å²	50.4	43%	0.43	27%	0.27	S	S	.	.	H	α-helix	trans	-65.1	-30.8	174.4	171.3	0	0	0	0	110.8	R260 N261	V257-R260 WeakPolarHBondContact O-CB 3.44Å; V257-R260 PolarHBondContact O-N 2.89Å; V257-N261 PolarHBondContact O-N 3.19Å; V257-N261 PolarHBondContact O-ND2 3.38Å; V257-N261 PolarHBondContact O-OD1 3.17Å
258	E	96.7	Very high	96.1	Very high	82 Å²	82	51.9 Å²	51.9	38%	0.383	28%	0.279	S	S	.	.	H	α-helix	trans	-60.9	-45.7	175.2	-65.7	75.2	-171.8	0	0	111.4	S256 R260 N261 T262 T475	S256-E258 WeakPolarHBondContact CB-OE2 3.3Å; S256-E258 PolarHBondContact O-N 2.9Å; E258-R260 VanDerWaalsContact C-N 3.33Å; E258-R260 PolarHBondContact O-N 3.43Å; E258-N261 PolarHBondContact O-N 2.78Å; E258-T262 PolarHBondContact O-N 3.33Å; E258-T262 PolarHBondContact O-OG1 3.45Å; E258-T475 CarbonylContact C-O 3.5Å
259	L	97.5	Very high	96.3	Very high	12 Å²	12	53.9 Å²	53.9	6%	0.063	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-42.7	176.1	179.3	58.9	0	0	0	111.1	V129 L137 P255 S256 N261 T262 L263	V129-L259 HydrophobicContact CG2-CD2 4.17Å; L137-L259 HydrophobicContact CD1-CD1 3.81Å; L137-L259 HydrophobicContact CG-CD1 4.43Å; P255-L259 HydrophobicContact CB-CD2 4.48Å; S256-L259 PolarHBondContact O-N 3.33Å; S256-L259 WeakPolarHBondContact OG-CB 3.37Å; S256-L259 PolarHBondContact OG-N 3.24Å; S256-L259 VanDerWaalsContact OG-N 3.13Å; L259-N261 PolarHBondContact O-N 2.83Å; L259-T262 PolarHBondContact O-N 3.48Å; L259-L263 HydrophobicContact CD1-CG 4.46Å; L259-L263 HydrophobicContact CG-CD1 4.27Å; L259-L263 WeakPolarHBondContact O-CG 3.21Å; L259-L263 PolarHBondContact O-N 2.98Å
260	R	98.1	Very high	96.6	Very high	69 Å²	69	54.1 Å²	54.1	26%	0.26	28%	0.284	S	S	.	.	H	α-helix	trans	-56.7	-49.8	175	-179.2	177.1	71.2	-170.8	3.7	111.8	T213 S256 V257 E258 T262 L263 E264	T213-R260 HydrophobicContact CG2-CB 4.38Å; T213-R260 VanDerWaalsContact OG1-CB 3.26Å; T213-R260 WeakPolarHBondContact OG1-CB 3.31Å; T213-R260 WeakPolarHBondContact OG1-CD 3.46Å; T213-R260 WeakPolarHBondContact OG1-CG 3.44Å; S256-R260 PolarHBondContact O-N 3.09Å; V257-R260 WeakPolarHBondContact O-CB 3.44Å; V257-R260 PolarHBondContact O-N 2.89Å; E258-R260 VanDerWaalsContact C-N 3.33Å; E258-R260 PolarHBondContact O-N 3.43Å; R260-T262 VanDerWaalsContact C-N 3.3Å; R260-T262 PolarHBondContact O-N 3.37Å; R260-L263 WeakPolarHBondContact O-CB 3.45Å; R260-L263 PolarHBondContact O-N 3.35Å; R260-E264 PolarHBondContact O-N 3.2Å
261	N	98.2	Very high	96.8	Very high	65 Å²	65	49.2 Å²	49.2	35%	0.348	26%	0.258	S	S	.	.	H	α-helix	trans	-62.1	-41.1	-179	-64	-13.7	0	0	0	110.7	V257 E258 L259 L263 E264 H265	V257-N261 PolarHBondContact O-N 3.19Å; V257-N261 PolarHBondContact O-ND2 3.38Å; V257-N261 PolarHBondContact O-OD1 3.17Å; E258-N261 PolarHBondContact O-N 2.78Å; L259-N261 PolarHBondContact O-N 2.83Å; N261-L263 PolarHBondContact O-N 2.9Å; N261-E264 PolarHBondContact O-N 3.15Å; N261-H265 PolarHBondContact O-CD2 3.35Å; N261-H265 PolarHBondContact O-N 3.35Å
262	T	98.4	Very high	96.8	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-60	-44.9	174.2	-63.6	0	0	0	0	111.7	L137 E258 L259 R260 H265 L266 Y273 F282 T475 V477	L137-T262 HydrophobicContact CD1-CG2 3.69Å; E258-T262 PolarHBondContact O-N 3.33Å; E258-T262 PolarHBondContact O-OG1 3.45Å; L259-T262 PolarHBondContact O-N 3.48Å; R260-T262 VanDerWaalsContact C-N 3.3Å; R260-T262 PolarHBondContact O-N 3.37Å; T262-H265 PolarHBondContact O-N 2.99Å; T262-L266 HydrophobicContact CG2-CD1 4.1Å; T262-L266 WeakPolarHBondContact O-CB 3.43Å; T262-L266 VanDerWaalsContact O-CG 3.28Å; T262-L266 WeakPolarHBondContact O-CG 3.26Å; T262-L266 PolarHBondContact O-N 3.01Å; T262-Y273 HydrophobicContact CG2-CE1 4.29Å; T262-F282 HydrophobicContact CG2-CD2 4.47Å; T262-F282 HydrophobicContact CG2-CE2 4.37Å; T262-T475 WeakPolarHBondContact CB-O 3.5Å; T262-T475 PolarHBondContact OG1-O 3.25Å; T262-V477 HydrophobicContact CG2-CG2 4.13Å
263	L	98.7	Very high	96.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.6	-42.1	175.6	-71.7	168.4	0	0	0	112.4	L125 V129 L137 F206 A209 I210 T213 L259 R260 N261 L266 A267	L125-L263 HydrophobicContact CD2-CD2 4.39Å; V129-L263 HydrophobicContact CG2-CD1 3.68Å; L137-L263 HydrophobicContact CD1-CD2 4.05Å; L137-L263 HydrophobicContact CD1-CG 4.43Å; L137-L263 HydrophobicContact CD2-CD2 4.17Å; F206-L263 HydrophobicContact CD1-CB 4.34Å; F206-L263 HydrophobicContact CD1-CD2 4.03Å; F206-L263 WeakPolarHBondContact CD1-O 3.07Å; F206-L263 HydrophobicContact CE1-CD2 4.1Å; A209-L263 HydrophobicContact CB-CD1 4.3Å; I210-L263 HydrophobicContact CD1-CB 4.43Å; I210-L263 HydrophobicContact CG1-CB 3.81Å; T213-L263 HydrophobicContact CG2-CD1 3.91Å; L259-L263 HydrophobicContact CD1-CG 4.46Å; L259-L263 HydrophobicContact CG-CD1 4.27Å; L259-L263 WeakPolarHBondContact O-CG 3.21Å; L259-L263 PolarHBondContact O-N 2.98Å; R260-L263 WeakPolarHBondContact O-CB 3.45Å; R260-L263 PolarHBondContact O-N 3.35Å; N261-L263 PolarHBondContact O-N 2.9Å; L263-L266 PolarHBondContact O-N 2.9Å; L263-A267 WeakPolarHBondContact O-CB 3.3Å; L263-A267 PolarHBondContact O-N 3.48Å
264	E	98.6	Very high	96.9	Very high	62 Å²	62	46.1 Å²	46.1	29%	0.29	24%	0.244	S	C	.	.	H	α-helix	trans	-64.5	-39.9	177.1	-74.5	179.8	167	0	0	111.7	I210 K214 R260 N261 A267 N268	I210-E264 HydrophobicContact CD1-CG 3.86Å; I210-E264 HydrophobicContact CG1-CG 4.28Å; I210-E264 HydrophobicContact CG2-CG 4.16Å; K214-E264 WeakPolarHBondContact CE-OE1 3.47Å; K214-E264 IonicContact NZ-OE1 3.43Å; K214-E264 PolarHBondContact NZ-OE1 3.45Å; R260-E264 PolarHBondContact O-N 3.2Å; N261-E264 PolarHBondContact O-N 3.15Å; E264-A267 PolarHBondContact O-N 3.3Å; E264-N268 PolarHBondContact O-N 3.39Å; E264-N268 PolarHBondContact O-ND2 3.35Å
265	H	98.2	Very high	97	Very high	76 Å²	76	43.5 Å²	43.5	35%	0.352	23%	0.225	S	C	.	.	H	α-helix	trans	-65.1	-44.7	173.1	-76.2	-59.9	0	0	0	112.1	N261 T262 A267 N268 Q269 Y273	N261-H265 PolarHBondContact O-CD2 3.35Å; N261-H265 PolarHBondContact O-N 3.35Å; T262-H265 PolarHBondContact O-N 2.99Å; H265-A267 VanDerWaalsContact C-N 3.33Å; H265-A267 PolarHBondContact O-N 3.09Å; H265-N268 PolarHBondContact O-N 2.75Å; H265-Q269 WeakPolarHBondContact O-CB 3.29Å; H265-Q269 PolarHBondContact O-N 3.02Å; H265-Y273 HydrophobicContact CB-CD1 3.64Å; H265-Y273 HydrophobicContact CB-CD2 3.78Å; H265-Y273 HydrophobicContact CB-CE1 3.5Å; H265-Y273 HydrophobicContact CB-CE2 3.64Å; H265-Y273 HydrophobicContact CB-CG 3.76Å; H265-Y273 VanDerWaalsContact CB-CZ 3.48Å; H265-Y273 AromaticContact CD2-CZ 3.64Å; H265-Y273 PolarHBondContact CD2-OH 2.95Å; H265-Y273 VanDerWaalsContact CD2-OH 3.31Å; H265-Y273 AromaticContact CG-CE2 3.67Å; H265-Y273 AromaticContact CG-CZ 3.62Å
266	L	98.3	Very high	96.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-37.7	176	-73.9	173.3	0	0	0	112.9	L137 V187 W202 F206 T262 L263 N268 R270 Y273 F274	L137-L266 HydrophobicContact CD1-CD1 3.76Å; L137-L266 HydrophobicContact CD2-CD1 4.16Å; V187-L266 HydrophobicContact CG1-CD1 4.44Å; V187-L266 HydrophobicContact CG1-CD2 3.68Å; V187-L266 HydrophobicContact CG2-CD1 4.13Å; W202-L266 PolarHBondContact NE1-O 2.96Å; F206-L266 HydrophobicContact CD1-CB 4.49Å; F206-L266 HydrophobicContact CE1-CB 3.56Å; F206-L266 HydrophobicContact CE1-CD1 4.47Å; F206-L266 HydrophobicContact CZ-CB 3.93Å; T262-L266 HydrophobicContact CG2-CD1 4.1Å; T262-L266 WeakPolarHBondContact O-CB 3.43Å; T262-L266 VanDerWaalsContact O-CG 3.28Å; T262-L266 WeakPolarHBondContact O-CG 3.26Å; T262-L266 PolarHBondContact O-N 3.01Å; L263-L266 PolarHBondContact O-N 2.9Å; L266-N268 VanDerWaalsContact C-N 3.31Å; L266-N268 PolarHBondContact O-N 3.08Å; L266-R270 WeakPolarHBondContact CD2-O 3.48Å; L266-R270 WeakPolarHBondContact O-CA 3.07Å; L266-R270 PolarHBondContact O-N 3.11Å; L266-Y273 HydrophobicContact CD2-CD1 4.15Å; L266-Y273 HydrophobicContact CG-CD1 4.19Å; L266-F274 HydrophobicContact CD2-CB 4.13Å
267	A	98.5	Very high	96.6	Very high	10 Å²	10	44.9 Å²	44.9	8%	0.083	23%	0.233	C	C	.	.	H	α-helix	trans	-62.1	-40.4	175.8	0	0	0	0	0	111.6	F206 I210 L263 E264 H265	F206-A267 HydrophobicContact CB-CB 3.78Å; F206-A267 HydrophobicContact CD1-CB 3.99Å; F206-A267 HydrophobicContact CD2-CB 4.01Å; F206-A267 HydrophobicContact CG-CB 3.64Å; I210-A267 HydrophobicContact CD1-CB 4.31Å; L263-A267 WeakPolarHBondContact O-CB 3.3Å; L263-A267 PolarHBondContact O-N 3.48Å; E264-A267 PolarHBondContact O-N 3.3Å; H265-A267 VanDerWaalsContact C-N 3.33Å; H265-A267 PolarHBondContact O-N 3.09Å
268	N	98.1	Very high	96.3	Very high	126 Å²	126	48.4 Å²	48.4	67%	0.674	25%	0.249	S	C	*	.	H	α-helix	trans	-85.4	-33.1	-175.5	-70	-43.4	0	0	0	113.9	E264 H265 L266	E264-N268 PolarHBondContact O-N 3.39Å; E264-N268 PolarHBondContact O-ND2 3.35Å; H265-N268 PolarHBondContact O-N 2.75Å; L266-N268 VanDerWaalsContact C-N 3.31Å; L266-N268 PolarHBondContact O-N 3.08Å
269	Q	96.9	Very high	95.5	Very high	103 Å²	103	45.5 Å²	45.5	48%	0.481	24%	0.239	S	C	.	.	H	α-helix	trans	-116.5	6	-170.1	-62.4	176.2	-27.8	0	0	113.1	H265 G272	H265-Q269 WeakPolarHBondContact O-CB 3.29Å; H265-Q269 PolarHBondContact O-N 3.02Å; Q269-G272 PolarHBondContact O-N 3.31Å
270	R	96.9	Very high	95.4	Very high	90 Å²	90	46.6 Å²	46.6	34%	0.34	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	56.1	-157	-174.6	-53.8	-172.5	71.3	126.1	-6.1	112	H194 W202 L266 G272 Y273	H194-R270 PolarHBondContact ND1-NH2 2.63Å; W202-R270 HydrophobicContact CG-CG 4.09Å; L266-R270 WeakPolarHBondContact CD2-O 3.48Å; L266-R270 WeakPolarHBondContact O-CA 3.07Å; L266-R270 PolarHBondContact O-N 3.11Å; R270-G272 PolarHBondContact O-N 2.86Å; R270-Y273 PolarHBondContact O-N 3.37Å
271	D	96.4	Very high	95.2	Very high	30 Å²	30	47.1 Å²	47.1	16%	0.16	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-63.4	-20.3	174.1	63.6	-41.7	0	0	0	112.8	V187 R188 A191 Y273 F274 Y275	V187-D271 HydrophobicContact CG1-CB 3.9Å; R188-D271 WeakPolarHBondContact CD-OD2 3.37Å; R188-D271 IonicContact CZ-OD2 3.56Å; R188-D271 IonicContact NE-OD2 2.85Å; R188-D271 IonicContact NH1-OD2 3.78Å; R188-D271 PolarHBondContact NH1-OD2 3.15Å; A191-D271 HydrophobicContact CB-CB 3.71Å; D271-Y273 PolarHBondContact O-N 3.48Å; D271-Y273 VanDerWaalsContact O-N 3.1Å; D271-F274 PolarHBondContact O-N 3.45Å; D271-Y275 HydrophobicContact CB-CD2 4.05Å; D271-Y275 HydrophobicContact CB-CE2 4.19Å; D271-Y275 WeakPolarHBondContact O-CD2 3.45Å; D271-Y275 PolarHBondContact O-N 2.99Å
272	G	95.3	Very high	95.1	Very high	36 Å²	36	44 Å²	44	37%	0.371	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-53.2	-30.5	174.6	0	0	0	0	0	114	Q269 R270 S276	Q269-G272 PolarHBondContact O-N 3.31Å; R270-G272 PolarHBondContact O-N 2.86Å; G272-S276 WeakPolarHBondContact O-CB 3.39Å; G272-S276 PolarHBondContact O-N 2.93Å
273	Y	96.6	Very high	94.9	Very high	19 Å²	19	43.9 Å²	43.9	8%	0.075	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-65.8	-36.9	173.7	178.4	-109.4	0	0	0	113.1	T262 H265 L266 R270 D271 N280 F282 N283	T262-Y273 HydrophobicContact CG2-CE1 4.29Å; H265-Y273 HydrophobicContact CB-CD1 3.64Å; H265-Y273 HydrophobicContact CB-CD2 3.78Å; H265-Y273 HydrophobicContact CB-CE1 3.5Å; H265-Y273 HydrophobicContact CB-CE2 3.64Å; H265-Y273 HydrophobicContact CB-CG 3.76Å; H265-Y273 VanDerWaalsContact CB-CZ 3.48Å; H265-Y273 AromaticContact CD2-CZ 3.64Å; H265-Y273 PolarHBondContact CD2-OH 2.95Å; H265-Y273 VanDerWaalsContact CD2-OH 3.31Å; H265-Y273 AromaticContact CG-CE2 3.67Å; H265-Y273 AromaticContact CG-CZ 3.62Å; L266-Y273 HydrophobicContact CD2-CD1 4.15Å; L266-Y273 HydrophobicContact CG-CD1 4.19Å; R270-Y273 PolarHBondContact O-N 3.37Å; D271-Y273 PolarHBondContact O-N 3.48Å; D271-Y273 VanDerWaalsContact O-N 3.1Å; Y273-N280 WeakPolarHBondContact CD2-ND2 3.4Å; Y273-N280 PolarHBondContact O-ND2 3.1Å; Y273-F282 HydrophobicContact CD1-CB 4.44Å; Y273-F282 HydrophobicContact CD1-CG 4.48Å; Y273-F282 HydrophobicContact CE1-CB 3.66Å; Y273-F282 HydrophobicContact CE1-CD2 4.16Å; Y273-F282 AromaticContact CE1-CG 3.89Å; Y273-F282 HydrophobicContact CE1-CG 3.89Å; Y273-F282 HydrophobicContact CE2-CB 4.04Å; Y273-F282 VanDerWaalsContact CZ-CB 3.44Å; Y273-F282 WeakPolarHBondContact OH-CB 3.49Å; Y273-N283 PolarHBondContact O-OD1 3.36Å; Y273-N283 VanDerWaalsContact O-OD1 3.11Å
274	F	96.3	Very high	94.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-31.2	-177.7	-156.3	-74.3	0	0	0	112	L137 P184 V187 L266 D271 F282 N283	L137-F274 HydrophobicContact CB-CE2 4.29Å; P184-F274 HydrophobicContact CB-CE1 3.73Å; P184-F274 HydrophobicContact CB-CZ 3.72Å; P184-F274 HydrophobicContact CG-CE1 4.28Å; P184-F274 HydrophobicContact CG-CZ 4.28Å; V187-F274 HydrophobicContact CB-CD2 4.44Å; V187-F274 HydrophobicContact CG1-CB 4.31Å; V187-F274 HydrophobicContact CG2-CD2 3.93Å; V187-F274 HydrophobicContact CG2-CE2 4.24Å; L266-F274 HydrophobicContact CD2-CB 4.13Å; D271-F274 PolarHBondContact O-N 3.45Å; F274-F282 HydrophobicContact CB-CE1 4.39Å; F274-F282 AromaticContact CD1-CE1 3.91Å; F274-F282 HydrophobicContact CD1-CE1 3.91Å; F274-F282 HydrophobicContact CD1-CZ 4.3Å; F274-F282 AromaticContact CD2-CE1 3.74Å; F274-F282 HydrophobicContact CD2-CE1 3.74Å; F274-F282 HydrophobicContact CD2-CE2 4.44Å; F274-F282 AromaticContact CD2-CZ 3.59Å; F274-F282 HydrophobicContact CD2-CZ 3.59Å; F274-F282 HydrophobicContact CE1-CE1 4.04Å; F274-F282 HydrophobicContact CE1-CZ 4.07Å; F274-F282 AromaticContact CE2-CE1 3.92Å; F274-F282 HydrophobicContact CE2-CE1 3.92Å; F274-F282 HydrophobicContact CE2-CE2 4.22Å; F274-F282 AromaticContact CE2-CZ 3.36Å; F274-F282 HydrophobicContact CE2-CZ 3.36Å; F274-F282 AromaticContact CG-CE1 3.75Å; F274-F282 HydrophobicContact CG-CE1 3.75Å; F274-F282 HydrophobicContact CG-CZ 4.07Å; F274-F282 HydrophobicContact CZ-CE1 4.06Å; F274-F282 AromaticContact CZ-CZ 3.61Å; F274-F282 HydrophobicContact CZ-CZ 3.61Å; F274-N283 PolarHBondContact O-ND2 2.9Å
275	Y	95.9	Very high	94.6	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.008	26%	0.261	C	S	.	.	S	Bend	trans	-119.1	28	-168.6	-55.2	-78.8	0	0	0	113.9	P184 S185 V187 R188 D271 L302 N303	P184-Y275 WeakPolarHBondContact O-CE1 3.48Å; P184-Y275 PolarHBondContact O-OH 3.33Å; S185-Y275 WeakPolarHBondContact CA-OH 3.32Å; V187-Y275 HydrophobicContact CB-CE2 4.13Å; V187-Y275 HydrophobicContact CG1-CE2 4.28Å; R188-Y275 HydrophobicContact CB-CD2 4.4Å; R188-Y275 HydrophobicContact CB-CE2 3.59Å; R188-Y275 VanDerWaalsContact CZ-CD2 3.44Å; R188-Y275 VanDerWaalsContact CZ-CG 3.45Å; R188-Y275 PolarHBondContact N-OH 2.93Å; R188-Y275 VanDerWaalsContact NH2-CG 3.35Å; D271-Y275 HydrophobicContact CB-CD2 4.05Å; D271-Y275 HydrophobicContact CB-CE2 4.19Å; D271-Y275 WeakPolarHBondContact O-CD2 3.45Å; D271-Y275 PolarHBondContact O-N 2.99Å; Y275-L302 HydrophobicContact CD1-CB 4.18Å; Y275-L302 WeakPolarHBondContact CD1-O 3.34Å; Y275-N303 PolarHBondContact O-ND2 3.44Å
276	S	91.8	Very high	94.5	Very high	25 Å²	25	46 Å²	46	18%	0.175	24%	0.244	C	C	.	.			trans	-77.4	137.7	-177.6	-173.2	0	0	0	0	112.9	G272 N278 N283	G272-S276 WeakPolarHBondContact O-CB 3.39Å; G272-S276 PolarHBondContact O-N 2.93Å; S276-N278 PolarHBondContact OG-N 3.22Å; S276-N278 VanDerWaalsContact OG-N 3.15Å; S276-N283 WeakPolarHBondContact CB-OD1 3.29Å; S276-N283 PolarHBondContact N-OD1 3.49Å
277	T	88.3	Confident	94.4	Very high	62 Å²	62	46.3 Å²	46.3	38%	0.38	25%	0.246	S	C	.	.	S	Bend	trans	-83.8	-16.5	167.9	50.4	0	0	0	0	113.1	A279 N303	T277-A279 PolarHBondContact O-N 2.93Å; T277-N303 HydrophobicContact CG2-CB 3.55Å; T277-N303 VanDerWaalsContact CG2-CG 3.44Å
278	N	88.1	Confident	94.3	Very high	144 Å²	144	50.3 Å²	50.3	77%	0.77	27%	0.266	S	S	*	.	S	Bend	trans	-75.9	12.5	179.2	-66.9	-26.6	0	0	0	113.2	S276 N280	S276-N278 PolarHBondContact OG-N 3.22Å; S276-N278 VanDerWaalsContact OG-N 3.15Å; N278-N280 PolarHBondContact O-N 2.87Å
279	A	81.3	Confident	94.2	Very high	22 Å²	22	45 Å²	45	18%	0.182	24%	0.236	C	C	.	.			trans	48.9	62.8	177	0	0	0	0	0	112.3	T277 R284 L299	T277-A279 PolarHBondContact O-N 2.93Å; A279-R284 HydrophobicContact CB-CG 3.94Å; A279-R284 PolarHBondContact O-NH1 2.72Å; A279-R284 PolarHBondContact O-NH2 3.37Å; A279-L299 HydrophobicContact CB-CD1 3.68Å
280	N	93.7	Very high	94.1	Very high	34 Å²	34	40.1 Å²	40.1	18%	0.182	21%	0.214	C	C	.	.			trans	-64.4	174.6	168.7	69.4	35.1	0	0	0	110.3	Y273 N278 F282 N283 R284	Y273-N280 WeakPolarHBondContact CD2-ND2 3.4Å; Y273-N280 PolarHBondContact O-ND2 3.1Å; N278-N280 PolarHBondContact O-N 2.87Å; N280-F282 VanDerWaalsContact C-N 3.29Å; N280-F282 PolarHBondContact O-N 3.29Å; N280-F282 WeakPolarHBondContact OD1-CB 3.42Å; N280-F282 PolarHBondContact OD1-N 2.96Å; N280-N283 PolarHBondContact ND2-OD1 3.37Å; N280-N283 VanDerWaalsContact ND2-OD1 3.07Å; N280-N283 PolarHBondContact O-N 3.31Å; N280-N283 PolarHBondContact OD1-N 2.82Å; N280-N283 PolarHBondContact OD1-OD1 3.19Å; N280-R284 PolarHBondContact O-N 3.47Å; N280-R284 VanDerWaalsContact O-N 3.1Å
281	T	94.4	Very high	94	Very high	81 Å²	81	40.2 Å²	40.2	50%	0.497	22%	0.217	S	C	.	.	H	α-helix	trans	-55.6	-42.9	-178	-56.4	0	0	0	0	112.7	R284 Q285	T281-R284 PolarHBondContact O-N 3.19Å; T281-Q285 HydrophobicContact CG2-CG 4.49Å; T281-Q285 WeakPolarHBondContact O-CB 3.26Å; T281-Q285 VanDerWaalsContact O-CG 3.29Å; T281-Q285 WeakPolarHBondContact O-CG 3.24Å; T281-Q285 PolarHBondContact O-N 3.11Å; T281-Q285 PolarHBondContact O-OE1 3.43Å
282	F	96.4	Very high	94	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-50.9	178.4	171.4	-91.1	0	0	0	112.1	T262 Y273 F274 N280 R284 Q285 F286 T475 V477	T262-F282 HydrophobicContact CG2-CD2 4.47Å; T262-F282 HydrophobicContact CG2-CE2 4.37Å; Y273-F282 HydrophobicContact CD1-CB 4.44Å; Y273-F282 HydrophobicContact CD1-CG 4.48Å; Y273-F282 HydrophobicContact CE1-CB 3.66Å; Y273-F282 HydrophobicContact CE1-CD2 4.16Å; Y273-F282 AromaticContact CE1-CG 3.89Å; Y273-F282 HydrophobicContact CE1-CG 3.89Å; Y273-F282 HydrophobicContact CE2-CB 4.04Å; Y273-F282 VanDerWaalsContact CZ-CB 3.44Å; Y273-F282 WeakPolarHBondContact OH-CB 3.49Å; F274-F282 HydrophobicContact CB-CE1 4.39Å; F274-F282 AromaticContact CD1-CE1 3.91Å; F274-F282 HydrophobicContact CD1-CE1 3.91Å; F274-F282 HydrophobicContact CD1-CZ 4.3Å; F274-F282 AromaticContact CD2-CE1 3.74Å; F274-F282 HydrophobicContact CD2-CE1 3.74Å; F274-F282 HydrophobicContact CD2-CE2 4.44Å; F274-F282 AromaticContact CD2-CZ 3.59Å; F274-F282 HydrophobicContact CD2-CZ 3.59Å; F274-F282 HydrophobicContact CE1-CE1 4.04Å; F274-F282 HydrophobicContact CE1-CZ 4.07Å; F274-F282 AromaticContact CE2-CE1 3.92Å; F274-F282 HydrophobicContact CE2-CE1 3.92Å; F274-F282 HydrophobicContact CE2-CE2 4.22Å; F274-F282 AromaticContact CE2-CZ 3.36Å; F274-F282 HydrophobicContact CE2-CZ 3.36Å; F274-F282 AromaticContact CG-CE1 3.75Å; F274-F282 HydrophobicContact CG-CE1 3.75Å; F274-F282 HydrophobicContact CG-CZ 4.07Å; F274-F282 HydrophobicContact CZ-CE1 4.06Å; F274-F282 AromaticContact CZ-CZ 3.61Å; F274-F282 HydrophobicContact CZ-CZ 3.61Å; N280-F282 VanDerWaalsContact C-N 3.29Å; N280-F282 PolarHBondContact O-N 3.29Å; N280-F282 WeakPolarHBondContact OD1-CB 3.42Å; N280-F282 PolarHBondContact OD1-N 2.96Å; F282-R284 VanDerWaalsContact C-N 3.3Å; F282-R284 PolarHBondContact O-N 3.49Å; F282-Q285 PolarHBondContact O-N 3.36Å; F282-F286 HydrophobicContact CZ-CD2 4.12Å; F282-F286 WeakPolarHBondContact O-CB 3.35Å; F282-F286 PolarHBondContact O-N 2.93Å; F282-T475 HydrophobicContact CD2-CG2 3.54Å; F282-T475 HydrophobicContact CE2-CG2 3.77Å; F282-V477 HydrophobicContact CE2-CG2 3.82Å; F282-V477 HydrophobicContact CZ-CG2 4.39Å
283	N	94.7	Very high	93.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-37.4	-177.7	-71.2	109.3	0	0	0	112.4	Y273 F274 S276 N280 V287 L299	Y273-N283 PolarHBondContact O-OD1 3.36Å; Y273-N283 VanDerWaalsContact O-OD1 3.11Å; F274-N283 PolarHBondContact O-ND2 2.9Å; S276-N283 WeakPolarHBondContact CB-OD1 3.29Å; S276-N283 PolarHBondContact N-OD1 3.49Å; N280-N283 PolarHBondContact ND2-OD1 3.37Å; N280-N283 VanDerWaalsContact ND2-OD1 3.07Å; N280-N283 PolarHBondContact O-N 3.31Å; N280-N283 PolarHBondContact OD1-N 2.82Å; N280-N283 PolarHBondContact OD1-OD1 3.19Å; N283-V287 WeakPolarHBondContact O-CB 3.19Å; N283-V287 WeakPolarHBondContact O-CG2 3.5Å; N283-V287 PolarHBondContact O-N 3.32Å; N283-L299 HydrophobicContact CB-CD2 3.6Å
284	R	94.1	Very high	93.6	Very high	118 Å²	118	49.3 Å²	49.3	45%	0.445	27%	0.265	S	S	.	.	H	α-helix	trans	-63.2	-52	172.7	-73.9	-172	-71.6	-105.7	-9.4	111.4	A279 N280 T281 F282 F286 V287 D288	A279-R284 HydrophobicContact CB-CG 3.94Å; A279-R284 PolarHBondContact O-NH1 2.72Å; A279-R284 PolarHBondContact O-NH2 3.37Å; N280-R284 PolarHBondContact O-N 3.47Å; N280-R284 VanDerWaalsContact O-N 3.1Å; T281-R284 PolarHBondContact O-N 3.19Å; F282-R284 VanDerWaalsContact C-N 3.3Å; F282-R284 PolarHBondContact O-N 3.49Å; R284-F286 VanDerWaalsContact C-N 3.26Å; R284-F286 PolarHBondContact O-N 3.5Å; R284-V287 PolarHBondContact O-N 2.84Å; R284-D288 WeakPolarHBondContact O-CB 3.27Å; R284-D288 PolarHBondContact O-N 3.37Å
285	Q	95.9	Very high	93.3	Very high	64 Å²	64	49.6 Å²	49.6	30%	0.299	27%	0.267	S	S	.	.	H	α-helix	trans	-55.3	-43.4	178.1	-74.8	170.4	-37.2	0	0	112	T281 F282 Y289 T475	T281-Q285 HydrophobicContact CG2-CG 4.49Å; T281-Q285 WeakPolarHBondContact O-CB 3.26Å; T281-Q285 VanDerWaalsContact O-CG 3.29Å; T281-Q285 WeakPolarHBondContact O-CG 3.24Å; T281-Q285 PolarHBondContact O-N 3.11Å; T281-Q285 PolarHBondContact O-OE1 3.43Å; F282-Q285 PolarHBondContact O-N 3.36Å; Q285-Y289 WeakPolarHBondContact O-CB 3.4Å; Q285-Y289 PolarHBondContact O-N 3.31Å; Q285-T475 HydrophobicContact CB-CG2 4.11Å
286	F	96.4	Very high	93.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.5	-55.9	178.1	-167.1	-76.3	0	0	0	112	P184 F282 R284 Y289 M290 W297 L302 V472 L479	P184-F286 HydrophobicContact CG-CE2 4.11Å; P184-F286 HydrophobicContact CG-CZ 3.83Å; F282-F286 HydrophobicContact CZ-CD2 4.12Å; F282-F286 WeakPolarHBondContact O-CB 3.35Å; F282-F286 PolarHBondContact O-N 2.93Å; R284-F286 VanDerWaalsContact C-N 3.26Å; R284-F286 PolarHBondContact O-N 3.5Å; F286-Y289 PolarHBondContact O-N 2.89Å; F286-M290 HydrophobicContact CD1-CG 4.03Å; F286-M290 HydrophobicContact CE1-CG 3.72Å; F286-M290 HydrophobicContact CZ-CG 4.41Å; F286-M290 WeakPolarHBondContact O-CG 3.18Å; F286-M290 PolarHBondContact O-N 3.16Å; F286-W297 HydrophobicContact CD1-CE3 4.33Å; F286-W297 HydrophobicContact CE1-CD2 4.21Å; F286-W297 AromaticContact CE1-CE3 3.58Å; F286-W297 HydrophobicContact CE1-CE3 3.58Å; F286-W297 HydrophobicContact CE1-CH2 4.21Å; F286-W297 AromaticContact CE1-CZ3 3.58Å; F286-W297 HydrophobicContact CE1-CZ3 3.58Å; F286-W297 HydrophobicContact CZ-CH2 4.43Å; F286-W297 HydrophobicContact CZ-CZ3 4.13Å; F286-L302 HydrophobicContact CD1-CD1 4.1Å; F286-L302 HydrophobicContact CE1-CD2 4.31Å; F286-V472 HydrophobicContact CB-CG1 4.32Å; F286-V472 HydrophobicContact CD2-CB 4.49Å; F286-V472 HydrophobicContact CD2-CG1 4.36Å; F286-V472 HydrophobicContact CD2-CG2 3.75Å; F286-V472 HydrophobicContact CE2-CG2 3.9Å; F286-L479 HydrophobicContact CE2-CD2 3.57Å; F286-L479 HydrophobicContact CZ-CD2 3.67Å
287	V	95.7	Very high	93.2	Very high	7 Å²	7	54.4 Å²	54.4	4%	0.042	29%	0.287	C	S	.	.	H	α-helix	trans	-65.8	-42.8	-176.2	169	0	0	0	0	111.7	N283 R284 Y289 M290 K291 W297 L299	N283-V287 WeakPolarHBondContact O-CB 3.19Å; N283-V287 WeakPolarHBondContact O-CG2 3.5Å; N283-V287 PolarHBondContact O-N 3.32Å; R284-V287 PolarHBondContact O-N 2.84Å; V287-Y289 VanDerWaalsContact C-N 3.33Å; V287-Y289 PolarHBondContact O-N 3.32Å; V287-M290 PolarHBondContact O-N 2.98Å; V287-K291 HydrophobicContact CG1-CD 4.09Å; V287-K291 HydrophobicContact CG1-CG 4.5Å; V287-K291 WeakPolarHBondContact O-CG 3.32Å; V287-K291 PolarHBondContact O-N 3.37Å; V287-W297 WeakPolarHBondContact CG1-O 3.39Å; V287-L299 HydrophobicContact CG2-CD2 3.89Å
288	D	96	Very high	93.4	Very high	94 Å²	94	53 Å²	53	50%	0.503	28%	0.279	S	S	.	.	H	α-helix	trans	-64.4	-40.8	179.4	-67.1	-20.8	0	0	0	111	R284 K291 Q292	R284-D288 WeakPolarHBondContact O-CB 3.27Å; R284-D288 PolarHBondContact O-N 3.37Å; D288-K291 PolarHBondContact O-N 2.82Å; D288-Q292 WeakPolarHBondContact O-CB 3.36Å; D288-Q292 PolarHBondContact O-N 2.87Å
289	Y	96.1	Very high	93.7	Very high	14 Å²	14	47.6 Å²	47.6	6%	0.055	25%	0.25	C	S	.	.	H	α-helix	trans	-63.2	-46.8	174.8	-176.5	-110.1	0	0	0	111.7	Q285 F286 V287 K291 Q292 Q293 Q470 V472 P473 L479	Q285-Y289 WeakPolarHBondContact O-CB 3.4Å; Q285-Y289 PolarHBondContact O-N 3.31Å; F286-Y289 PolarHBondContact O-N 2.89Å; V287-Y289 VanDerWaalsContact C-N 3.33Å; V287-Y289 PolarHBondContact O-N 3.32Å; Y289-K291 VanDerWaalsContact C-N 3.31Å; Y289-K291 PolarHBondContact O-N 2.9Å; Y289-Q292 WeakPolarHBondContact O-CB 3.37Å; Y289-Q292 PolarHBondContact O-N 3.13Å; Y289-Q292 VanDerWaalsContact O-N 3.14Å; Y289-Q293 HydrophobicContact CD1-CG 4.31Å; Y289-Q293 HydrophobicContact CE1-CG 3.96Å; Y289-Q293 HydrophobicContact CE2-CG 4.18Å; Y289-Q293 WeakPolarHBondContact O-CG 3.48Å; Y289-Q293 PolarHBondContact O-N 3.01Å; Y289-Q470 HydrophobicContact CE1-CB 4.42Å; Y289-Q470 PolarHBondContact OH-NE2 3.47Å; Y289-V472 HydrophobicContact CD1-CB 4.44Å; Y289-V472 HydrophobicContact CD1-CG1 4.48Å; Y289-V472 HydrophobicContact CD1-CG2 4.05Å; Y289-P473 HydrophobicContact CD2-CG 3.68Å; Y289-P473 HydrophobicContact CE2-CG 3.73Å; Y289-P473 HydrophobicContact CG-CG 4.39Å; Y289-L479 HydrophobicContact CD1-CD1 4.27Å; Y289-L479 HydrophobicContact CE1-CD1 3.93Å
290	M	95.6	Very high	94.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.2	-39.8	178.3	-68.1	-51.6	-68.8	0	0	112.2	A178 V181 F286 V287 Q293 G294 S295 W297 L479	A178-M290 HydrophobicContact CB-CE 3.91Å; V181-M290 HydrophobicContact CB-CE 3.96Å; V181-M290 HydrophobicContact CG1-CE 4.23Å; V181-M290 HydrophobicContact CG2-CE 3.92Å; F286-M290 HydrophobicContact CD1-CG 4.03Å; F286-M290 HydrophobicContact CE1-CG 3.72Å; F286-M290 HydrophobicContact CZ-CG 4.41Å; F286-M290 WeakPolarHBondContact O-CG 3.18Å; F286-M290 PolarHBondContact O-N 3.16Å; V287-M290 PolarHBondContact O-N 2.98Å; M290-Q293 CarbonylContact O-C 3.53Å; M290-Q293 PolarHBondContact O-N 3.16Å; M290-G294 PolarHBondContact O-N 3.33Å; M290-S295 CarbonylContact C-O 3.59Å; M290-S295 PolarHBondContact O-N 3.43Å; M290-W297 HydrophobicContact CB-CB 3.98Å; M290-W297 HydrophobicContact CB-CD2 4.18Å; M290-W297 HydrophobicContact CB-CG 3.61Å; M290-W297 HydrophobicContact CE-CD2 4.46Å; M290-W297 HydrophobicContact CE-CZ2 3.93Å; M290-W297 VanDerWaalsContact CE-NE1 3.3Å; M290-W297 HydrophobicContact CG-CD2 3.96Å; M290-W297 HydrophobicContact CG-CG 3.95Å; M290-L479 HydrophobicContact SD-CD1 3.59Å; M290-L479 VanDerWaalsContact SD-CD1 3.59Å; M290-L479 HydrophobicContact SD-CD2 4.32Å
291	K	95.2	Very high	94.4	Very high	93 Å²	93	50 Å²	50	40%	0.404	26%	0.257	S	S	.	.	H	α-helix	trans	-62.8	-43	173.4	-74.3	175.9	-178.9	174.9	0	112.2	V287 D288 Y289 Q293 G294 S295 W297	V287-K291 HydrophobicContact CG1-CD 4.09Å; V287-K291 HydrophobicContact CG1-CG 4.5Å; V287-K291 WeakPolarHBondContact O-CG 3.32Å; V287-K291 PolarHBondContact O-N 3.37Å; D288-K291 PolarHBondContact O-N 2.82Å; Y289-K291 VanDerWaalsContact C-N 3.31Å; Y289-K291 PolarHBondContact O-N 2.9Å; K291-Q293 PolarHBondContact O-N 3.33Å; K291-G294 PolarHBondContact O-N 3.36Å; K291-S295 VanDerWaalsContact CA-O 3.28Å; K291-S295 WeakPolarHBondContact CA-O 3.46Å; K291-S295 PolarHBondContact N-O 3.22Å; K291-W297 WeakPolarHBondContact CE-O 3.46Å
292	Q	95.3	Very high	94.4	Very high	150 Å²	150	46.1 Å²	46.1	70%	0.701	23%	0.233	S	C	*	.	H	α-helix	trans	-60.7	-35.2	175.2	-174.1	-174	9.2	0	0	111.8	D288 Y289 G294	D288-Q292 WeakPolarHBondContact O-CB 3.36Å; D288-Q292 PolarHBondContact O-N 2.87Å; Y289-Q292 WeakPolarHBondContact O-CB 3.37Å; Y289-Q292 PolarHBondContact O-N 3.13Å; Y289-Q292 VanDerWaalsContact O-N 3.14Å; Q292-G294 PolarHBondContact O-N 3.03Å
293	Q	93.1	Very high	94.3	Very high	66 Å²	66	49 Å²	49	31%	0.308	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	10.1	174.6	-58.7	-56	-59.9	0	0	113.6	A178 Y289 M290 K291	A178-Q293 HydrophobicContact CB-CB 3.47Å; A178-Q293 VanDerWaalsContact CB-CB 3.47Å; A178-Q293 HydrophobicContact CB-CG 4.38Å; Y289-Q293 HydrophobicContact CD1-CG 4.31Å; Y289-Q293 HydrophobicContact CE1-CG 3.96Å; Y289-Q293 HydrophobicContact CE2-CG 4.18Å; Y289-Q293 WeakPolarHBondContact O-CG 3.48Å; Y289-Q293 PolarHBondContact O-N 3.01Å; M290-Q293 CarbonylContact O-C 3.53Å; M290-Q293 PolarHBondContact O-N 3.16Å; K291-Q293 PolarHBondContact O-N 3.33Å
294	G	91.1	Very high	94.3	Very high	60 Å²	60	53.5 Å²	53.5	62%	0.619	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	10.3	174.9	0	0	0	0	0	115.1	M290 K291 Q292	M290-G294 PolarHBondContact O-N 3.33Å; K291-G294 PolarHBondContact O-N 3.36Å; Q292-G294 PolarHBondContact O-N 3.03Å
295	S	91.2	Very high	94.4	Very high	5 Å²	5	48.7 Å²	48.7	4%	0.035	26%	0.255	C	S	.	.			trans	-107.7	121.9	177.6	-164.6	0	0	0	0	110.9	R163 D170 M290 K291 W297	R163-S295 PolarHBondContact NH2-OG 2.92Å; D170-S295 PolarHBondContact OD1-OG 2.8Å; M290-S295 CarbonylContact C-O 3.59Å; M290-S295 PolarHBondContact O-N 3.43Å; K291-S295 VanDerWaalsContact CA-O 3.28Å; K291-S295 WeakPolarHBondContact CA-O 3.46Å; K291-S295 PolarHBondContact N-O 3.22Å; S295-W297 VanDerWaalsContact C-N 3.34Å; S295-W297 PolarHBondContact O-N 3.28Å; S295-W297 PolarHBondContact OG-NE1 2.96Å
296	Q	90.3	Very high	94.5	Very high	125 Å²	125	50.9 Å²	50.9	58%	0.584	27%	0.272	S	S	*	.			trans	-81.2	74.4	-173.1	-63.1	-58.2	-34.1	0	0	112.3	R163	R163-Q296 PolarHBondContact NH1-O 3.04Å
297	W	93.4	Very high	94.5	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.015	28%	0.277	C	S	.	.			trans	-81.5	150.2	176.9	-73.7	55.6	0	0	0	112.2	R163 V181 I183 F286 V287 M290 K291 S295 L302	R163-W297 VanDerWaalsContact CD-CE2 3.4Å; R163-W297 HydrophobicContact CG-CD2 4.46Å; R163-W297 HydrophobicContact CG-CE3 4.45Å; R163-W297 HydrophobicContact CG-CH2 4.28Å; R163-W297 HydrophobicContact CG-CZ2 4.27Å; R163-W297 HydrophobicContact CG-CZ3 4.36Å; R163-W297 VanDerWaalsContact NE-CD1 3.34Å; V181-W297 HydrophobicContact CB-CZ2 4.14Å; V181-W297 HydrophobicContact CG1-CH2 4Å; V181-W297 HydrophobicContact CG1-CZ2 3.81Å; I183-W297 HydrophobicContact CG1-CH2 4.42Å; I183-W297 HydrophobicContact CG1-CZ3 4.41Å; F286-W297 HydrophobicContact CD1-CE3 4.33Å; F286-W297 HydrophobicContact CE1-CD2 4.21Å; F286-W297 AromaticContact CE1-CE3 3.58Å; F286-W297 HydrophobicContact CE1-CE3 3.58Å; F286-W297 HydrophobicContact CE1-CH2 4.21Å; F286-W297 AromaticContact CE1-CZ3 3.58Å; F286-W297 HydrophobicContact CE1-CZ3 3.58Å; F286-W297 HydrophobicContact CZ-CH2 4.43Å; F286-W297 HydrophobicContact CZ-CZ3 4.13Å; V287-W297 WeakPolarHBondContact CG1-O 3.39Å; M290-W297 HydrophobicContact CB-CB 3.98Å; M290-W297 HydrophobicContact CB-CD2 4.18Å; M290-W297 HydrophobicContact CB-CG 3.61Å; M290-W297 HydrophobicContact CE-CD2 4.46Å; M290-W297 HydrophobicContact CE-CZ2 3.93Å; M290-W297 VanDerWaalsContact CE-NE1 3.3Å; M290-W297 HydrophobicContact CG-CD2 3.96Å; M290-W297 HydrophobicContact CG-CG 3.95Å; K291-W297 WeakPolarHBondContact CE-O 3.46Å; S295-W297 VanDerWaalsContact C-N 3.34Å; S295-W297 PolarHBondContact O-N 3.28Å; S295-W297 PolarHBondContact OG-NE1 2.96Å; W297-L302 HydrophobicContact CE3-CD2 4.34Å; W297-L302 HydrophobicContact CZ3-CD2 3.88Å
298	S	93.5	Very high	94.6	Very high	31 Å²	31	53.5 Å²	53.5	22%	0.217	29%	0.286	C	S	.	.			trans	-121.2	167.3	172	66.5	0	0	0	0	111.3	E300 D301	S298-E300 VanDerWaalsContact C-N 3.27Å; S298-E300 WeakPolarHBondContact CB-OE2 3.4Å; S298-D301 PolarHBondContact N-OD2 3.44Å; S298-D301 PolarHBondContact OG-N 2.84Å; S298-D301 VanDerWaalsContact OG-N 3.16Å; S298-D301 PolarHBondContact OG-OD2 3.18Å
299	L	94.3	Very high	94.7	Very high	32 Å²	32	56.1 Å²	56.1	17%	0.168	29%	0.289	C	S	.	.	H	α-helix	trans	-70.5	-32.4	174.1	-65.1	173.6	0	0	0	110.8	A279 N283 V287 D301 L302 N303	A279-L299 HydrophobicContact CB-CD1 3.68Å; N283-L299 HydrophobicContact CB-CD2 3.6Å; V287-L299 HydrophobicContact CG2-CD2 3.89Å; L299-D301 VanDerWaalsContact C-N 3.3Å; L299-D301 PolarHBondContact O-N 3.03Å; L299-L302 PolarHBondContact O-N 3.35Å; L299-N303 PolarHBondContact O-N 3.27Å
300	E	94.9	Very high	94.8	Very high	98 Å²	98	56.8 Å²	56.8	46%	0.458	30%	0.296	S	S	.	.	H	α-helix	trans	-62.9	-35.6	177.3	-66.2	70.8	-158.1	0	0	111.5	S298 L302 N303 N304	S298-E300 VanDerWaalsContact C-N 3.27Å; S298-E300 WeakPolarHBondContact CB-OE2 3.4Å; E300-L302 VanDerWaalsContact C-N 3.27Å; E300-L302 PolarHBondContact O-N 3.28Å; E300-N303 PolarHBondContact O-N 3.14Å; E300-N304 WeakPolarHBondContact O-CB 3.3Å; E300-N304 PolarHBondContact O-N 2.91Å; E300-N304 PolarHBondContact O-ND2 3.01Å; E300-N304 VanDerWaalsContact O-ND2 3.15Å
301	D	94.6	Very high	94.8	Very high	8 Å²	8	63.9 Å²	63.9	4%	0.043	33%	0.333	C	S	.	.	H	α-helix	trans	-59.4	-38.7	175.6	-68.6	-48.8	0	0	0	112.3	R163 S165 I183 S298 L299	R163-D301 HydrophobicContact CB-CB 4.36Å; R163-D301 HydrophobicContact CG-CB 3.96Å; R163-D301 IonicContact NH1-OD2 3.95Å; S165-D301 WeakPolarHBondContact CB-OD1 3.26Å; S165-D301 PolarHBondContact OG-OD1 3.03Å; S165-D301 PolarHBondContact OG-OD2 3.37Å; I183-D301 VanDerWaalsContact CD1-O 3.32Å; I183-D301 WeakPolarHBondContact CD1-O 3.38Å; S298-D301 PolarHBondContact N-OD2 3.44Å; S298-D301 PolarHBondContact OG-N 2.84Å; S298-D301 VanDerWaalsContact OG-N 3.16Å; S298-D301 PolarHBondContact OG-OD2 3.18Å; L299-D301 VanDerWaalsContact C-N 3.3Å; L299-D301 PolarHBondContact O-N 3.03Å
302	L	94.8	Very high	94.9	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-75.1	-49.6	174.6	-66.4	174.8	0	0	0	110.5	I183 Y275 F286 W297 L299 E300 N304 Y305	I183-L302 HydrophobicContact CG2-CD2 4.36Å; Y275-L302 HydrophobicContact CD1-CB 4.18Å; Y275-L302 WeakPolarHBondContact CD1-O 3.34Å; F286-L302 HydrophobicContact CD1-CD1 4.1Å; F286-L302 HydrophobicContact CE1-CD2 4.31Å; W297-L302 HydrophobicContact CE3-CD2 4.34Å; W297-L302 HydrophobicContact CZ3-CD2 3.88Å; L299-L302 PolarHBondContact O-N 3.35Å; E300-L302 VanDerWaalsContact C-N 3.27Å; E300-L302 PolarHBondContact O-N 3.28Å; L302-N304 VanDerWaalsContact C-N 3.34Å; L302-N304 PolarHBondContact O-N 2.9Å; L302-Y305 WeakPolarHBondContact O-CB 3.22Å; L302-Y305 PolarHBondContact O-N 2.82Å
303	N	95.2	Very high	95	Very high	61 Å²	61	54.6 Å²	54.6	33%	0.326	30%	0.296	S	S	.	.	H	α-helix	trans	-61.9	-40.8	-172.4	-176.8	-106.8	0	0	0	113.2	R188 Y275 T277 L299 E300 Y305	R188-N303 PolarHBondContact NH2-O 3.12Å; R188-N303 VanDerWaalsContact NH2-O 3.13Å; Y275-N303 PolarHBondContact O-ND2 3.44Å; T277-N303 HydrophobicContact CG2-CB 3.55Å; T277-N303 VanDerWaalsContact CG2-CG 3.44Å; L299-N303 PolarHBondContact O-N 3.27Å; E300-N303 PolarHBondContact O-N 3.14Å; N303-Y305 PolarHBondContact O-N 2.87Å
304	N	94.7	Very high	95.2	Very high	93 Å²	93	56.9 Å²	56.9	50%	0.497	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-6.9	-175.2	-69	-24.7	0	0	0	113.9	E300 L302 T306	E300-N304 WeakPolarHBondContact O-CB 3.3Å; E300-N304 PolarHBondContact O-N 2.91Å; E300-N304 PolarHBondContact O-ND2 3.01Å; E300-N304 VanDerWaalsContact O-ND2 3.15Å; L302-N304 VanDerWaalsContact C-N 3.34Å; L302-N304 PolarHBondContact O-N 2.9Å; N304-T306 PolarHBondContact O-N 3.39Å
305	Y	95.9	Very high	95.4	Very high	18 Å²	18	54.8 Å²	54.8	7%	0.071	28%	0.279	C	S	.	.			trans	-67.1	129.7	179.4	178.4	-100.8	0	0	0	112.6	F158 T159 P161 I183 S185 R188 L302 N303 V307	F158-Y305 WeakPolarHBondContact CA-OH 3.31Å; T159-Y305 PolarHBondContact O-OH 3.41Å; P161-Y305 HydrophobicContact CG-CD2 3.8Å; P161-Y305 HydrophobicContact CG-CE2 3.77Å; I183-Y305 HydrophobicContact CG2-CD2 4.13Å; I183-Y305 HydrophobicContact CG2-CG 4.03Å; S185-Y305 WeakPolarHBondContact CB-OH 3.35Å; R188-Y305 HydrophobicContact CB-CD1 3.96Å; R188-Y305 HydrophobicContact CB-CE1 3.97Å; R188-Y305 HydrophobicContact CG-CD1 3.99Å; R188-Y305 HydrophobicContact CG-CE1 4.13Å; R188-Y305 PolarHBondContact NE-O 3.1Å; L302-Y305 WeakPolarHBondContact O-CB 3.22Å; L302-Y305 PolarHBondContact O-N 2.82Å; N303-Y305 PolarHBondContact O-N 2.87Å; Y305-V307 HydrophobicContact CE1-CG2 4.32Å
306	T	96.5	Very high	95.4	Very high	110 Å²	110	56.5 Å²	56.5	68%	0.675	30%	0.298	S	S	*	.			trans	-125.4	144.4	176	59.5	0	0	0	0	111.5	N304	N304-T306 PolarHBondContact O-N 3.39Å
307	V	98.2	Very high	95.4	Very high	16 Å²	16	50.6 Å²	50.6	10%	0.097	27%	0.27	C	S	.	.			trans	-75.6	129.2	175.3	178.8	0	0	0	0	109.9	F156 F158 R188 V192 Y305	F156-V307 HydrophobicContact CB-CG1 4.16Å; F156-V307 HydrophobicContact CD1-CG1 4.32Å; F158-V307 HydrophobicContact CB-CG1 4.19Å; F158-V307 HydrophobicContact CB-CG2 4.15Å; F158-V307 HydrophobicContact CD1-CG1 4.48Å; R188-V307 HydrophobicContact CB-CG2 4.31Å; R188-V307 HydrophobicContact CG-CG2 3.77Å; V192-V307 HydrophobicContact CB-CG2 4.22Å; V192-V307 HydrophobicContact CG1-CB 4.49Å; V192-V307 HydrophobicContact CG2-CB 4.47Å; V192-V307 HydrophobicContact CG2-CG2 3.96Å; Y305-V307 HydrophobicContact CE1-CG2 4.32Å
308	D	97.9	Very high	94.9	Very high	45 Å²	45	50.7 Å²	50.7	24%	0.241	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-82.6	148.6	175.9	-168.7	18.4	0	0	0	110.9	D157 S389 R499	D157-D308 HydrophobicContact CB-CB 4.18Å; D157-D308 PolarHBondContact N-O 3.38Å; D157-D308 PolarHBondContact O-N 3.03Å; D308-S389 PolarHBondContact OD2-OG 2.97Å; D308-R499 IonicContact OD2-CZ 2.66Å; D308-R499 IonicContact OD2-NH1 2.95Å; D308-R499 PolarHBondContact OD2-NH1 3.42Å; D308-R499 IonicContact OD2-NH2 3.82Å; D308-R499 PolarHBondContact OD2-NH2 3.06Å
309	R	97.8	Very high	94.4	Very high	150 Å²	150	50 Å²	50	57%	0.566	27%	0.27	S	S	*	.			trans	-136.2	69.4	-174	-67	179.6	-70.3	169.4	0.3	110.5	L155 F156	L155-R309 WeakPolarHBondContact O-CA 3.22Å; F156-R309 HydrophobicContact CD1-CG 4.22Å
310	P	97.1	Very high	94.1	Very high	28 Å²	28	48.8 Å²	48.8	18%	0.182	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-70.9	165.9	-177.8	30.9	-36.1	0	0	0	111.9	L155 F325 P326	L155-P310 HydrophobicContact CB-CG 4.2Å; L155-P310 HydrophobicContact CD2-CG 4.28Å; P310-F325 HydrophobicContact CG-CD1 4.22Å; P310-P326 HydrophobicContact CB-CG 3.66Å; P310-P326 HydrophobicContact CG-CG 4.07Å
311	N	96.4	Very high	94	Very high	148 Å²	148	45.7 Å²	45.7	79%	0.791	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-79.1	144.9	166.8	-68.7	-43.8	0	0	0	110.2
312	A	97.5	Very high	94	Very high	22 Å²	22	45.3 Å²	45.3	18%	0.182	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-66.4	134.6	175.1	0	0	0	0	0	111.1	L155 E323 S324	L155-A312 HydrophobicContact CD1-CB 3.82Å; L155-A312 HydrophobicContact CD2-CB 4.11Å; A312-E323 HydrophobicContact CB-CB 4.3Å; A312-S324 WeakPolarHBondContact CA-O 3.28Å
313	I	97.7	Very high	94.1	Very high	27 Å²	27	45.5 Å²	45.5	14%	0.138	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	150.7	164	53.7	166.3	0	0	0	109.4	E323 S324 F325 P326 P333 L336 F405	I313-E323 WeakPolarHBondContact O-CA 3.49Å; I313-S324 WeakPolarHBondContact CG1-O 3.23Å; I313-S324 PolarHBondContact N-O 3.07Å; I313-S324 PolarHBondContact O-N 3.38Å; I313-S324 VanDerWaalsContact O-N 3.14Å; I313-F325 VanDerWaalsContact CD1-O 3.3Å; I313-F325 WeakPolarHBondContact CD1-O 3.19Å; I313-F325 WeakPolarHBondContact CG1-O 3.24Å; I313-P326 HydrophobicContact CG2-CB 3.92Å; I313-P333 HydrophobicContact CD1-CB 4.44Å; I313-P333 HydrophobicContact CD1-CG 3.82Å; I313-L336 HydrophobicContact CB-CD2 4.24Å; I313-L336 HydrophobicContact CD1-CD2 3.72Å; I313-L336 HydrophobicContact CG1-CD2 3.68Å; I313-F405 HydrophobicContact CD1-CZ 3.9Å
314	K	96.6	Very high	94.3	Very high	114 Å²	114	42.6 Å²	42.6	50%	0.496	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	144.8	-172.2	-49.4	-167.2	-176.5	-157.9	0	112	T321 L322 E323	K314-T321 HydrophobicContact CB-CG2 4.37Å; K314-T321 HydrophobicContact CD-CG2 4.27Å; K314-L322 WeakPolarHBondContact CA-O 3.33Å; K314-E323 HydrophobicContact CD-CG 4.04Å; K314-E323 HydrophobicContact CG-CG 4.06Å; K314-E323 IonicContact NZ-OE1 3.7Å; K314-E323 PolarHBondContact NZ-OE1 2.95Å; K314-E323 IonicContact NZ-OE2 2.71Å
315	M	95.2	Very high	94.4	Very high	15 Å²	15	38.2 Å²	38.2	7%	0.074	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	144.8	169.4	-164.4	159	-69.1	0	0	110.7	L322 L336 L337 G340 F405	M315-L322 PolarHBondContact N-O 3.2Å; M315-L322 VanDerWaalsContact N-O 3.09Å; M315-L322 PolarHBondContact O-N 3.2Å; M315-L336 HydrophobicContact CB-CB 4.04Å; M315-L336 HydrophobicContact CB-CD2 4.37Å; M315-L336 HydrophobicContact CB-CG 3.92Å; M315-L337 HydrophobicContact CE-CD2 4.38Å; M315-G340 VanDerWaalsContact SD-CA 3.55Å; M315-F405 HydrophobicContact CE-CD1 3.4Å; M315-F405 VanDerWaalsContact CE-CD1 3.4Å; M315-F405 HydrophobicContact CE-CE1 3.41Å; M315-F405 VanDerWaalsContact CE-CE1 3.41Å; M315-F405 HydrophobicContact CE-CG 4.47Å; M315-F405 HydrophobicContact CE-CZ 4.45Å
316	G	90.8	Very high	94.5	Very high	42 Å²	42	37.7 Å²	37.7	43%	0.433	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	143.6	170.9	0	0	0	0	0	111	F320	G316-F320 WeakPolarHBondContact CA-O 3.41Å
317	F	90.1	Very high	94.6	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	119.2	173.4	174.7	-105.4	0	0	0	109.8	G319 F320 L322 L339 D343 I538 C539 A542 L543	F317-G319 PolarHBondContact O-N 3.01Å; F317-F320 PolarHBondContact N-O 3.37Å; F317-F320 WeakPolarHBondContact O-CA 3.49Å; F317-F320 WeakPolarHBondContact O-CB 3.23Å; F317-F320 PolarHBondContact O-N 2.92Å; F317-L322 HydrophobicContact CB-CD1 3.81Å; F317-L322 HydrophobicContact CB-CG 4.19Å; F317-L322 HydrophobicContact CG-CD1 4.43Å; F317-L339 HydrophobicContact CB-CB 4.45Å; F317-L339 HydrophobicContact CD2-CB 3.77Å; F317-L339 HydrophobicContact CD2-CD2 4.44Å; F317-L339 WeakPolarHBondContact CD2-O 3.35Å; F317-L339 HydrophobicContact CE1-CD2 4.3Å; F317-L339 HydrophobicContact CE2-CB 4.18Å; F317-L339 HydrophobicContact CE2-CD2 4.08Å; F317-L339 WeakPolarHBondContact CE2-O 3.44Å; F317-L339 HydrophobicContact CG-CB 4.05Å; F317-L339 HydrophobicContact CZ-CD2 4Å; F317-D343 HydrophobicContact CD2-CB 3.84Å; F317-D343 HydrophobicContact CE2-CB 4.33Å; F317-I538 HydrophobicContact CD1-CG2 3.78Å; F317-I538 HydrophobicContact CE1-CG2 3.64Å; F317-C539 HydrophobicContact CZ-CB 4.47Å; F317-A542 HydrophobicContact CD1-CB 4.38Å; F317-A542 HydrophobicContact CE1-CB 3.76Å; F317-L543 HydrophobicContact CE2-CD1 4.3Å; F317-L543 HydrophobicContact CZ-CD1 3.81Å; F317-L543 HydrophobicContact CZ-CD2 4.44Å; F317-L543 HydrophobicContact CZ-CG 3.96Å
318	A	84.2	Confident	94.6	Very high	5 Å²	5	32 Å²	32	4%	0.041	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	37.5	170.3	0	0	0	0	0	115.5	D343 A542 L543 S585	A318-D343 PolarHBondContact N-OD1 2.85Å; A318-D343 PolarHBondContact N-OD2 2.88Å; A318-A542 HydrophobicContact CB-CB 3.92Å; A318-L543 HydrophobicContact CB-CD2 3.83Å; A318-S585 WeakPolarHBondContact O-CB 3.49Å; A318-S585 PolarHBondContact O-OG 2.68Å
319	G	82	Confident	94.5	Very high	18 Å²	18	29.8 Å²	29.8	19%	0.186	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	2.4	-177.9	0	0	0	0	0	115.6	F317 T512	F317-G319 PolarHBondContact O-N 3.01Å; G319-T512 WeakPolarHBondContact O-CB 3.29Å; G319-T512 PolarHBondContact O-N 3.02Å; G319-T512 PolarHBondContact O-OG1 2.86Å; G319-T512 VanDerWaalsContact O-OG1 3.11Å
320	F	88.3	Confident	94.5	Very high	6 Å²	6	22.7 Å²	22.7	3%	0.026	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	153.5	172.2	-63.7	-77.7	0	0	0	112	G316 F317 L509 S510 A511 T512 I518 A542 A587 I588 I593	G316-F320 WeakPolarHBondContact CA-O 3.41Å; F317-F320 PolarHBondContact N-O 3.37Å; F317-F320 WeakPolarHBondContact O-CA 3.49Å; F317-F320 WeakPolarHBondContact O-CB 3.23Å; F317-F320 PolarHBondContact O-N 2.92Å; F320-L509 HydrophobicContact CD1-CD1 3.35Å; F320-L509 HydrophobicContact CE1-CD1 3.55Å; F320-L509 HydrophobicContact CG-CD1 3.97Å; F320-L509 HydrophobicContact CZ-CD1 4.31Å; F320-S510 CarbonylContact C-O 3.49Å; F320-S510 WeakPolarHBondContact CA-O 3.46Å; F320-A511 HydrophobicContact CD1-CB 4.5Å; F320-A511 HydrophobicContact CE1-CB 4.35Å; F320-T512 WeakPolarHBondContact CA-OG1 3.47Å; F320-T512 PolarHBondContact O-OG1 2.84Å; F320-I518 HydrophobicContact CE1-CB 4.01Å; F320-I518 HydrophobicContact CE1-CG2 4.21Å; F320-I518 HydrophobicContact CZ-CB 4.48Å; F320-A542 HydrophobicContact CD2-CB 4.13Å; F320-A542 HydrophobicContact CE2-CB 3.86Å; F320-A587 HydrophobicContact CE2-CB 3.77Å; F320-A587 HydrophobicContact CZ-CB 4.16Å; F320-I588 HydrophobicContact CE1-CG2 4.01Å; F320-I588 HydrophobicContact CE2-CG2 4.34Å; F320-I588 HydrophobicContact CZ-CG2 3.89Å; F320-I593 HydrophobicContact CE2-CD1 4.24Å; F320-I593 HydrophobicContact CZ-CD1 3.77Å
321	T	91.9	Very high	94.5	Very high	32 Å²	32	21.3 Å²	21.3	20%	0.196	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	120.3	162.1	-59.6	0	0	0	0	107.3	K314 E323 L509 S510 T512	K314-T321 HydrophobicContact CB-CG2 4.37Å; K314-T321 HydrophobicContact CD-CG2 4.27Å; T321-E323 HydrophobicContact CG2-CG 4.25Å; T321-L509 WeakPolarHBondContact O-CA 3.49Å; T321-S510 PolarHBondContact N-O 3.43Å; T321-S510 PolarHBondContact O-N 2.82Å; T321-T512 PolarHBondContact N-OG1 3.14Å; T321-T512 VanDerWaalsContact N-OG1 3.12Å; T321-T512 PolarHBondContact OG1-OG1 2.85Å
322	L	95.1	Very high	94.6	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	135	172.2	-53.9	178	0	0	0	108.5	K314 M315 F317 L336 L339 L509	K314-L322 WeakPolarHBondContact CA-O 3.33Å; M315-L322 PolarHBondContact N-O 3.2Å; M315-L322 VanDerWaalsContact N-O 3.09Å; M315-L322 PolarHBondContact O-N 3.2Å; F317-L322 HydrophobicContact CB-CD1 3.81Å; F317-L322 HydrophobicContact CB-CG 4.19Å; F317-L322 HydrophobicContact CG-CD1 4.43Å; L322-L336 HydrophobicContact CB-CD1 4.03Å; L322-L336 HydrophobicContact CB-CG 4.39Å; L322-L339 HydrophobicContact CD1-CB 3.92Å; L322-L339 HydrophobicContact CD1-CD1 3.48Å; L322-L339 VanDerWaalsContact CD1-CD1 3.48Å; L322-L339 HydrophobicContact CD1-CG 4.35Å; L322-L509 HydrophobicContact CD2-CB 3.73Å
323	E	97.1	Very high	94.6	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.019	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134.9	175.3	-53.5	-167	-175.2	0	0	109.5	L144 R146 S153 A312 I313 K314 T321 V507 Y508	L144-E323 HydrophobicContact CD1-CB 4.5Å; R146-E323 IonicContact CZ-OE1 3.23Å; R146-E323 VanDerWaalsContact NH1-CD 3.33Å; R146-E323 IonicContact NH1-OE1 3.14Å; R146-E323 PolarHBondContact NH1-OE1 3.17Å; R146-E323 IonicContact NH1-OE2 2.75Å; R146-E323 PolarHBondContact NH1-OE2 3.32Å; R146-E323 VanDerWaalsContact NH1-OE2 3.17Å; S153-E323 VanDerWaalsContact CB-OE2 3.23Å; S153-E323 WeakPolarHBondContact CB-OE2 3.46Å; S153-E323 PolarHBondContact OG-OE2 3.23Å; A312-E323 HydrophobicContact CB-CB 4.3Å; I313-E323 WeakPolarHBondContact O-CA 3.49Å; K314-E323 HydrophobicContact CD-CG 4.04Å; K314-E323 HydrophobicContact CG-CG 4.06Å; K314-E323 IonicContact NZ-OE1 3.7Å; K314-E323 PolarHBondContact NZ-OE1 2.95Å; K314-E323 IonicContact NZ-OE2 2.71Å; T321-E323 HydrophobicContact CG2-CG 4.25Å; E323-V507 WeakPolarHBondContact O-CA 3.16Å; E323-Y508 PolarHBondContact N-O 2.87Å; E323-Y508 PolarHBondContact O-N 3.32Å
324	S	98.2	Very high	94.6	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	-177.9	175.3	-162.2	0	0	0	0	111.5	A312 I313 G332 P506	A312-S324 WeakPolarHBondContact CA-O 3.28Å; I313-S324 WeakPolarHBondContact CG1-O 3.23Å; I313-S324 PolarHBondContact N-O 3.07Å; I313-S324 PolarHBondContact O-N 3.38Å; I313-S324 VanDerWaalsContact O-N 3.14Å; S324-G332 VanDerWaalsContact OG-CA 3.23Å; S324-G332 WeakPolarHBondContact OG-CA 3.47Å; S324-P506 WeakPolarHBondContact CB-O 3.47Å; S324-P506 PolarHBondContact OG-O 3.49Å
325	F	98.4	Very high	94.7	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	5%	0.051	C	C	.	.			trans	-73.6	146.2	178.4	-78.4	-101.2	0	0	0	112	A142 V143 L144 L155 D157 P310 I313 L329 G332 P333 P506	A142-F325 HydrophobicContact CB-CE1 4.2Å; A142-F325 HydrophobicContact CB-CE2 4.15Å; A142-F325 HydrophobicContact CB-CZ 3.92Å; V143-F325 VanDerWaalsContact C-CZ 3.5Å; V143-F325 WeakPolarHBondContact O-CZ 3.26Å; L144-F325 HydrophobicContact CB-CE2 4Å; L155-F325 HydrophobicContact CB-CD1 4.14Å; L155-F325 HydrophobicContact CB-CE1 3.57Å; L155-F325 HydrophobicContact CB-CZ 3.78Å; L155-F325 HydrophobicContact CD2-CB 4.28Å; L155-F325 HydrophobicContact CD2-CD1 3.64Å; L155-F325 HydrophobicContact CD2-CD2 4.04Å; L155-F325 HydrophobicContact CD2-CE1 3.91Å; L155-F325 HydrophobicContact CD2-CE2 4.28Å; L155-F325 HydrophobicContact CD2-CG 3.72Å; L155-F325 HydrophobicContact CD2-CZ 4.22Å; L155-F325 HydrophobicContact CG-CD1 4.03Å; L155-F325 HydrophobicContact CG-CD2 4.19Å; L155-F325 HydrophobicContact CG-CE1 3.76Å; L155-F325 HydrophobicContact CG-CE2 3.93Å; L155-F325 HydrophobicContact CG-CG 4.24Å; L155-F325 HydrophobicContact CG-CZ 3.7Å; D157-F325 HydrophobicContact CB-CD1 4.32Å; D157-F325 HydrophobicContact CB-CE1 3.96Å; P310-F325 HydrophobicContact CG-CD1 4.22Å; I313-F325 VanDerWaalsContact CD1-O 3.3Å; I313-F325 WeakPolarHBondContact CD1-O 3.19Å; I313-F325 WeakPolarHBondContact CG1-O 3.24Å; F325-L329 HydrophobicContact CB-CB 3.73Å; F325-L329 HydrophobicContact CB-CD1 3.86Å; F325-L329 HydrophobicContact CB-CG 4.45Å; F325-L329 HydrophobicContact CD1-CD1 3.34Å; F325-L329 HydrophobicContact CD2-CD1 4.37Å; F325-L329 HydrophobicContact CE1-CD1 3.9Å; F325-L329 HydrophobicContact CG-CB 4.4Å; F325-L329 HydrophobicContact CG-CD1 3.61Å; F325-G332 WeakPolarHBondContact O-CA 3.41Å; F325-P333 WeakPolarHBondContact O-CD 3.36Å; F325-P506 HydrophobicContact CD2-CG 4.31Å; F325-P506 HydrophobicContact CE2-CB 4.42Å; F325-P506 HydrophobicContact CE2-CG 4.04Å
326	P	98.2	Very high	94.8	Very high	8 Å²	8	5.8 Å²	5.8	5%	0.052	5%	0.047	C	C	.	.			trans	-77.5	175.6	161.8	34.5	-34	0	0	0	111.4	P310 I313 L329 L388	P310-P326 HydrophobicContact CB-CG 3.66Å; P310-P326 HydrophobicContact CG-CG 4.07Å; I313-P326 HydrophobicContact CG2-CB 3.92Å; P326-L329 PolarHBondContact O-N 3Å; P326-L388 HydrophobicContact CB-CD1 3.75Å; P326-L388 HydrophobicContact CG-CD1 4.32Å
327	P	98.1	Very high	95.2	Very high	5 Å²	5	3.9 Å²	3.9	3%	0.032	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	146	170.5	-27	37.3	0	0	0	112.7	P333 L385 G386 L388 L401	P327-P333 HydrophobicContact CG-CG 3.98Å; P327-L385 HydrophobicContact CB-CB 4.29Å; P327-L385 HydrophobicContact CG-CB 3.95Å; P327-L385 HydrophobicContact CG-CD1 3.57Å; P327-L385 HydrophobicContact CG-CD2 4.4Å; P327-L385 HydrophobicContact CG-CG 4.17Å; P327-G386 WeakPolarHBondContact CB-O 3.06Å; P327-L388 HydrophobicContact CB-CG 4.31Å; P327-L401 HydrophobicContact CG-CD1 4.22Å
328	P	97.2	Very high	95.6	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	cis	-82	-5.5	16.8	33.5	-37.7	0	0	0	115.4	V330 D387 R499 P500 L501 I502	P328-V330 VanDerWaalsContact C-N 3.3Å; P328-V330 PolarHBondContact O-N 2.97Å; P328-D387 HydrophobicContact CB-CB 4.43Å; P328-R499 HydrophobicContact CB-CB 4.27Å; P328-R499 HydrophobicContact CG-CB 3.91Å; P328-P500 WeakPolarHBondContact CB-O 3.11Å; P328-L501 WeakPolarHBondContact O-CA 3.25Å; P328-I502 PolarHBondContact O-N 3.16Å
329	L	97.6	Very high	96.1	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	3%	0.025	C	C	.	.	B	Isolated β-bridge	trans	-75.5	80.2	174	-73.5	155	0	0	0	110.5	A142 D157 T159 F325 P326 G331 G332 P333 F461 I502 I504	A142-L329 HydrophobicContact CB-CD1 3.47Å; A142-L329 VanDerWaalsContact CB-CD1 3.47Å; A142-L329 HydrophobicContact CB-CD2 3.98Å; A142-L329 HydrophobicContact CB-CG 4.39Å; D157-L329 HydrophobicContact CB-CD1 4.31Å; T159-L329 HydrophobicContact CG2-CD1 4.26Å; T159-L329 HydrophobicContact CG2-CD2 4.03Å; T159-L329 HydrophobicContact CG2-CG 4.12Å; F325-L329 HydrophobicContact CB-CB 3.73Å; F325-L329 HydrophobicContact CB-CD1 3.86Å; F325-L329 HydrophobicContact CB-CG 4.45Å; F325-L329 HydrophobicContact CD1-CD1 3.34Å; F325-L329 HydrophobicContact CD2-CD1 4.37Å; F325-L329 HydrophobicContact CE1-CD1 3.9Å; F325-L329 HydrophobicContact CG-CB 4.4Å; F325-L329 HydrophobicContact CG-CD1 3.61Å; P326-L329 PolarHBondContact O-N 3Å; L329-G331 PolarHBondContact O-N 3.36Å; L329-G332 PolarHBondContact O-N 3.22Å; L329-P333 VanDerWaalsContact O-CD 3.26Å; L329-P333 WeakPolarHBondContact O-CD 3.47Å; L329-F461 HydrophobicContact CD2-CZ 4.29Å; L329-I502 CarbonylContact C-O 3.06Å; L329-I502 WeakPolarHBondContact CA-O 3.48Å; L329-I502 HydrophobicContact CD2-CB 4.11Å; L329-I502 HydrophobicContact CD2-CG2 3.93Å; L329-I504 HydrophobicContact CD2-CB 4.27Å
330	V	97	Very high	96.8	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-12.3	-172.7	-67.9	0	0	0	0	114.7	P328 G332 P333 Y334 V382 L385 L432 L501 I502	P328-V330 VanDerWaalsContact C-N 3.3Å; P328-V330 PolarHBondContact O-N 2.97Å; V330-G332 PolarHBondContact O-N 2.99Å; V330-P333 WeakPolarHBondContact O-CD 3.32Å; V330-Y334 VanDerWaalsContact O-CB 3.3Å; V330-Y334 WeakPolarHBondContact O-CB 3.28Å; V330-Y334 PolarHBondContact O-N 3.43Å; V330-V382 HydrophobicContact CB-CB 3.96Å; V330-V382 HydrophobicContact CB-CG2 4.17Å; V330-V382 HydrophobicContact CG1-CB 4.33Å; V330-V382 HydrophobicContact CG2-CG2 4.41Å; V330-L385 HydrophobicContact CG1-CB 4.24Å; V330-L385 HydrophobicContact CG1-CD1 4.17Å; V330-L432 HydrophobicContact CG2-CD1 3.78Å; V330-L501 HydrophobicContact CG1-CB 3.96Å; V330-L501 HydrophobicContact CG1-CD1 4.07Å; V330-L501 HydrophobicContact CG1-CD2 3.59Å; V330-L501 HydrophobicContact CG1-CG 4.03Å; V330-L501 HydrophobicContact CG2-CB 4.12Å; V330-I502 WeakPolarHBondContact CG2-O 3.38Å; V330-I502 PolarHBondContact N-O 3.17Å
331	G	96.9	Very high	97.2	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-61.5	-30.7	171.9	0	0	0	0	0	113	L329 I335 I504	L329-G331 PolarHBondContact O-N 3.36Å; G331-I335 WeakPolarHBondContact O-CG2 3.39Å; G331-I335 PolarHBondContact O-N 3.32Å; G331-I335 VanDerWaalsContact O-N 3.11Å; G331-I504 WeakPolarHBondContact CA-O 3.36Å; G331-I504 PolarHBondContact N-O 2.96Å
332	G	98.1	Very high	97.4	Very high	0 Å²	0	1.3 Å²	1.3	0%	0	1%	0.008	C	C	.	.	H	α-helix	trans	-65.5	-57.3	174.8	0	0	0	0	0	113	S324 F325 L329 V330 Y334 I335 L336	S324-G332 VanDerWaalsContact OG-CA 3.23Å; S324-G332 WeakPolarHBondContact OG-CA 3.47Å; F325-G332 WeakPolarHBondContact O-CA 3.41Å; L329-G332 PolarHBondContact O-N 3.22Å; V330-G332 PolarHBondContact O-N 2.99Å; G332-Y334 VanDerWaalsContact C-N 3.27Å; G332-Y334 PolarHBondContact O-N 3.01Å; G332-I335 PolarHBondContact O-N 3.48Å; G332-L336 WeakPolarHBondContact O-CB 3.5Å; G332-L336 WeakPolarHBondContact O-CD1 3.49Å; G332-L336 PolarHBondContact O-N 2.91Å
333	P	98.5	Very high	97.3	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-52.8	-42.5	171.3	-31.2	37.6	0	0	0	113.7	I313 F325 P327 L329 V330 L337 V382 L385 L401 F405	I313-P333 HydrophobicContact CD1-CB 4.44Å; I313-P333 HydrophobicContact CD1-CG 3.82Å; F325-P333 WeakPolarHBondContact O-CD 3.36Å; P327-P333 HydrophobicContact CG-CG 3.98Å; L329-P333 VanDerWaalsContact O-CD 3.26Å; L329-P333 WeakPolarHBondContact O-CD 3.47Å; V330-P333 WeakPolarHBondContact O-CD 3.32Å; P333-L337 VanDerWaalsContact O-CB 3.31Å; P333-L337 WeakPolarHBondContact O-CB 3.48Å; P333-L337 WeakPolarHBondContact O-CD1 3.33Å; P333-L337 WeakPolarHBondContact O-CG 3.39Å; P333-L337 PolarHBondContact O-N 2.91Å; P333-V382 HydrophobicContact CB-CG1 3.77Å; P333-L385 HydrophobicContact CB-CD1 3.9Å; P333-L385 HydrophobicContact CG-CD1 3.99Å; P333-L401 HydrophobicContact CG-CD1 4.25Å; P333-F405 HydrophobicContact CB-CE2 4.02Å; P333-F405 HydrophobicContact CB-CZ 4.3Å
334	Y	98	Very high	97.1	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-57.2	-57.8	-179.5	170.9	-100.3	0	0	0	112.1	V330 G332 L336 L337 L338 A375 A378 E379 L528 L531 T532	V330-Y334 VanDerWaalsContact O-CB 3.3Å; V330-Y334 WeakPolarHBondContact O-CB 3.28Å; V330-Y334 PolarHBondContact O-N 3.43Å; G332-Y334 VanDerWaalsContact C-N 3.27Å; G332-Y334 PolarHBondContact O-N 3.01Å; Y334-L336 PolarHBondContact O-N 3.23Å; Y334-L337 PolarHBondContact O-N 2.84Å; Y334-L338 HydrophobicContact CE1-CD2 4.21Å; Y334-L338 WeakPolarHBondContact O-CB 3.48Å; Y334-L338 PolarHBondContact O-N 3.39Å; Y334-A375 WeakPolarHBondContact CE2-O 3.16Å; Y334-A375 WeakPolarHBondContact OH-CB 3.16Å; Y334-A378 HydrophobicContact CD2-CB 3.72Å; Y334-A378 HydrophobicContact CE2-CB 3.88Å; Y334-E379 HydrophobicContact CD2-CB 4.31Å; Y334-E379 HydrophobicContact CE2-CB 4.04Å; Y334-L528 HydrophobicContact CD1-CD2 3.81Å; Y334-L528 HydrophobicContact CD2-CD1 4.02Å; Y334-L528 HydrophobicContact CD2-CD2 4.28Å; Y334-L528 HydrophobicContact CE1-CD2 4.36Å; Y334-L528 HydrophobicContact CE2-CD1 4.18Å; Y334-L528 HydrophobicContact CG-CD1 4.33Å; Y334-L528 HydrophobicContact CG-CD2 3.76Å; Y334-L531 HydrophobicContact CD1-CB 3.89Å; Y334-L531 HydrophobicContact CD1-CD1 4.34Å; Y334-L531 HydrophobicContact CE1-CB 3.88Å; Y334-T532 PolarHBondContact OH-OG1 2.94Å
335	I	97.5	Very high	97	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-70.6	-33	-173.9	-166.6	163	0	0	0	112.5	G331 G332 L339 V507 L531 A534 A535 I538	G331-I335 WeakPolarHBondContact O-CG2 3.39Å; G331-I335 PolarHBondContact O-N 3.32Å; G331-I335 VanDerWaalsContact O-N 3.11Å; G332-I335 PolarHBondContact O-N 3.48Å; I335-L339 HydrophobicContact CG1-CD1 3.9Å; I335-L339 HydrophobicContact CG1-CG 4.37Å; I335-L339 WeakPolarHBondContact O-CB 3.5Å; I335-L339 WeakPolarHBondContact O-CG 3.26Å; I335-L339 PolarHBondContact O-N 3.44Å; I335-V507 HydrophobicContact CD1-CG2 4.09Å; I335-V507 HydrophobicContact CG2-CG2 3.59Å; I335-L531 HydrophobicContact CB-CD2 4.43Å; I335-L531 HydrophobicContact CD1-CD2 3.96Å; I335-L531 HydrophobicContact CG2-CD2 4.5Å; I335-A534 HydrophobicContact CD1-CB 3.86Å; I335-A535 HydrophobicContact CD1-CB 4.44Å; I335-A535 HydrophobicContact CG1-CB 4.31Å; I335-I538 HydrophobicContact CD1-CD1 4.19Å
336	L	98.3	Very high	96.7	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-65.5	-48	174.3	-89.7	51.4	0	0	0	110.8	I313 M315 L322 G332 Y334 G340 F405	I313-L336 HydrophobicContact CB-CD2 4.24Å; I313-L336 HydrophobicContact CD1-CD2 3.72Å; I313-L336 HydrophobicContact CG1-CD2 3.68Å; M315-L336 HydrophobicContact CB-CB 4.04Å; M315-L336 HydrophobicContact CB-CD2 4.37Å; M315-L336 HydrophobicContact CB-CG 3.92Å; L322-L336 HydrophobicContact CB-CD1 4.03Å; L322-L336 HydrophobicContact CB-CG 4.39Å; G332-L336 WeakPolarHBondContact O-CB 3.5Å; G332-L336 WeakPolarHBondContact O-CD1 3.49Å; G332-L336 PolarHBondContact O-N 2.91Å; Y334-L336 PolarHBondContact O-N 3.23Å; L336-G340 PolarHBondContact O-N 3.46Å; L336-F405 HydrophobicContact CB-CE1 4.36Å; L336-F405 HydrophobicContact CB-CZ 4.33Å
337	L	98.3	Very high	96.3	Very high	2 Å²	2	10 Å²	10	1%	0.01	6%	0.056	C	C	.	.	H	α-helix	trans	-62.6	-43.8	176.8	-73.4	168.8	0	0	0	111.8	M315 P333 Y334 N341 A378 I404 F405 R410	M315-L337 HydrophobicContact CE-CD2 4.38Å; P333-L337 VanDerWaalsContact O-CB 3.31Å; P333-L337 WeakPolarHBondContact O-CB 3.48Å; P333-L337 WeakPolarHBondContact O-CD1 3.33Å; P333-L337 WeakPolarHBondContact O-CG 3.39Å; P333-L337 PolarHBondContact O-N 2.91Å; Y334-L337 PolarHBondContact O-N 2.84Å; L337-N341 WeakPolarHBondContact O-CB 3.25Å; L337-N341 PolarHBondContact O-N 2.99Å; L337-N341 PolarHBondContact O-ND2 3.38Å; L337-A378 HydrophobicContact CB-CB 4.26Å; L337-I404 HydrophobicContact CD1-CB 4.35Å; L337-I404 HydrophobicContact CD1-CD1 3.63Å; L337-I404 HydrophobicContact CD1-CG1 3.97Å; L337-I404 WeakPolarHBondContact CD2-O 3.13Å; L337-F405 HydrophobicContact CD1-CE2 4.21Å; L337-F405 HydrophobicContact CD2-CD2 4.36Å; L337-F405 HydrophobicContact CD2-CE2 4.32Å; L337-F405 HydrophobicContact CD2-CG 4.49Å; L337-F405 HydrophobicContact CD2-CZ 4.46Å; L337-F405 HydrophobicContact CG-CE2 4.13Å; L337-F405 HydrophobicContact CG-CZ 4.18Å; L337-R410 HydrophobicContact CD2-CG 4.37Å
338	L	97.8	Very high	95.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-56.7	-57.1	178.1	175.8	52.2	0	0	0	111.3	Y334 L342 L371 L374 A375 A378 A535	Y334-L338 HydrophobicContact CE1-CD2 4.21Å; Y334-L338 WeakPolarHBondContact O-CB 3.48Å; Y334-L338 PolarHBondContact O-N 3.39Å; L338-L342 WeakPolarHBondContact O-CB 3.16Å; L338-L342 PolarHBondContact O-N 3.25Å; L338-L371 HydrophobicContact CD1-CD1 3.75Å; L338-L371 WeakPolarHBondContact CD1-O 3.43Å; L338-L371 HydrophobicContact CD2-CD1 4.2Å; L338-L371 HydrophobicContact CG-CD1 4.01Å; L338-L374 HydrophobicContact CD1-CB 3.72Å; L338-A375 HydrophobicContact CD1-CB 4.07Å; L338-A375 HydrophobicContact CD2-CB 4.19Å; L338-A378 HydrophobicContact CB-CB 4.3Å; L338-A535 HydrophobicContact CD2-CB 3.55Å; L338-A535 HydrophobicContact CG-CB 4.21Å
339	L	96.5	Very high	95.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-68.5	-46.1	-176.5	-69.6	174.2	0	0	0	111.8	F317 L322 I335 N341 L342 D343 A535 I538 C539	F317-L339 HydrophobicContact CB-CB 4.45Å; F317-L339 HydrophobicContact CD2-CB 3.77Å; F317-L339 HydrophobicContact CD2-CD2 4.44Å; F317-L339 WeakPolarHBondContact CD2-O 3.35Å; F317-L339 HydrophobicContact CE1-CD2 4.3Å; F317-L339 HydrophobicContact CE2-CB 4.18Å; F317-L339 HydrophobicContact CE2-CD2 4.08Å; F317-L339 WeakPolarHBondContact CE2-O 3.44Å; F317-L339 HydrophobicContact CG-CB 4.05Å; F317-L339 HydrophobicContact CZ-CD2 4Å; L322-L339 HydrophobicContact CD1-CB 3.92Å; L322-L339 HydrophobicContact CD1-CD1 3.48Å; L322-L339 VanDerWaalsContact CD1-CD1 3.48Å; L322-L339 HydrophobicContact CD1-CG 4.35Å; I335-L339 HydrophobicContact CG1-CD1 3.9Å; I335-L339 HydrophobicContact CG1-CG 4.37Å; I335-L339 WeakPolarHBondContact O-CB 3.5Å; I335-L339 WeakPolarHBondContact O-CG 3.26Å; I335-L339 PolarHBondContact O-N 3.44Å; L339-N341 PolarHBondContact O-N 3.12Å; L339-L342 WeakPolarHBondContact O-CB 3.37Å; L339-L342 PolarHBondContact O-N 3.1Å; L339-D343 PolarHBondContact O-N 2.72Å; L339-A535 HydrophobicContact CD2-CB 3.93Å; L339-A535 HydrophobicContact CG-CB 4.2Å; L339-I538 HydrophobicContact CD1-CB 4.11Å; L339-I538 HydrophobicContact CD1-CD1 3.7Å; L339-I538 HydrophobicContact CD1-CG2 3.82Å; L339-I538 HydrophobicContact CD2-CG2 4.38Å; L339-C539 WeakPolarHBondContact CD2-SG 3.22Å
340	G	96.2	Very high	95.4	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-72.9	-25.5	-178.3	0	0	0	0	0	114.1	M315 L336 L344 R410	M315-G340 VanDerWaalsContact SD-CA 3.55Å; L336-G340 PolarHBondContact O-N 3.46Å; G340-L344 WeakPolarHBondContact O-CB 3.35Å; G340-L344 PolarHBondContact O-N 2.69Å; G340-R410 VanDerWaalsContact C-NH2 3.28Å; G340-R410 PolarHBondContact O-NH2 3.36Å
341	N	97.3	Very high	95	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.027	13%	0.131	C	C	.	.	H	α-helix	trans	-75.7	-31.7	169.9	-68.6	-12.7	0	0	0	111.4	L337 L339 L344 K345 L374 R410 V414	L337-N341 WeakPolarHBondContact O-CB 3.25Å; L337-N341 PolarHBondContact O-N 2.99Å; L337-N341 PolarHBondContact O-ND2 3.38Å; L339-N341 PolarHBondContact O-N 3.12Å; N341-L344 PolarHBondContact O-N 2.91Å; N341-K345 WeakPolarHBondContact O-CB 3.33Å; N341-K345 PolarHBondContact O-N 3.1Å; N341-L374 HydrophobicContact CB-CD1 4.28Å; N341-L374 HydrophobicContact CB-CD2 3.9Å; N341-R410 WeakPolarHBondContact OD1-CB 3.39Å; N341-R410 VanDerWaalsContact OD1-CG 3.31Å; N341-R410 WeakPolarHBondContact OD1-CG 3.12Å; N341-R410 PolarHBondContact OD1-NE 2.95Å; N341-V414 HydrophobicContact CB-CG2 3.93Å; N341-V414 VanDerWaalsContact O-CG2 3.31Å; N341-V414 WeakPolarHBondContact O-CG2 3.49Å
342	L	95	Very high	94.4	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-64.6	-44.4	171.5	-175.4	70.5	0	0	0	111.2	L338 L339 L344 K345 D346 Y367 R370 L371 L374 C539 L543	L338-L342 WeakPolarHBondContact O-CB 3.16Å; L338-L342 PolarHBondContact O-N 3.25Å; L339-L342 WeakPolarHBondContact O-CB 3.37Å; L339-L342 PolarHBondContact O-N 3.1Å; L342-L344 VanDerWaalsContact C-N 3.32Å; L342-L344 PolarHBondContact O-N 3.5Å; L342-K345 PolarHBondContact O-N 3.06Å; L342-D346 WeakPolarHBondContact O-CB 3.4Å; L342-D346 PolarHBondContact O-N 3.34Å; L342-Y367 HydrophobicContact CD2-CD2 4.26Å; L342-Y367 HydrophobicContact CD2-CE2 3.78Å; L342-R370 HydrophobicContact CD1-CB 3.78Å; L342-L371 HydrophobicContact CD2-CD1 4.05Å; L342-L374 HydrophobicContact CB-CD1 3.91Å; L342-L374 HydrophobicContact CD1-CD1 4.01Å; L342-C539 WeakPolarHBondContact CD2-SG 3.25Å; L342-L543 HydrophobicContact CD2-CD1 4.37Å
343	D	92.6	Very high	93.5	Very high	40 Å²	40	31 Å²	31	21%	0.214	17%	0.172	C	C	.	.	H	α-helix	trans	-60	-41.7	174.1	-156.7	41.8	0	0	0	111.6	F317 A318 L339 D346 T347	F317-D343 HydrophobicContact CD2-CB 3.84Å; F317-D343 HydrophobicContact CE2-CB 4.33Å; A318-D343 PolarHBondContact N-OD1 2.85Å; A318-D343 PolarHBondContact N-OD2 2.88Å; L339-D343 PolarHBondContact O-N 2.72Å; D343-D346 PolarHBondContact O-N 3.17Å; D343-T347 WeakPolarHBondContact O-CB 3.47Å; D343-T347 PolarHBondContact O-N 3.29Å; D343-T347 PolarHBondContact O-OG1 3.39Å
344	L	94.1	Very high	92.5	Very high	33 Å²	33	40 Å²	40	17%	0.173	21%	0.206	C	C	.	.	H	α-helix	trans	-66.7	-42.6	176.2	179.9	60	0	0	0	111.8	G340 N341 L342 D346 T347 L348 R410 E411 V414	G340-L344 WeakPolarHBondContact O-CB 3.35Å; G340-L344 PolarHBondContact O-N 2.69Å; N341-L344 PolarHBondContact O-N 2.91Å; L342-L344 VanDerWaalsContact C-N 3.32Å; L342-L344 PolarHBondContact O-N 3.5Å; L344-D346 VanDerWaalsContact C-N 3.32Å; L344-D346 PolarHBondContact O-N 3.28Å; L344-T347 WeakPolarHBondContact O-CB 3.31Å; L344-T347 PolarHBondContact O-N 2.82Å; L344-L348 HydrophobicContact CD1-CD1 4.32Å; L344-L348 HydrophobicContact CD1-CG 4.35Å; L344-L348 HydrophobicContact CG-CD1 4.34Å; L344-L348 WeakPolarHBondContact O-CG 3.37Å; L344-L348 PolarHBondContact O-N 3.42Å; L344-R410 HydrophobicContact CD2-CB 4.07Å; L344-E411 HydrophobicContact CD2-CG 4.17Å; L344-V414 HydrophobicContact CB-CG2 4.2Å; L344-V414 HydrophobicContact CD2-CG2 4.01Å; L344-V414 HydrophobicContact CG-CG2 4.12Å
345	K	94.6	Very high	91.7	Very high	17 Å²	17	40.8 Å²	40.8	7%	0.074	21%	0.213	C	C	.	.	H	α-helix	trans	-60.4	-43.7	175.2	179.9	66.6	-175.4	-171.6	0	111.1	N341 L342 L348 T349 R370 V414 V417 D419	N341-K345 WeakPolarHBondContact O-CB 3.33Å; N341-K345 PolarHBondContact O-N 3.1Å; L342-K345 PolarHBondContact O-N 3.06Å; K345-L348 PolarHBondContact O-N 3.14Å; K345-T349 PolarHBondContact O-N 2.76Å; K345-R370 HydrophobicContact CG-CG 4.22Å; K345-V414 VanDerWaalsContact CA-CG1 3.47Å; K345-V414 HydrophobicContact CB-CG1 3.69Å; K345-V414 HydrophobicContact CB-CG2 4.34Å; K345-V414 HydrophobicContact CD-CG1 3.6Å; K345-V414 HydrophobicContact CG-CG1 4.22Å; K345-V417 PolarHBondContact NZ-O 3.04Å; K345-D419 WeakPolarHBondContact CE-OD1 3.48Å; K345-D419 IonicContact NZ-OD1 2.67Å
346	D	92	Very high	90.9	Very high	18 Å²	18	40.9 Å²	40.9	10%	0.096	21%	0.213	C	C	.	.	H	α-helix	trans	-68.7	-34.3	177.6	-163.8	50.6	0	0	0	111.9	L342 D343 L344 L348 T349 P350 L351 H353 R370	L342-D346 WeakPolarHBondContact O-CB 3.4Å; L342-D346 PolarHBondContact O-N 3.34Å; D343-D346 PolarHBondContact O-N 3.17Å; L344-D346 VanDerWaalsContact C-N 3.32Å; L344-D346 PolarHBondContact O-N 3.28Å; D346-L348 PolarHBondContact O-N 3.3Å; D346-T349 CarbonylContact O-C 3.59Å; D346-P350 WeakPolarHBondContact O-CA 3.4Å; D346-P350 WeakPolarHBondContact O-CD 3.42Å; D346-P350 WeakPolarHBondContact O-CG 3.47Å; D346-L351 WeakPolarHBondContact OD1-CG 3.14Å; D346-L351 PolarHBondContact OD1-N 2.85Å; D346-H353 IonicContact OD2-CE1 3.8Å; D346-H353 PolarHBondContact OD2-CE1 3Å; D346-H353 IonicContact OD2-NE2 2.67Å; D346-H353 PolarHBondContact OD2-NE2 3.34Å; D346-R370 IonicContact OD1-NH1 3.32Å
347	T	90.2	Very high	89.7	Confident	87 Å²	87	44 Å²	44	53%	0.534	23%	0.229	S	C	.	.	H	α-helix	trans	-63.6	-40.6	172.5	-59.9	0	0	0	0	112.2	D343 L344	D343-T347 WeakPolarHBondContact O-CB 3.47Å; D343-T347 PolarHBondContact O-N 3.29Å; D343-T347 PolarHBondContact O-OG1 3.39Å; L344-T347 WeakPolarHBondContact O-CB 3.31Å; L344-T347 PolarHBondContact O-N 2.82Å
348	L	90.8	Very high	88.6	Confident	103 Å²	103	49.5 Å²	49.5	54%	0.539	26%	0.259	S	S	.	.	H	α-helix	trans	-81.2	-34.2	-178.3	-66.9	176.5	0	0	0	113	L344 K345 D346 V414	L344-L348 HydrophobicContact CD1-CD1 4.32Å; L344-L348 HydrophobicContact CD1-CG 4.35Å; L344-L348 HydrophobicContact CG-CD1 4.34Å; L344-L348 WeakPolarHBondContact O-CG 3.37Å; L344-L348 PolarHBondContact O-N 3.42Å; K345-L348 PolarHBondContact O-N 3.14Å; D346-L348 PolarHBondContact O-N 3.3Å; L348-V414 HydrophobicContact CD1-CG1 3.9Å
349	T	92.3	Very high	87.5	Confident	62 Å²	62	53.9 Å²	53.9	38%	0.38	28%	0.279	S	S	.	.	S	Bend	trans	-137.9	78.9	-179.8	-47.5	0	0	0	0	108.6	K345 D346 L351 R370	K345-T349 PolarHBondContact O-N 2.76Å; D346-T349 CarbonylContact O-C 3.59Å; T349-L351 PolarHBondContact O-N 3.03Å; T349-R370 PolarHBondContact O-NH1 3.42Å; T349-R370 PolarHBondContact O-NH2 2.91Å
350	P	90.8	Very high	86.9	Confident	93 Å²	93	56.7 Å²	56.7	60%	0.604	29%	0.294	S	S	*	.			trans	-59.7	135.9	-172.8	-24.2	33.4	0	0	0	113	D346	D346-P350 WeakPolarHBondContact O-CA 3.4Å; D346-P350 WeakPolarHBondContact O-CD 3.42Å; D346-P350 WeakPolarHBondContact O-CG 3.47Å
351	L	88.5	Confident	86.2	Confident	17 Å²	17	58.3 Å²	58.3	9%	0.089	31%	0.305	C	S	.	.			trans	-74	155.8	166.2	-64.5	173.3	0	0	0	110.3	D346 T349 H353 L356 V363 I366	D346-L351 WeakPolarHBondContact OD1-CG 3.14Å; D346-L351 PolarHBondContact OD1-N 2.85Å; T349-L351 PolarHBondContact O-N 3.03Å; L351-H353 VanDerWaalsContact C-N 3.31Å; L351-H353 PolarHBondContact O-CD2 3.47Å; L351-H353 PolarHBondContact O-N 3.37Å; L351-L356 HydrophobicContact CD1-CD2 4.26Å; L351-V363 HydrophobicContact CB-CG1 4Å; L351-V363 HydrophobicContact CD2-CG1 4.05Å; L351-V363 HydrophobicContact CG-CG1 4.46Å; L351-I366 HydrophobicContact CD2-CB 4.19Å; L351-I366 HydrophobicContact CD2-CG2 3.71Å
352	D	85.8	Confident	85.8	Confident	95 Å²	95	62.5 Å²	62.5	51%	0.508	33%	0.326	S	S	.	.			trans	-72.8	92.4	163.9	-176.7	-16.7	0	0	0	108.5	R354 A355 L356 V363	D352-R354 PolarHBondContact O-N 2.96Å; D352-R354 WeakPolarHBondContact OD1-CA 3.43Å; D352-R354 WeakPolarHBondContact OD1-CB 3.35Å; D352-R354 PolarHBondContact OD1-N 2.6Å; D352-A355 HydrophobicContact CB-CB 3.8Å; D352-A355 WeakPolarHBondContact O-CB 3.44Å; D352-A355 PolarHBondContact O-N 2.93Å; D352-A355 VanDerWaalsContact O-N 3.13Å; D352-A355 PolarHBondContact OD1-N 3.14Å; D352-L356 WeakPolarHBondContact O-CB 3.45Å; D352-L356 PolarHBondContact O-N 3.1Å; D352-V363 HydrophobicContact CB-CG2 4.47Å
353	H	78.6	Confident	85.5	Confident	75 Å²	75	63.3 Å²	63.3	35%	0.347	33%	0.331	S	S	.	.	H	α-helix	trans	-57.3	-33.1	179.4	-63.6	-101.7	0	0	0	111.7	D346 L351 L356 L357	D346-H353 IonicContact OD2-CE1 3.8Å; D346-H353 PolarHBondContact OD2-CE1 3Å; D346-H353 IonicContact OD2-NE2 2.67Å; D346-H353 PolarHBondContact OD2-NE2 3.34Å; L351-H353 VanDerWaalsContact C-N 3.31Å; L351-H353 PolarHBondContact O-CD2 3.47Å; L351-H353 PolarHBondContact O-N 3.37Å; H353-L356 WeakPolarHBondContact O-CB 3.39Å; H353-L356 PolarHBondContact O-N 2.68Å; H353-L357 WeakPolarHBondContact O-CB 3.35Å; H353-L357 WeakPolarHBondContact O-CG 3.32Å; H353-L357 PolarHBondContact O-N 2.87Å
354	R	76.6	Confident	85.2	Confident	191 Å²	191	62 Å²	62	72%	0.721	33%	0.325	S	S	*	.	H	α-helix	trans	-69.4	-42	179.1	-174.4	179.1	-178.3	178.3	-0.7	110.9	D352 L356 L357 N358	D352-R354 PolarHBondContact O-N 2.96Å; D352-R354 WeakPolarHBondContact OD1-CA 3.43Å; D352-R354 WeakPolarHBondContact OD1-CB 3.35Å; D352-R354 PolarHBondContact OD1-N 2.6Å; R354-L356 VanDerWaalsContact C-N 3.33Å; R354-L357 PolarHBondContact O-N 2.97Å; R354-N358 VanDerWaalsContact O-CG 3.3Å; R354-N358 PolarHBondContact O-N 2.93Å; R354-N358 PolarHBondContact O-ND2 3.22Å
355	A	83	Confident	85.1	Confident	16 Å²	16	60.6 Å²	60.6	13%	0.132	32%	0.318	C	S	.	.	H	α-helix	trans	-62.5	-42.4	172.7	0	0	0	0	0	111.1	D352 N358 Q359 D360 V363	D352-A355 HydrophobicContact CB-CB 3.8Å; D352-A355 WeakPolarHBondContact O-CB 3.44Å; D352-A355 PolarHBondContact O-N 2.93Å; D352-A355 VanDerWaalsContact O-N 3.13Å; D352-A355 PolarHBondContact OD1-N 3.14Å; A355-N358 CarbonylContact O-C 3.39Å; A355-N358 WeakPolarHBondContact O-CA 3.49Å; A355-N358 PolarHBondContact O-N 3.3Å; A355-N358 VanDerWaalsContact O-N 3.11Å; A355-Q359 PolarHBondContact O-N 3.38Å; A355-Q359 VanDerWaalsContact O-N 3.16Å; A355-D360 HydrophobicContact CB-CB 3.77Å; A355-D360 WeakPolarHBondContact O-CB 3.35Å; A355-D360 PolarHBondContact O-N 3.34Å; A355-V363 HydrophobicContact CB-CB 4.33Å; A355-V363 HydrophobicContact CB-CG2 3.72Å
356	L	79.7	Confident	85	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-61.2	-44.8	176.7	-164.8	65.7	0	0	0	112.7	L351 D352 H353 R354 N358 Q359 V363 F544	L351-L356 HydrophobicContact CD1-CD2 4.26Å; D352-L356 WeakPolarHBondContact O-CB 3.45Å; D352-L356 PolarHBondContact O-N 3.1Å; H353-L356 WeakPolarHBondContact O-CB 3.39Å; H353-L356 PolarHBondContact O-N 2.68Å; R354-L356 VanDerWaalsContact C-N 3.33Å; L356-N358 PolarHBondContact O-N 3.08Å; L356-Q359 PolarHBondContact O-N 3.12Å; L356-Q359 VanDerWaalsContact O-N 3.08Å; L356-V363 HydrophobicContact CB-CG1 4.18Å; L356-V363 HydrophobicContact CD1-CG1 4.09Å; L356-F544 HydrophobicContact CD1-CD1 4.16Å; L356-F544 HydrophobicContact CD1-CE1 3.27Å; L356-F544 HydrophobicContact CD1-CE2 4.18Å; L356-F544 HydrophobicContact CD1-CZ 3.28Å; L356-F544 HydrophobicContact CD2-CD1 4.45Å; L356-F544 HydrophobicContact CD2-CD2 4.26Å; L356-F544 HydrophobicContact CD2-CE1 4.13Å; L356-F544 HydrophobicContact CD2-CE2 3.86Å; L356-F544 HydrophobicContact CD2-CZ 3.81Å; L356-F544 HydrophobicContact CG-CD1 3.78Å; L356-F544 HydrophobicContact CG-CD2 4.44Å; L356-F544 HydrophobicContact CG-CE1 3.38Å; L356-F544 HydrophobicContact CG-CE2 4.07Å; L356-F544 HydrophobicContact CG-CG 4.31Å; L356-F544 HydrophobicContact CG-CZ 3.54Å
357	L	73.9	Confident	85	Confident	65 Å²	65	61 Å²	61	34%	0.34	32%	0.32	S	S	.	.	H	α-helix	trans	-58.5	-35	173.8	-72	179.3	0	0	0	111.9	H353 R354 Q359 F544 L545	H353-L357 WeakPolarHBondContact O-CB 3.35Å; H353-L357 WeakPolarHBondContact O-CG 3.32Å; H353-L357 PolarHBondContact O-N 2.87Å; R354-L357 PolarHBondContact O-N 2.97Å; L357-Q359 VanDerWaalsContact C-N 3.3Å; L357-F544 WeakPolarHBondContact CD2-O 3.47Å; L357-L545 HydrophobicContact CD2-CB 3.69Å; L357-L545 HydrophobicContact CD2-CD1 4.42Å; L357-L545 HydrophobicContact CD2-CG 4.25Å
358	N	74.8	Confident	85	Confident	118 Å²	118	57.3 Å²	57.3	63%	0.631	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	8.9	179.2	-66.1	-34.3	0	0	0	113.5	R354 A355 L356 D360	R354-N358 VanDerWaalsContact O-CG 3.3Å; R354-N358 PolarHBondContact O-N 2.93Å; R354-N358 PolarHBondContact O-ND2 3.22Å; A355-N358 CarbonylContact O-C 3.39Å; A355-N358 WeakPolarHBondContact O-CA 3.49Å; A355-N358 PolarHBondContact O-N 3.3Å; A355-N358 VanDerWaalsContact O-N 3.11Å; L356-N358 PolarHBondContact O-N 3.08Å; N358-D360 VanDerWaalsContact C-N 3.29Å; N358-D360 PolarHBondContact O-N 2.95Å
359	Q	74.8	Confident	85.2	Confident	92 Å²	92	52.4 Å²	52.4	43%	0.43	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	37.2	-179.3	-56.1	179.2	-24.5	0	0	113.6	A355 L356 L357 P361 R546	A355-Q359 PolarHBondContact O-N 3.38Å; A355-Q359 VanDerWaalsContact O-N 3.16Å; L356-Q359 PolarHBondContact O-N 3.12Å; L356-Q359 VanDerWaalsContact O-N 3.08Å; L357-Q359 VanDerWaalsContact C-N 3.3Å; Q359-P361 WeakPolarHBondContact O-CD 3.47Å; Q359-R546 VanDerWaalsContact NE2-CZ 3.3Å
360	D	82.6	Confident	85.3	Confident	58 Å²	58	49.6 Å²	49.6	31%	0.31	25%	0.254	S	S	.	.			trans	-55.7	124.4	171	-179.6	-90.2	0	0	0	109.9	A355 N358 I362 V363 T364	A355-D360 HydrophobicContact CB-CB 3.77Å; A355-D360 WeakPolarHBondContact O-CB 3.35Å; A355-D360 PolarHBondContact O-N 3.34Å; N358-D360 VanDerWaalsContact C-N 3.29Å; N358-D360 PolarHBondContact O-N 2.95Å; D360-I362 VanDerWaalsContact C-N 3.28Å; D360-I362 PolarHBondContact O-N 2.79Å; D360-I362 WeakPolarHBondContact OD1-CA 3.5Å; D360-I362 WeakPolarHBondContact OD1-CB 3.23Å; D360-I362 PolarHBondContact OD1-N 3.22Å; D360-V363 HydrophobicContact CB-CB 4.45Å; D360-V363 HydrophobicContact CB-CG2 4.31Å; D360-V363 PolarHBondContact O-N 3.25Å; D360-V363 PolarHBondContact OD1-N 3.02Å; D360-T364 WeakPolarHBondContact O-CB 3.47Å; D360-T364 PolarHBondContact O-N 3.33Å; D360-T364 PolarHBondContact O-OG1 3.33Å
361	P	83.4	Confident	85.5	Confident	35 Å²	35	45.2 Å²	45.2	23%	0.227	23%	0.225	C	C	.	.	H	α-helix	trans	-61	-34.1	-174.7	-27.3	35.5	0	0	0	113.8	Q359 T365 N629	Q359-P361 WeakPolarHBondContact O-CD 3.47Å; P361-T365 WeakPolarHBondContact O-CB 3.46Å; P361-T365 PolarHBondContact O-N 3.24Å; P361-T365 PolarHBondContact O-OG1 3.48Å; P361-N629 WeakPolarHBondContact CG-ND2 3.38Å
362	I	88.8	Confident	85.7	Confident	93 Å²	93	44.4 Å²	44.4	48%	0.477	22%	0.221	S	C	.	.	H	α-helix	trans	-72.8	-51.7	-177.2	-61.1	173.3	0	0	0	109.1	D360 T364 T365 I366	D360-I362 VanDerWaalsContact C-N 3.28Å; D360-I362 PolarHBondContact O-N 2.79Å; D360-I362 WeakPolarHBondContact OD1-CA 3.5Å; D360-I362 WeakPolarHBondContact OD1-CB 3.23Å; D360-I362 PolarHBondContact OD1-N 3.22Å; I362-T364 VanDerWaalsContact C-N 3.32Å; I362-T364 PolarHBondContact O-N 3.37Å; I362-T365 WeakPolarHBondContact O-CB 3.39Å; I362-T365 PolarHBondContact O-N 3.34Å; I362-I366 HydrophobicContact CG2-CD1 4.26Å; I362-I366 WeakPolarHBondContact O-CG1 3.48Å; I362-I366 PolarHBondContact O-N 2.93Å
363	V	88.7	Confident	86.1	Confident	19 Å²	19	39.9 Å²	39.9	12%	0.115	20%	0.196	C	C	.	.	H	α-helix	trans	-66.7	-36.5	-178.9	-168.4	0	0	0	0	111.3	L351 D352 A355 L356 D360 I366 Y367	L351-V363 HydrophobicContact CB-CG1 4Å; L351-V363 HydrophobicContact CD2-CG1 4.05Å; L351-V363 HydrophobicContact CG-CG1 4.46Å; D352-V363 HydrophobicContact CB-CG2 4.47Å; A355-V363 HydrophobicContact CB-CB 4.33Å; A355-V363 HydrophobicContact CB-CG2 3.72Å; L356-V363 HydrophobicContact CB-CG1 4.18Å; L356-V363 HydrophobicContact CD1-CG1 4.09Å; D360-V363 HydrophobicContact CB-CB 4.45Å; D360-V363 HydrophobicContact CB-CG2 4.31Å; D360-V363 PolarHBondContact O-N 3.25Å; D360-V363 PolarHBondContact OD1-N 3.02Å; V363-I366 PolarHBondContact O-N 3Å; V363-Y367 PolarHBondContact O-N 3.22Å
364	T	86.2	Confident	87	Confident	13 Å²	13	36.3 Å²	36.3	8%	0.08	18%	0.18	C	C	.	.	H	α-helix	trans	-63.2	-42.2	174.7	-57.5	0	0	0	0	111.3	D360 I362 Y367 L368	D360-T364 WeakPolarHBondContact O-CB 3.47Å; D360-T364 PolarHBondContact O-N 3.33Å; D360-T364 PolarHBondContact O-OG1 3.33Å; I362-T364 VanDerWaalsContact C-N 3.32Å; I362-T364 PolarHBondContact O-N 3.37Å; T364-Y367 PolarHBondContact O-N 2.92Å; T364-L368 HydrophobicContact CG2-CD1 4.03Å; T364-L368 HydrophobicContact CG2-CG 4.4Å; T364-L368 WeakPolarHBondContact O-CG 3.3Å; T364-L368 PolarHBondContact O-N 3.28Å
365	T	90.8	Very high	87.8	Confident	4 Å²	4	27.2 Å²	27.2	3%	0.025	15%	0.146	C	C	.	.	H	α-helix	trans	-60	-46.5	175.1	-58.8	0	0	0	0	111.4	P361 I362 Y367 L368 H369 L630 Q633 L634 L637	P361-T365 WeakPolarHBondContact O-CB 3.46Å; P361-T365 PolarHBondContact O-N 3.24Å; P361-T365 PolarHBondContact O-OG1 3.48Å; I362-T365 WeakPolarHBondContact O-CB 3.39Å; I362-T365 PolarHBondContact O-N 3.34Å; T365-Y367 VanDerWaalsContact C-N 3.34Å; T365-Y367 PolarHBondContact O-N 3.29Å; T365-L368 PolarHBondContact O-N 2.91Å; T365-H369 WeakPolarHBondContact O-CB 3.39Å; T365-H369 PolarHBondContact O-N 2.73Å; T365-L630 WeakPolarHBondContact OG1-CD1 3.42Å; T365-Q633 HydrophobicContact CG2-CB 3.73Å; T365-Q633 WeakPolarHBondContact OG1-CB 3.04Å; T365-L634 HydrophobicContact CG2-CD2 4.02Å; T365-L634 HydrophobicContact CG2-CG 4.25Å; T365-L637 HydrophobicContact CG2-CD1 3.58Å; T365-L637 HydrophobicContact CG2-CG 4.36Å
366	I	93.3	Very high	88.3	Confident	40 Å²	40	26.6 Å²	26.6	21%	0.205	14%	0.14	C	C	.	.	H	α-helix	trans	-61.9	-43.7	179.6	-63.9	167.2	0	0	0	110.6	L351 I362 V363 H369 R370 D419	L351-I366 HydrophobicContact CD2-CB 4.19Å; L351-I366 HydrophobicContact CD2-CG2 3.71Å; I362-I366 HydrophobicContact CG2-CD1 4.26Å; I362-I366 WeakPolarHBondContact O-CG1 3.48Å; I362-I366 PolarHBondContact O-N 2.93Å; V363-I366 PolarHBondContact O-N 3Å; I366-H369 PolarHBondContact O-N 2.69Å; I366-R370 HydrophobicContact CG2-CG 4.47Å; I366-R370 VanDerWaalsContact O-CG 3.31Å; I366-R370 WeakPolarHBondContact O-CG 3.36Å; I366-R370 PolarHBondContact O-N 2.91Å; I366-D419 HydrophobicContact CG2-CB 3.92Å
367	Y	91.3	Very high	89	Confident	2 Å²	2	27 Å²	27	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-58.9	-51.6	175	155.8	-97.5	0	0	0	112.1	L342 V363 T364 T365 H369 R370 L371 C539 L543 F544	L342-Y367 HydrophobicContact CD2-CD2 4.26Å; L342-Y367 HydrophobicContact CD2-CE2 3.78Å; V363-Y367 PolarHBondContact O-N 3.22Å; T364-Y367 PolarHBondContact O-N 2.92Å; T365-Y367 VanDerWaalsContact C-N 3.34Å; T365-Y367 PolarHBondContact O-N 3.29Å; Y367-H369 VanDerWaalsContact C-N 3.28Å; Y367-H369 PolarHBondContact O-N 3.13Å; Y367-R370 PolarHBondContact O-N 3.03Å; Y367-L371 PolarHBondContact O-N 3.33Å; Y367-C539 HydrophobicContact CE2-CB 3.92Å; Y367-C539 WeakPolarHBondContact OH-CB 3.42Å; Y367-L543 HydrophobicContact CE2-CD1 4.45Å; Y367-F544 AromaticContact CD1-CE2 3.58Å; Y367-F544 HydrophobicContact CD1-CE2 3.58Å; Y367-F544 AromaticContact CD1-CZ 3.28Å; Y367-F544 HydrophobicContact CD1-CZ 3.28Å; Y367-F544 AromaticContact CD2-CE2 3.94Å; Y367-F544 HydrophobicContact CD2-CE2 3.94Å; Y367-F544 HydrophobicContact CD2-CZ 4.3Å; Y367-F544 AromaticContact CE1-CE2 3.39Å; Y367-F544 HydrophobicContact CE1-CE2 3.39Å; Y367-F544 AromaticContact CE1-CZ 3.46Å; Y367-F544 HydrophobicContact CE1-CZ 3.46Å; Y367-F544 VanDerWaalsContact CE1-CZ 3.46Å; Y367-F544 AromaticContact CE2-CE2 3.76Å; Y367-F544 HydrophobicContact CE2-CE2 3.76Å; Y367-F544 HydrophobicContact CE2-CZ 4.44Å; Y367-F544 AromaticContact CG-CE2 3.85Å; Y367-F544 HydrophobicContact CG-CE2 3.85Å; Y367-F544 AromaticContact CG-CZ 3.73Å; Y367-F544 HydrophobicContact CG-CZ 3.73Å; Y367-F544 AromaticContact CZ-CE2 3.5Å
368	L	91.4	Very high	90.1	Very high	10 Å²	10	24 Å²	24	5%	0.052	13%	0.127	C	C	.	.	H	α-helix	trans	-63.6	-39.6	-178.2	-69.5	173.2	0	0	0	110.4	T364 T365 L371 M372 I605 L630	T364-L368 HydrophobicContact CG2-CD1 4.03Å; T364-L368 HydrophobicContact CG2-CG 4.4Å; T364-L368 WeakPolarHBondContact O-CG 3.3Å; T364-L368 PolarHBondContact O-N 3.28Å; T365-L368 PolarHBondContact O-N 2.91Å; L368-L371 PolarHBondContact O-N 3.1Å; L368-M372 VanDerWaalsContact O-CG 3.28Å; L368-M372 WeakPolarHBondContact O-CG 3.45Å; L368-M372 PolarHBondContact O-N 3.46Å; L368-I605 HydrophobicContact CB-CD1 4.49Å; L368-I605 HydrophobicContact CD2-CG2 3.77Å; L368-L630 HydrophobicContact CD1-CD1 3.85Å; L368-L630 HydrophobicContact CD1-CD2 3.89Å; L368-L630 HydrophobicContact CD1-CG 4.49Å
369	H	93.9	Very high	91	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-58.3	-51.2	173.8	169.5	78.3	0	0	0	111.8	T365 I366 Y367 L371 M372 E373 L418 R421 L637 Y639	T365-H369 WeakPolarHBondContact O-CB 3.39Å; T365-H369 PolarHBondContact O-N 2.73Å; I366-H369 PolarHBondContact O-N 2.69Å; Y367-H369 VanDerWaalsContact C-N 3.28Å; Y367-H369 PolarHBondContact O-N 3.13Å; H369-L371 VanDerWaalsContact C-N 3.29Å; H369-L371 PolarHBondContact O-N 3.35Å; H369-M372 PolarHBondContact O-N 3.27Å; H369-E373 VanDerWaalsContact CE1-CG 3.46Å; H369-E373 WeakPolarHBondContact CE1-CG 3.49Å; H369-E373 WeakPolarHBondContact O-CG 3.47Å; H369-E373 PolarHBondContact O-N 2.84Å; H369-L418 PolarHBondContact NE2-O 3.02Å; H369-R421 PolarHBondContact CE1-O 3.01Å; H369-L637 HydrophobicContact CB-CD1 3.54Å; H369-Y639 HydrophobicContact CB-CE2 4.4Å; H369-Y639 AromaticContact ND1-CE2 3.53Å; H369-Y639 AromaticContact ND1-CZ 3.84Å; H369-Y639 PolarHBondContact ND1-OH 2.94Å
370	R	95.1	Very high	91.9	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.015	8%	0.081	C	C	.	.	H	α-helix	trans	-56.8	-44.5	175.9	-73.4	172	176.9	-169.5	3.8	111.2	L342 K345 D346 T349 I366 Y367 M372 L374 V417 D419	L342-R370 HydrophobicContact CD1-CB 3.78Å; K345-R370 HydrophobicContact CG-CG 4.22Å; D346-R370 IonicContact OD1-NH1 3.32Å; T349-R370 PolarHBondContact O-NH1 3.42Å; T349-R370 PolarHBondContact O-NH2 2.91Å; I366-R370 HydrophobicContact CG2-CG 4.47Å; I366-R370 VanDerWaalsContact O-CG 3.31Å; I366-R370 WeakPolarHBondContact O-CG 3.36Å; I366-R370 PolarHBondContact O-N 2.91Å; Y367-R370 PolarHBondContact O-N 3.03Å; R370-M372 PolarHBondContact O-N 3.14Å; R370-L374 VanDerWaalsContact O-CB 3.23Å; R370-L374 WeakPolarHBondContact O-CB 3.39Å; R370-L374 WeakPolarHBondContact O-CG 3.46Å; R370-L374 PolarHBondContact O-N 2.95Å; R370-V417 HydrophobicContact CG-CG1 4.33Å; R370-D419 WeakPolarHBondContact CG-OD1 3.11Å; R370-D419 IonicContact CZ-OD1 2.59Å; R370-D419 IonicContact CZ-OD2 3.29Å; R370-D419 IonicContact NE-OD1 3.13Å; R370-D419 PolarHBondContact NE-OD1 2.87Å; R370-D419 IonicContact NE-OD2 3.49Å; R370-D419 IonicContact NH2-OD1 3.22Å; R370-D419 PolarHBondContact NH2-OD1 3.37Å; R370-D419 IonicContact NH2-OD2 3.45Å; R370-D419 PolarHBondContact NH2-OD2 3.32Å
371	L	94.2	Very high	92.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61	-44.6	179	-174.3	71.6	0	0	0	111.7	L338 L342 Y367 L368 H369 A375 Q536	L338-L371 HydrophobicContact CD1-CD1 3.75Å; L338-L371 WeakPolarHBondContact CD1-O 3.43Å; L338-L371 HydrophobicContact CD2-CD1 4.2Å; L338-L371 HydrophobicContact CG-CD1 4.01Å; L342-L371 HydrophobicContact CD2-CD1 4.05Å; Y367-L371 PolarHBondContact O-N 3.33Å; L368-L371 PolarHBondContact O-N 3.1Å; H369-L371 VanDerWaalsContact C-N 3.29Å; H369-L371 PolarHBondContact O-N 3.35Å; L371-A375 VanDerWaalsContact O-CB 3.24Å; L371-A375 WeakPolarHBondContact O-CB 3.13Å; L371-A375 PolarHBondContact O-N 3.33Å; L371-Q536 HydrophobicContact CD2-CB 4.47Å; L371-Q536 HydrophobicContact CD2-CG 3.37Å
372	M	93	Very high	93.1	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-68.8	-42.4	180	-66.3	-56.1	90.5	0	0	112.8	L368 H369 R370 A375 R376 T532 I605 P607 I617	L368-M372 VanDerWaalsContact O-CG 3.28Å; L368-M372 WeakPolarHBondContact O-CG 3.45Å; L368-M372 PolarHBondContact O-N 3.46Å; H369-M372 PolarHBondContact O-N 3.27Å; R370-M372 PolarHBondContact O-N 3.14Å; M372-A375 PolarHBondContact O-N 3.43Å; M372-R376 WeakPolarHBondContact O-CG 3.45Å; M372-R376 PolarHBondContact O-N 3.43Å; M372-R376 VanDerWaalsContact O-N 3.14Å; M372-T532 HydrophobicContact CE-CG2 3.95Å; M372-I605 HydrophobicContact CE-CG2 3.64Å; M372-I605 HydrophobicContact CG-CD1 3.64Å; M372-I605 HydrophobicContact CG-CG1 3.92Å; M372-I605 HydrophobicContact CG-CG2 4.25Å; M372-I605 HydrophobicContact SD-CB 4.15Å; M372-I605 HydrophobicContact SD-CD1 4.08Å; M372-I605 HydrophobicContact SD-CG1 3.64Å; M372-I605 HydrophobicContact SD-CG2 3.75Å; M372-P607 HydrophobicContact SD-CB 4.42Å; M372-P607 WeakPolarHBondContact SD-CD 3.43Å; M372-P607 HydrophobicContact SD-CG 4.38Å; M372-I617 HydrophobicContact CG-CG2 4.42Å
373	E	94.5	Very high	93.4	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-65.2	-43.1	176.7	-70.2	-68.2	88.9	0	0	111.3	H369 A375 R376 L377 V417 V423 H426	H369-E373 VanDerWaalsContact CE1-CG 3.46Å; H369-E373 WeakPolarHBondContact CE1-CG 3.49Å; H369-E373 WeakPolarHBondContact O-CG 3.47Å; H369-E373 PolarHBondContact O-N 2.84Å; E373-A375 VanDerWaalsContact C-N 3.32Å; E373-A375 PolarHBondContact O-N 3.19Å; E373-R376 PolarHBondContact O-N 3.33Å; E373-R376 IonicContact OE1-CZ 2.87Å; E373-R376 IonicContact OE1-NH1 3.75Å; E373-R376 PolarHBondContact OE1-NH1 3.43Å; E373-L377 WeakPolarHBondContact O-CG 3.47Å; E373-L377 PolarHBondContact O-N 3.37Å; E373-L377 VanDerWaalsContact O-N 3.14Å; E373-V417 HydrophobicContact CB-CG1 3.89Å; E373-V417 HydrophobicContact CB-CG2 3.96Å; E373-V417 HydrophobicContact CG-CG1 4.33Å; E373-V423 PolarHBondContact OE2-N 3.43Å; E373-V423 VanDerWaalsContact OE2-N 3.1Å; E373-H426 IonicContact OE2-CE1 3.87Å; E373-H426 IonicContact OE2-CG 2.82Å; E373-H426 IonicContact OE2-ND1 3.64Å; E373-H426 PolarHBondContact OE2-ND1 3.45Å
374	L	96.4	Very high	93.7	Very high	1 Å²	1	9 Å²	9	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-68.3	-30.9	176.5	-70	172.4	0	0	0	112.4	L338 N341 L342 R370 L377 A378 T413 V417	L338-L374 HydrophobicContact CD1-CB 3.72Å; N341-L374 HydrophobicContact CB-CD1 4.28Å; N341-L374 HydrophobicContact CB-CD2 3.9Å; L342-L374 HydrophobicContact CB-CD1 3.91Å; L342-L374 HydrophobicContact CD1-CD1 4.01Å; R370-L374 VanDerWaalsContact O-CB 3.23Å; R370-L374 WeakPolarHBondContact O-CB 3.39Å; R370-L374 WeakPolarHBondContact O-CG 3.46Å; R370-L374 PolarHBondContact O-N 2.95Å; L374-L377 HydrophobicContact CD2-CD1 4.45Å; L374-L377 PolarHBondContact O-N 3.42Å; L374-A378 VanDerWaalsContact O-CB 3.22Å; L374-A378 WeakPolarHBondContact O-CB 3.47Å; L374-A378 PolarHBondContact O-N 3.29Å; L374-T413 HydrophobicContact CD2-CG2 4.16Å; L374-V417 HydrophobicContact CD2-CG2 3.87Å; L374-V417 HydrophobicContact CG-CG2 4.2Å
375	A	94.8	Very high	94.2	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-63.9	-46.3	174.1	0	0	0	0	0	111	Y334 L338 L371 M372 E373 L377 A378 E379 P607	Y334-A375 WeakPolarHBondContact CE2-O 3.16Å; Y334-A375 WeakPolarHBondContact OH-CB 3.16Å; L338-A375 HydrophobicContact CD1-CB 4.07Å; L338-A375 HydrophobicContact CD2-CB 4.19Å; L371-A375 VanDerWaalsContact O-CB 3.24Å; L371-A375 WeakPolarHBondContact O-CB 3.13Å; L371-A375 PolarHBondContact O-N 3.33Å; M372-A375 PolarHBondContact O-N 3.43Å; E373-A375 VanDerWaalsContact C-N 3.32Å; E373-A375 PolarHBondContact O-N 3.19Å; A375-L377 VanDerWaalsContact C-N 3.32Å; A375-L377 PolarHBondContact O-N 2.98Å; A375-A378 PolarHBondContact O-N 2.96Å; A375-E379 PolarHBondContact O-N 2.99Å; A375-P607 HydrophobicContact CB-CG 4.04Å
376	R	92.9	Very high	94.5	Very high	2 Å²	2	8.2 Å²	8.2	1%	0.008	5%	0.049	C	C	.	.	H	α-helix	trans	-56.2	-47.1	174.1	-66.6	-179.5	177.8	103.5	8.9	111.8	M372 E373 E379 A380 P607 Y609 S616	M372-R376 WeakPolarHBondContact O-CG 3.45Å; M372-R376 PolarHBondContact O-N 3.43Å; M372-R376 VanDerWaalsContact O-N 3.14Å; E373-R376 PolarHBondContact O-N 3.33Å; E373-R376 IonicContact OE1-CZ 2.87Å; E373-R376 IonicContact OE1-NH1 3.75Å; E373-R376 PolarHBondContact OE1-NH1 3.43Å; R376-E379 PolarHBondContact O-N 3Å; R376-A380 WeakPolarHBondContact O-CB 3.48Å; R376-A380 PolarHBondContact O-N 3.28Å; R376-P607 HydrophobicContact CG-CB 3.79Å; R376-P607 HydrophobicContact CG-CG 4.38Å; R376-Y609 WeakPolarHBondContact CA-OH 3.45Å; R376-Y609 HydrophobicContact CB-CE1 4.28Å; R376-Y609 HydrophobicContact CG-CE1 3.85Å; R376-S616 PolarHBondContact NH2-O 3.4Å
377	L	95.3	Very high	94.7	Very high	11 Å²	11	6.5 Å²	6.5	6%	0.058	4%	0.04	C	C	.	.	H	α-helix	trans	-68.4	-37.8	-179.2	-69.8	164.7	0	0	0	112.8	E373 L374 A375 S381 T413 V417 Q429	E373-L377 WeakPolarHBondContact O-CG 3.47Å; E373-L377 PolarHBondContact O-N 3.37Å; E373-L377 VanDerWaalsContact O-N 3.14Å; L374-L377 HydrophobicContact CD2-CD1 4.45Å; L374-L377 PolarHBondContact O-N 3.42Å; A375-L377 VanDerWaalsContact C-N 3.32Å; A375-L377 PolarHBondContact O-N 2.98Å; L377-S381 WeakPolarHBondContact O-CB 3.43Å; L377-S381 PolarHBondContact O-N 2.81Å; L377-S381 PolarHBondContact O-OG 3.23Å; L377-T413 HydrophobicContact CB-CG2 3.88Å; L377-T413 HydrophobicContact CD1-CG2 3.73Å; L377-T413 HydrophobicContact CG-CG2 4.27Å; L377-V417 HydrophobicContact CD1-CG2 3.7Å; L377-Q429 VanDerWaalsContact CD2-NE2 3.35Å
378	A	96.5	Very high	95	Very high	2 Å²	2	7.7 Å²	7.7	2%	0.017	5%	0.047	C	C	.	.	H	α-helix	trans	-65.4	-43.7	175.5	0	0	0	0	0	110.8	Y334 L337 L338 L374 A375 S381 V382	Y334-A378 HydrophobicContact CD2-CB 3.72Å; Y334-A378 HydrophobicContact CE2-CB 3.88Å; L337-A378 HydrophobicContact CB-CB 4.26Å; L338-A378 HydrophobicContact CB-CB 4.3Å; L374-A378 VanDerWaalsContact O-CB 3.22Å; L374-A378 WeakPolarHBondContact O-CB 3.47Å; L374-A378 PolarHBondContact O-N 3.29Å; A375-A378 PolarHBondContact O-N 2.96Å; A378-S381 WeakPolarHBondContact O-CB 3.49Å; A378-S381 PolarHBondContact O-N 3.04Å; A378-V382 WeakPolarHBondContact O-CG1 3.39Å; A378-V382 PolarHBondContact O-N 3.23Å
379	E	93.6	Very high	95.2	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-60.4	-50	176.2	-179.1	165	170.3	0	0	111.5	Y334 A375 R376 S381 V382 T383 V431 L432 T435 L528 Y609	Y334-E379 HydrophobicContact CD2-CB 4.31Å; Y334-E379 HydrophobicContact CE2-CB 4.04Å; A375-E379 PolarHBondContact O-N 2.99Å; R376-E379 PolarHBondContact O-N 3Å; E379-S381 VanDerWaalsContact C-N 3.25Å; E379-S381 PolarHBondContact O-N 2.91Å; E379-V382 WeakPolarHBondContact O-CG2 3.3Å; E379-V382 PolarHBondContact O-N 3.14Å; E379-V382 VanDerWaalsContact O-N 3.1Å; E379-T383 VanDerWaalsContact O-CG2 3.31Å; E379-T383 WeakPolarHBondContact O-CG2 3.44Å; E379-T383 PolarHBondContact O-N 3.01Å; E379-T383 VanDerWaalsContact O-N 3.16Å; E379-V431 WeakPolarHBondContact OE1-CB 3.38Å; E379-L432 PolarHBondContact OE1-N 3.25Å; E379-T435 VanDerWaalsContact OE1-CB 3.31Å; E379-T435 WeakPolarHBondContact OE1-CB 3.2Å; E379-T435 WeakPolarHBondContact OE1-CG2 3.38Å; E379-T435 PolarHBondContact OE1-OG1 2.96Å; E379-L528 HydrophobicContact CB-CD1 4.13Å; E379-L528 HydrophobicContact CG-CD1 3.67Å; E379-Y609 WeakPolarHBondContact OE2-CE2 3.48Å; E379-Y609 PolarHBondContact OE2-OH 3.32Å
380	A	93.2	Very high	95.4	Very high	11 Å²	11	10.5 Å²	10.5	9%	0.091	7%	0.067	C	C	.	.	H	α-helix	trans	-57.3	-40.8	177.6	0	0	0	0	0	112.7	R376 V382 T383 Q429 D430	R376-A380 WeakPolarHBondContact O-CB 3.48Å; R376-A380 PolarHBondContact O-N 3.28Å; A380-V382 PolarHBondContact O-N 3.49Å; A380-T383 PolarHBondContact O-N 3.46Å; A380-T383 PolarHBondContact O-OG1 2.91Å; A380-Q429 HydrophobicContact CB-CB 3.58Å; A380-Q429 HydrophobicContact CB-CG 4.31Å; A380-D430 VanDerWaalsContact CA-O 3.29Å; A380-D430 WeakPolarHBondContact CA-O 3.23Å
381	S	95.5	Very high	95.4	Very high	30 Å²	30	16 Å²	16	21%	0.21	10%	0.103	C	C	.	.	H	α-helix	trans	-60.6	-45.8	176.5	-61.9	0	0	0	0	111.4	L377 A378 E379 T383 T384	L377-S381 WeakPolarHBondContact O-CB 3.43Å; L377-S381 PolarHBondContact O-N 2.81Å; L377-S381 PolarHBondContact O-OG 3.23Å; A378-S381 WeakPolarHBondContact O-CB 3.49Å; A378-S381 PolarHBondContact O-N 3.04Å; E379-S381 VanDerWaalsContact C-N 3.25Å; E379-S381 PolarHBondContact O-N 2.91Å; S381-T383 VanDerWaalsContact C-N 3.28Å; S381-T383 PolarHBondContact O-N 2.77Å; S381-T384 WeakPolarHBondContact O-CB 3.45Å; S381-T384 PolarHBondContact O-N 2.75Å; S381-T384 PolarHBondContact O-OG1 2.67Å
382	V	95.8	Very high	95.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-72.2	-20.1	-177.2	-57.2	0	0	0	0	113.9	V330 P333 A378 E379 A380 T384 L385 L432	V330-V382 HydrophobicContact CB-CB 3.96Å; V330-V382 HydrophobicContact CB-CG2 4.17Å; V330-V382 HydrophobicContact CG1-CB 4.33Å; V330-V382 HydrophobicContact CG2-CG2 4.41Å; P333-V382 HydrophobicContact CB-CG1 3.77Å; A378-V382 WeakPolarHBondContact O-CG1 3.39Å; A378-V382 PolarHBondContact O-N 3.23Å; E379-V382 WeakPolarHBondContact O-CG2 3.3Å; E379-V382 PolarHBondContact O-N 3.14Å; E379-V382 VanDerWaalsContact O-N 3.1Å; A380-V382 PolarHBondContact O-N 3.49Å; V382-T384 PolarHBondContact O-N 2.59Å; V382-T384 VanDerWaalsContact O-N 3.13Å; V382-L385 HydrophobicContact CB-CD1 3.97Å; V382-L385 HydrophobicContact CG1-CD1 4.05Å; V382-L385 WeakPolarHBondContact O-CB 3.26Å; V382-L385 PolarHBondContact O-N 2.87Å; V382-L432 HydrophobicContact CG2-CD1 4.32Å
383	T	94.2	Very high	95.7	Very high	12 Å²	12	22.3 Å²	22.3	7%	0.074	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.8	171.7	73.5	0	0	0	0	113.1	E379 A380 S381 L385 D430 L432 K490	E379-T383 VanDerWaalsContact O-CG2 3.31Å; E379-T383 WeakPolarHBondContact O-CG2 3.44Å; E379-T383 PolarHBondContact O-N 3.01Å; E379-T383 VanDerWaalsContact O-N 3.16Å; A380-T383 PolarHBondContact O-N 3.46Å; A380-T383 PolarHBondContact O-OG1 2.91Å; S381-T383 VanDerWaalsContact C-N 3.28Å; S381-T383 PolarHBondContact O-N 2.77Å; T383-L385 VanDerWaalsContact C-N 3.33Å; T383-D430 HydrophobicContact CG2-CB 4.23Å; T383-L432 HydrophobicContact CG2-CD2 4.03Å; T383-L432 HydrophobicContact CG2-CG 4.34Å; T383-K490 WeakPolarHBondContact O-CD 3.31Å; T383-K490 PolarHBondContact OG1-NZ 2.97Å
384	T	95.4	Very high	95.8	Very high	46 Å²	46	25.5 Å²	25.5	28%	0.282	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-11.3	-179.3	71.3	0	0	0	0	114	S381 V382 K490	S381-T384 WeakPolarHBondContact O-CB 3.45Å; S381-T384 PolarHBondContact O-N 2.75Å; S381-T384 PolarHBondContact O-OG1 2.67Å; V382-T384 PolarHBondContact O-N 2.59Å; V382-T384 VanDerWaalsContact O-N 3.13Å; T384-K490 HydrophobicContact CG2-CD 4.36Å
385	L	97.3	Very high	95.9	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	19%	0.192	C	C	.	.			trans	-79.6	169.6	-172.8	-58.9	176.7	0	0	0	112.2	P327 V330 P333 V382 T383 A400 L401 I404 L501	P327-L385 HydrophobicContact CB-CB 4.29Å; P327-L385 HydrophobicContact CG-CB 3.95Å; P327-L385 HydrophobicContact CG-CD1 3.57Å; P327-L385 HydrophobicContact CG-CD2 4.4Å; P327-L385 HydrophobicContact CG-CG 4.17Å; V330-L385 HydrophobicContact CG1-CB 4.24Å; V330-L385 HydrophobicContact CG1-CD1 4.17Å; P333-L385 HydrophobicContact CB-CD1 3.9Å; P333-L385 HydrophobicContact CG-CD1 3.99Å; V382-L385 HydrophobicContact CB-CD1 3.97Å; V382-L385 HydrophobicContact CG1-CD1 4.05Å; V382-L385 WeakPolarHBondContact O-CB 3.26Å; V382-L385 PolarHBondContact O-N 2.87Å; T383-L385 VanDerWaalsContact C-N 3.33Å; L385-A400 HydrophobicContact CD2-CB 4.03Å; L385-L401 HydrophobicContact CD1-CD1 4.44Å; L385-L401 HydrophobicContact CD2-CB 4.15Å; L385-L401 HydrophobicContact CD2-CD1 4.34Å; L385-I404 HydrophobicContact CD1-CD1 3.74Å; L385-I404 HydrophobicContact CD2-CD1 3.76Å; L385-I404 HydrophobicContact CG-CD1 4.05Å; L385-L501 HydrophobicContact CB-CD2 4.33Å
386	G	96.8	Very high	96.1	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.01	21%	0.21	C	C	.	.			trans	-145.2	174.4	178.8	0	0	0	0	0	111.5	P327 L388	P327-G386 WeakPolarHBondContact CB-O 3.06Å; G386-L388 PolarHBondContact O-N 2.91Å
387	D	97.7	Very high	96.3	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	21%	0.21	C	C	.	.			trans	-67	113.7	174.3	-171.5	-9.4	0	0	0	110.3	P328 S389 D390 R498 R499	P328-D387 HydrophobicContact CB-CB 4.43Å; D387-S389 PolarHBondContact O-N 2.89Å; D387-S389 PolarHBondContact OD1-N 2.65Å; D387-D390 HydrophobicContact CB-CB 4.16Å; D387-D390 PolarHBondContact O-N 3Å; D387-R498 HydrophobicContact CB-CG 4.01Å; D387-R499 IonicContact OD1-CZ 2.72Å; D387-R499 IonicContact OD1-NE 3.11Å; D387-R499 PolarHBondContact OD1-NE 3.31Å; D387-R499 IonicContact OD1-NH2 2.75Å; D387-R499 PolarHBondContact OD1-NH2 3.44Å; D387-R499 VanDerWaalsContact OD2-CB 3.28Å; D387-R499 WeakPolarHBondContact OD2-CB 3.49Å; D387-R499 WeakPolarHBondContact OD2-CG 3.39Å; D387-R499 IonicContact OD2-CZ 2.86Å; D387-R499 PolarHBondContact OD2-N 2.99Å; D387-R499 IonicContact OD2-NE 3.89Å; D387-R499 PolarHBondContact OD2-NE 3.39Å; D387-R499 IonicContact OD2-NH2 2.93Å
388	L	97.8	Very high	96.5	Very high	28 Å²	28	34.5 Å²	34.5	15%	0.147	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-23.2	178.8	-69.2	176.8	0	0	0	112.6	P326 P327 G386 N394 A397 L401	P326-L388 HydrophobicContact CB-CD1 3.75Å; P326-L388 HydrophobicContact CG-CD1 4.32Å; P327-L388 HydrophobicContact CB-CG 4.31Å; G386-L388 PolarHBondContact O-N 2.91Å; L388-N394 PolarHBondContact O-ND2 2.86Å; L388-A397 HydrophobicContact CD2-CB 3.82Å; L388-L401 HydrophobicContact CD1-CD2 4.06Å
389	S	95.8	Very high	96.5	Very high	58 Å²	58	38.1 Å²	38.1	41%	0.406	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-2.1	-176.4	-49.4	0	0	0	0	112.6	D308 D387 P391 R499	D308-S389 PolarHBondContact OD2-OG 2.97Å; D387-S389 PolarHBondContact O-N 2.89Å; D387-S389 PolarHBondContact OD1-N 2.65Å; S389-P391 VanDerWaalsContact O-CD 3.31Å; S389-P391 WeakPolarHBondContact O-CD 3.31Å; S389-R499 PolarHBondContact OG-NH2 3.13Å
390	D	96.5	Very high	96.8	Very high	11 Å²	11	38.9 Å²	38.9	6%	0.059	25%	0.251	C	S	.	.			trans	-79.9	114.3	170.6	179.4	-11.3	0	0	0	110.6	D387 T392 I393 N394 R498	D387-D390 HydrophobicContact CB-CB 4.16Å; D387-D390 PolarHBondContact O-N 3Å; D390-T392 PolarHBondContact O-N 3.46Å; D390-T392 VanDerWaalsContact O-N 3.11Å; D390-T392 WeakPolarHBondContact OD1-CB 3.41Å; D390-T392 WeakPolarHBondContact OD1-CG2 3.32Å; D390-T392 PolarHBondContact OD1-N 3.23Å; D390-T392 PolarHBondContact OD1-OG1 2.91Å; D390-T392 PolarHBondContact OD2-OG1 3.31Å; D390-I393 HydrophobicContact CB-CD1 4.46Å; D390-I393 HydrophobicContact CB-CG1 3.84Å; D390-I393 PolarHBondContact O-N 3.28Å; D390-N394 WeakPolarHBondContact O-CA 3.12Å; D390-N394 VanDerWaalsContact O-CB 3.3Å; D390-N394 WeakPolarHBondContact O-CB 3.17Å; D390-N394 PolarHBondContact O-N 3.32Å; D390-R498 HydrophobicContact CB-CG 4.48Å; D390-R498 IonicContact OD2-CZ 3.53Å; D390-R498 IonicContact OD2-NE 3.76Å; D390-R498 PolarHBondContact OD2-NE 3.14Å; D390-R498 IonicContact OD2-NH2 3.39Å; D390-R498 PolarHBondContact OD2-NH2 3.1Å
391	P	96	Very high	97	Very high	119 Å²	119	39.2 Å²	39.2	77%	0.773	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.5	-179.4	-22.5	34.3	0	0	0	114.5	S389	S389-P391 VanDerWaalsContact O-CD 3.31Å; S389-P391 WeakPolarHBondContact O-CD 3.31Å
392	T	96.6	Very high	97.1	Very high	109 Å²	109	43.1 Å²	43.1	67%	0.669	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-23.9	-176.2	68	0	0	0	0	113.3	D390 R498	D390-T392 PolarHBondContact O-N 3.46Å; D390-T392 VanDerWaalsContact O-N 3.11Å; D390-T392 WeakPolarHBondContact OD1-CB 3.41Å; D390-T392 WeakPolarHBondContact OD1-CG2 3.32Å; D390-T392 PolarHBondContact OD1-N 3.23Å; D390-T392 PolarHBondContact OD1-OG1 2.91Å; D390-T392 PolarHBondContact OD2-OG1 3.31Å; T392-R498 PolarHBondContact OG1-NH2 3.33Å
393	I	96.9	Very high	97.2	Very high	23 Å²	23	46.4 Å²	46.4	12%	0.118	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-1.1	-179.1	60.9	162.8	0	0	0	113.7	D390 V395 A396 A397 L491 R498	D390-I393 HydrophobicContact CB-CD1 4.46Å; D390-I393 HydrophobicContact CB-CG1 3.84Å; D390-I393 PolarHBondContact O-N 3.28Å; I393-V395 VanDerWaalsContact C-N 3.26Å; I393-V395 PolarHBondContact O-N 3.46Å; I393-V395 VanDerWaalsContact O-N 3.12Å; I393-A396 PolarHBondContact O-N 3.38Å; I393-A397 WeakPolarHBondContact O-CB 3.42Å; I393-A397 PolarHBondContact O-N 3.43Å; I393-L491 HydrophobicContact CD1-CB 4.35Å; I393-R498 VanDerWaalsContact CG2-NH2 3.34Å
394	N	97.3	Very high	97.4	Very high	67 Å²	67	46.8 Å²	46.8	36%	0.358	29%	0.294	S	S	.	.	H	α-helix	trans	-47.3	-45.3	-176	169.5	-82.4	0	0	0	113.3	L388 D390 A397 S398	L388-N394 PolarHBondContact O-ND2 2.86Å; D390-N394 WeakPolarHBondContact O-CA 3.12Å; D390-N394 VanDerWaalsContact O-CB 3.3Å; D390-N394 WeakPolarHBondContact O-CB 3.17Å; D390-N394 PolarHBondContact O-N 3.32Å; N394-A397 PolarHBondContact O-N 2.99Å; N394-S398 VanDerWaalsContact O-CB 3.27Å; N394-S398 WeakPolarHBondContact O-CB 3.31Å; N394-S398 PolarHBondContact O-N 3.27Å; N394-S398 PolarHBondContact O-OG 2.99Å
395	V	98.3	Very high	97.5	Very high	120 Å²	120	46.5 Å²	46.5	73%	0.727	29%	0.289	S	S	*	.	H	α-helix	trans	-63.5	-46.7	-179.8	177.1	0	0	0	0	111.2	I393 S399	I393-V395 VanDerWaalsContact C-N 3.26Å; I393-V395 PolarHBondContact O-N 3.46Å; I393-V395 VanDerWaalsContact O-N 3.12Å; V395-S399 WeakPolarHBondContact O-CB 3.47Å; V395-S399 PolarHBondContact O-N 3.39Å
396	A	98.2	Very high	97.5	Very high	46 Å²	46	48.1 Å²	48.1	38%	0.38	30%	0.3	S	S	.	.	H	α-helix	trans	-67.6	-40.9	178.9	0	0	0	0	0	111.8	I393 S399 A400 L491	I393-A396 PolarHBondContact O-N 3.38Å; A396-S399 PolarHBondContact O-N 2.84Å; A396-A400 WeakPolarHBondContact O-CB 3.33Å; A396-A400 PolarHBondContact O-N 3.03Å; A396-L491 HydrophobicContact CB-CD1 4.14Å; A396-L491 HydrophobicContact CB-CD2 3.94Å
397	A	97.9	Very high	97.5	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.008	33%	0.331	C	S	.	.	H	α-helix	trans	-66.5	-41.1	178.5	0	0	0	0	0	111.9	L388 I393 N394 A400 L401 L491	L388-A397 HydrophobicContact CD2-CB 3.82Å; I393-A397 WeakPolarHBondContact O-CB 3.42Å; I393-A397 PolarHBondContact O-N 3.43Å; N394-A397 PolarHBondContact O-N 2.99Å; A397-A400 PolarHBondContact O-N 3.31Å; A397-L401 PolarHBondContact O-N 3.48Å; A397-L491 HydrophobicContact CB-CD1 4.23Å
398	S	98.3	Very high	97.5	Very high	37 Å²	37	59 Å²	59	26%	0.259	36%	0.358	S	S	.	.	H	α-helix	trans	-65	-46.2	175	-56.8	0	0	0	0	110.9	N394 A400 L401 D402	N394-S398 VanDerWaalsContact O-CB 3.27Å; N394-S398 WeakPolarHBondContact O-CB 3.31Å; N394-S398 PolarHBondContact O-N 3.27Å; N394-S398 PolarHBondContact O-OG 2.99Å; S398-A400 VanDerWaalsContact C-N 3.29Å; S398-A400 PolarHBondContact O-N 2.83Å; S398-L401 PolarHBondContact O-N 3.01Å; S398-D402 PolarHBondContact O-N 3Å
399	S	98.5	Very high	97.4	Very high	77 Å²	77	59 Å²	59	54%	0.538	36%	0.362	S	S	.	.	H	α-helix	trans	-60.7	-37.7	176	-176.1	0	0	0	0	112.6	V395 A396 S403	V395-S399 WeakPolarHBondContact O-CB 3.47Å; V395-S399 PolarHBondContact O-N 3.39Å; A396-S399 PolarHBondContact O-N 2.84Å; S399-S403 VanDerWaalsContact O-CB 3.26Å; S399-S403 WeakPolarHBondContact O-CB 3.43Å; S399-S403 PolarHBondContact O-N 3.26Å
400	A	98	Very high	97.5	Very high	17 Å²	17	58.5 Å²	58.5	14%	0.14	35%	0.351	C	S	.	.	H	α-helix	trans	-66.2	-44	176.3	0	0	0	0	0	111.4	L385 A396 A397 S398 S403 I404 L491	L385-A400 HydrophobicContact CD2-CB 4.03Å; A396-A400 WeakPolarHBondContact O-CB 3.33Å; A396-A400 PolarHBondContact O-N 3.03Å; A397-A400 PolarHBondContact O-N 3.31Å; S398-A400 VanDerWaalsContact C-N 3.29Å; S398-A400 PolarHBondContact O-N 2.83Å; A400-S403 PolarHBondContact O-N 2.81Å; A400-I404 PolarHBondContact O-N 3.41Å; A400-I404 VanDerWaalsContact O-N 3.15Å; A400-L491 HydrophobicContact CB-CD1 4.3Å
401	L	98.2	Very high	97.6	Very high	18 Å²	18	61.6 Å²	61.6	9%	0.094	37%	0.365	C	S	.	.	H	α-helix	trans	-61.7	-48.7	176.1	-176.8	65.5	0	0	0	111.6	P327 P333 L385 L388 A397 S398 S403 I404 F405	P327-L401 HydrophobicContact CG-CD1 4.22Å; P333-L401 HydrophobicContact CG-CD1 4.25Å; L385-L401 HydrophobicContact CD1-CD1 4.44Å; L385-L401 HydrophobicContact CD2-CB 4.15Å; L385-L401 HydrophobicContact CD2-CD1 4.34Å; L388-L401 HydrophobicContact CD1-CD2 4.06Å; A397-L401 PolarHBondContact O-N 3.48Å; S398-L401 PolarHBondContact O-N 3.01Å; L401-S403 VanDerWaalsContact C-N 3.27Å; L401-S403 PolarHBondContact O-N 3.24Å; L401-I404 WeakPolarHBondContact O-CG1 3.26Å; L401-I404 PolarHBondContact O-N 2.98Å; L401-F405 HydrophobicContact CD1-CD2 3.65Å; L401-F405 HydrophobicContact CD1-CE2 3.5Å; L401-F405 HydrophobicContact CG-CD2 4.27Å; L401-F405 WeakPolarHBondContact O-CD2 3.36Å; L401-F405 PolarHBondContact O-N 3.24Å; L401-F405 VanDerWaalsContact O-N 3.11Å
402	D	98.3	Very high	97.6	Very high	111 Å²	111	58.9 Å²	58.9	59%	0.594	35%	0.353	S	S	*	.	H	α-helix	trans	-60.7	-39.2	178.5	-71.7	-20.4	0	0	0	111.5	S398 F405 S406	S398-D402 PolarHBondContact O-N 3Å; D402-F405 PolarHBondContact O-N 2.66Å; D402-S406 WeakPolarHBondContact O-CB 3.08Å; D402-S406 PolarHBondContact O-N 2.79Å
403	S	98.1	Very high	97.6	Very high	69 Å²	69	55.1 Å²	55.1	48%	0.483	33%	0.33	S	S	.	.	H	α-helix	trans	-60.6	-50.6	178.2	-176.3	0	0	0	0	111.9	S399 A400 L401 F405 S406 A409	S399-S403 VanDerWaalsContact O-CB 3.26Å; S399-S403 WeakPolarHBondContact O-CB 3.43Å; S399-S403 PolarHBondContact O-N 3.26Å; A400-S403 PolarHBondContact O-N 2.81Å; L401-S403 VanDerWaalsContact C-N 3.27Å; L401-S403 PolarHBondContact O-N 3.24Å; S403-F405 VanDerWaalsContact C-N 3.32Å; S403-F405 PolarHBondContact O-N 3.24Å; S403-S406 WeakPolarHBondContact O-CB 3.39Å; S403-S406 PolarHBondContact O-N 3.11Å; S403-S406 PolarHBondContact O-OG 2.67Å; S403-A409 WeakPolarHBondContact O-CB 3.45Å
404	I	97.7	Very high	97.6	Very high	20 Å²	20	54.1 Å²	54.1	10%	0.103	33%	0.325	C	S	.	.	H	α-helix	trans	-72.3	-26	-177	72	177.3	0	0	0	112.6	L337 L385 A400 L401	L337-I404 HydrophobicContact CD1-CB 4.35Å; L337-I404 HydrophobicContact CD1-CD1 3.63Å; L337-I404 HydrophobicContact CD1-CG1 3.97Å; L337-I404 WeakPolarHBondContact CD2-O 3.13Å; L385-I404 HydrophobicContact CD1-CD1 3.74Å; L385-I404 HydrophobicContact CD2-CD1 3.76Å; L385-I404 HydrophobicContact CG-CD1 4.05Å; A400-I404 PolarHBondContact O-N 3.41Å; A400-I404 VanDerWaalsContact O-N 3.15Å; L401-I404 WeakPolarHBondContact O-CG1 3.26Å; L401-I404 PolarHBondContact O-N 2.98Å
405	F	98	Very high	97.6	Very high	41 Å²	41	54.4 Å²	54.4	18%	0.18	34%	0.337	C	S	.	.	H	α-helix	trans	-85.4	-11.7	174.6	-84.4	-103.5	0	0	0	113.7	I313 M315 P333 L336 L337 L401 D402 S403 R410	I313-F405 HydrophobicContact CD1-CZ 3.9Å; M315-F405 HydrophobicContact CE-CD1 3.4Å; M315-F405 VanDerWaalsContact CE-CD1 3.4Å; M315-F405 HydrophobicContact CE-CE1 3.41Å; M315-F405 VanDerWaalsContact CE-CE1 3.41Å; M315-F405 HydrophobicContact CE-CG 4.47Å; M315-F405 HydrophobicContact CE-CZ 4.45Å; P333-F405 HydrophobicContact CB-CE2 4.02Å; P333-F405 HydrophobicContact CB-CZ 4.3Å; L336-F405 HydrophobicContact CB-CE1 4.36Å; L336-F405 HydrophobicContact CB-CZ 4.33Å; L337-F405 HydrophobicContact CD1-CE2 4.21Å; L337-F405 HydrophobicContact CD2-CD2 4.36Å; L337-F405 HydrophobicContact CD2-CE2 4.32Å; L337-F405 HydrophobicContact CD2-CG 4.49Å; L337-F405 HydrophobicContact CD2-CZ 4.46Å; L337-F405 HydrophobicContact CG-CE2 4.13Å; L337-F405 HydrophobicContact CG-CZ 4.18Å; L401-F405 HydrophobicContact CD1-CD2 3.65Å; L401-F405 HydrophobicContact CD1-CE2 3.5Å; L401-F405 HydrophobicContact CG-CD2 4.27Å; L401-F405 WeakPolarHBondContact O-CD2 3.36Å; L401-F405 PolarHBondContact O-N 3.24Å; L401-F405 VanDerWaalsContact O-N 3.11Å; D402-F405 PolarHBondContact O-N 2.66Å; S403-F405 VanDerWaalsContact C-N 3.32Å; S403-F405 PolarHBondContact O-N 3.24Å; F405-R410 WeakPolarHBondContact O-CD 3.5Å
406	S	97.8	Very high	97.5	Very high	35 Å²	35	50.8 Å²	50.8	25%	0.245	32%	0.316	C	S	.	.	S	Bend	trans	-59.4	142.6	-179.2	74.3	0	0	0	0	111.3	D402 S403 S408 A409 R410	D402-S406 WeakPolarHBondContact O-CB 3.08Å; D402-S406 PolarHBondContact O-N 2.79Å; S403-S406 WeakPolarHBondContact O-CB 3.39Å; S403-S406 PolarHBondContact O-N 3.11Å; S403-S406 PolarHBondContact O-OG 2.67Å; S406-S408 VanDerWaalsContact C-N 3.28Å; S406-S408 PolarHBondContact O-N 3.18Å; S406-S408 PolarHBondContact OG-OG 2.68Å; S406-A409 PolarHBondContact O-N 3.36Å; S406-A409 WeakPolarHBondContact OG-CB 3.22Å; S406-A409 PolarHBondContact OG-N 3.35Å; S406-R410 WeakPolarHBondContact O-CG 3.34Å; S406-R410 PolarHBondContact O-N 3.16Å; S406-R410 VanDerWaalsContact O-N 3.09Å
407	K	96.1	Very high	97.4	Very high	149 Å²	149	48.6 Å²	48.6	65%	0.648	30%	0.298	S	S	*	.	H	α-helix	trans	-55.5	-45.1	179.3	179.6	175.6	170.6	179.6	0	111.6	R410 E411	K407-R410 PolarHBondContact O-N 3.14Å; K407-E411 WeakPolarHBondContact CE-OE1 3.47Å; K407-E411 HydrophobicContact CG-CG 4.34Å; K407-E411 IonicContact NZ-OE1 3.23Å; K407-E411 WeakPolarHBondContact O-CB 3.42Å; K407-E411 WeakPolarHBondContact O-CG 3.42Å; K407-E411 PolarHBondContact O-N 3.42Å
408	S	96.9	Very high	97.3	Very high	83 Å²	83	51.1 Å²	51.1	58%	0.58	31%	0.311	S	S	*	.	H	α-helix	trans	-63.6	-41.6	-179.7	49.2	0	0	0	0	113.2	S406 A412	S406-S408 VanDerWaalsContact C-N 3.28Å; S406-S408 PolarHBondContact O-N 3.18Å; S406-S408 PolarHBondContact OG-OG 2.68Å; S408-A412 WeakPolarHBondContact O-CB 3.34Å; S408-A412 PolarHBondContact O-N 3.13Å
409	A	97	Very high	97.1	Very high	29 Å²	29	51.2 Å²	51.2	24%	0.24	31%	0.309	C	S	.	.	H	α-helix	trans	-64.1	-45.3	177.2	0	0	0	0	0	110.6	S403 S406 A412 T413	S403-A409 WeakPolarHBondContact O-CB 3.45Å; S406-A409 PolarHBondContact O-N 3.36Å; S406-A409 WeakPolarHBondContact OG-CB 3.22Å; S406-A409 PolarHBondContact OG-N 3.35Å; A409-A412 WeakPolarHBondContact O-CB 3.04Å; A409-A412 PolarHBondContact O-N 2.69Å; A409-T413 PolarHBondContact O-N 2.95Å; A409-T413 PolarHBondContact O-OG1 2.86Å
410	R	97.6	Very high	97	Very high	47 Å²	47	52.3 Å²	52.3	18%	0.177	31%	0.309	C	S	.	.	H	α-helix	trans	-63.5	-42.2	178.5	-67.2	175.6	59	-154.8	-5.7	112.7	L337 G340 N341 L344 F405 S406 K407 A412 T413 V414	L337-R410 HydrophobicContact CD2-CG 4.37Å; G340-R410 VanDerWaalsContact C-NH2 3.28Å; G340-R410 PolarHBondContact O-NH2 3.36Å; N341-R410 WeakPolarHBondContact OD1-CB 3.39Å; N341-R410 VanDerWaalsContact OD1-CG 3.31Å; N341-R410 WeakPolarHBondContact OD1-CG 3.12Å; N341-R410 PolarHBondContact OD1-NE 2.95Å; L344-R410 HydrophobicContact CD2-CB 4.07Å; F405-R410 WeakPolarHBondContact O-CD 3.5Å; S406-R410 WeakPolarHBondContact O-CG 3.34Å; S406-R410 PolarHBondContact O-N 3.16Å; S406-R410 VanDerWaalsContact O-N 3.09Å; K407-R410 PolarHBondContact O-N 3.14Å; R410-A412 VanDerWaalsContact C-N 3.32Å; R410-A412 PolarHBondContact O-N 2.64Å; R410-T413 PolarHBondContact O-N 2.92Å; R410-V414 WeakPolarHBondContact O-CB 3.36Å; R410-V414 WeakPolarHBondContact O-CG2 3.19Å; R410-V414 PolarHBondContact O-N 2.91Å
411	E	97.2	Very high	96.7	Very high	75 Å²	75	56.6 Å²	56.6	35%	0.35	32%	0.321	S	S	.	.	H	α-helix	trans	-61.3	-41.3	174.5	-75.6	173.9	161.6	0	0	111.5	L344 K407 V414 A415	L344-E411 HydrophobicContact CD2-CG 4.17Å; K407-E411 WeakPolarHBondContact CE-OE1 3.47Å; K407-E411 HydrophobicContact CG-CG 4.34Å; K407-E411 IonicContact NZ-OE1 3.23Å; K407-E411 WeakPolarHBondContact O-CB 3.42Å; K407-E411 WeakPolarHBondContact O-CG 3.42Å; K407-E411 PolarHBondContact O-N 3.42Å; E411-V414 PolarHBondContact O-N 2.79Å; E411-A415 VanDerWaalsContact O-CB 3.29Å; E411-A415 WeakPolarHBondContact O-CB 3.49Å; E411-A415 PolarHBondContact O-N 2.9Å
412	A	96.9	Very high	96.4	Very high	63 Å²	63	56.2 Å²	56.2	52%	0.521	32%	0.32	S	S	.	.	H	α-helix	trans	-64.8	-43.7	174.9	0	0	0	0	0	112.4	S408 A409 R410 A415 S416	S408-A412 WeakPolarHBondContact O-CB 3.34Å; S408-A412 PolarHBondContact O-N 3.13Å; A409-A412 WeakPolarHBondContact O-CB 3.04Å; A409-A412 PolarHBondContact O-N 2.69Å; R410-A412 VanDerWaalsContact C-N 3.32Å; R410-A412 PolarHBondContact O-N 2.64Å; A412-A415 PolarHBondContact O-N 3.4Å; A412-S416 PolarHBondContact O-N 2.57Å; A412-S416 VanDerWaalsContact O-N 3.09Å
413	T	96.7	Very high	95.9	Very high	29 Å²	29	52 Å²	52	18%	0.178	30%	0.298	C	S	.	.	H	α-helix	trans	-59.4	-45.5	174.5	-58.7	0	0	0	0	111.6	L374 L377 A409 R410 S416	L374-T413 HydrophobicContact CD2-CG2 4.16Å; L377-T413 HydrophobicContact CB-CG2 3.88Å; L377-T413 HydrophobicContact CD1-CG2 3.73Å; L377-T413 HydrophobicContact CG-CG2 4.27Å; A409-T413 PolarHBondContact O-N 2.95Å; A409-T413 PolarHBondContact O-OG1 2.86Å; R410-T413 PolarHBondContact O-N 2.92Å; T413-S416 PolarHBondContact O-N 3.48Å; T413-S416 PolarHBondContact O-OG 2.86Å
414	V	97	Very high	95	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-67.3	-37.2	179.8	165.2	0	0	0	0	111.8	N341 L344 K345 L348 R410 E411 S416 V417	N341-V414 HydrophobicContact CB-CG2 3.93Å; N341-V414 VanDerWaalsContact O-CG2 3.31Å; N341-V414 WeakPolarHBondContact O-CG2 3.49Å; L344-V414 HydrophobicContact CB-CG2 4.2Å; L344-V414 HydrophobicContact CD2-CG2 4.01Å; L344-V414 HydrophobicContact CG-CG2 4.12Å; K345-V414 VanDerWaalsContact CA-CG1 3.47Å; K345-V414 HydrophobicContact CB-CG1 3.69Å; K345-V414 HydrophobicContact CB-CG2 4.34Å; K345-V414 HydrophobicContact CD-CG1 3.6Å; K345-V414 HydrophobicContact CG-CG1 4.22Å; L348-V414 HydrophobicContact CD1-CG1 3.9Å; R410-V414 WeakPolarHBondContact O-CB 3.36Å; R410-V414 WeakPolarHBondContact O-CG2 3.19Å; R410-V414 PolarHBondContact O-N 2.91Å; E411-V414 PolarHBondContact O-N 2.79Å; V414-S416 VanDerWaalsContact C-N 3.29Å; V414-S416 PolarHBondContact O-N 2.94Å; V414-V417 PolarHBondContact O-N 3.27Å
415	A	96.8	Very high	94.2	Very high	74 Å²	74	60 Å²	60	61%	0.612	33%	0.325	S	S	*	.	H	α-helix	trans	-69.3	-25.1	176.6	0	0	0	0	0	113.2	E411 A412 V417	E411-A415 VanDerWaalsContact O-CB 3.29Å; E411-A415 WeakPolarHBondContact O-CB 3.49Å; E411-A415 PolarHBondContact O-N 2.9Å; A412-A415 PolarHBondContact O-N 3.4Å; A415-V417 VanDerWaalsContact C-N 3.33Å
416	S	96.1	Very high	93.4	Very high	43 Å²	43	58.6 Å²	58.6	30%	0.301	32%	0.319	S	S	.	.	H	α-helix	trans	-77.2	-17.7	177.6	79.9	0	0	0	0	113.5	A412 T413 V414 V423 H426	A412-S416 PolarHBondContact O-N 2.57Å; A412-S416 VanDerWaalsContact O-N 3.09Å; T413-S416 PolarHBondContact O-N 3.48Å; T413-S416 PolarHBondContact O-OG 2.86Å; V414-S416 VanDerWaalsContact C-N 3.29Å; V414-S416 PolarHBondContact O-N 2.94Å; S416-V423 WeakPolarHBondContact O-CG2 3.34Å; S416-H426 PolarHBondContact O-CE1 2.88Å; S416-H426 PolarHBondContact OG-CE1 2.9Å; S416-H426 PolarHBondContact OG-NE2 3.46Å; S416-H426 VanDerWaalsContact OG-NE2 3.08Å
417	V	96.3	Very high	92	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.312	C	S	.	.			trans	-84	121.4	177.1	178.9	0	0	0	0	110.4	K345 R370 E373 L374 L377 V414 A415	K345-V417 PolarHBondContact NZ-O 3.04Å; R370-V417 HydrophobicContact CG-CG1 4.33Å; E373-V417 HydrophobicContact CB-CG1 3.89Å; E373-V417 HydrophobicContact CB-CG2 3.96Å; E373-V417 HydrophobicContact CG-CG1 4.33Å; L374-V417 HydrophobicContact CD2-CG2 3.87Å; L374-V417 HydrophobicContact CG-CG2 4.2Å; L377-V417 HydrophobicContact CD1-CG2 3.7Å; V414-V417 PolarHBondContact O-N 3.27Å; A415-V417 VanDerWaalsContact C-N 3.33Å
418	L	95.4	Very high	90.9	Very high	54 Å²	54	56.5 Å²	56.5	28%	0.283	31%	0.309	S	S	.	.			trans	-109.8	125.1	-176	-56.4	179.5	0	0	0	110.5	H369 D420 R421 V423	H369-L418 PolarHBondContact NE2-O 3.02Å; L418-D420 PolarHBondContact O-N 2.87Å; L418-D420 VanDerWaalsContact O-N 3.1Å; L418-R421 HydrophobicContact CB-CG 4.5Å; L418-R421 HydrophobicContact CD1-CG 4.44Å; L418-R421 PolarHBondContact O-N 3.39Å; L418-R421 VanDerWaalsContact O-O 3.08Å; L418-V423 HydrophobicContact CB-CG2 4.43Å; L418-V423 HydrophobicContact CD1-CG2 4.03Å; L418-V423 HydrophobicContact CG-CG2 4.05Å
419	D	95.4	Very high	89.9	Confident	40 Å²	40	55.9 Å²	55.9	21%	0.214	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-8.7	-173.5	-63.4	-25.7	0	0	0	114.2	K345 I366 R370 L637	K345-D419 WeakPolarHBondContact CE-OD1 3.48Å; K345-D419 IonicContact NZ-OD1 2.67Å; I366-D419 HydrophobicContact CG2-CB 3.92Å; R370-D419 WeakPolarHBondContact CG-OD1 3.11Å; R370-D419 IonicContact CZ-OD1 2.59Å; R370-D419 IonicContact CZ-OD2 3.29Å; R370-D419 IonicContact NE-OD1 3.13Å; R370-D419 PolarHBondContact NE-OD1 2.87Å; R370-D419 IonicContact NE-OD2 3.49Å; R370-D419 IonicContact NH2-OD1 3.22Å; R370-D419 PolarHBondContact NH2-OD1 3.37Å; R370-D419 IonicContact NH2-OD2 3.45Å; R370-D419 PolarHBondContact NH2-OD2 3.32Å; D419-L637 WeakPolarHBondContact O-CD2 3.43Å
420	D	94.8	Very high	89.1	Confident	99 Å²	99	59 Å²	59	53%	0.529	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-9.5	-174.6	69.9	-13	0	0	0	114.3	L418 L637	L418-D420 PolarHBondContact O-N 2.87Å; L418-D420 VanDerWaalsContact O-N 3.1Å; D420-L637 WeakPolarHBondContact O-CD2 3.37Å
421	R	93	Very high	88.3	Confident	108 Å²	108	59.7 Å²	59.7	41%	0.408	32%	0.319	S	S	.	.	S	Bend	trans	-166.1	154.2	179.6	66.8	-168.3	177.8	-90.1	10.1	113	H369 L418	H369-R421 PolarHBondContact CE1-O 3.01Å; L418-R421 HydrophobicContact CB-CG 4.5Å; L418-R421 HydrophobicContact CD1-CG 4.44Å; L418-R421 PolarHBondContact O-N 3.39Å; L418-R421 VanDerWaalsContact O-O 3.08Å
422	V	90.5	Very high	87.5	Confident	9 Å²	9	56.9 Å²	56.9	6%	0.055	31%	0.306	C	S	.	.			trans	-64.3	134.2	163.2	-179.9	0	0	0	0	111	S615 L637 Y639	V422-S615 WeakPolarHBondContact CG1-OG 3.06Å; V422-L637 WeakPolarHBondContact CG2-O 3.27Å; V422-L637 PolarHBondContact N-O 2.94Å; V422-Y639 HydrophobicContact CG2-CD1 3.92Å; V422-Y639 HydrophobicContact CG2-CD2 3.9Å; V422-Y639 HydrophobicContact CG2-CE1 3.56Å; V422-Y639 HydrophobicContact CG2-CE2 3.59Å; V422-Y639 HydrophobicContact CG2-CG 4.06Å
423	V	88.1	Confident	86.3	Confident	22 Å²	22	59.9 Å²	59.9	13%	0.133	31%	0.308	C	S	.	.			trans	-90.1	114.4	171.8	176	0	0	0	0	108.2	E373 S416 L418 E425 H426	E373-V423 PolarHBondContact OE2-N 3.43Å; E373-V423 VanDerWaalsContact OE2-N 3.1Å; S416-V423 WeakPolarHBondContact O-CG2 3.34Å; L418-V423 HydrophobicContact CB-CG2 4.43Å; L418-V423 HydrophobicContact CD1-CG2 4.03Å; L418-V423 HydrophobicContact CG-CG2 4.05Å; V423-E425 HydrophobicContact CG1-CB 4.28Å; V423-E425 VanDerWaalsContact CG1-OE2 3.23Å; V423-E425 WeakPolarHBondContact CG1-OE2 3.26Å; V423-E425 PolarHBondContact O-N 3.36Å; V423-H426 VanDerWaalsContact CB-CE1 3.47Å; V423-H426 WeakPolarHBondContact CB-CE1 3.35Å; V423-H426 WeakPolarHBondContact CB-ND1 3.48Å; V423-H426 WeakPolarHBondContact O-CB 3.39Å; V423-H426 PolarHBondContact O-N 3.2Å; V423-H426 VanDerWaalsContact O-N 3.1Å
424	K	80.5	Confident	84.8	Confident	139 Å²	139	59.6 Å²	59.6	60%	0.604	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-61.7	-35.8	-170.3	-69.2	-176.6	-180	179.5	0	112.3	H426 S427	K424-H426 PolarHBondContact O-N 3Å; K424-S427 WeakPolarHBondContact O-CB 3.29Å; K424-S427 PolarHBondContact O-N 2.82Å
425	E	80.9	Confident	82.9	Confident	120 Å²	120	60.3 Å²	60.3	56%	0.561	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-59.4	-30.5	179.6	-65.2	74.5	-167.7	0	0	111.7	V423 S427 Q428 Q429	V423-E425 HydrophobicContact CG1-CB 4.28Å; V423-E425 VanDerWaalsContact CG1-OE2 3.23Å; V423-E425 WeakPolarHBondContact CG1-OE2 3.26Å; V423-E425 PolarHBondContact O-N 3.36Å; E425-S427 VanDerWaalsContact C-N 3.27Å; E425-S427 PolarHBondContact O-N 3.18Å; E425-Q428 PolarHBondContact O-N 3.46Å; E425-Q429 WeakPolarHBondContact O-CG 3.06Å
426	H	80.6	Confident	81.1	Confident	10 Å²	10	60 Å²	60	5%	0.046	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-68.2	-27.1	176.1	-58.8	165.6	0	0	0	112.5	E373 S416 V423 K424 Q428	E373-H426 IonicContact OE2-CE1 3.87Å; E373-H426 IonicContact OE2-CG 2.82Å; E373-H426 IonicContact OE2-ND1 3.64Å; E373-H426 PolarHBondContact OE2-ND1 3.45Å; S416-H426 PolarHBondContact O-CE1 2.88Å; S416-H426 PolarHBondContact OG-CE1 2.9Å; S416-H426 PolarHBondContact OG-NE2 3.46Å; S416-H426 VanDerWaalsContact OG-NE2 3.08Å; V423-H426 VanDerWaalsContact CB-CE1 3.47Å; V423-H426 WeakPolarHBondContact CB-CE1 3.35Å; V423-H426 WeakPolarHBondContact CB-ND1 3.48Å; V423-H426 WeakPolarHBondContact O-CB 3.39Å; V423-H426 PolarHBondContact O-N 3.2Å; V423-H426 VanDerWaalsContact O-N 3.1Å; K424-H426 PolarHBondContact O-N 3Å; H426-Q428 VanDerWaalsContact C-N 3.3Å
427	S	68.3	Low	79	Confident	14 Å²	14	63.3 Å²	63.3	10%	0.098	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-83.4	-4.8	177	-59.9	0	0	0	0	113.5	K424 E425 S615	K424-S427 WeakPolarHBondContact O-CB 3.29Å; K424-S427 PolarHBondContact O-N 2.82Å; E425-S427 VanDerWaalsContact C-N 3.27Å; E425-S427 PolarHBondContact O-N 3.18Å; S427-S615 PolarHBondContact OG-N 3.25Å; S427-S615 VanDerWaalsContact OG-N 3.14Å
428	Q	71.9	Confident	77	Confident	126 Å²	126	66 Å²	66	59%	0.589	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-108.2	5.4	-178	-65.7	179.8	-23.6	0	0	112.7	E425 H426 L614	E425-Q428 PolarHBondContact O-N 3.46Å; H426-Q428 VanDerWaalsContact C-N 3.3Å; Q428-L614 HydrophobicContact CG-CD1 4.33Å; Q428-L614 HydrophobicContact CG-CD2 3.68Å
429	Q	77	Confident	75.6	Confident	71 Å²	71	65.6 Å²	65.6	33%	0.332	35%	0.346	S	S	.	.	S	Bend	trans	-77.2	163.7	-178.7	-57.8	-168.5	-2.6	0	0	111.9	L377 A380 E425	L377-Q429 VanDerWaalsContact CD2-NE2 3.35Å; A380-Q429 HydrophobicContact CB-CB 3.58Å; A380-Q429 HydrophobicContact CB-CG 4.31Å; E425-Q429 WeakPolarHBondContact O-CG 3.06Å
430	D	79.5	Confident	75.1	Confident	94 Å²	94	65 Å²	65	50%	0.503	35%	0.346	S	S	.	.			trans	-63.5	141.1	175.7	-69.6	-30.9	0	0	0	110.9	A380 T383 K490	A380-D430 VanDerWaalsContact CA-O 3.29Å; A380-D430 WeakPolarHBondContact CA-O 3.23Å; T383-D430 HydrophobicContact CG2-CB 4.23Å; D430-K490 WeakPolarHBondContact OD2-CE 3.39Å; D430-K490 IonicContact OD2-NZ 3.82Å; D430-K490 PolarHBondContact OD2-NZ 3.12Å
431	V	81.7	Confident	74.9	Confident	62 Å²	62	60.6 Å²	60.6	38%	0.376	32%	0.322	S	S	.	.			trans	-124.5	159.1	179.6	-63.6	0	0	0	0	110.4	E379 Y609	E379-V431 WeakPolarHBondContact OE1-CB 3.38Å; V431-Y609 HydrophobicContact CB-CD1 4.45Å; V431-Y609 HydrophobicContact CB-CG 4.4Å; V431-Y609 HydrophobicContact CG1-CD1 3.25Å; V431-Y609 HydrophobicContact CG1-CD2 4.35Å; V431-Y609 HydrophobicContact CG1-CE1 3.68Å; V431-Y609 HydrophobicContact CG1-CG 3.61Å
432	L	80.4	Confident	74.9	Confident	15 Å²	15	55.5 Å²	55.5	8%	0.079	30%	0.302	C	S	.	.			trans	-70.3	146	173.3	-65.7	178.5	0	0	0	109.7	V330 E379 V382 T383 T434 T435 L501 P503 L528	V330-L432 HydrophobicContact CG2-CD1 3.78Å; E379-L432 PolarHBondContact OE1-N 3.25Å; V382-L432 HydrophobicContact CG2-CD1 4.32Å; T383-L432 HydrophobicContact CG2-CD2 4.03Å; T383-L432 HydrophobicContact CG2-CG 4.34Å; L432-T434 PolarHBondContact O-N 3.36Å; L432-T435 HydrophobicContact CB-CG2 4.41Å; L432-T435 PolarHBondContact O-N 3.3Å; L432-T435 VanDerWaalsContact O-N 3.12Å; L432-T435 PolarHBondContact O-OG1 2.81Å; L432-L501 HydrophobicContact CD2-CD1 4.45Å; L432-P503 HydrophobicContact CD1-CB 3.89Å; L432-L528 HydrophobicContact CD1-CD1 3.68Å; L432-L528 HydrophobicContact CD1-CG 4.1Å; L432-L528 HydrophobicContact CG-CD1 4.42Å
433	K	72.1	Confident	75.1	Confident	126 Å²	126	55.2 Å²	55.2	55%	0.548	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-55.8	-23.5	176.6	-75.9	-177.8	175.4	176.6	0	113.3	S436 F486	K433-S436 PolarHBondContact O-OG 2.97Å; K433-F486 PolarHBondContact NZ-O 3.13Å
434	T	64.4	Low	75.4	Confident	24 Å²	24	54.1 Å²	54.1	15%	0.147	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-84.4	-9.4	-175.3	52.9	0	0	0	0	114.1	L432 I441 L485 P503	L432-T434 PolarHBondContact O-N 3.36Å; T434-I441 HydrophobicContact CG2-CG2 3.43Å; T434-I441 VanDerWaalsContact CG2-CG2 3.43Å; T434-L485 HydrophobicContact CG2-CD2 3.33Å; T434-P503 HydrophobicContact CG2-CG 4.13Å; T434-P503 WeakPolarHBondContact OG1-CG 3.37Å
435	T	57.1	Low	76.1	Confident	17 Å²	17	47.5 Å²	47.5	10%	0.104	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-94.7	-0.2	-178.9	55.7	0	0	0	0	113.2	E379 L432 E437 L528	E379-T435 VanDerWaalsContact OE1-CB 3.31Å; E379-T435 WeakPolarHBondContact OE1-CB 3.2Å; E379-T435 WeakPolarHBondContact OE1-CG2 3.38Å; E379-T435 PolarHBondContact OE1-OG1 2.96Å; L432-T435 HydrophobicContact CB-CG2 4.41Å; L432-T435 PolarHBondContact O-N 3.3Å; L432-T435 VanDerWaalsContact O-N 3.12Å; L432-T435 PolarHBondContact O-OG1 2.81Å; T435-E437 PolarHBondContact O-N 2.72Å; T435-L528 HydrophobicContact CG2-CB 3.95Å; T435-L528 HydrophobicContact CG2-CD1 4.04Å; T435-L528 HydrophobicContact CG2-CG 4.21Å
436	S	59.2	Low	76.9	Confident	66 Å²	66	41.8 Å²	41.8	46%	0.462	24%	0.239	S	C	.	.	S	Bend	trans	-61.8	135.1	168.5	62.5	0	0	0	0	110.4	K433 G438 A439	K433-S436 PolarHBondContact O-OG 2.97Å; S436-G438 PolarHBondContact O-N 2.93Å; S436-A439 WeakPolarHBondContact O-CB 3.41Å; S436-A439 PolarHBondContact O-N 3.09Å; S436-A439 WeakPolarHBondContact OG-CB 3.3Å
437	E	51.4	Low	77.6	Confident	114 Å²	114	41.3 Å²	41.3	53%	0.533	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	127.5	-177	-161.1	161.2	-134.3	0	0	112.7	T435 A439	T435-E437 PolarHBondContact O-N 2.72Å; E437-A439 VanDerWaalsContact C-N 3.32Å; E437-A439 PolarHBondContact O-N 3.34Å
438	G	54.8	Low	79	Confident	56 Å²	56	40.7 Å²	40.7	58%	0.577	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.7	-4.9	-178.6	0	0	0	0	0	116.1	K229 S436 S440	K229-G438 PolarHBondContact NZ-O 3.29Å; S436-G438 PolarHBondContact O-N 2.93Å; G438-S440 PolarHBondContact O-N 3.35Å
439	A	66.7	Low	80.1	Confident	45 Å²	45	34.7 Å²	34.7	37%	0.372	20%	0.204	S	C	.	.			trans	-76.2	117.9	172	0	0	0	0	0	110.4	S436 E437	S436-A439 WeakPolarHBondContact O-CB 3.41Å; S436-A439 PolarHBondContact O-N 3.09Å; S436-A439 WeakPolarHBondContact OG-CB 3.3Å; E437-A439 VanDerWaalsContact C-N 3.32Å; E437-A439 PolarHBondContact O-N 3.34Å
440	S	85.1	Confident	80.9	Confident	29 Å²	29	31.9 Å²	31.9	20%	0.203	19%	0.191	C	C	.	.			trans	-111.9	145.2	167.2	177.6	0	0	0	0	108.2	G438 G442 P465 D526	G438-S440 PolarHBondContact O-N 3.35Å; S440-G442 VanDerWaalsContact C-N 3.28Å; S440-G442 PolarHBondContact OG-N 3.35Å; S440-P465 WeakPolarHBondContact O-CD 3.39Å; S440-D526 WeakPolarHBondContact CB-OD1 3.4Å; S440-D526 PolarHBondContact OG-OD1 3.38Å
441	I	90.1	Very high	81.4	Confident	6 Å²	6	30.6 Å²	30.6	3%	0.031	19%	0.189	C	C	.	.			trans	-91.5	6.5	175	60.3	174.3	0	0	0	112.3	T434 D443 G463 S464 L485 P503 I504	T434-I441 HydrophobicContact CG2-CG2 3.43Å; T434-I441 VanDerWaalsContact CG2-CG2 3.43Å; I441-D443 HydrophobicContact CD1-CB 4.01Å; I441-D443 HydrophobicContact CG1-CB 3.85Å; I441-D443 WeakPolarHBondContact CG1-OD1 3Å; I441-G463 CarbonylContact O-C 3.44Å; I441-G463 VanDerWaalsContact O-CA 3.25Å; I441-G463 WeakPolarHBondContact O-CA 3.1Å; I441-G463 PolarHBondContact O-N 2.96Å; I441-S464 PolarHBondContact O-N 3.21Å; I441-S464 VanDerWaalsContact O-N 3.11Å; I441-L485 HydrophobicContact CG2-CD2 4.28Å; I441-P503 HydrophobicContact CD1-CG 3.84Å; I441-P503 HydrophobicContact CG2-CG 4.27Å; I441-I504 HydrophobicContact CD1-CD1 3.47Å; I441-I504 VanDerWaalsContact CD1-CD1 3.47Å; I441-I504 HydrophobicContact CD1-CG1 3.51Å
442	G	92.9	Very high	81.7	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.192	C	C	.	.			trans	58.1	57.2	-177.4	0	0	0	0	0	111	V134 S440 F461 M462	V134-G442 WeakPolarHBondContact CA-O 3.4Å; V134-G442 VanDerWaalsContact O-O 3.12Å; S440-G442 VanDerWaalsContact C-N 3.28Å; S440-G442 PolarHBondContact OG-N 3.35Å; G442-F461 WeakPolarHBondContact O-CA 3.12Å; G442-M462 PolarHBondContact O-N 3.17Å; G442-M462 VanDerWaalsContact O-N 3.14Å
443	D	95.1	Very high	82	Confident	3 Å²	3	30.7 Å²	30.7	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	161	179.2	71.6	-48.6	0	0	0	112.9	V134 I441 I460 F461 I504 D526	V134-D443 WeakPolarHBondContact CG1-O 2.87Å; I441-D443 HydrophobicContact CD1-CB 4.01Å; I441-D443 HydrophobicContact CG1-CB 3.85Å; I441-D443 WeakPolarHBondContact CG1-OD1 3Å; D443-I460 CarbonylContact C-O 3.57Å; D443-I460 VanDerWaalsContact CA-O 3.28Å; D443-I460 WeakPolarHBondContact CA-O 3.42Å; D443-F461 HydrophobicContact CB-CB 3.67Å; D443-I504 HydrophobicContact CB-CD1 3.8Å; D443-D526 WeakPolarHBondContact OD1-CA 3.49Å; D443-D526 PolarHBondContact OD1-N 3.39Å; D443-D526 PolarHBondContact OD2-N 3.33Å
444	T	94.7	Very high	83	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	156.7	166.3	-173.5	0	0	0	0	110.6	L127 V134 I446 N459 I460	L127-T444 HydrophobicContact CD1-CG2 4.01Å; V134-T444 HydrophobicContact CB-CG2 4.32Å; V134-T444 HydrophobicContact CG2-CG2 3.71Å; T444-I446 HydrophobicContact CG2-CD1 4.45Å; T444-N459 VanDerWaalsContact O-CA 3.26Å; T444-N459 WeakPolarHBondContact O-CA 3.44Å; T444-N459 PolarHBondContact O-ND2 3.49Å; T444-I460 HydrophobicContact CG2-CD1 4Å; T444-I460 HydrophobicContact CG2-CG1 3.58Å; T444-I460 PolarHBondContact N-O 2.87Å; T444-I460 PolarHBondContact O-N 3.46Å; T444-I460 VanDerWaalsContact O-N 3.1Å
445	G	94.8	Very high	84.5	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	141.9	-177.2	0	0	0	0	0	112.1	G458	G445-G458 WeakPolarHBondContact CA-O 3.47Å
446	I	96.4	Very high	86.4	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.4	176.9	-51.6	95.5	0	0	0	109.6	A95 V96 M120 V123 M124 L127 T444 T448 G458 I460 V523	A95-I446 WeakPolarHBondContact O-CA 3.48Å; V96-I446 HydrophobicContact CB-CG1 4.41Å; V96-I446 HydrophobicContact CB-CG2 4.43Å; V96-I446 HydrophobicContact CG2-CG1 3.98Å; M120-I446 HydrophobicContact CE-CB 3.93Å; M120-I446 HydrophobicContact CE-CG2 3.76Å; M120-I446 WeakPolarHBondContact CE-O 3.24Å; M120-I446 HydrophobicContact SD-CB 3.63Å; M120-I446 HydrophobicContact SD-CG1 4.48Å; M120-I446 HydrophobicContact SD-CG2 3.47Å; M120-I446 WeakPolarHBondContact SD-CG2 3.37Å; V123-I446 HydrophobicContact CB-CG2 4.4Å; V123-I446 HydrophobicContact CG1-CG1 3.98Å; V123-I446 HydrophobicContact CG1-CG2 3.8Å; M124-I446 HydrophobicContact CE-CD1 4.04Å; M124-I446 HydrophobicContact CG-CD1 4.17Å; L127-I446 HydrophobicContact CD1-CD1 3.75Å; L127-I446 HydrophobicContact CD1-CG1 3.82Å; T444-I446 HydrophobicContact CG2-CD1 4.45Å; I446-T448 HydrophobicContact CG2-CG2 4.23Å; I446-G458 PolarHBondContact N-O 2.88Å; I446-G458 PolarHBondContact O-N 2.94Å; I446-I460 HydrophobicContact CD1-CD1 4.31Å; I446-I460 HydrophobicContact CD1-CG1 4.21Å; I446-V523 WeakPolarHBondContact O-CG1 3.04Å
447	V	96.8	Very high	88.3	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.7	166.7	-165.9	0	0	0	0	109.4	V94 A95 T455 V456 V457 V523 I657	V94-V447 CarbonylContact C-O 3.59Å; V94-V447 WeakPolarHBondContact CA-O 3.33Å; A95-V447 HydrophobicContact CB-CB 4.4Å; A95-V447 PolarHBondContact N-O 3.11Å; A95-V447 PolarHBondContact O-N 2.99Å; V447-T455 HydrophobicContact CG1-CG2 4.2Å; V447-V456 WeakPolarHBondContact CA-O 3.22Å; V447-V457 HydrophobicContact CG1-CG2 4.42Å; V447-V457 HydrophobicContact CG2-CG1 4.24Å; V447-V523 HydrophobicContact CG2-CB 4.22Å; V447-V523 HydrophobicContact CG2-CG1 3.76Å; V447-V523 HydrophobicContact CG2-CG2 3.59Å; V447-I657 HydrophobicContact CB-CB 4.13Å; V447-I657 HydrophobicContact CB-CD1 4.44Å; V447-I657 HydrophobicContact CG1-CB 3.74Å; V447-I657 HydrophobicContact CG1-CG2 4.41Å
448	T	97.1	Very high	90.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	146.3	170.5	63.2	0	0	0	0	110.4	A93 V94 A116 A119 M120 I446 T455 V456	A93-T448 CarbonylContact O-C 3.6Å; A93-T448 VanDerWaalsContact O-CA 3.3Å; A93-T448 WeakPolarHBondContact O-CA 3.47Å; V94-T448 HydrophobicContact CB-CG2 4.49Å; V94-T448 HydrophobicContact CG1-CG2 4.17Å; V94-T448 HydrophobicContact CG2-CG2 4.07Å; A116-T448 PolarHBondContact O-OG1 3.1Å; A119-T448 HydrophobicContact CB-CG2 4.13Å; M120-T448 HydrophobicContact CB-CG2 4.29Å; M120-T448 HydrophobicContact CE-CG2 4.25Å; I446-T448 HydrophobicContact CG2-CG2 4.23Å; T448-T455 CarbonylContact O-C 3.12Å; T448-T455 WeakPolarHBondContact O-CA 3.34Å; T448-V456 PolarHBondContact N-O 2.8Å; T448-V456 PolarHBondContact O-N 3.16Å; T448-V456 WeakPolarHBondContact OG1-CB 3.31Å
449	T	95.8	Very high	92.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	147.6	168.3	-156	0	0	0	0	111.8	G92 A93 F454 T455 I657 W659 M664	G92-T449 CarbonylContact C-O 3.56Å; G92-T449 VanDerWaalsContact CA-O 3.26Å; G92-T449 WeakPolarHBondContact CA-O 3.35Å; A93-T449 HydrophobicContact CB-CG2 4.5Å; A93-T449 PolarHBondContact N-O 3.37Å; A93-T449 PolarHBondContact O-N 2.97Å; T449-F454 WeakPolarHBondContact CA-O 2.94Å; T449-F454 PolarHBondContact OG1-O 2.84Å; T449-T455 PolarHBondContact OG1-OG1 3.41Å; T449-I657 HydrophobicContact CG2-CG2 3.33Å; T449-W659 HydrophobicContact CG2-CZ2 4.01Å; T449-W659 PolarHBondContact OG1-NE1 2.87Å; T449-M664 HydrophobicContact CG2-CE 4.18Å; T449-M664 HydrophobicContact CG2-SD 4.48Å
450	D	93.7	Very high	94.1	Very high	12 Å²	12	10.2 Å²	10.2	6%	0.064	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	174.7	177.8	66.9	40.2	0	0	0	112.6	Q91 M109 N115 A116 T452 S453 F454 W659	Q91-D450 CarbonylContact O-C 3.53Å; M109-D450 HydrophobicContact SD-CB 4.21Å; N115-D450 WeakPolarHBondContact CB-OD2 3.31Å; A116-D450 HydrophobicContact CB-CB 4.27Å; A116-D450 PolarHBondContact N-OD2 2.9Å; D450-T452 PolarHBondContact O-N 3.15Å; D450-T452 WeakPolarHBondContact OD1-CA 3.31Å; D450-T452 WeakPolarHBondContact OD1-CB 3.29Å; D450-T452 PolarHBondContact OD1-N 2.68Å; D450-T452 PolarHBondContact OD1-OG1 3.09Å; D450-S453 WeakPolarHBondContact O-CA 3.48Å; D450-S453 PolarHBondContact O-N 2.8Å; D450-F454 PolarHBondContact N-O 3.12Å; D450-F454 VanDerWaalsContact N-O 3.15Å; D450-F454 WeakPolarHBondContact OD1-CB 3.28Å; D450-F454 PolarHBondContact OD1-N 3.28Å; D450-F454 WeakPolarHBondContact OD2-CB 3.39Å; D450-W659 WeakPolarHBondContact O-CZ2 3.44Å
451	S	89.3	Confident	94.7	Very high	67 Å²	67	8.9 Å²	8.9	47%	0.469	6%	0.055	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-17	-177.3	62.7	0	0	0	0	115.7	Q91 S453	Q91-S451 WeakPolarHBondContact O-CA 3.49Å; Q91-S451 WeakPolarHBondContact O-CB 3.34Å; Q91-S451 PolarHBondContact O-N 3.03Å; S451-S453 VanDerWaalsContact C-N 3.29Å
452	T	87.6	Confident	95	Very high	69 Å²	69	8.6 Å²	8.6	42%	0.423	5%	0.054	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	3.8	176.5	72.5	0	0	0	0	113	D450 F454	D450-T452 PolarHBondContact O-N 3.15Å; D450-T452 WeakPolarHBondContact OD1-CA 3.31Å; D450-T452 WeakPolarHBondContact OD1-CB 3.29Å; D450-T452 PolarHBondContact OD1-N 2.68Å; D450-T452 PolarHBondContact OD1-OG1 3.09Å; T452-F454 PolarHBondContact O-N 3.48Å; T452-F454 WeakPolarHBondContact OG1-CB 3.41Å; T452-F454 PolarHBondContact OG1-N 3.48Å
453	S	86.6	Confident	95	Very high	10 Å²	10	8.8 Å²	8.8	7%	0.07	6%	0.055	C	C	.	.			trans	56.5	30.4	-166.5	-35	0	0	0	0	113.2	R148 D450 S451 T455	R148-S453 WeakPolarHBondContact CB-O 3.45Å; D450-S453 WeakPolarHBondContact O-CA 3.48Å; D450-S453 PolarHBondContact O-N 2.8Å; S451-S453 VanDerWaalsContact C-N 3.29Å; S453-T455 PolarHBondContact O-N 3.09Å
454	F	93.1	Very high	94.9	Very high	16 Å²	16	9.9 Å²	9.9	7%	0.07	6%	0.063	C	C	.	.			trans	-72.1	117.3	163.4	-163.4	-138.5	0	0	0	106.8	A116 V117 V145 R146 D147 F197 T449 D450 T452	A116-F454 HydrophobicContact CB-CD1 4.13Å; A116-F454 WeakPolarHBondContact CB-O 3.33Å; V117-F454 HydrophobicContact CB-CE1 4.3Å; V117-F454 HydrophobicContact CG2-CD1 4.4Å; V117-F454 HydrophobicContact CG2-CE1 3.5Å; V117-F454 HydrophobicContact CG2-CZ 3.96Å; V145-F454 HydrophobicContact CG1-CD2 4.19Å; V145-F454 HydrophobicContact CG1-CE1 4.2Å; V145-F454 HydrophobicContact CG1-CE2 3.25Å; V145-F454 HydrophobicContact CG1-CZ 3.25Å; R146-F454 VanDerWaalsContact O-CD2 3.3Å; R146-F454 WeakPolarHBondContact O-CD2 3.49Å; D147-F454 HydrophobicContact CB-CD2 4.31Å; D147-F454 HydrophobicContact CB-CE2 4.06Å; F197-F454 HydrophobicContact CB-CE1 4.21Å; F197-F454 HydrophobicContact CB-CZ 3.98Å; F197-F454 HydrophobicContact CD1-CE2 4.45Å; F197-F454 AromaticContact CD1-CZ 3.72Å; F197-F454 HydrophobicContact CD1-CZ 3.72Å; F197-F454 HydrophobicContact CE1-CZ 4.34Å; F197-F454 AromaticContact CG-CZ 3.85Å; F197-F454 HydrophobicContact CG-CZ 3.85Å; T449-F454 WeakPolarHBondContact CA-O 2.94Å; T449-F454 PolarHBondContact OG1-O 2.84Å; D450-F454 PolarHBondContact N-O 3.12Å; D450-F454 VanDerWaalsContact N-O 3.15Å; D450-F454 WeakPolarHBondContact OD1-CB 3.28Å; D450-F454 PolarHBondContact OD1-N 3.28Å; D450-F454 WeakPolarHBondContact OD2-CB 3.39Å; T452-F454 PolarHBondContact O-N 3.48Å; T452-F454 WeakPolarHBondContact OG1-CB 3.41Å; T452-F454 PolarHBondContact OG1-N 3.48Å
455	T	96	Very high	94.8	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.9	-173.9	-54.1	0	0	0	0	109.1	R146 V447 T448 T449 S453 V457 Y508	R146-T455 PolarHBondContact N-O 3.38Å; R146-T455 PolarHBondContact O-N 3.18Å; V447-T455 HydrophobicContact CG1-CG2 4.2Å; T448-T455 CarbonylContact O-C 3.12Å; T448-T455 WeakPolarHBondContact O-CA 3.34Å; T449-T455 PolarHBondContact OG1-OG1 3.41Å; S453-T455 PolarHBondContact O-N 3.09Å; T455-V457 HydrophobicContact CG2-CG2 4.05Å; T455-Y508 HydrophobicContact CG2-CD2 4.35Å; T455-Y508 HydrophobicContact CG2-CE2 4.01Å
456	V	98.2	Very high	94.8	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.7	179.2	-168.2	0	0	0	0	108.1	A116 V117 M120 V143 L144 V145 V447 T448	A116-V456 HydrophobicContact CB-CG2 3.83Å; V117-V456 HydrophobicContact CB-CG2 4.47Å; V117-V456 HydrophobicContact CG2-CG2 3.53Å; M120-V456 HydrophobicContact CB-CB 4.42Å; M120-V456 HydrophobicContact CB-CG1 4.06Å; M120-V456 HydrophobicContact CE-CB 3.86Å; M120-V456 HydrophobicContact CE-CG1 3.61Å; M120-V456 WeakPolarHBondContact CE-O 3.07Å; M120-V456 HydrophobicContact CG-CG1 3.82Å; V143-V456 HydrophobicContact CG1-CG1 3.29Å; L144-V456 WeakPolarHBondContact O-CA 3.43Å; V145-V456 HydrophobicContact CG2-CG1 4Å; V145-V456 HydrophobicContact CG2-CG2 4.35Å; V447-V456 WeakPolarHBondContact CA-O 3.22Å; T448-V456 PolarHBondContact N-O 2.8Å; T448-V456 PolarHBondContact O-N 3.16Å; T448-V456 WeakPolarHBondContact OG1-CB 3.31Å
457	V	98.2	Very high	94.7	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	121	-173.3	-162.3	0	0	0	0	106.6	V143 L144 V447 T455 P506 Y508 I522 V523	V143-V457 CarbonylContact C-O 3.54Å; V143-V457 WeakPolarHBondContact CA-O 3.38Å; L144-V457 PolarHBondContact N-O 2.82Å; L144-V457 PolarHBondContact O-N 3.01Å; V447-V457 HydrophobicContact CG1-CG2 4.42Å; V447-V457 HydrophobicContact CG2-CG1 4.24Å; T455-V457 HydrophobicContact CG2-CG2 4.05Å; V457-P506 HydrophobicContact CB-CB 4.15Å; V457-P506 HydrophobicContact CG1-CB 3.83Å; V457-Y508 HydrophobicContact CG2-CD2 4.3Å; V457-I522 WeakPolarHBondContact CG1-O 3.08Å; V457-V523 HydrophobicContact CG1-CG1 3.44Å; V457-V523 VanDerWaalsContact CG1-CG1 3.44Å
458	G	98.1	Very high	94.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	158.1	-173.3	0	0	0	0	0	114.8	A142 G445 I446	A142-G458 CarbonylContact O-C 3.53Å; A142-G458 WeakPolarHBondContact O-CA 3.46Å; G445-G458 WeakPolarHBondContact CA-O 3.47Å; I446-G458 PolarHBondContact N-O 2.88Å; I446-G458 PolarHBondContact O-N 2.94Å
459	N	97.9	Very high	94.2	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	145.2	171.8	-74.5	89	0	0	0	109.2	G141 A142 T444 F461 I504 P506 S524	G141-N459 CarbonylContact C-O 3.49Å; G141-N459 WeakPolarHBondContact CA-O 3.23Å; A142-N459 PolarHBondContact N-O 3.46Å; A142-N459 PolarHBondContact O-N 3.46Å; T444-N459 VanDerWaalsContact O-CA 3.26Å; T444-N459 WeakPolarHBondContact O-CA 3.44Å; T444-N459 PolarHBondContact O-ND2 3.49Å; N459-F461 HydrophobicContact CB-CD1 4.19Å; N459-F461 HydrophobicContact CB-CE1 4.31Å; N459-I504 HydrophobicContact CB-CD1 4.5Å; N459-I504 HydrophobicContact CB-CG2 3.4Å; N459-I504 VanDerWaalsContact CB-CG2 3.4Å; N459-P506 WeakPolarHBondContact OD1-CG 3.4Å; N459-S524 PolarHBondContact ND2-O 3.41Å
460	I	98.1	Very high	94.1	Very high	1 Å²	1	13 Å²	13	1%	0.005	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	148.6	166.3	60.5	-176.5	0	0	0	108.6	M124 L127 A135 C140 L186 D443 T444 I446	M124-I460 HydrophobicContact CE-CG2 3.72Å; M124-I460 HydrophobicContact CG-CD1 4.37Å; M124-I460 HydrophobicContact CG-CG2 3.86Å; M124-I460 HydrophobicContact SD-CG2 3.67Å; L127-I460 HydrophobicContact CB-CD1 3.91Å; L127-I460 HydrophobicContact CD1-CD1 3.71Å; L127-I460 HydrophobicContact CG-CD1 4.49Å; A135-I460 HydrophobicContact CB-CD1 3.45Å; A135-I460 VanDerWaalsContact CB-CD1 3.45Å; A135-I460 HydrophobicContact CB-CG1 4.22Å; C140-I460 WeakPolarHBondContact O-CA 3.28Å; L186-I460 HydrophobicContact CD1-CG2 3.78Å; D443-I460 CarbonylContact C-O 3.57Å; D443-I460 VanDerWaalsContact CA-O 3.28Å; D443-I460 WeakPolarHBondContact CA-O 3.42Å; T444-I460 HydrophobicContact CG2-CD1 4Å; T444-I460 HydrophobicContact CG2-CG1 3.58Å; T444-I460 PolarHBondContact N-O 2.87Å; T444-I460 PolarHBondContact O-N 3.46Å; T444-I460 VanDerWaalsContact O-N 3.1Å; I446-I460 HydrophobicContact CD1-CD1 4.31Å; I446-I460 HydrophobicContact CD1-CG1 4.21Å
461	F	97.3	Very high	94.1	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.009	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	158.7	-170.8	41.8	-90.8	0	0	0	112.6	C140 T159 L329 G442 D443 N459 M482 I502 I504	C140-F461 HydrophobicContact CB-CD2 4.14Å; C140-F461 HydrophobicContact CB-CE2 3.78Å; C140-F461 HydrophobicContact CB-CZ 4.46Å; C140-F461 PolarHBondContact N-O 2.8Å; C140-F461 VanDerWaalsContact N-O 3.12Å; C140-F461 PolarHBondContact O-N 3.35Å; C140-F461 VanDerWaalsContact O-N 3.11Å; T159-F461 HydrophobicContact CG2-CE2 4.03Å; T159-F461 HydrophobicContact CG2-CZ 3.72Å; L329-F461 HydrophobicContact CD2-CZ 4.29Å; G442-F461 WeakPolarHBondContact O-CA 3.12Å; D443-F461 HydrophobicContact CB-CB 3.67Å; N459-F461 HydrophobicContact CB-CD1 4.19Å; N459-F461 HydrophobicContact CB-CE1 4.31Å; F461-M482 HydrophobicContact CD2-CE 3.6Å; F461-M482 HydrophobicContact CD2-SD 3.76Å; F461-M482 HydrophobicContact CE2-CE 3.67Å; F461-M482 HydrophobicContact CE2-SD 4.33Å; F461-I502 HydrophobicContact CD2-CG2 4.42Å; F461-I502 HydrophobicContact CE2-CD1 4Å; F461-I502 HydrophobicContact CE2-CG2 4.01Å; F461-I502 HydrophobicContact CZ-CD1 4.46Å; F461-I502 HydrophobicContact CZ-CG2 4.11Å; F461-I504 HydrophobicContact CB-CD1 3.8Å; F461-I504 HydrophobicContact CD1-CD1 3.06Å; F461-I504 HydrophobicContact CD1-CG1 4.47Å; F461-I504 HydrophobicContact CD2-CD1 4.23Å; F461-I504 HydrophobicContact CE1-CD1 3.57Å; F461-I504 HydrophobicContact CE1-CG2 4.4Å; F461-I504 HydrophobicContact CG-CD1 3.44Å; F461-I504 VanDerWaalsContact CG-CD1 3.44Å; F461-I504 HydrophobicContact CZ-CD1 4.34Å
462	M	96.9	Very high	94.4	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.068	C	C	.	.			trans	-123.9	-8.5	-176.5	-64.3	-179.5	67.7	0	0	114.4	A135 G442 S464 H478 N480 S481 M482	A135-M462 VanDerWaalsContact C-SD 3.51Å; G442-M462 PolarHBondContact O-N 3.17Å; G442-M462 VanDerWaalsContact O-N 3.14Å; M462-S464 VanDerWaalsContact C-N 3.31Å; M462-H478 HydrophobicContact CE-CB 3.56Å; M462-N480 CarbonylContact O-C 3.56Å; M462-N480 WeakPolarHBondContact O-CA 3.36Å; M462-N480 WeakPolarHBondContact O-CB 3.38Å; M462-S481 PolarHBondContact O-N 3.12Å; M462-S481 PolarHBondContact O-OG 2.72Å; M462-S481 VanDerWaalsContact O-OG 3.13Å; M462-M482 VanDerWaalsContact C-SD 3.55Å
463	G	94	Very high	94.7	Very high	3 Å²	3	11.3 Å²	11.3	3%	0.031	7%	0.07	C	C	.	.	S	Bend	trans	94.9	-23.3	-179.3	0	0	0	0	0	113.5	I441 S481 M482 Q484	I441-G463 CarbonylContact O-C 3.44Å; I441-G463 VanDerWaalsContact O-CA 3.25Å; I441-G463 WeakPolarHBondContact O-CA 3.1Å; I441-G463 PolarHBondContact O-N 2.96Å; G463-S481 VanDerWaalsContact C-OG 3.31Å; G463-M482 WeakPolarHBondContact CA-SD 3.43Å; G463-M482 PolarHBondContact N-SD 2.82Å; G463-Q484 PolarHBondContact O-NE2 3.45Å; G463-Q484 VanDerWaalsContact O-NE2 3.11Å
464	S	92.4	Very high	95.1	Very high	26 Å²	26	12.7 Å²	12.7	18%	0.182	9%	0.087	C	C	.	.	S	Bend	trans	-160.7	161.9	165.8	45.2	0	0	0	0	109.5	I441 M462 F466 G467 S481 Q484	I441-S464 PolarHBondContact O-N 3.21Å; I441-S464 VanDerWaalsContact O-N 3.11Å; M462-S464 VanDerWaalsContact C-N 3.31Å; S464-F466 PolarHBondContact O-N 2.87Å; S464-G467 WeakPolarHBondContact O-CA 3.15Å; S464-G467 PolarHBondContact O-N 2.91Å; S464-G467 PolarHBondContact OG-O 3.4Å; S464-S481 PolarHBondContact N-OG 2.98Å; S464-S481 PolarHBondContact OG-OG 2.95Å; S464-Q484 PolarHBondContact OG-NE2 3.18Å
465	P	92.1	Very high	95.2	Very high	38 Å²	38	12 Å²	12	25%	0.247	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	128.8	171.6	-29.3	36.2	0	0	0	111.9	D133 S440 G467	D133-P465 CarbonylContact O-C 3.3Å; D133-P465 WeakPolarHBondContact O-CA 3.44Å; S440-P465 WeakPolarHBondContact O-CD 3.39Å; P465-G467 PolarHBondContact O-N 2.86Å
466	F	94.3	Very high	95.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	19.7	-174.3	-59.1	-96.9	0	0	0	114.8	P132 D133 L223 A226 A227 L230 L239 I242 L243 L246 S464 G469	P132-F466 HydrophobicContact CB-CD1 4.49Å; P132-F466 HydrophobicContact CB-CE1 4.38Å; P132-F466 HydrophobicContact CG-CE1 4.13Å; D133-F466 HydrophobicContact CB-CD2 3.89Å; D133-F466 HydrophobicContact CB-CE1 4.35Å; D133-F466 HydrophobicContact CB-CE2 3.53Å; D133-F466 HydrophobicContact CB-CG 4.48Å; D133-F466 HydrophobicContact CB-CZ 3.79Å; D133-F466 PolarHBondContact O-N 2.86Å; L223-F466 HydrophobicContact CD1-CE1 4.34Å; L223-F466 HydrophobicContact CD1-CZ 3.86Å; A226-F466 HydrophobicContact CB-CE2 4.19Å; A227-F466 HydrophobicContact CB-CZ 4.31Å; L230-F466 HydrophobicContact CD1-CB 4.11Å; L230-F466 HydrophobicContact CD1-CD2 3.18Å; L230-F466 HydrophobicContact CD1-CE2 3.71Å; L230-F466 HydrophobicContact CD1-CG 3.83Å; L230-F466 HydrophobicContact CG-CD2 4.28Å; L239-F466 HydrophobicContact CD1-CB 3.75Å; L239-F466 HydrophobicContact CD1-CG 4.17Å; L239-F466 HydrophobicContact CD2-CB 4.38Å; I242-F466 HydrophobicContact CG2-CE1 4.36Å; L243-F466 HydrophobicContact CD2-CE1 4.46Å; L243-F466 HydrophobicContact CD2-CZ 4.16Å; L246-F466 HydrophobicContact CD1-CE1 4.25Å; L246-F466 HydrophobicContact CD1-CZ 4.11Å; S464-F466 PolarHBondContact O-N 2.87Å; F466-G469 PolarHBondContact O-N 3.21Å
467	G	94.4	Very high	95.1	Very high	4 Å²	4	12.2 Å²	12.2	4%	0.041	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	-134.4	-179.7	0	0	0	0	0	112.3	S464 P465 G469 L479	S464-G467 WeakPolarHBondContact O-CA 3.15Å; S464-G467 PolarHBondContact O-N 2.91Å; S464-G467 PolarHBondContact OG-O 3.4Å; P465-G467 PolarHBondContact O-N 2.86Å; G467-G469 PolarHBondContact O-N 3.21Å; G467-L479 CarbonylContact C-O 3.58Å; G467-L479 VanDerWaalsContact CA-O 3.31Å; G467-L479 WeakPolarHBondContact CA-O 3.34Å
468	N	92.6	Very high	95	Very high	16 Å²	16	12.7 Å²	12.7	9%	0.086	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	2.3	177.5	83.3	-12.8	0	0	0	113.4	P177 V181 Q470 L479	P177-N468 VanDerWaalsContact C-ND2 3.33Å; P177-N468 HydrophobicContact CB-CB 4.21Å; P177-N468 PolarHBondContact O-ND2 3.17Å; V181-N468 WeakPolarHBondContact CG2-ND2 3.41Å; N468-Q470 PolarHBondContact ND2-OE1 3.26Å; N468-Q470 WeakPolarHBondContact OD1-CA 3.34Å; N468-Q470 VanDerWaalsContact OD1-CB 3.26Å; N468-Q470 WeakPolarHBondContact OD1-CB 3.47Å; N468-Q470 PolarHBondContact OD1-N 3.43Å; N468-L479 PolarHBondContact N-O 2.94Å; N468-L479 WeakPolarHBondContact OD1-CB 3.28Å; N468-L479 PolarHBondContact OD1-O 3.35Å
469	G	91.5	Very high	95	Very high	4 Å²	4	12.7 Å²	12.7	4%	0.041	9%	0.088	C	C	.	.	S	Bend	trans	81.8	5.2	-177.8	0	0	0	0	0	115.6	F238 L239 F466 G467	F238-G469 WeakPolarHBondContact CB-O 3.35Å; L239-G469 WeakPolarHBondContact CD2-O 3.49Å; L239-G469 VanDerWaalsContact CG-O 3.31Å; L239-G469 WeakPolarHBondContact CG-O 3.47Å; F466-G469 PolarHBondContact O-N 3.21Å; G467-G469 PolarHBondContact O-N 3.21Å
470	Q	93.1	Very high	95	Very high	4 Å²	4	12.7 Å²	12.7	2%	0.019	9%	0.088	C	C	.	.			trans	-108.4	148.7	177.7	-56.8	-178	-64.6	0	0	111.3	P177 F238 Y289 N468 H478 L479	P177-Q470 HydrophobicContact CB-CG 4.5Å; F238-Q470 HydrophobicContact CD2-CG 4.16Å; Y289-Q470 HydrophobicContact CE1-CB 4.42Å; Y289-Q470 PolarHBondContact OH-NE2 3.47Å; N468-Q470 PolarHBondContact ND2-OE1 3.26Å; N468-Q470 WeakPolarHBondContact OD1-CA 3.34Å; N468-Q470 VanDerWaalsContact OD1-CB 3.26Å; N468-Q470 WeakPolarHBondContact OD1-CB 3.47Å; N468-Q470 PolarHBondContact OD1-N 3.43Å; Q470-H478 WeakPolarHBondContact O-CA 3.21Å; Q470-L479 HydrophobicContact CB-CD1 4.18Å; Q470-L479 PolarHBondContact O-N 2.99Å
471	I	94.3	Very high	94.9	Very high	40 Å²	40	12.6 Å²	12.6	21%	0.205	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.7	173.7	-56.1	172.5	0	0	0	106.9	I242 P473 V477 H478	I242-I471 HydrophobicContact CD1-CD1 3.34Å; I242-I471 HydrophobicContact CG1-CD1 4.3Å; I471-P473 VanDerWaalsContact O-CD 3.25Å; I471-P473 WeakPolarHBondContact O-CD 3.08Å; I471-V477 WeakPolarHBondContact CA-O 3.4Å; I471-H478 WeakPolarHBondContact CD1-NE2 3.39Å
472	V	95.2	Very high	94.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	117.8	177.5	177.6	0	0	0	0	108.8	F286 Y289 G474 T475 V477 L479	F286-V472 HydrophobicContact CB-CG1 4.32Å; F286-V472 HydrophobicContact CD2-CB 4.49Å; F286-V472 HydrophobicContact CD2-CG1 4.36Å; F286-V472 HydrophobicContact CD2-CG2 3.75Å; F286-V472 HydrophobicContact CE2-CG2 3.9Å; Y289-V472 HydrophobicContact CD1-CB 4.44Å; Y289-V472 HydrophobicContact CD1-CG1 4.48Å; Y289-V472 HydrophobicContact CD1-CG2 4.05Å; V472-G474 PolarHBondContact O-N 2.86Å; V472-T475 HydrophobicContact CB-CG2 4.23Å; V472-T475 WeakPolarHBondContact CB-OG1 3.11Å; V472-T475 HydrophobicContact CG1-CG2 3.71Å; V472-T475 PolarHBondContact O-N 3.2Å; V472-T475 PolarHBondContact O-OG1 2.92Å; V472-V477 PolarHBondContact N-O 3.18Å; V472-L479 HydrophobicContact CG2-CD1 4.09Å; V472-L479 HydrophobicContact CG2-CD2 3.55Å; V472-L479 HydrophobicContact CG2-CG 3.83Å
473	P	94.4	Very high	94.8	Very high	72 Å²	72	12.9 Å²	12.9	47%	0.468	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	135.2	-175.7	-27.1	35.8	0	0	0	112.5	Y289 I471 T475	Y289-P473 HydrophobicContact CD2-CG 3.68Å; Y289-P473 HydrophobicContact CE2-CG 3.73Å; Y289-P473 HydrophobicContact CG-CG 4.39Å; I471-P473 VanDerWaalsContact O-CD 3.25Å; I471-P473 WeakPolarHBondContact O-CD 3.08Å; P473-T475 VanDerWaalsContact C-N 3.3Å; P473-T475 PolarHBondContact O-N 2.92Å
474	G	94.5	Very high	94.7	Very high	40 Å²	40	14.9 Å²	14.9	41%	0.412	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	-0.4	179.2	0	0	0	0	0	115.7	V472	V472-G474 PolarHBondContact O-N 2.86Å
475	T	96.1	Very high	94.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118	-24.3	-175.9	73.7	0	0	0	0	114.8	E258 T262 F282 Q285 V472 P473 V477	E258-T475 CarbonylContact C-O 3.5Å; T262-T475 WeakPolarHBondContact CB-O 3.5Å; T262-T475 PolarHBondContact OG1-O 3.25Å; F282-T475 HydrophobicContact CD2-CG2 3.54Å; F282-T475 HydrophobicContact CE2-CG2 3.77Å; Q285-T475 HydrophobicContact CB-CG2 4.11Å; V472-T475 HydrophobicContact CB-CG2 4.23Å; V472-T475 WeakPolarHBondContact CB-OG1 3.11Å; V472-T475 HydrophobicContact CG1-CG2 3.71Å; V472-T475 PolarHBondContact O-N 3.2Å; V472-T475 PolarHBondContact O-OG1 2.92Å; P473-T475 VanDerWaalsContact C-N 3.3Å; P473-T475 PolarHBondContact O-N 2.92Å; T475-V477 PolarHBondContact O-N 2.04Å; T475-V477 WeakPolarHBondContact OG1-CB 3.33Å; T475-V477 PolarHBondContact OG1-N 3.47Å
476	G	95	Very high	94.9	Very high	5 Å²	5	12.7 Å²	12.7	5%	0.052	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	9.4	-171.3	0	0	0	0	0	114.5
477	V	97.1	Very high	94.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	118.9	-178	178.5	0	0	0	0	110.7	L137 G138 T262 F282 I471 V472 T475	L137-V477 HydrophobicContact CB-CG1 4.39Å; L137-V477 HydrophobicContact CB-CG2 4.15Å; L137-V477 HydrophobicContact CD1-CG2 4.33Å; G138-V477 VanDerWaalsContact CA-CG1 3.5Å; G138-V477 VanDerWaalsContact N-CG1 3.34Å; T262-V477 HydrophobicContact CG2-CG2 4.13Å; F282-V477 HydrophobicContact CE2-CG2 3.82Å; F282-V477 HydrophobicContact CZ-CG2 4.39Å; I471-V477 WeakPolarHBondContact CA-O 3.4Å; V472-V477 PolarHBondContact N-O 3.18Å; T475-V477 PolarHBondContact O-N 2.04Å; T475-V477 WeakPolarHBondContact OG1-CB 3.33Å; T475-V477 PolarHBondContact OG1-N 3.47Å
478	H	96.3	Very high	94.1	Very high	11 Å²	11	19.8 Å²	19.8	5%	0.051	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	139.5	172.1	-69.9	-119.3	0	0	0	110.2	S136 G138 I242 M462 Q470 I471	S136-H478 WeakPolarHBondContact OG-CB 3.36Å; S136-H478 PolarHBondContact OG-N 2.71Å; S136-H478 VanDerWaalsContact OG-N 3.14Å; S136-H478 PolarHBondContact OG-O 3.2Å; G138-H478 WeakPolarHBondContact CA-O 3.46Å; I242-H478 WeakPolarHBondContact CD1-NE2 3.35Å; M462-H478 HydrophobicContact CE-CB 3.56Å; Q470-H478 WeakPolarHBondContact O-CA 3.21Å; I471-H478 WeakPolarHBondContact CD1-NE2 3.39Å
479	L	97	Very high	93.5	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-85.8	131.3	177.3	-66.2	177	0	0	0	110.7	V181 F286 Y289 M290 G467 N468 Q470 V472	V181-L479 HydrophobicContact CG1-CB 4.42Å; V181-L479 HydrophobicContact CG1-CD2 4.16Å; V181-L479 HydrophobicContact CG2-CB 3.98Å; V181-L479 HydrophobicContact CG2-CD1 4.23Å; F286-L479 HydrophobicContact CE2-CD2 3.57Å; F286-L479 HydrophobicContact CZ-CD2 3.67Å; Y289-L479 HydrophobicContact CD1-CD1 4.27Å; Y289-L479 HydrophobicContact CE1-CD1 3.93Å; M290-L479 HydrophobicContact SD-CD1 3.59Å; M290-L479 VanDerWaalsContact SD-CD1 3.59Å; M290-L479 HydrophobicContact SD-CD2 4.32Å; G467-L479 CarbonylContact C-O 3.58Å; G467-L479 VanDerWaalsContact CA-O 3.31Å; G467-L479 WeakPolarHBondContact CA-O 3.34Å; N468-L479 PolarHBondContact N-O 2.94Å; N468-L479 WeakPolarHBondContact OD1-CB 3.28Å; N468-L479 PolarHBondContact OD1-O 3.35Å; Q470-L479 HydrophobicContact CB-CD1 4.18Å; Q470-L479 PolarHBondContact O-N 2.99Å; V472-L479 HydrophobicContact CG2-CD1 4.09Å; V472-L479 HydrophobicContact CG2-CD2 3.55Å; V472-L479 HydrophobicContact CG2-CG 3.83Å
480	N	97.6	Very high	93.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-66.4	167.1	172.2	72.7	81.3	0	0	0	111.4	G138 V181 G182 M462 M482	G138-N480 WeakPolarHBondContact O-CB 3.2Å; G138-N480 PolarHBondContact O-ND2 3.48Å; V181-N480 WeakPolarHBondContact CG2-O 3.46Å; G182-N480 PolarHBondContact N-OD1 3.48Å; G182-N480 PolarHBondContact O-ND2 2.69Å; M462-N480 CarbonylContact O-C 3.56Å; M462-N480 WeakPolarHBondContact O-CA 3.36Å; M462-N480 WeakPolarHBondContact O-CB 3.38Å; N480-M482 HydrophobicContact CB-CG 4.18Å; N480-M482 WeakPolarHBondContact OD1-CG 3.46Å; N480-M482 PolarHBondContact OD1-N 3.48Å
481	S	96	Very high	93.5	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.159	C	C	.	.			trans	-127.4	29.2	178.4	55.8	0	0	0	0	111.1	L180 M462 G463 S464 L483 Q484	L180-S481 CarbonylContact O-C 3.45Å; L180-S481 VanDerWaalsContact O-CA 3.29Å; L180-S481 WeakPolarHBondContact O-CA 3.13Å; M462-S481 PolarHBondContact O-N 3.12Å; M462-S481 PolarHBondContact O-OG 2.72Å; M462-S481 VanDerWaalsContact O-OG 3.13Å; G463-S481 VanDerWaalsContact C-OG 3.31Å; S464-S481 PolarHBondContact N-OG 2.98Å; S464-S481 PolarHBondContact OG-OG 2.95Å; S481-L483 VanDerWaalsContact C-N 3.28Å; S481-L483 PolarHBondContact O-N 3.09Å; S481-Q484 WeakPolarHBondContact O-CB 3.44Å; S481-Q484 WeakPolarHBondContact O-CG 3.35Å; S481-Q484 PolarHBondContact O-N 3.19Å; S481-Q484 PolarHBondContact O-NE2 2.93Å; S481-Q484 VanDerWaalsContact O-NE2 3.12Å; S481-Q484 PolarHBondContact OG-NE2 3.06Å
482	M	96.2	Very high	93.6	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-59.8	-33.7	-170.8	-71.1	-53.7	-66	0	0	114.2	C140 C160 L180 F461 M462 G463 N480 Q484 L485 P500 I502	C140-M482 WeakPolarHBondContact SG-CG 3.48Å; C160-M482 HydrophobicContact CB-CB 4.2Å; C160-M482 HydrophobicContact CB-CG 3.91Å; L180-M482 PolarHBondContact O-N 2.75Å; L180-M482 VanDerWaalsContact O-N 3.17Å; F461-M482 HydrophobicContact CD2-CE 3.6Å; F461-M482 HydrophobicContact CD2-SD 3.76Å; F461-M482 HydrophobicContact CE2-CE 3.67Å; F461-M482 HydrophobicContact CE2-SD 4.33Å; M462-M482 VanDerWaalsContact C-SD 3.55Å; G463-M482 WeakPolarHBondContact CA-SD 3.43Å; G463-M482 PolarHBondContact N-SD 2.82Å; N480-M482 HydrophobicContact CB-CG 4.18Å; N480-M482 WeakPolarHBondContact OD1-CG 3.46Å; N480-M482 PolarHBondContact OD1-N 3.48Å; M482-Q484 PolarHBondContact O-N 3.17Å; M482-Q484 VanDerWaalsContact O-N 3.1Å; M482-L485 HydrophobicContact CE-CD1 3.59Å; M482-L485 VanDerWaalsContact O-CB 3.28Å; M482-L485 WeakPolarHBondContact O-CB 3.4Å; M482-L485 WeakPolarHBondContact O-CG 3.38Å; M482-L485 PolarHBondContact O-N 2.64Å; M482-L485 HydrophobicContact SD-CD1 4.35Å; M482-P500 WeakPolarHBondContact O-CG 3.49Å; M482-I502 HydrophobicContact CE-CD1 3.47Å; M482-I502 VanDerWaalsContact CE-CD1 3.47Å; M482-I502 HydrophobicContact CE-CG1 3.61Å; M482-I502 HydrophobicContact CE-CG2 4.39Å
483	L	95.9	Very high	93.6	Very high	7 Å²	7	31.1 Å²	31.1	4%	0.037	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-69.3	-13.4	-174.5	-47.1	-174.3	0	0	0	112	V162 P172 L180 V181 S481 L485 F486 F494	V162-L483 HydrophobicContact CG2-CD1 4.26Å; V162-L483 HydrophobicContact CG2-CD2 3.83Å; P172-L483 HydrophobicContact CB-CB 4.29Å; P172-L483 HydrophobicContact CG-CB 3.64Å; P172-L483 VanDerWaalsContact CG-O 3.27Å; P172-L483 WeakPolarHBondContact CG-O 3.23Å; L180-L483 WeakPolarHBondContact O-CB 3.41Å; L180-L483 WeakPolarHBondContact O-CG 3.4Å; L180-L483 PolarHBondContact O-N 3.43Å; V181-L483 VanDerWaalsContact O-CD1 3.24Å; V181-L483 WeakPolarHBondContact O-CD1 3.16Å; S481-L483 VanDerWaalsContact C-N 3.28Å; S481-L483 PolarHBondContact O-N 3.09Å; L483-L485 PolarHBondContact O-N 2.83Å; L483-F486 HydrophobicContact CB-CD2 4.22Å; L483-F486 HydrophobicContact CB-CE2 4.37Å; L483-F486 HydrophobicContact CD2-CE2 3.99Å; L483-F486 WeakPolarHBondContact O-CD2 3.5Å; L483-F486 PolarHBondContact O-N 3.21Å; L483-F494 HydrophobicContact CD1-CE2 4.36Å
484	Q	93.4	Very high	93.7	Very high	44 Å²	44	28.8 Å²	28.8	21%	0.206	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-62.2	-20	171	86.4	-178.4	-72.7	0	0	113.2	L180 G463 S464 S481 M482 F486	L180-Q484 HydrophobicContact CD2-CB 4.15Å; G463-Q484 PolarHBondContact O-NE2 3.45Å; G463-Q484 VanDerWaalsContact O-NE2 3.11Å; S464-Q484 PolarHBondContact OG-NE2 3.18Å; S481-Q484 WeakPolarHBondContact O-CB 3.44Å; S481-Q484 WeakPolarHBondContact O-CG 3.35Å; S481-Q484 PolarHBondContact O-N 3.19Å; S481-Q484 PolarHBondContact O-NE2 2.93Å; S481-Q484 VanDerWaalsContact O-NE2 3.12Å; S481-Q484 PolarHBondContact OG-NE2 3.06Å; M482-Q484 PolarHBondContact O-N 3.17Å; M482-Q484 VanDerWaalsContact O-N 3.1Å; Q484-F486 VanDerWaalsContact C-N 3.26Å; Q484-F486 PolarHBondContact O-N 3.46Å
485	L	94.1	Very high	93.7	Very high	12 Å²	12	27.6 Å²	27.6	6%	0.063	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-77.8	-7.3	-178.8	-58.8	-176.1	0	0	0	113.4	T434 I441 M482 L483 N492 P500 I502	T434-L485 HydrophobicContact CG2-CD2 3.33Å; I441-L485 HydrophobicContact CG2-CD2 4.28Å; M482-L485 HydrophobicContact CE-CD1 3.59Å; M482-L485 VanDerWaalsContact O-CB 3.28Å; M482-L485 WeakPolarHBondContact O-CB 3.4Å; M482-L485 WeakPolarHBondContact O-CG 3.38Å; M482-L485 PolarHBondContact O-N 2.64Å; M482-L485 HydrophobicContact SD-CD1 4.35Å; L483-L485 PolarHBondContact O-N 2.83Å; L485-N492 PolarHBondContact O-ND2 2.87Å; L485-P500 HydrophobicContact CB-CB 3.77Å; L485-P500 HydrophobicContact CB-CG 4.07Å; L485-I502 HydrophobicContact CD1-CG1 4.13Å
486	F	94.7	Very high	93.8	Very high	6 Å²	6	30.9 Å²	30.9	3%	0.026	16%	0.161	C	C	.	.			trans	-65.4	154.8	168.7	-76.9	-63.7	0	0	0	111.8	V162 P172 K433 L483 Q484 N492 K493 F494 R498 P500	V162-F486 HydrophobicContact CG2-CE2 3.42Å; V162-F486 VanDerWaalsContact CG2-CE2 3.42Å; V162-F486 HydrophobicContact CG2-CZ 3.73Å; P172-F486 HydrophobicContact CG-CD2 4.33Å; K433-F486 PolarHBondContact NZ-O 3.13Å; L483-F486 HydrophobicContact CB-CD2 4.22Å; L483-F486 HydrophobicContact CB-CE2 4.37Å; L483-F486 HydrophobicContact CD2-CE2 3.99Å; L483-F486 WeakPolarHBondContact O-CD2 3.5Å; L483-F486 PolarHBondContact O-N 3.21Å; Q484-F486 VanDerWaalsContact C-N 3.26Å; Q484-F486 PolarHBondContact O-N 3.46Å; F486-N492 WeakPolarHBondContact CD1-O 3.01Å; F486-N492 WeakPolarHBondContact CD1-OD1 3.2Å; F486-K493 WeakPolarHBondContact CE1-O 3.4Å; F486-F494 HydrophobicContact CD2-CB 4.22Å; F486-F494 HydrophobicContact CD2-CD2 4.09Å; F486-F494 HydrophobicContact CE2-CD2 4.04Å; F486-F494 HydrophobicContact CG-CB 4.33Å; F486-R498 HydrophobicContact CE1-CG 4.09Å; F486-R498 HydrophobicContact CZ-CB 4.42Å; F486-R498 HydrophobicContact CZ-CG 4.28Å; F486-P500 HydrophobicContact CD1-CB 3.81Å; F486-P500 HydrophobicContact CD2-CB 4.07Å; F486-P500 VanDerWaalsContact CE1-CA 3.44Å; F486-P500 HydrophobicContact CE1-CB 3.85Å; F486-P500 HydrophobicContact CE2-CB 4.08Å; F486-P500 HydrophobicContact CE2-CG 4.39Å; F486-P500 HydrophobicContact CG-CB 3.93Å; F486-P500 HydrophobicContact CZ-CB 3.99Å; F486-P500 HydrophobicContact CZ-CG 4.44Å
487	S	88.1	Confident	93.8	Very high	21 Å²	21	31.9 Å²	31.9	15%	0.147	17%	0.172	C	C	.	.			trans	-120.7	163.5	172.5	70.4	0	0	0	0	110.4	T489 N492 K493	S487-T489 VanDerWaalsContact C-N 3.26Å; S487-T489 PolarHBondContact O-N 2.92Å; S487-T489 PolarHBondContact OG-O 2.97Å; S487-N492 CarbonylContact C-O 3.59Å; S487-N492 PolarHBondContact N-O 2.88Å; S487-N492 PolarHBondContact OG-O 2.61Å; S487-K493 WeakPolarHBondContact O-CA 3.48Å
488	E	82.4	Confident	93.8	Very high	133 Å²	133	32.9 Å²	32.9	62%	0.621	18%	0.175	S	C	*	.	S	Bend	trans	-87	2.6	177.4	-63.7	-56.9	142.1	0	0	112.7	K493	E488-K493 VanDerWaalsContact O-CE 3.29Å; E488-K493 WeakPolarHBondContact O-CE 3.11Å
489	T	80.4	Confident	93.9	Very high	83 Å²	83	33.1 Å²	33.1	51%	0.509	18%	0.176	S	C	.	.	S	Bend	trans	-125.3	163.7	-171.2	62.6	0	0	0	0	111.5	S487	S487-T489 VanDerWaalsContact C-N 3.26Å; S487-T489 PolarHBondContact O-N 2.92Å; S487-T489 PolarHBondContact OG-O 2.97Å
490	K	89.3	Confident	93.8	Very high	76 Å²	76	33.1 Å²	33.1	33%	0.33	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	-141.6	175.2	-51.9	-176.1	-173.5	179.2	0	112.5	T383 T384 D430 K493	T383-K490 WeakPolarHBondContact O-CD 3.31Å; T383-K490 PolarHBondContact OG1-NZ 2.97Å; T384-K490 HydrophobicContact CG2-CD 4.36Å; D430-K490 WeakPolarHBondContact OD2-CE 3.39Å; D430-K490 IonicContact OD2-NZ 3.82Å; D430-K490 PolarHBondContact OD2-NZ 3.12Å; K490-K493 VanDerWaalsContact O-CE 3.31Å; K490-K493 WeakPolarHBondContact O-CE 3.39Å
491	L	95.8	Very high	93.8	Very high	38 Å²	38	33.4 Å²	33.4	20%	0.199	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-11.3	-175.5	-59.8	179	0	0	0	113.5	I393 A396 A397 A400 K493	I393-L491 HydrophobicContact CD1-CB 4.35Å; A396-L491 HydrophobicContact CB-CD1 4.14Å; A396-L491 HydrophobicContact CB-CD2 3.94Å; A397-L491 HydrophobicContact CB-CD1 4.23Å; A400-L491 HydrophobicContact CB-CD1 4.3Å; L491-K493 PolarHBondContact O-N 3.15Å; L491-K493 VanDerWaalsContact O-N 3.09Å
492	N	95.7	Very high	93.7	Very high	9 Å²	9	33.4 Å²	33.4	5%	0.048	18%	0.177	C	C	.	.			trans	-86.9	48.8	179.7	-173.1	31	0	0	0	112.3	L485 F486 S487 P500 L501	L485-N492 PolarHBondContact O-ND2 2.87Å; F486-N492 WeakPolarHBondContact CD1-O 3.01Å; F486-N492 WeakPolarHBondContact CD1-OD1 3.2Å; S487-N492 CarbonylContact C-O 3.59Å; S487-N492 PolarHBondContact N-O 2.88Å; S487-N492 PolarHBondContact OG-O 2.61Å; N492-P500 WeakPolarHBondContact OD1-CA 3.23Å; N492-L501 HydrophobicContact CB-CD1 3.74Å; N492-L501 HydrophobicContact CB-CG 3.71Å; N492-L501 VanDerWaalsContact CG-CG 3.49Å; N492-L501 PolarHBondContact OD1-N 3.31Å
493	K	95.2	Very high	93.7	Very high	95 Å²	95	33.4 Å²	33.4	41%	0.413	18%	0.177	S	C	.	.			trans	-99.7	145.9	-179.6	-65.8	-177.9	-179	-173.9	0	111.2	F486 S487 E488 K490 L491 A495 R498	F486-K493 WeakPolarHBondContact CE1-O 3.4Å; S487-K493 WeakPolarHBondContact O-CA 3.48Å; E488-K493 VanDerWaalsContact O-CE 3.29Å; E488-K493 WeakPolarHBondContact O-CE 3.11Å; K490-K493 VanDerWaalsContact O-CE 3.31Å; K490-K493 WeakPolarHBondContact O-CE 3.39Å; L491-K493 PolarHBondContact O-N 3.15Å; L491-K493 VanDerWaalsContact O-N 3.09Å; K493-A495 PolarHBondContact O-N 2.86Å; K493-R498 WeakPolarHBondContact O-CD 3.44Å; K493-R498 PolarHBondContact O-NH1 3.36Å
494	F	96.2	Very high	93.6	Very high	23 Å²	23	33.2 Å²	33.2	10%	0.101	18%	0.176	C	C	.	.			trans	-55.6	132.7	172.9	177.8	-92.6	0	0	0	111.9	V162 A166 D170 K171 P172 L483 F486	V162-F494 HydrophobicContact CB-CE2 4.27Å; V162-F494 HydrophobicContact CG1-CD2 4.29Å; V162-F494 HydrophobicContact CG1-CE2 3.51Å; V162-F494 HydrophobicContact CG1-CZ 3.65Å; V162-F494 HydrophobicContact CG2-CD2 3.68Å; V162-F494 HydrophobicContact CG2-CE2 3.62Å; V162-F494 HydrophobicContact CG2-CZ 4.5Å; A166-F494 HydrophobicContact CB-CZ 4.01Å; D170-F494 HydrophobicContact CB-CZ 4.08Å; K171-F494 HydrophobicContact CG-CD1 3.61Å; K171-F494 HydrophobicContact CG-CE1 3.94Å; K171-F494 HydrophobicContact CG-CG 4.15Å; P172-F494 VanDerWaalsContact CD-CD2 3.44Å; P172-F494 HydrophobicContact CG-CD2 3.87Å; P172-F494 HydrophobicContact CG-CE2 4.32Å; L483-F494 HydrophobicContact CD1-CE2 4.36Å; F486-F494 HydrophobicContact CD2-CB 4.22Å; F486-F494 HydrophobicContact CD2-CD2 4.09Å; F486-F494 HydrophobicContact CE2-CD2 4.04Å; F486-F494 HydrophobicContact CG-CB 4.33Å
495	A	96.2	Very high	93.4	Very high	16 Å²	16	31.2 Å²	31.2	13%	0.132	17%	0.168	C	C	.	.			trans	-159.5	155.3	171.2	0	0	0	0	0	110	V162 K493 G497 R498	V162-A495 VanDerWaalsContact CB-O 3.25Å; V162-A495 WeakPolarHBondContact CB-O 3.49Å; V162-A495 WeakPolarHBondContact CG1-O 3.31Å; V162-A495 WeakPolarHBondContact CG2-O 3.1Å; K493-A495 PolarHBondContact O-N 2.86Å; A495-G497 PolarHBondContact O-N 3.34Å; A495-R498 HydrophobicContact CB-CB 4.12Å; A495-R498 VanDerWaalsContact CB-CZ 3.48Å; A495-R498 WeakPolarHBondContact O-CB 3.02Å; A495-R498 PolarHBondContact O-N 3.46Å
496	P	96.3	Very high	93.5	Very high	69 Å²	69	30.7 Å²	30.7	45%	0.448	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	135.9	177	-24.7	35.1	0	0	0	112.5	A166 R498	A166-P496 WeakPolarHBondContact O-CG 3.49Å; P496-R498 PolarHBondContact O-N 2.82Å
497	G	96.2	Very high	93.6	Very high	26 Å²	26	30.4 Å²	30.4	27%	0.268	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	-15.1	-179.5	0	0	0	0	0	115.7	V162 N164 A495	V162-G497 VanDerWaalsContact O-CA 3.23Å; V162-G497 WeakPolarHBondContact O-CA 3.47Å; V162-G497 PolarHBondContact O-N 2.99Å; V162-G497 VanDerWaalsContact O-N 3.13Å; N164-G497 VanDerWaalsContact OD1-CA 3.24Å; N164-G497 WeakPolarHBondContact OD1-CA 3.4Å; A495-G497 PolarHBondContact O-N 3.34Å
498	R	97.2	Very high	94	Very high	20 Å²	20	29.4 Å²	29.4	8%	0.075	16%	0.157	C	C	.	.			trans	-75	149.9	-177.3	-173.6	-179.8	-72.1	158.5	7.6	111.8	V162 D387 D390 T392 I393 F486 K493 A495 P496	V162-R498 WeakPolarHBondContact CG2-O 3.48Å; V162-R498 PolarHBondContact N-O 2.92Å; D387-R498 HydrophobicContact CB-CG 4.01Å; D390-R498 HydrophobicContact CB-CG 4.48Å; D390-R498 IonicContact OD2-CZ 3.53Å; D390-R498 IonicContact OD2-NE 3.76Å; D390-R498 PolarHBondContact OD2-NE 3.14Å; D390-R498 IonicContact OD2-NH2 3.39Å; D390-R498 PolarHBondContact OD2-NH2 3.1Å; T392-R498 PolarHBondContact OG1-NH2 3.33Å; I393-R498 VanDerWaalsContact CG2-NH2 3.34Å; F486-R498 HydrophobicContact CE1-CG 4.09Å; F486-R498 HydrophobicContact CZ-CB 4.42Å; F486-R498 HydrophobicContact CZ-CG 4.28Å; K493-R498 WeakPolarHBondContact O-CD 3.44Å; K493-R498 PolarHBondContact O-NH1 3.36Å; A495-R498 HydrophobicContact CB-CB 4.12Å; A495-R498 VanDerWaalsContact CB-CZ 3.48Å; A495-R498 WeakPolarHBondContact O-CB 3.02Å; A495-R498 PolarHBondContact O-N 3.46Å; P496-R498 PolarHBondContact O-N 2.82Å
499	R	97.3	Very high	94.4	Very high	17 Å²	17	23.7 Å²	23.7	6%	0.064	13%	0.13	C	C	.	.			trans	-104.5	143.5	171.2	-60.6	168.8	-77.6	174.6	8.7	111.4	D157 T159 P161 D308 P328 D387 S389	D157-R499 IonicContact OD1-NH1 3.75Å; D157-R499 PolarHBondContact OD1-NH1 3.13Å; D157-R499 IonicContact OD2-CZ 3.84Å; D157-R499 IonicContact OD2-NH1 3.17Å; D157-R499 PolarHBondContact OD2-NH1 3.21Å; T159-R499 WeakPolarHBondContact OG1-CD 3.24Å; P161-R499 HydrophobicContact CB-CG 3.68Å; D308-R499 IonicContact OD2-CZ 2.66Å; D308-R499 IonicContact OD2-NH1 2.95Å; D308-R499 PolarHBondContact OD2-NH1 3.42Å; D308-R499 IonicContact OD2-NH2 3.82Å; D308-R499 PolarHBondContact OD2-NH2 3.06Å; P328-R499 HydrophobicContact CB-CB 4.27Å; P328-R499 HydrophobicContact CG-CB 3.91Å; D387-R499 IonicContact OD1-CZ 2.72Å; D387-R499 IonicContact OD1-NE 3.11Å; D387-R499 PolarHBondContact OD1-NE 3.31Å; D387-R499 IonicContact OD1-NH2 2.75Å; D387-R499 PolarHBondContact OD1-NH2 3.44Å; D387-R499 VanDerWaalsContact OD2-CB 3.28Å; D387-R499 WeakPolarHBondContact OD2-CB 3.49Å; D387-R499 WeakPolarHBondContact OD2-CG 3.39Å; D387-R499 IonicContact OD2-CZ 2.86Å; D387-R499 PolarHBondContact OD2-N 2.99Å; D387-R499 IonicContact OD2-NE 3.89Å; D387-R499 PolarHBondContact OD2-NE 3.39Å; D387-R499 IonicContact OD2-NH2 2.93Å; S389-R499 PolarHBondContact OG-NH2 3.13Å
500	P	96.7	Very high	94.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.109	C	C	.	.			trans	-72.7	161.8	174.5	32.1	-35	0	0	0	110.9	P328 M482 L485 F486 N492 I502	P328-P500 WeakPolarHBondContact CB-O 3.11Å; M482-P500 WeakPolarHBondContact O-CG 3.49Å; L485-P500 HydrophobicContact CB-CB 3.77Å; L485-P500 HydrophobicContact CB-CG 4.07Å; F486-P500 HydrophobicContact CD1-CB 3.81Å; F486-P500 HydrophobicContact CD2-CB 4.07Å; F486-P500 VanDerWaalsContact CE1-CA 3.44Å; F486-P500 HydrophobicContact CE1-CB 3.85Å; F486-P500 HydrophobicContact CE2-CB 4.08Å; F486-P500 HydrophobicContact CE2-CG 4.39Å; F486-P500 HydrophobicContact CG-CB 3.93Å; F486-P500 HydrophobicContact CZ-CB 3.99Å; F486-P500 HydrophobicContact CZ-CG 4.44Å; N492-P500 WeakPolarHBondContact OD1-CA 3.23Å; P500-I502 HydrophobicContact CG-CG1 4.46Å; P500-I502 WeakPolarHBondContact O-CG1 3.42Å; P500-I502 PolarHBondContact O-N 3.36Å
501	L	96	Very high	94.7	Very high	6 Å²	6	17 Å²	17	3%	0.031	10%	0.097	C	C	.	.			trans	-66	132	168.2	-58.8	-179.9	0	0	0	110.4	P328 V330 L385 L432 N492	P328-L501 WeakPolarHBondContact O-CA 3.25Å; V330-L501 HydrophobicContact CG1-CB 3.96Å; V330-L501 HydrophobicContact CG1-CD1 4.07Å; V330-L501 HydrophobicContact CG1-CD2 3.59Å; V330-L501 HydrophobicContact CG1-CG 4.03Å; V330-L501 HydrophobicContact CG2-CB 4.12Å; L385-L501 HydrophobicContact CB-CD2 4.33Å; L432-L501 HydrophobicContact CD2-CD1 4.45Å; N492-L501 HydrophobicContact CB-CD1 3.74Å; N492-L501 HydrophobicContact CB-CG 3.71Å; N492-L501 VanDerWaalsContact CG-CG 3.49Å; N492-L501 PolarHBondContact OD1-N 3.31Å
502	I	95.4	Very high	93.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-121.1	120.9	-175	-63.5	164.1	0	0	0	108.5	T159 P328 L329 V330 F461 M482 L485 P500 I504	T159-I502 HydrophobicContact CG2-CD1 3.29Å; P328-I502 PolarHBondContact O-N 3.16Å; L329-I502 CarbonylContact C-O 3.06Å; L329-I502 WeakPolarHBondContact CA-O 3.48Å; L329-I502 HydrophobicContact CD2-CB 4.11Å; L329-I502 HydrophobicContact CD2-CG2 3.93Å; V330-I502 WeakPolarHBondContact CG2-O 3.38Å; V330-I502 PolarHBondContact N-O 3.17Å; F461-I502 HydrophobicContact CD2-CG2 4.42Å; F461-I502 HydrophobicContact CE2-CD1 4Å; F461-I502 HydrophobicContact CE2-CG2 4.01Å; F461-I502 HydrophobicContact CZ-CD1 4.46Å; F461-I502 HydrophobicContact CZ-CG2 4.11Å; M482-I502 HydrophobicContact CE-CD1 3.47Å; M482-I502 VanDerWaalsContact CE-CD1 3.47Å; M482-I502 HydrophobicContact CE-CG1 3.61Å; M482-I502 HydrophobicContact CE-CG2 4.39Å; L485-I502 HydrophobicContact CD1-CG1 4.13Å; P500-I502 HydrophobicContact CG-CG1 4.46Å; P500-I502 WeakPolarHBondContact O-CG1 3.42Å; P500-I502 PolarHBondContact O-N 3.36Å; I502-I504 HydrophobicContact CG2-CB 4.04Å; I502-I504 HydrophobicContact CG2-CD1 3.94Å; I502-I504 HydrophobicContact CG2-CG1 3.98Å; I502-I504 PolarHBondContact O-N 3.3Å
503	P	94.5	Very high	92.7	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	14%	0.136	C	C	.	.			trans	-79.9	40.4	-171.4	37.5	-41.3	0	0	0	112.8	L432 T434 I441 G527 L528	L432-P503 HydrophobicContact CD1-CB 3.89Å; T434-P503 HydrophobicContact CG2-CG 4.13Å; T434-P503 WeakPolarHBondContact OG1-CG 3.37Å; I441-P503 HydrophobicContact CD1-CG 3.84Å; I441-P503 HydrophobicContact CG2-CG 4.27Å; P503-G527 CarbonylContact O-C 3.06Å; P503-G527 WeakPolarHBondContact O-CA 3.22Å; P503-L528 HydrophobicContact CB-CD2 3.85Å; P503-L528 HydrophobicContact CB-CG 3.76Å; P503-L528 PolarHBondContact O-N 3.36Å
504	I	94.2	Very high	91.5	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.015	13%	0.132	C	C	.	.			trans	-122	145	-177	-63.3	175.4	0	0	0	108.4	L329 G331 I441 D443 N459 F461 I502	L329-I504 HydrophobicContact CD2-CB 4.27Å; G331-I504 WeakPolarHBondContact CA-O 3.36Å; G331-I504 PolarHBondContact N-O 2.96Å; I441-I504 HydrophobicContact CD1-CD1 3.47Å; I441-I504 VanDerWaalsContact CD1-CD1 3.47Å; I441-I504 HydrophobicContact CD1-CG1 3.51Å; D443-I504 HydrophobicContact CB-CD1 3.8Å; N459-I504 HydrophobicContact CB-CD1 4.5Å; N459-I504 HydrophobicContact CB-CG2 3.4Å; N459-I504 VanDerWaalsContact CB-CG2 3.4Å; F461-I504 HydrophobicContact CB-CD1 3.8Å; F461-I504 HydrophobicContact CD1-CD1 3.06Å; F461-I504 HydrophobicContact CD1-CG1 4.47Å; F461-I504 HydrophobicContact CD2-CD1 4.23Å; F461-I504 HydrophobicContact CE1-CD1 3.57Å; F461-I504 HydrophobicContact CE1-CG2 4.4Å; F461-I504 HydrophobicContact CG-CD1 3.44Å; F461-I504 VanDerWaalsContact CG-CD1 3.44Å; F461-I504 HydrophobicContact CZ-CD1 4.34Å; I502-I504 HydrophobicContact CG2-CB 4.04Å; I502-I504 HydrophobicContact CG2-CD1 3.94Å; I502-I504 HydrophobicContact CG2-CG1 3.98Å; I502-I504 PolarHBondContact O-N 3.3Å
505	G	90.4	Very high	90.2	Very high	2 Å²	2	31 Å²	31	2%	0.021	16%	0.16	C	C	.	.			trans	-157.7	95.4	175.4	0	0	0	0	0	111.5	V507	G505-V507 WeakPolarHBondContact O-CG2 3.34Å; G505-V507 PolarHBondContact O-N 3.35Å
506	P	96.2	Very high	89	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.			trans	-52.1	131.9	165.8	-22.2	31.7	0	0	0	109.5	S324 F325 V457 N459	S324-P506 WeakPolarHBondContact CB-O 3.47Å; S324-P506 PolarHBondContact OG-O 3.49Å; F325-P506 HydrophobicContact CD2-CG 4.31Å; F325-P506 HydrophobicContact CE2-CB 4.42Å; F325-P506 HydrophobicContact CE2-CG 4.04Å; V457-P506 HydrophobicContact CB-CB 4.15Å; V457-P506 HydrophobicContact CG1-CB 3.83Å; N459-P506 WeakPolarHBondContact OD1-CG 3.4Å
507	V	96.5	Very high	88	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	133.7	-178.5	-177.3	0	0	0	0	110.1	E323 I335 G505 G521 I522	E323-V507 WeakPolarHBondContact O-CA 3.16Å; I335-V507 HydrophobicContact CD1-CG2 4.09Å; I335-V507 HydrophobicContact CG2-CG2 3.59Å; G505-V507 WeakPolarHBondContact O-CG2 3.34Å; G505-V507 PolarHBondContact O-N 3.35Å; V507-G521 WeakPolarHBondContact O-CA 3.2Å; V507-I522 HydrophobicContact CB-CB 4.43Å; V507-I522 PolarHBondContact N-O 3.22Å; V507-I522 PolarHBondContact O-N 2.02Å
508	Y	95.6	Very high	87.5	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125.3	166.4	-171.4	-96.2	0	0	0	109.7	L144 R146 E323 T455 V457 R519 A520	L144-Y508 HydrophobicContact CD2-CG 4.31Å; R146-Y508 HydrophobicContact CB-CD1 4.45Å; R146-Y508 HydrophobicContact CB-CD2 4.01Å; R146-Y508 HydrophobicContact CB-CE1 4.21Å; R146-Y508 HydrophobicContact CB-CE2 3.75Å; R146-Y508 HydrophobicContact CB-CG 4.34Å; R146-Y508 HydrophobicContact CG-CD1 4.18Å; R146-Y508 HydrophobicContact CG-CD2 4.45Å; R146-Y508 HydrophobicContact CG-CE1 3.6Å; R146-Y508 HydrophobicContact CG-CE2 3.92Å; R146-Y508 VanDerWaalsContact CG-CZ 3.45Å; E323-Y508 PolarHBondContact N-O 2.87Å; E323-Y508 PolarHBondContact O-N 3.32Å; T455-Y508 HydrophobicContact CG2-CD2 4.35Å; T455-Y508 HydrophobicContact CG2-CE2 4.01Å; V457-Y508 HydrophobicContact CG2-CD2 4.3Å; Y508-R519 WeakPolarHBondContact OH-CB 3.16Å; Y508-A520 WeakPolarHBondContact CA-O 3.21Å
509	L	92	Very high	87	Confident	13 Å²	13	28.4 Å²	28.4	7%	0.068	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	142.4	174.4	85.3	103.6	0	0	0	110.3	F320 T321 L322 I518 R519 A520 I522 L656	F320-L509 HydrophobicContact CD1-CD1 3.35Å; F320-L509 HydrophobicContact CE1-CD1 3.55Å; F320-L509 HydrophobicContact CG-CD1 3.97Å; F320-L509 HydrophobicContact CZ-CD1 4.31Å; T321-L509 WeakPolarHBondContact O-CA 3.49Å; L322-L509 HydrophobicContact CD2-CB 3.73Å; L509-I518 HydrophobicContact CD1-CG2 4.1Å; L509-R519 CarbonylContact O-C 3.57Å; L509-R519 VanDerWaalsContact O-CA 3.23Å; L509-R519 WeakPolarHBondContact O-CA 3.28Å; L509-A520 HydrophobicContact CD2-CB 4Å; L509-A520 HydrophobicContact CG-CB 4.3Å; L509-A520 PolarHBondContact N-O 2.84Å; L509-A520 PolarHBondContact O-N 3.47Å; L509-I522 HydrophobicContact CD2-CD1 3.31Å; L509-I522 HydrophobicContact CD2-CG1 3.98Å; L509-L656 HydrophobicContact CD2-CD1 4.5Å
510	S	89.8	Confident	86.7	Confident	10 Å²	10	27.6 Å²	27.6	7%	0.07	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	144.8	172	60.5	0	0	0	0	112.2	F320 T321 T512 I518	F320-S510 CarbonylContact C-O 3.49Å; F320-S510 WeakPolarHBondContact CA-O 3.46Å; T321-S510 PolarHBondContact N-O 3.43Å; T321-S510 PolarHBondContact O-N 2.82Å; S510-T512 PolarHBondContact O-N 3.12Å; S510-I518 CarbonylContact C-O 3.05Å; S510-I518 WeakPolarHBondContact CA-O 3.47Å
511	A	84.9	Confident	86.6	Confident	8 Å²	8	27.6 Å²	27.6	7%	0.066	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	123.2	177.1	0	0	0	0	0	110.8	F320 H513 R514 I518 I588	F320-A511 HydrophobicContact CD1-CB 4.5Å; F320-A511 HydrophobicContact CE1-CB 4.35Å; A511-H513 PolarHBondContact O-N 3.21Å; A511-R514 HydrophobicContact CB-CB 4.23Å; A511-I518 PolarHBondContact N-O 2.78Å; A511-I588 HydrophobicContact CB-CB 4.33Å; A511-I588 HydrophobicContact CB-CG2 3.86Å
512	T	78.7	Confident	86.5	Confident	61 Å²	61	27.3 Å²	27.3	37%	0.374	14%	0.136	S	C	.	.	S	Bend	trans	-62.6	-39.8	-169.8	-58.4	0	0	0	0	113	G319 F320 T321 S510	G319-T512 WeakPolarHBondContact O-CB 3.29Å; G319-T512 PolarHBondContact O-N 3.02Å; G319-T512 PolarHBondContact O-OG1 2.86Å; G319-T512 VanDerWaalsContact O-OG1 3.11Å; F320-T512 WeakPolarHBondContact CA-OG1 3.47Å; F320-T512 PolarHBondContact O-OG1 2.84Å; T321-T512 PolarHBondContact N-OG1 3.14Å; T321-T512 VanDerWaalsContact N-OG1 3.12Å; T321-T512 PolarHBondContact OG1-OG1 2.85Å; S510-T512 PolarHBondContact O-N 3.12Å
513	H	71.6	Confident	86.4	Confident	151 Å²	151	27.4 Å²	27.4	70%	0.699	14%	0.137	S	C	*	.	S	Bend	trans	-104.9	-8.5	-174.2	-59.5	-58.8	0	0	0	114.3	A511	A511-H513 PolarHBondContact O-N 3.21Å
514	R	70.3	Confident	86.3	Confident	88 Å²	88	27.6 Å²	27.6	33%	0.332	14%	0.138	S	C	.	.			trans	-118	103.8	-174.8	-71.8	-171.9	174.3	-178	0.9	111.8	A511 C516 G517 I588 E589	A511-R514 HydrophobicContact CB-CB 4.23Å; R514-C516 PolarHBondContact O-N 3.19Å; R514-G517 PolarHBondContact O-N 2.74Å; R514-I588 PolarHBondContact NH1-O 3.26Å; R514-E589 IonicContact CZ-OE1 2.79Å; R514-E589 VanDerWaalsContact CZ-OE1 3.23Å; R514-E589 IonicContact CZ-OE2 2.73Å; R514-E589 IonicContact NH1-OE1 3.68Å; R514-E589 PolarHBondContact NH1-OE1 3.03Å; R514-E589 IonicContact NH1-OE2 3.88Å; R514-E589 PolarHBondContact NH1-OE2 3.47Å; R514-E589 IonicContact NH2-OE1 3.37Å; R514-E589 PolarHBondContact NH2-OE1 3.21Å; R514-E589 IonicContact NH2-OE2 3.13Å; R514-E589 PolarHBondContact NH2-OE2 3.04Å
515	K	67.8	Low	86.1	Confident	158 Å²	158	28.1 Å²	28.1	69%	0.687	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-1.8	170.9	-65.2	-171.9	-178.1	-178.3	0	114.7	R148 R519	R148-K515 PolarHBondContact NH2-O 3.49Å; K515-R519 PolarHBondContact O-NH1 3.42Å; K515-R519 PolarHBondContact O-NH2 3.1Å
516	C	70.6	Confident	86	Confident	64 Å²	64	29.8 Å²	29.8	43%	0.432	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.8	22.2	170.3	-64.3	0	0	0	0	111.5	R514 G661	R514-C516 PolarHBondContact O-N 3.19Å; C516-G661 WeakPolarHBondContact O-CA 3.31Å; C516-G661 PolarHBondContact O-N 3.26Å
517	G	76.7	Confident	85.7	Confident	4 Å²	4	30 Å²	30	4%	0.041	15%	0.151	C	C	.	.	S	Bend	trans	-81.5	-161.7	176.3	0	0	0	0	0	112.9	R514 G661	R514-G517 PolarHBondContact O-N 2.74Å; G517-G661 PolarHBondContact O-N 2.78Å
518	I	84.1	Confident	85.4	Confident	4 Å²	4	30 Å²	30	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	136.4	175.9	-64.1	174.2	0	0	0	110.2	F320 L509 S510 A511 A587 I593 W659 N660 I665	F320-I518 HydrophobicContact CE1-CB 4.01Å; F320-I518 HydrophobicContact CE1-CG2 4.21Å; F320-I518 HydrophobicContact CZ-CB 4.48Å; L509-I518 HydrophobicContact CD1-CG2 4.1Å; S510-I518 CarbonylContact C-O 3.05Å; S510-I518 WeakPolarHBondContact CA-O 3.47Å; A511-I518 PolarHBondContact N-O 2.78Å; I518-A587 WeakPolarHBondContact CD1-O 3.21Å; I518-I593 HydrophobicContact CD1-CB 3.71Å; I518-I593 HydrophobicContact CD1-CD1 3.38Å; I518-I593 HydrophobicContact CD1-CG1 3.49Å; I518-I593 VanDerWaalsContact CD1-CG1 3.49Å; I518-W659 CarbonylContact C-O 3.56Å; I518-W659 WeakPolarHBondContact CA-O 3.33Å; I518-N660 HydrophobicContact CG1-CB 4.02Å; I518-I665 HydrophobicContact CG2-CD1 4.03Å
519	R	87.7	Confident	85.1	Confident	5 Å²	5	31.5 Å²	31.5	2%	0.019	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	131.1	175.1	-54.5	175.3	166.8	127.3	-12.9	109.1	Y508 L509 K515 G658 W659	Y508-R519 WeakPolarHBondContact OH-CB 3.16Å; L509-R519 CarbonylContact O-C 3.57Å; L509-R519 VanDerWaalsContact O-CA 3.23Å; L509-R519 WeakPolarHBondContact O-CA 3.28Å; K515-R519 PolarHBondContact O-NH1 3.42Å; K515-R519 PolarHBondContact O-NH2 3.1Å; R519-G658 CarbonylContact O-C 3.59Å; R519-G658 WeakPolarHBondContact O-CA 3.29Å; R519-W659 PolarHBondContact N-O 2.91Å; R519-W659 PolarHBondContact O-N 3.13Å
520	A	90.9	Very high	85.1	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	145.9	178.4	0	0	0	0	0	112	Y508 L509 L656 I657	Y508-A520 WeakPolarHBondContact CA-O 3.21Å; L509-A520 HydrophobicContact CD2-CB 4Å; L509-A520 HydrophobicContact CG-CB 4.3Å; L509-A520 PolarHBondContact N-O 2.84Å; L509-A520 PolarHBondContact O-N 3.47Å; A520-L656 HydrophobicContact CB-CD1 4.12Å; A520-L656 HydrophobicContact CB-CD2 3.71Å; A520-L656 HydrophobicContact CB-CG 3.75Å; A520-I657 CarbonylContact C-O 3.58Å; A520-I657 WeakPolarHBondContact CA-O 3.22Å; A520-I657 WeakPolarHBondContact CB-O 3.48Å
521	G	94.7	Very high	85.2	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	137.2	160.7	0	0	0	0	0	110	V507 L656 I657	V507-G521 WeakPolarHBondContact O-CA 3.2Å; G521-L656 WeakPolarHBondContact O-CA 3.32Å; G521-I657 PolarHBondContact N-O 3.11Å; G521-I657 PolarHBondContact O-N 2.79Å; G521-I657 VanDerWaalsContact O-N 3.1Å
522	I	93.6	Very high	85.6	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.4	175.7	-59.1	177	0	0	0	107.9	V457 V507 L509 A534 I538 V654 F655 L656	V457-I522 WeakPolarHBondContact CG1-O 3.08Å; V507-I522 HydrophobicContact CB-CB 4.43Å; V507-I522 PolarHBondContact N-O 3.22Å; V507-I522 PolarHBondContact O-N 2.02Å; L509-I522 HydrophobicContact CD2-CD1 3.31Å; L509-I522 HydrophobicContact CD2-CG1 3.98Å; I522-A534 HydrophobicContact CG2-CB 4.02Å; I522-I538 HydrophobicContact CD1-CD1 3.66Å; I522-I538 HydrophobicContact CD1-CG1 3.37Å; I522-V654 HydrophobicContact CG2-CG1 3.88Å; I522-F655 WeakPolarHBondContact CA-O 3.21Å; I522-L656 HydrophobicContact CD1-CD1 3.86Å; I522-L656 HydrophobicContact CG1-CB 4.27Å; I522-L656 HydrophobicContact CG1-CD1 3.8Å; I522-L656 HydrophobicContact CG1-CG 3.98Å
523	V	93.5	Very high	86.2	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	154.9	170.4	-66.5	0	0	0	0	109.6	I446 V447 V457 V654 F655	I446-V523 WeakPolarHBondContact O-CG1 3.04Å; V447-V523 HydrophobicContact CG2-CB 4.22Å; V447-V523 HydrophobicContact CG2-CG1 3.76Å; V447-V523 HydrophobicContact CG2-CG2 3.59Å; V457-V523 HydrophobicContact CG1-CG1 3.44Å; V457-V523 VanDerWaalsContact CG1-CG1 3.44Å; V523-V654 WeakPolarHBondContact O-CA 3.38Å; V523-F655 HydrophobicContact CG2-CB 3.89Å; V523-F655 HydrophobicContact CG2-CD2 3.84Å; V523-F655 HydrophobicContact CG2-CG 4.35Å; V523-F655 PolarHBondContact N-O 3.11Å; V523-F655 PolarHBondContact O-N 3.39Å
524	S	92.1	Very high	87.2	Confident	5 Å²	5	20.1 Å²	20.1	4%	0.035	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	167.1	171.3	62.1	0	0	0	0	111.6	N459 G530 L531 R653	N459-S524 PolarHBondContact ND2-O 3.41Å; S524-G530 WeakPolarHBondContact CB-O 3.46Å; S524-G530 VanDerWaalsContact OG-C 3.26Å; S524-G530 PolarHBondContact OG-O 2.88Å; S524-L531 PolarHBondContact OG-N 3.02Å; S524-R653 CarbonylContact C-O 3.59Å; S524-R653 WeakPolarHBondContact CA-O 3.32Å; S524-R653 WeakPolarHBondContact CB-O 3.49Å
525	I	90.7	Very high	88.3	Confident	14 Å²	14	16 Å²	16	7%	0.072	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	152.9	177.8	-58.4	-172.9	0	0	0	109.4	D97 G530 R653 F655	D97-I525 HydrophobicContact CB-CD1 4.17Å; I525-G530 WeakPolarHBondContact O-CA 3.5Å; I525-G530 PolarHBondContact O-N 3.1Å; I525-R653 HydrophobicContact CB-CB 4.14Å; I525-R653 HydrophobicContact CD1-CB 4.12Å; I525-R653 HydrophobicContact CD1-CG 4.49Å; I525-R653 HydrophobicContact CG1-CB 4.18Å; I525-R653 PolarHBondContact N-O 2.78Å; I525-F655 HydrophobicContact CD1-CE2 3.74Å; I525-F655 HydrophobicContact CD1-CZ 4.13Å; I525-F655 HydrophobicContact CG1-CE2 4.25Å
526	D	88.3	Confident	89.4	Confident	38 Å²	38	8.4 Å²	8.4	20%	0.203	5%	0.049	C	C	.	.	S	Bend	trans	70.9	39.8	-179.2	-72.5	-40.3	0	0	0	113.9	S440 D443 L528 W529 P651	S440-D526 WeakPolarHBondContact CB-OD1 3.4Å; S440-D526 PolarHBondContact OG-OD1 3.38Å; D443-D526 WeakPolarHBondContact OD1-CA 3.49Å; D443-D526 PolarHBondContact OD1-N 3.39Å; D443-D526 PolarHBondContact OD2-N 3.33Å; D526-L528 PolarHBondContact O-N 2.83Å; D526-W529 WeakPolarHBondContact O-CB 3.25Å; D526-W529 PolarHBondContact O-N 2.93Å; D526-P651 HydrophobicContact CB-CB 4.47Å; D526-P651 WeakPolarHBondContact OD2-CB 3.32Å; D526-P651 VanDerWaalsContact OD2-O 3.11Å
527	G	89.9	Confident	90.1	Very high	3 Å²	3	5.5 Å²	5.5	3%	0.031	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	-130.5	168.8	0	0	0	0	0	114.4	P503 W529 G530 L531	P503-G527 CarbonylContact O-C 3.06Å; P503-G527 WeakPolarHBondContact O-CA 3.22Å; G527-W529 PolarHBondContact O-N 3.06Å; G527-G530 PolarHBondContact O-N 2.86Å; G527-L531 PolarHBondContact O-N 3.29Å; G527-L531 VanDerWaalsContact O-N 3.1Å
528	L	90.8	Very high	90.6	Very high	2 Å²	2	5.7 Å²	5.7	1%	0.01	3%	0.029	C	C	.	.	H	α-helix	trans	-65.4	-27.1	-178.3	-65.1	-162.4	0	0	0	112.8	Y334 E379 L432 T435 P503 D526 L531 T532	Y334-L528 HydrophobicContact CD1-CD2 3.81Å; Y334-L528 HydrophobicContact CD2-CD1 4.02Å; Y334-L528 HydrophobicContact CD2-CD2 4.28Å; Y334-L528 HydrophobicContact CE1-CD2 4.36Å; Y334-L528 HydrophobicContact CE2-CD1 4.18Å; Y334-L528 HydrophobicContact CG-CD1 4.33Å; Y334-L528 HydrophobicContact CG-CD2 3.76Å; E379-L528 HydrophobicContact CB-CD1 4.13Å; E379-L528 HydrophobicContact CG-CD1 3.67Å; L432-L528 HydrophobicContact CD1-CD1 3.68Å; L432-L528 HydrophobicContact CD1-CG 4.1Å; L432-L528 HydrophobicContact CG-CD1 4.42Å; T435-L528 HydrophobicContact CG2-CB 3.95Å; T435-L528 HydrophobicContact CG2-CD1 4.04Å; T435-L528 HydrophobicContact CG2-CG 4.21Å; P503-L528 HydrophobicContact CB-CD2 3.85Å; P503-L528 HydrophobicContact CB-CG 3.76Å; P503-L528 PolarHBondContact O-N 3.36Å; D526-L528 PolarHBondContact O-N 2.83Å; L528-L531 HydrophobicContact CD2-CD1 3.86Å; L528-L531 PolarHBondContact O-N 2.95Å; L528-T532 PolarHBondContact O-N 3.47Å; L528-T532 PolarHBondContact O-OG1 3.11Å
529	W	89.2	Confident	90.7	Very high	32 Å²	32	5.5 Å²	5.5	12%	0.121	3%	0.028	C	C	.	.	H	α-helix	trans	-61.4	-52.5	176.4	-166.2	-66	0	0	0	110.5	D526 G527 L531 T532 D533 H606 T618 W650 P651	D526-W529 WeakPolarHBondContact O-CB 3.25Å; D526-W529 PolarHBondContact O-N 2.93Å; G527-W529 PolarHBondContact O-N 3.06Å; W529-L531 VanDerWaalsContact C-N 3.26Å; W529-L531 PolarHBondContact O-N 3.3Å; W529-T532 WeakPolarHBondContact O-CB 3.49Å; W529-T532 PolarHBondContact O-N 3.34Å; W529-D533 PolarHBondContact O-N 2.93Å; W529-D533 VanDerWaalsContact O-N 3.14Å; W529-H606 WeakPolarHBondContact CA-NE2 3.49Å; W529-H606 AromaticContact CD1-CD2 3.95Å; W529-H606 HydrophobicContact CD2-CB 4.29Å; W529-H606 AromaticContact CD2-CD2 3.44Å; W529-H606 VanDerWaalsContact CD2-CD2 3.44Å; W529-H606 AromaticContact CD2-CE1 3.83Å; W529-H606 AromaticContact CD2-CG 3.54Å; W529-H606 AromaticContact CD2-ND1 3.77Å; W529-H606 AromaticContact CD2-NE2 3.68Å; W529-H606 AromaticContact CE2-CD2 3.71Å; W529-H606 AromaticContact CE2-CG 3.53Å; W529-H606 AromaticContact CE3-CD2 3.79Å; W529-H606 AromaticContact CE3-CE1 3.35Å; W529-H606 AromaticContact CE3-CG 3.61Å; W529-H606 AromaticContact CE3-ND1 3.31Å; W529-H606 VanDerWaalsContact CE3-ND1 3.31Å; W529-H606 AromaticContact CE3-NE2 3.67Å; W529-H606 AromaticContact CG-CD2 3.64Å; W529-H606 AromaticContact CG-NE2 3.82Å; W529-H606 HydrophobicContact CH2-CB 3.77Å; W529-H606 AromaticContact CH2-CG 3.7Å; W529-H606 AromaticContact CH2-ND1 3.64Å; W529-H606 HydrophobicContact CZ2-CB 3.49Å; W529-H606 VanDerWaalsContact CZ2-CB 3.49Å; W529-H606 AromaticContact CZ2-CG 3.64Å; W529-H606 HydrophobicContact CZ3-CB 4.27Å; W529-H606 AromaticContact CZ3-CE1 3.72Å; W529-H606 AromaticContact CZ3-CG 3.69Å; W529-H606 AromaticContact CZ3-ND1 3.23Å; W529-H606 WeakPolarHBondContact CZ3-ND1 3.44Å; W529-H606 AromaticContact NE1-CD2 3.99Å; W529-T618 HydrophobicContact CH2-CG2 4.38Å; W529-T618 HydrophobicContact CZ2-CG2 4.36Å; W529-W650 AromaticContact CD1-NE1 3.84Å; W529-W650 AromaticContact CE2-CZ2 3.87Å; W529-W650 AromaticContact CZ2-CH2 3.97Å; W529-W650 HydrophobicContact CZ2-CH2 3.97Å; W529-W650 AromaticContact CZ2-CZ2 3.95Å; W529-W650 HydrophobicContact CZ2-CZ2 3.95Å; W529-W650 HydrophobicContact CZ2-CZ3 4.37Å; W529-W650 AromaticContact NE1-CE2 3.22Å; W529-W650 AromaticContact NE1-CZ2 3.25Å; W529-W650 VanDerWaalsContact NE1-CZ2 3.25Å; W529-W650 AromaticContact NE1-NE1 3.25Å; W529-P651 HydrophobicContact CD2-CG 3.82Å; W529-P651 HydrophobicContact CG-CG 3.92Å; W529-P651 HydrophobicContact CZ2-CG 4.15Å
530	G	90.7	Very high	90.3	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-61.2	-33.3	174.1	0	0	0	0	0	113.5	S524 I525 G527 D533 A534	S524-G530 WeakPolarHBondContact CB-O 3.46Å; S524-G530 VanDerWaalsContact OG-C 3.26Å; S524-G530 PolarHBondContact OG-O 2.88Å; I525-G530 WeakPolarHBondContact O-CA 3.5Å; I525-G530 PolarHBondContact O-N 3.1Å; G527-G530 PolarHBondContact O-N 2.86Å; G530-D533 WeakPolarHBondContact O-CB 3.38Å; G530-D533 PolarHBondContact O-N 2.88Å; G530-A534 WeakPolarHBondContact O-CB 3.32Å; G530-A534 PolarHBondContact O-N 2.94Å
531	L	93.2	Very high	89.5	Confident	2 Å²	2	6.3 Å²	6.3	1%	0.01	4%	0.035	C	C	.	.	H	α-helix	trans	-71.6	-31.2	177.4	-73.4	166.9	0	0	0	112.7	Y334 I335 S524 G527 L528 W529 D533 A534 A535	Y334-L531 HydrophobicContact CD1-CB 3.89Å; Y334-L531 HydrophobicContact CD1-CD1 4.34Å; Y334-L531 HydrophobicContact CE1-CB 3.88Å; I335-L531 HydrophobicContact CB-CD2 4.43Å; I335-L531 HydrophobicContact CD1-CD2 3.96Å; I335-L531 HydrophobicContact CG2-CD2 4.5Å; S524-L531 PolarHBondContact OG-N 3.02Å; G527-L531 PolarHBondContact O-N 3.29Å; G527-L531 VanDerWaalsContact O-N 3.1Å; L528-L531 HydrophobicContact CD2-CD1 3.86Å; L528-L531 PolarHBondContact O-N 2.95Å; W529-L531 VanDerWaalsContact C-N 3.26Å; W529-L531 PolarHBondContact O-N 3.3Å; L531-D533 VanDerWaalsContact C-N 3.33Å; L531-A534 PolarHBondContact O-N 3.5Å; L531-A535 WeakPolarHBondContact O-CB 3.13Å; L531-A535 PolarHBondContact O-N 3.49Å
532	T	93.1	Very high	88.4	Confident	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-64.7	-40.5	169.2	-55.1	0	0	0	0	110.6	Y334 M372 L528 W529 A535 Q536	Y334-T532 PolarHBondContact OH-OG1 2.94Å; M372-T532 HydrophobicContact CE-CG2 3.95Å; L528-T532 PolarHBondContact O-N 3.47Å; L528-T532 PolarHBondContact O-OG1 3.11Å; W529-T532 WeakPolarHBondContact O-CB 3.49Å; W529-T532 PolarHBondContact O-N 3.34Å; T532-A535 WeakPolarHBondContact O-CB 3.42Å; T532-A535 PolarHBondContact O-N 3.21Å; T532-Q536 WeakPolarHBondContact O-CG 3.28Å; T532-Q536 PolarHBondContact O-N 2.98Å
533	D	90.7	Very high	87.1	Confident	1 Å²	1	7.4 Å²	7.4	1%	0.005	4%	0.041	C	C	.	.	H	α-helix	trans	-63.6	-43.8	173	-64.6	-21	0	0	0	111	W529 G530 L531 A535 Q536 V537 R604 W650 G652 V654	W529-D533 PolarHBondContact O-N 2.93Å; W529-D533 VanDerWaalsContact O-N 3.14Å; G530-D533 WeakPolarHBondContact O-CB 3.38Å; G530-D533 PolarHBondContact O-N 2.88Å; L531-D533 VanDerWaalsContact C-N 3.33Å; D533-A535 VanDerWaalsContact C-N 3.28Å; D533-A535 PolarHBondContact O-N 3.35Å; D533-Q536 WeakPolarHBondContact O-CB 3.35Å; D533-Q536 PolarHBondContact O-N 2.9Å; D533-Q536 VanDerWaalsContact O-N 3.13Å; D533-Q536 PolarHBondContact OD1-NE2 2.67Å; D533-V537 WeakPolarHBondContact O-CG2 3.33Å; D533-V537 PolarHBondContact O-N 3.31Å; D533-R604 IonicContact OD2-NH1 2.77Å; D533-W650 PolarHBondContact OD1-NE1 3.18Å; D533-W650 PolarHBondContact OD2-NE1 2.68Å; D533-G652 WeakPolarHBondContact OD2-CA 3.45Å; D533-V654 HydrophobicContact CB-CG2 3.53Å
534	A	92.3	Very high	85.4	Confident	1 Å²	1	7.4 Å²	7.4	1%	0.008	4%	0.041	C	C	.	.	H	α-helix	trans	-60.5	-39.4	176	0	0	0	0	0	111.4	I335 I522 G530 L531 V537 I538 V654	I335-A534 HydrophobicContact CD1-CB 3.86Å; I522-A534 HydrophobicContact CG2-CB 4.02Å; G530-A534 WeakPolarHBondContact O-CB 3.32Å; G530-A534 PolarHBondContact O-N 2.94Å; L531-A534 PolarHBondContact O-N 3.5Å; A534-V537 PolarHBondContact O-N 3.42Å; A534-I538 WeakPolarHBondContact O-CB 3.45Å; A534-I538 WeakPolarHBondContact O-CD1 3.35Å; A534-I538 VanDerWaalsContact O-CG1 3.22Å; A534-I538 WeakPolarHBondContact O-CG1 3.43Å; A534-I538 PolarHBondContact O-N 3.12Å; A534-V654 HydrophobicContact CB-CG1 4.19Å; A534-V654 HydrophobicContact CB-CG2 4.19Å
535	A	93.8	Very high	83.4	Confident	0 Å²	0	8 Å²	8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-62.1	-44.8	173.7	0	0	0	0	0	111.7	I335 L338 L339 L531 T532 D533 V537 I538 C539	I335-A535 HydrophobicContact CD1-CB 4.44Å; I335-A535 HydrophobicContact CG1-CB 4.31Å; L338-A535 HydrophobicContact CD2-CB 3.55Å; L338-A535 HydrophobicContact CG-CB 4.21Å; L339-A535 HydrophobicContact CD2-CB 3.93Å; L339-A535 HydrophobicContact CG-CB 4.2Å; L531-A535 WeakPolarHBondContact O-CB 3.13Å; L531-A535 PolarHBondContact O-N 3.49Å; T532-A535 WeakPolarHBondContact O-CB 3.42Å; T532-A535 PolarHBondContact O-N 3.21Å; D533-A535 VanDerWaalsContact C-N 3.28Å; D533-A535 PolarHBondContact O-N 3.35Å; A535-V537 PolarHBondContact O-N 2.95Å; A535-I538 PolarHBondContact O-N 3.45Å; A535-C539 WeakPolarHBondContact O-CB 3.1Å; A535-C539 PolarHBondContact O-N 3.22Å; A535-C539 PolarHBondContact O-SG 3.13Å
536	Q	90	Very high	81.2	Confident	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-61.7	-41.4	175	-68.8	173.7	84	0	0	112.2	L371 T532 D533 C539 N540 L602 I605	L371-Q536 HydrophobicContact CD2-CB 4.47Å; L371-Q536 HydrophobicContact CD2-CG 3.37Å; T532-Q536 WeakPolarHBondContact O-CG 3.28Å; T532-Q536 PolarHBondContact O-N 2.98Å; D533-Q536 WeakPolarHBondContact O-CB 3.35Å; D533-Q536 PolarHBondContact O-N 2.9Å; D533-Q536 VanDerWaalsContact O-N 3.13Å; D533-Q536 PolarHBondContact OD1-NE2 2.67Å; Q536-C539 PolarHBondContact O-N 3.05Å; Q536-N540 VanDerWaalsContact O-CB 3.32Å; Q536-N540 WeakPolarHBondContact O-CB 3.32Å; Q536-N540 PolarHBondContact O-N 3.11Å; Q536-L602 HydrophobicContact CB-CD2 3.59Å; Q536-I605 PolarHBondContact NE2-O 3.28Å; Q536-I605 VanDerWaalsContact OE1-N 3.12Å
537	V	86.2	Confident	79	Confident	2 Å²	2	10.9 Å²	10.9	1%	0.012	7%	0.074	C	C	.	.	H	α-helix	trans	-61.3	-46.3	175.8	171.1	0	0	0	0	110.7	D533 A534 A535 N540 A541 A598 T599 L602 V654	D533-V537 WeakPolarHBondContact O-CG2 3.33Å; D533-V537 PolarHBondContact O-N 3.31Å; A534-V537 PolarHBondContact O-N 3.42Å; A535-V537 PolarHBondContact O-N 2.95Å; V537-N540 PolarHBondContact O-N 3.26Å; V537-A541 VanDerWaalsContact O-CB 3.3Å; V537-A541 WeakPolarHBondContact O-CB 3.4Å; V537-A541 PolarHBondContact O-N 2.77Å; V537-A598 HydrophobicContact CG1-CB 4.15Å; V537-T599 HydrophobicContact CG1-CG2 3.89Å; V537-T599 HydrophobicContact CG2-CG2 4.13Å; V537-L602 HydrophobicContact CG2-CD2 4.22Å; V537-V654 HydrophobicContact CB-CG1 4.37Å; V537-V654 HydrophobicContact CG1-CG1 4.47Å; V537-V654 HydrophobicContact CG2-CB 4.25Å; V537-V654 HydrophobicContact CG2-CG1 4.1Å; V537-V654 HydrophobicContact CG2-CG2 4.33Å
538	I	87.7	Confident	77.1	Confident	9 Å²	9	12.2 Å²	12.2	5%	0.046	8%	0.081	C	C	.	.	H	α-helix	trans	-63.2	-46.4	178.3	-68.3	162.5	0	0	0	110.7	F317 I335 L339 I522 A534 A535 A541 A542	F317-I538 HydrophobicContact CD1-CG2 3.78Å; F317-I538 HydrophobicContact CE1-CG2 3.64Å; I335-I538 HydrophobicContact CD1-CD1 4.19Å; L339-I538 HydrophobicContact CD1-CB 4.11Å; L339-I538 HydrophobicContact CD1-CD1 3.7Å; L339-I538 HydrophobicContact CD1-CG2 3.82Å; L339-I538 HydrophobicContact CD2-CG2 4.38Å; I522-I538 HydrophobicContact CD1-CD1 3.66Å; I522-I538 HydrophobicContact CD1-CG1 3.37Å; A534-I538 WeakPolarHBondContact O-CB 3.45Å; A534-I538 WeakPolarHBondContact O-CD1 3.35Å; A534-I538 VanDerWaalsContact O-CG1 3.22Å; A534-I538 WeakPolarHBondContact O-CG1 3.43Å; A534-I538 PolarHBondContact O-N 3.12Å; A535-I538 PolarHBondContact O-N 3.45Å; I538-A541 PolarHBondContact O-N 3.31Å; I538-A542 VanDerWaalsContact O-CB 3.28Å; I538-A542 WeakPolarHBondContact O-CB 3.46Å; I538-A542 PolarHBondContact O-N 3.03Å
539	C	86.2	Confident	75.2	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.2	-44.2	175.8	-73.7	0	0	0	0	112	F317 L339 L342 Y367 A535 Q536 A541 A542 L543 F544	F317-C539 HydrophobicContact CZ-CB 4.47Å; L339-C539 WeakPolarHBondContact CD2-SG 3.22Å; L342-C539 WeakPolarHBondContact CD2-SG 3.25Å; Y367-C539 HydrophobicContact CE2-CB 3.92Å; Y367-C539 WeakPolarHBondContact OH-CB 3.42Å; A535-C539 WeakPolarHBondContact O-CB 3.1Å; A535-C539 PolarHBondContact O-N 3.22Å; A535-C539 PolarHBondContact O-SG 3.13Å; Q536-C539 PolarHBondContact O-N 3.05Å; C539-A541 VanDerWaalsContact C-N 3.31Å; C539-A541 PolarHBondContact O-N 3.48Å; C539-A542 PolarHBondContact O-N 2.59Å; C539-L543 HydrophobicContact CB-CD1 4.34Å; C539-L543 WeakPolarHBondContact O-CA 3.03Å; C539-L543 VanDerWaalsContact O-CB 3.26Å; C539-L543 WeakPolarHBondContact O-CB 3.49Å; C539-L543 PolarHBondContact O-N 2.93Å; C539-F544 PolarHBondContact O-N 2.95Å
540	N	78.3	Confident	73.5	Confident	5 Å²	5	22.2 Å²	22.2	3%	0.027	13%	0.13	C	C	.	.	H	α-helix	trans	-63.6	-40.1	177.8	-90	3.9	0	0	0	112.3	Q536 V537 F544 L545 A598 L602	Q536-N540 VanDerWaalsContact O-CB 3.32Å; Q536-N540 WeakPolarHBondContact O-CB 3.32Å; Q536-N540 PolarHBondContact O-N 3.11Å; V537-N540 PolarHBondContact O-N 3.26Å; N540-F544 WeakPolarHBondContact O-CB 3.41Å; N540-F544 PolarHBondContact O-N 2.85Å; N540-F544 WeakPolarHBondContact OD1-CD2 3.33Å; N540-L545 PolarHBondContact O-N 3.44Å; N540-A598 HydrophobicContact CB-CB 4.19Å; N540-L602 WeakPolarHBondContact ND2-CB 3.45Å; N540-L602 WeakPolarHBondContact ND2-CD1 3.38Å; N540-L602 WeakPolarHBondContact ND2-CD2 3.5Å; N540-L602 VanDerWaalsContact ND2-CG 3.34Å; N540-L602 WeakPolarHBondContact ND2-CG 3.48Å
541	A	73.6	Confident	71.6	Confident	16 Å²	16	30 Å²	30	13%	0.132	17%	0.167	C	C	.	.	H	α-helix	trans	-66.9	-41.4	177	0	0	0	0	0	111.9	V537 I538 C539 L545 I593 A598	V537-A541 VanDerWaalsContact O-CB 3.3Å; V537-A541 WeakPolarHBondContact O-CB 3.4Å; V537-A541 PolarHBondContact O-N 2.77Å; I538-A541 PolarHBondContact O-N 3.31Å; C539-A541 VanDerWaalsContact C-N 3.31Å; C539-A541 PolarHBondContact O-N 3.48Å; A541-L545 WeakPolarHBondContact O-CD2 3.26Å; A541-I593 HydrophobicContact CB-CD1 4.32Å; A541-I593 HydrophobicContact CB-CG2 3.78Å; A541-I593 WeakPolarHBondContact O-CD1 3.44Å; A541-I593 WeakPolarHBondContact O-CG1 3.36Å; A541-A598 HydrophobicContact CB-CB 4.04Å
542	A	72.7	Confident	69.3	Low	4 Å²	4	32.2 Å²	32.2	3%	0.033	18%	0.181	C	C	.	.	H	α-helix	trans	-93.9	-36	-171.6	0	0	0	0	0	114.9	F317 A318 F320 I538 C539 A587	F317-A542 HydrophobicContact CD1-CB 4.38Å; F317-A542 HydrophobicContact CE1-CB 3.76Å; A318-A542 HydrophobicContact CB-CB 3.92Å; F320-A542 HydrophobicContact CD2-CB 4.13Å; F320-A542 HydrophobicContact CE2-CB 3.86Å; I538-A542 VanDerWaalsContact O-CB 3.28Å; I538-A542 WeakPolarHBondContact O-CB 3.46Å; I538-A542 PolarHBondContact O-N 3.03Å; C539-A542 PolarHBondContact O-N 2.59Å; A542-A587 HydrophobicContact CB-CB 4.31Å; A542-A587 WeakPolarHBondContact O-CB 3.29Å
543	L	67	Low	67.1	Low	21 Å²	21	33.5 Å²	33.5	11%	0.11	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-38.3	-175.7	-58.1	176.1	0	0	0	112.4	F317 A318 L342 Y367 C539	F317-L543 HydrophobicContact CE2-CD1 4.3Å; F317-L543 HydrophobicContact CZ-CD1 3.81Å; F317-L543 HydrophobicContact CZ-CD2 4.44Å; F317-L543 HydrophobicContact CZ-CG 3.96Å; A318-L543 HydrophobicContact CB-CD2 3.83Å; L342-L543 HydrophobicContact CD2-CD1 4.37Å; Y367-L543 HydrophobicContact CE2-CD1 4.45Å; C539-L543 HydrophobicContact CB-CD1 4.34Å; C539-L543 WeakPolarHBondContact O-CA 3.03Å; C539-L543 VanDerWaalsContact O-CB 3.26Å; C539-L543 WeakPolarHBondContact O-CB 3.49Å; C539-L543 PolarHBondContact O-N 2.93Å
544	F	56	Low	65.2	Low	1 Å²	1	41.8 Å²	41.8	0%	0.004	23%	0.226	C	C	.	.			trans	-92.8	-15.6	-170.8	-76.3	-103.5	0	0	0	115.7	L356 L357 Y367 C539 N540 R546	L356-F544 HydrophobicContact CD1-CD1 4.16Å; L356-F544 HydrophobicContact CD1-CE1 3.27Å; L356-F544 HydrophobicContact CD1-CE2 4.18Å; L356-F544 HydrophobicContact CD1-CZ 3.28Å; L356-F544 HydrophobicContact CD2-CD1 4.45Å; L356-F544 HydrophobicContact CD2-CD2 4.26Å; L356-F544 HydrophobicContact CD2-CE1 4.13Å; L356-F544 HydrophobicContact CD2-CE2 3.86Å; L356-F544 HydrophobicContact CD2-CZ 3.81Å; L356-F544 HydrophobicContact CG-CD1 3.78Å; L356-F544 HydrophobicContact CG-CD2 4.44Å; L356-F544 HydrophobicContact CG-CE1 3.38Å; L356-F544 HydrophobicContact CG-CE2 4.07Å; L356-F544 HydrophobicContact CG-CG 4.31Å; L356-F544 HydrophobicContact CG-CZ 3.54Å; L357-F544 WeakPolarHBondContact CD2-O 3.47Å; Y367-F544 AromaticContact CD1-CE2 3.58Å; Y367-F544 HydrophobicContact CD1-CE2 3.58Å; Y367-F544 AromaticContact CD1-CZ 3.28Å; Y367-F544 HydrophobicContact CD1-CZ 3.28Å; Y367-F544 AromaticContact CD2-CE2 3.94Å; Y367-F544 HydrophobicContact CD2-CE2 3.94Å; Y367-F544 HydrophobicContact CD2-CZ 4.3Å; Y367-F544 AromaticContact CE1-CE2 3.39Å; Y367-F544 HydrophobicContact CE1-CE2 3.39Å; Y367-F544 AromaticContact CE1-CZ 3.46Å; Y367-F544 HydrophobicContact CE1-CZ 3.46Å; Y367-F544 VanDerWaalsContact CE1-CZ 3.46Å; Y367-F544 AromaticContact CE2-CE2 3.76Å; Y367-F544 HydrophobicContact CE2-CE2 3.76Å; Y367-F544 HydrophobicContact CE2-CZ 4.44Å; Y367-F544 AromaticContact CG-CE2 3.85Å; Y367-F544 HydrophobicContact CG-CE2 3.85Å; Y367-F544 AromaticContact CG-CZ 3.73Å; Y367-F544 HydrophobicContact CG-CZ 3.73Å; Y367-F544 AromaticContact CZ-CE2 3.5Å; C539-F544 PolarHBondContact O-N 2.95Å; N540-F544 WeakPolarHBondContact O-CB 3.41Å; N540-F544 PolarHBondContact O-N 2.85Å; N540-F544 WeakPolarHBondContact OD1-CD2 3.33Å; F544-R546 HydrophobicContact CB-CG 3.89Å; F544-R546 VanDerWaalsContact O-CA 3.3Å; F544-R546 WeakPolarHBondContact O-CA 3.34Å; F544-R546 PolarHBondContact O-N 2.72Å
545	L	52.1	Low	62.9	Low	16 Å²	16	46.2 Å²	46.2	8%	0.084	25%	0.253	C	S	.	.			trans	32.4	36.8	178.1	-53.9	172.2	0	0	0	114.9	L357 N540 A541 G547 T548 P586 A587 C592 I593	L357-L545 HydrophobicContact CD2-CB 3.69Å; L357-L545 HydrophobicContact CD2-CD1 4.42Å; L357-L545 HydrophobicContact CD2-CG 4.25Å; N540-L545 PolarHBondContact O-N 3.44Å; A541-L545 WeakPolarHBondContact O-CD2 3.26Å; L545-G547 PolarHBondContact O-N 2.66Å; L545-T548 WeakPolarHBondContact CB-OG1 3.5Å; L545-T548 PolarHBondContact O-N 3.09Å; L545-T548 PolarHBondContact O-OG1 3.1Å; L545-P586 HydrophobicContact CD1-CB 3.63Å; L545-P586 HydrophobicContact CD1-CG 3.94Å; L545-A587 HydrophobicContact CD2-CB 4Å; L545-C592 HydrophobicContact CD2-CB 4.22Å; L545-C592 WeakPolarHBondContact CD2-O 3.4Å; L545-I593 HydrophobicContact CD2-CG1 4.35Å
546	R	44.5	Very low	60.3	Low	39 Å²	39	49.9 Å²	49.9	15%	0.147	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	124.4	-160.8	-73.7	-170.9	173.3	-173.7	-3.4	110	Q359 F544 T548 N601	Q359-R546 VanDerWaalsContact NE2-CZ 3.3Å; F544-R546 HydrophobicContact CB-CG 3.89Å; F544-R546 VanDerWaalsContact O-CA 3.3Å; F544-R546 WeakPolarHBondContact O-CA 3.34Å; F544-R546 PolarHBondContact O-N 2.72Å; R546-T548 PolarHBondContact O-N 3.29Å; R546-N601 PolarHBondContact NH1-O 3.09Å; R546-N601 VanDerWaalsContact NH1-O 3.08Å
547	G	42	Very low	57.8	Low	75 Å²	75	54.6 Å²	54.6	77%	0.773	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	7.6	175.4	0	0	0	0	0	115.9	L545	L545-G547 PolarHBondContact O-N 2.66Å
548	T	48.5	Very low	55.5	Low	30 Å²	30	61.3 Å²	61.3	18%	0.184	33%	0.325	C	S	.	.			trans	-93.5	126.6	-180	66	0	0	0	0	112	L545 R546 C550 C592 N594	L545-T548 WeakPolarHBondContact CB-OG1 3.5Å; L545-T548 PolarHBondContact O-N 3.09Å; L545-T548 PolarHBondContact O-OG1 3.1Å; R546-T548 PolarHBondContact O-N 3.29Å; T548-C550 PolarHBondContact O-N 3.2Å; T548-C550 VanDerWaalsContact O-N 3.17Å; T548-C592 WeakPolarHBondContact CB-O 3.48Å; T548-C592 VanDerWaalsContact CG2-O 3.27Å; T548-C592 WeakPolarHBondContact CG2-O 3.38Å; T548-C592 PolarHBondContact OG1-O 2.94Å; T548-N594 HydrophobicContact CG2-CB 3.89Å
549	K	50.6	Low	53	Low	202 Å²	202	68.3 Å²	68.3	88%	0.878	36%	0.356	S	S	*	.			trans	-80.8	89.3	167	-70.3	-175.8	-179.8	179.3	0	108	Q551	K549-Q551 PolarHBondContact O-N 3.17Å
550	C	53.7	Low	50.6	Low	42 Å²	42	76.3 Å²	76.3	28%	0.284	39%	0.393	S	S	.	.			trans	-64.7	124.7	173.9	-80.9	0	0	0	0	111.4	T548 C592	T548-C550 PolarHBondContact O-N 3.2Å; T548-C550 VanDerWaalsContact O-N 3.17Å; C550-C592 WeakPolarHBondContact CA-SG 3.2Å; C550-C592 HydrophobicContact CB-CB 4.45Å; C550-C592 WeakPolarHBondContact CB-SG 3.29Å; C550-C592 VanDerWaalsContact SG-CA 3.59Å; C550-C592 WeakPolarHBondContact SG-CB 3.42Å; C550-C592 CovalentContact SG-SG 2.04Å; C550-C592 PolarHBondContact SG-SG 3.28Å
551	Q	50.7	Low	48.3	Very low	163 Å²	163	79.7 Å²	79.7	76%	0.762	42%	0.417	S	S	*	.			trans	-101.9	112.8	165.6	-73.3	-172	-23.8	0	0	108.4	K549	K549-Q551 PolarHBondContact O-N 3.17Å
552	P	46.3	Very low	46.2	Very low	49 Å²	49	84.6 Å²	84.6	32%	0.318	44%	0.44	S	S	.	.			trans	-62.7	153.2	175	25.3	-32.1	0	0	0	110.4
553	P	46.8	Very low	44.2	Very low	27 Å²	27	89.5 Å²	89.5	18%	0.175	47%	0.47	C	S	.	.			trans	-64.4	142.9	-178.6	26.7	-32.2	0	0	0	109.7	T555 L556 E589	P553-T555 PolarHBondContact O-N 3.22Å; P553-L556 HydrophobicContact CG-CD1 3.96Å; P553-L556 PolarHBondContact O-N 2.9Å; P553-E589 VanDerWaalsContact CD-CD 3.42Å; P553-E589 WeakPolarHBondContact CD-OE1 3.4Å; P553-E589 WeakPolarHBondContact CG-OE1 3.24Å
554	K	49.4	Very low	42.3	Very low	175 Å²	175	94.5 Å²	94.5	76%	0.761	50%	0.501	S	S	*	.	H	α-helix	trans	-52.5	-29.1	-176.2	-70.7	-175	177.4	-177.7	0	113.8	L556 Q557 Q558	K554-L556 VanDerWaalsContact C-N 3.32Å; K554-L556 PolarHBondContact O-N 3.02Å; K554-Q557 WeakPolarHBondContact O-CB 3.17Å; K554-Q557 PolarHBondContact O-N 3.35Å; K554-Q558 PolarHBondContact O-N 3.45Å
555	T	45.6	Very low	41.1	Very low	94 Å²	94	100.7 Å²	100.7	58%	0.577	53%	0.533	S	S	*	.	H	α-helix	trans	-63.1	-34.1	177.1	41.8	0	0	0	0	113	P553 F559	P553-T555 PolarHBondContact O-N 3.22Å; T555-F559 VanDerWaalsContact O-CD2 3.29Å; T555-F559 WeakPolarHBondContact O-CD2 3.47Å
556	L	38	Very low	40	Very low	77 Å²	77	107.3 Å²	107.3	40%	0.403	57%	0.568	S	S	.	*	H	α-helix	trans	-76.5	-31.4	174.3	-86.8	161.8	0	0	0	112.3	P553 K554 Q558 F559 Q560 Y584	P553-L556 HydrophobicContact CG-CD1 3.96Å; P553-L556 PolarHBondContact O-N 2.9Å; K554-L556 VanDerWaalsContact C-N 3.32Å; K554-L556 PolarHBondContact O-N 3.02Å; L556-Q558 PolarHBondContact O-N 3.16Å; L556-F559 PolarHBondContact O-N 2.93Å; L556-Q560 PolarHBondContact O-N 2.89Å; L556-Y584 HydrophobicContact CD1-CD2 3.74Å; L556-Y584 HydrophobicContact CD1-CE2 3.65Å
557	Q	39	Very low	39.4	Very low	99 Å²	99	113.9 Å²	113.9	46%	0.463	60%	0.6	S	S	.	*	H	α-helix	trans	-63.3	-32	174.9	-67.9	-180	-20.1	0	0	112	K554 Q560 S561	K554-Q557 WeakPolarHBondContact O-CB 3.17Å; K554-Q557 PolarHBondContact O-N 3.35Å; Q557-Q560 PolarHBondContact O-N 3.5Å; Q557-S561 PolarHBondContact O-N 3.23Å; Q557-S561 PolarHBondContact O-OG 3.17Å
558	Q	36.5	Very low	38.9	Very low	143 Å²	143	119.8 Å²	119.8	67%	0.668	61%	0.605	S	S	*	*	H	α-helix	trans	-70.6	-27.2	175.1	-85	-178.3	-23.6	0	0	114	K554 L556 S561	K554-Q558 PolarHBondContact O-N 3.45Å; L556-Q558 PolarHBondContact O-N 3.16Å; Q558-S561 PolarHBondContact O-OG 3.12Å; Q558-S561 VanDerWaalsContact O-OG 3.05Å
559	F	36.4	Very low	38	Very low	156 Å²	156	128.2 Å²	128.2	68%	0.684	64%	0.639	S	S	*	*	H	α-helix	trans	-77.6	-27.1	174.9	-78.9	-76	0	0	0	112.5	T555 L556 S561 I562	T555-F559 VanDerWaalsContact O-CD2 3.29Å; T555-F559 WeakPolarHBondContact O-CD2 3.47Å; L556-F559 PolarHBondContact O-N 2.93Å; F559-S561 VanDerWaalsContact C-N 3.27Å; F559-S561 PolarHBondContact O-N 3.21Å; F559-I562 HydrophobicContact CD1-CD1 4.27Å
560	Q	35.9	Very low	37	Very low	169 Å²	169	127.1 Å²	127.1	79%	0.79	64%	0.637	S	S	*	*	H	α-helix	trans	-72.6	-19.9	173.3	-72.8	-174.8	-27.8	0	0	113.1	L556 Q557 I562	L556-Q560 PolarHBondContact O-N 2.89Å; Q557-Q560 PolarHBondContact O-N 3.5Å; Q560-I562 VanDerWaalsContact C-N 3.34Å
561	S	29.9	Very low	35.7	Very low	76 Å²	76	134.8 Å²	134.8	53%	0.531	67%	0.668	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.3	13.1	177.3	48.8	0	0	0	0	114.6	Q557 Q558 F559 T563	Q557-S561 PolarHBondContact O-N 3.23Å; Q557-S561 PolarHBondContact O-OG 3.17Å; Q558-S561 PolarHBondContact O-OG 3.12Å; Q558-S561 VanDerWaalsContact O-OG 3.05Å; F559-S561 VanDerWaalsContact C-N 3.27Å; F559-S561 PolarHBondContact O-N 3.21Å; S561-T563 PolarHBondContact O-N 2.77Å; S561-T563 PolarHBondContact O-OG1 2.87Å
562	I	29	Very low	34.7	Very low	119 Å²	119	134.3 Å²	134.3	61%	0.61	67%	0.67	S	S	*	*			trans	-79.2	69.1	159.7	-50.5	177	0	0	0	107.5	F559 Q560 T564	F559-I562 HydrophobicContact CD1-CD1 4.27Å; Q560-I562 VanDerWaalsContact C-N 3.34Å; I562-T564 PolarHBondContact O-N 3.27Å
563	T	30.2	Very low	34	Very low	107 Å²	107	137.5 Å²	137.5	66%	0.656	69%	0.69	S	S	*	*			trans	-58.3	105.2	168	-6.4	0	0	0	0	107.8	S561 I565	S561-T563 PolarHBondContact O-N 2.77Å; S561-T563 PolarHBondContact O-OG1 2.87Å; T563-I565 PolarHBondContact O-N 3.11Å
564	T	28.4	Very low	33.1	Very low	125 Å²	125	143.7 Å²	143.7	77%	0.767	72%	0.72	S	S	*	*			trans	29.5	66	145.4	18.2	0	0	0	0	114.7	I562 N566	I562-T564 PolarHBondContact O-N 3.27Å; T564-N566 PolarHBondContact O-N 2.69Å; T564-N566 VanDerWaalsContact O-N 3.07Å
565	I	29.2	Very low	32.1	Very low	132 Å²	132	143.3 Å²	143.3	68%	0.677	73%	0.726	S	S	*	*			trans	-71.9	105.6	161.1	-62.5	178	0	0	0	105.4	T563 H567	T563-I565 PolarHBondContact O-N 3.11Å; I565-H567 PolarHBondContact O-CD2 3.13Å; I565-H567 PolarHBondContact O-N 3.18Å
566	N	30.4	Very low	31.3	Very low	155 Å²	155	145.8 Å²	145.8	83%	0.829	74%	0.736	S	S	*	*			trans	-41.5	95.6	173.6	-80.1	-38.8	0	0	0	111.3	T564 K568	T564-N566 PolarHBondContact O-N 2.69Å; T564-N566 VanDerWaalsContact O-N 3.07Å; N566-K568 PolarHBondContact O-N 2.68Å; N566-K568 VanDerWaalsContact O-N 3.1Å
567	H	31.2	Very low	31	Very low	177 Å²	177	149.4 Å²	149.4	82%	0.819	76%	0.755	S	S	*	*			trans	-75	103.2	174.9	-93.4	-73.9	0	0	0	109.5	I565 K569	I565-H567 PolarHBondContact O-CD2 3.13Å; I565-H567 PolarHBondContact O-N 3.18Å; H567-K569 PolarHBondContact O-N 3.11Å
568	K	30.7	Very low	30.5	Very low	198 Å²	198	151.9 Å²	151.9	86%	0.861	77%	0.766	S	S	*	*			trans	-53.4	131.5	150.2	-86.1	-179.1	173.6	179.1	0	108.1	N566 E570	N566-K568 PolarHBondContact O-N 2.68Å; N566-K568 VanDerWaalsContact O-N 3.1Å; K568-E570 PolarHBondContact O-N 3.44Å; K568-E570 VanDerWaalsContact O-N 3.14Å
569	K	29.8	Very low	30.4	Very low	207 Å²	207	149.8 Å²	149.8	90%	0.9	77%	0.765	S	S	*	*			trans	-56.7	106.2	177.1	-72.9	173.7	172.9	178	0	111	H567	H567-K569 PolarHBondContact O-N 3.11Å
570	E	30.7	Very low	30.2	Very low	180 Å²	180	149.4 Å²	149.4	84%	0.841	77%	0.765	S	S	*	*			trans	-131	118.2	150.9	-83.7	-176.9	165.1	0	0	108.1	K568 I572	K568-E570 PolarHBondContact O-N 3.44Å; K568-E570 VanDerWaalsContact O-N 3.14Å; E570-I572 PolarHBondContact O-N 2.89Å
571	Q	26.2	Very low	30.1	Very low	202 Å²	202	148.8 Å²	148.8	94%	0.944	76%	0.762	S	S	*	*			trans	-76.4	116.2	-178.6	-72.7	169.9	-39.2	0	0	108.9
572	I	29.4	Very low	30.3	Very low	154 Å²	154	152.7 Å²	152.7	79%	0.79	77%	0.771	S	S	*	*			trans	-116.5	137.6	165.4	-60.4	178.4	0	0	0	107.5	E570 I574	E570-I572 PolarHBondContact O-N 2.89Å; I572-I574 PolarHBondContact O-N 3.01Å
573	P	30.7	Very low	31.1	Very low	115 Å²	115	152.5 Å²	152.5	75%	0.747	77%	0.771	S	S	*	*			trans	-81.3	124.6	-159.9	-6.4	24.8	0	0	0	112.8	L575	P573-L575 PolarHBondContact O-N 3.15Å; P573-L575 VanDerWaalsContact O-N 3.17Å
574	I	29.5	Very low	31.6	Very low	157 Å²	157	152.3 Å²	152.3	81%	0.805	76%	0.759	S	S	*	*			trans	5.1	89.4	149.8	-42.7	173.8	0	0	0	114.5	I572	I572-I574 PolarHBondContact O-N 3.01Å
575	L	26.9	Very low	32.8	Very low	167 Å²	167	146.9 Å²	146.9	87%	0.874	73%	0.726	S	S	*	*			trans	-86.6	124.8	156.6	-149.3	81.2	0	0	0	106.8	P573 D577	P573-L575 PolarHBondContact O-N 3.15Å; P573-L575 VanDerWaalsContact O-N 3.17Å; L575-D577 PolarHBondContact O-N 2.94Å
576	N	29.1	Very low	33.9	Very low	147 Å²	147	142.5 Å²	142.5	79%	0.786	71%	0.706	S	S	*	*			trans	-52.5	97.9	-176.7	-71.6	-34.4	0	0	0	112	H578	N576-H578 PolarHBondContact O-N 3.42Å
577	D	31.2	Very low	35.3	Very low	152 Å²	152	135.1 Å²	135.1	81%	0.813	67%	0.667	S	S	*	*			trans	-81.1	101.8	175.7	-124.7	-5.6	0	0	0	108.3	L575 P579	L575-D577 PolarHBondContact O-N 2.94Å; D577-P579 WeakPolarHBondContact O-CD 3.43Å
578	H	28.9	Very low	36.7	Very low	151 Å²	151	127.6 Å²	127.6	70%	0.699	63%	0.632	S	S	*	*			trans	-60.6	120.3	157.9	-79.6	-70	0	0	0	106.7	N576 H580	N576-H578 PolarHBondContact O-N 3.42Å; H578-H580 VanDerWaalsContact C-N 3.26Å; H578-H580 PolarHBondContact O-N 2.89Å
579	P	34.6	Very low	38.1	Very low	99 Å²	99	118.8 Å²	118.8	64%	0.643	59%	0.594	S	S	*	*			trans	-68.5	96.4	175.9	28.1	-29.8	0	0	0	106.3	D577 H581	D577-P579 WeakPolarHBondContact O-CD 3.43Å; P579-H581 PolarHBondContact O-N 3.29Å
580	H	32.1	Very low	39.6	Very low	149 Å²	149	114.4 Å²	114.4	69%	0.69	58%	0.575	S	S	*	*			trans	-62.9	84.2	160.1	-73.5	-74.5	0	0	0	105.9	H578 H582	H578-H580 VanDerWaalsContact C-N 3.26Å; H578-H580 PolarHBondContact O-N 2.89Å; H580-H582 PolarHBondContact O-N 2.87Å
581	H	34	Very low	41	Very low	156 Å²	156	111.3 Å²	111.3	72%	0.722	56%	0.564	S	S	*	*			trans	-61.9	81.7	160.7	-78.7	-16.1	0	0	0	106.5	P579 I583	P579-H581 PolarHBondContact O-N 3.29Å; H581-I583 HydrophobicContact CB-CG1 4.31Å; H581-I583 PolarHBondContact O-N 3.48Å
582	H	34.8	Very low	42.5	Very low	157 Å²	157	101.7 Å²	101.7	73%	0.727	52%	0.519	S	S	*	.			trans	-63	90.2	155.4	-70.2	-63.9	0	0	0	104.9	H580 Y584	H580-H582 PolarHBondContact O-N 2.87Å; H582-Y584 PolarHBondContact O-N 3.28Å
583	I	44.4	Very low	44.1	Very low	116 Å²	116	95.3 Å²	95.3	60%	0.595	49%	0.487	S	S	*	.			trans	-65.4	89.8	173.1	-59.5	172.9	0	0	0	105.4	H581 S585	H581-I583 HydrophobicContact CB-CG1 4.31Å; H581-I583 PolarHBondContact O-N 3.48Å; I583-S585 PolarHBondContact O-N 2.97Å; I583-S585 VanDerWaalsContact O-N 3.1Å
584	Y	41.3	Very low	45.8	Very low	102 Å²	102	92.6 Å²	92.6	40%	0.4	47%	0.466	S	S	.	.			trans	-66.7	105.5	170.8	169.8	-98.4	0	0	0	106.6	L556 H582 P586 E589	L556-Y584 HydrophobicContact CD1-CD2 3.74Å; L556-Y584 HydrophobicContact CD1-CE2 3.65Å; H582-Y584 PolarHBondContact O-N 3.28Å; Y584-P586 HydrophobicContact CD1-CG 4.44Å; Y584-P586 HydrophobicContact CE1-CB 4.18Å; Y584-P586 HydrophobicContact CE1-CG 3.83Å; Y584-E589 HydrophobicContact CE2-CG 4.38Å
585	S	53.7	Low	47.5	Very low	12 Å²	12	86 Å²	86	8%	0.084	43%	0.433	C	S	.	.			trans	-96.6	118.9	166.5	177.6	0	0	0	0	107.7	A318 I583 A587 I588	A318-S585 WeakPolarHBondContact O-CB 3.49Å; A318-S585 PolarHBondContact O-OG 2.68Å; I583-S585 PolarHBondContact O-N 2.97Å; I583-S585 VanDerWaalsContact O-N 3.1Å; S585-A587 PolarHBondContact O-N 3.07Å; S585-A587 VanDerWaalsContact OG-CB 3.24Å; S585-A587 WeakPolarHBondContact OG-CB 3.4Å; S585-A587 PolarHBondContact OG-N 3.03Å; S585-I588 WeakPolarHBondContact O-CG1 3.36Å; S585-I588 PolarHBondContact O-N 2.93Å
586	P	53.3	Low	49.5	Very low	40 Å²	40	82 Å²	82	26%	0.26	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-59.9	-19.1	174.4	-7.8	16.9	0	0	0	111.9	L545 Y584 I588 E589 C592	L545-P586 HydrophobicContact CD1-CB 3.63Å; L545-P586 HydrophobicContact CD1-CG 3.94Å; Y584-P586 HydrophobicContact CD1-CG 4.44Å; Y584-P586 HydrophobicContact CE1-CB 4.18Å; Y584-P586 HydrophobicContact CE1-CG 3.83Å; P586-I588 PolarHBondContact O-N 3.29Å; P586-I588 VanDerWaalsContact O-N 3.13Å; P586-E589 WeakPolarHBondContact O-CB 3.42Å; P586-E589 PolarHBondContact O-N 3.41Å; P586-C592 WeakPolarHBondContact O-CB 3.14Å; P586-C592 PolarHBondContact O-SG 3.43Å
587	A	59.6	Low	51	Low	0 Å²	0	79.9 Å²	79.9	0%	0	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-59.2	-23.4	178.2	0	0	0	0	0	114.7	F320 I518 A542 L545 S585 E589 I593	F320-A587 HydrophobicContact CE2-CB 3.77Å; F320-A587 HydrophobicContact CZ-CB 4.16Å; I518-A587 WeakPolarHBondContact CD1-O 3.21Å; A542-A587 HydrophobicContact CB-CB 4.31Å; A542-A587 WeakPolarHBondContact O-CB 3.29Å; L545-A587 HydrophobicContact CD2-CB 4Å; S585-A587 PolarHBondContact O-N 3.07Å; S585-A587 VanDerWaalsContact OG-CB 3.24Å; S585-A587 WeakPolarHBondContact OG-CB 3.4Å; S585-A587 PolarHBondContact OG-N 3.03Å; A587-E589 VanDerWaalsContact C-N 3.3Å; A587-I593 HydrophobicContact CB-CD1 4.05Å; A587-I593 HydrophobicContact CB-CG1 4.34Å; A587-I593 VanDerWaalsContact O-CD1 3.31Å; A587-I593 WeakPolarHBondContact O-CD1 3.31Å; A587-I593 VanDerWaalsContact O-CG1 3.29Å; A587-I593 WeakPolarHBondContact O-CG1 3.42Å
588	I	60.4	Low	52.6	Low	19 Å²	19	72.8 Å²	72.8	10%	0.097	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-88.8	4	177.9	60.6	158.9	0	0	0	113.3	F320 A511 R514 S585 P586	F320-I588 HydrophobicContact CE1-CG2 4.01Å; F320-I588 HydrophobicContact CE2-CG2 4.34Å; F320-I588 HydrophobicContact CZ-CG2 3.89Å; A511-I588 HydrophobicContact CB-CB 4.33Å; A511-I588 HydrophobicContact CB-CG2 3.86Å; R514-I588 PolarHBondContact NH1-O 3.26Å; S585-I588 WeakPolarHBondContact O-CG1 3.36Å; S585-I588 PolarHBondContact O-N 2.93Å; P586-I588 PolarHBondContact O-N 3.29Å; P586-I588 VanDerWaalsContact O-N 3.13Å
589	E	60.6	Low	54.5	Low	12 Å²	12	65.6 Å²	65.6	6%	0.056	32%	0.324	C	S	.	.	S	Bend	trans	-87.9	149.9	176.4	-63.6	-60	159.7	0	0	112.9	R514 P553 Y584 P586 A587 N591 C592	R514-E589 IonicContact CZ-OE1 2.79Å; R514-E589 VanDerWaalsContact CZ-OE1 3.23Å; R514-E589 IonicContact CZ-OE2 2.73Å; R514-E589 IonicContact NH1-OE1 3.68Å; R514-E589 PolarHBondContact NH1-OE1 3.03Å; R514-E589 IonicContact NH1-OE2 3.88Å; R514-E589 PolarHBondContact NH1-OE2 3.47Å; R514-E589 IonicContact NH2-OE1 3.37Å; R514-E589 PolarHBondContact NH2-OE1 3.21Å; R514-E589 IonicContact NH2-OE2 3.13Å; R514-E589 PolarHBondContact NH2-OE2 3.04Å; P553-E589 VanDerWaalsContact CD-CD 3.42Å; P553-E589 WeakPolarHBondContact CD-OE1 3.4Å; P553-E589 WeakPolarHBondContact CG-OE1 3.24Å; Y584-E589 HydrophobicContact CE2-CG 4.38Å; P586-E589 WeakPolarHBondContact O-CB 3.42Å; P586-E589 PolarHBondContact O-N 3.41Å; A587-E589 VanDerWaalsContact C-N 3.3Å; E589-N591 PolarHBondContact O-N 3.14Å; E589-C592 HydrophobicContact CB-CB 4.21Å; E589-C592 WeakPolarHBondContact O-CB 3.4Å; E589-C592 PolarHBondContact O-N 2.83Å
590	K	60.6	Low	56.2	Low	115 Å²	115	62.4 Å²	62.4	50%	0.5	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	132.2	-179.8	-166.9	177	-177.4	178.9	0	109.2	C592 H663	K590-C592 PolarHBondContact O-N 3.43Å; K590-H663 PolarHBondContact NZ-NE2 2.94Å
591	N	60.3	Low	57.8	Low	115 Å²	115	60.1 Å²	60.1	62%	0.615	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	11.5	-177.9	-50.2	-28.1	0	0	0	116.3	E589	E589-N591 PolarHBondContact O-N 3.14Å
592	C	57.7	Low	59.7	Low	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-24.8	173.2	-82.3	0	0	0	0	113.7	L545 T548 C550 P586 E589 K590	L545-C592 HydrophobicContact CD2-CB 4.22Å; L545-C592 WeakPolarHBondContact CD2-O 3.4Å; T548-C592 WeakPolarHBondContact CB-O 3.48Å; T548-C592 VanDerWaalsContact CG2-O 3.27Å; T548-C592 WeakPolarHBondContact CG2-O 3.38Å; T548-C592 PolarHBondContact OG1-O 2.94Å; C550-C592 WeakPolarHBondContact CA-SG 3.2Å; C550-C592 HydrophobicContact CB-CB 4.45Å; C550-C592 WeakPolarHBondContact CB-SG 3.29Å; C550-C592 VanDerWaalsContact SG-CA 3.59Å; C550-C592 WeakPolarHBondContact SG-CB 3.42Å; C550-C592 CovalentContact SG-SG 2.04Å; C550-C592 PolarHBondContact SG-SG 3.28Å; P586-C592 WeakPolarHBondContact O-CB 3.14Å; P586-C592 PolarHBondContact O-SG 3.43Å; E589-C592 HydrophobicContact CB-CB 4.21Å; E589-C592 WeakPolarHBondContact O-CB 3.4Å; E589-C592 PolarHBondContact O-N 2.83Å; K590-C592 PolarHBondContact O-N 3.43Å
593	I	62.7	Low	61.7	Low	21 Å²	21	46.9 Å²	46.9	11%	0.108	24%	0.235	C	C	.	.			trans	-101.2	122.1	172.8	-56.8	-163.2	0	0	0	108.5	F320 I518 A541 L545 A587 P595	F320-I593 HydrophobicContact CE2-CD1 4.24Å; F320-I593 HydrophobicContact CZ-CD1 3.77Å; I518-I593 HydrophobicContact CD1-CB 3.71Å; I518-I593 HydrophobicContact CD1-CD1 3.38Å; I518-I593 HydrophobicContact CD1-CG1 3.49Å; I518-I593 VanDerWaalsContact CD1-CG1 3.49Å; A541-I593 HydrophobicContact CB-CD1 4.32Å; A541-I593 HydrophobicContact CB-CG2 3.78Å; A541-I593 WeakPolarHBondContact O-CD1 3.44Å; A541-I593 WeakPolarHBondContact O-CG1 3.36Å; L545-I593 HydrophobicContact CD2-CG1 4.35Å; A587-I593 HydrophobicContact CB-CD1 4.05Å; A587-I593 HydrophobicContact CB-CG1 4.34Å; A587-I593 VanDerWaalsContact O-CD1 3.31Å; A587-I593 WeakPolarHBondContact O-CD1 3.31Å; A587-I593 VanDerWaalsContact O-CG1 3.29Å; A587-I593 WeakPolarHBondContact O-CG1 3.42Å; I593-P595 HydrophobicContact CG2-CG 4.45Å; I593-P595 WeakPolarHBondContact O-CD 3.41Å
594	N	66.5	Low	63.7	Low	58 Å²	58	41.4 Å²	41.4	31%	0.31	21%	0.207	S	C	.	.			trans	-105.1	102.2	164.1	-173.4	-26.2	0	0	0	108.9	T548 N596 Y597 A598	T548-N594 HydrophobicContact CG2-CB 3.89Å; N594-N596 PolarHBondContact O-N 3.31Å; N594-N596 PolarHBondContact OD1-N 3.17Å; N594-N596 VanDerWaalsContact OD1-N 3.1Å; N594-Y597 HydrophobicContact CB-CD2 3.81Å; N594-Y597 VanDerWaalsContact CG-CD2 3.43Å; N594-Y597 WeakPolarHBondContact ND2-CD2 3.15Å; N594-Y597 WeakPolarHBondContact ND2-CE2 3.39Å; N594-Y597 PolarHBondContact O-N 2.72Å; N594-A598 PolarHBondContact O-N 3.31Å
595	P	65.8	Low	66	Low	17 Å²	17	36.6 Å²	36.6	11%	0.11	19%	0.188	C	C	.	.	H	α-helix	trans	-58.9	-33.6	-177	-22.4	32.4	0	0	0	113.2	I593 Y597 A598 T599 I665 T667	I593-P595 HydrophobicContact CG2-CG 4.45Å; I593-P595 WeakPolarHBondContact O-CD 3.41Å; P595-Y597 VanDerWaalsContact C-N 3.34Å; P595-Y597 PolarHBondContact O-N 2.91Å; P595-A598 WeakPolarHBondContact O-CB 3.37Å; P595-A598 PolarHBondContact O-N 3.36Å; P595-T599 PolarHBondContact O-N 3.13Å; P595-T599 PolarHBondContact O-OG1 3.28Å; P595-I665 HydrophobicContact CG-CB 4.11Å; P595-I665 HydrophobicContact CG-CD1 4.36Å; P595-I665 HydrophobicContact CG-CG2 4.37Å; P595-T667 HydrophobicContact CB-CG2 3.39Å
596	N	67.5	Low	67.8	Low	83 Å²	83	36.1 Å²	36.1	44%	0.444	18%	0.184	S	C	.	.	H	α-helix	trans	-67.8	-32.9	-178.3	-68.9	-18.1	0	0	0	112.9	N594 A598 T599 N600 T667	N594-N596 PolarHBondContact O-N 3.31Å; N594-N596 PolarHBondContact OD1-N 3.17Å; N594-N596 VanDerWaalsContact OD1-N 3.1Å; N596-A598 VanDerWaalsContact C-N 3.3Å; N596-T599 PolarHBondContact O-OG1 2.88Å; N596-N600 WeakPolarHBondContact O-CB 3.42Å; N596-N600 PolarHBondContact O-N 3.07Å; N596-N600 VanDerWaalsContact O-N 3.08Å; N596-T667 PolarHBondContact OD1-OG1 3.22Å
597	Y	61.9	Low	69.4	Low	103 Å²	103	34.2 Å²	34.2	40%	0.404	17%	0.172	S	C	.	.	H	α-helix	trans	-72	-28.5	172.6	-80.2	-72.3	0	0	0	112.1	N594 P595 T599 N601	N594-Y597 HydrophobicContact CB-CD2 3.81Å; N594-Y597 VanDerWaalsContact CG-CD2 3.43Å; N594-Y597 WeakPolarHBondContact ND2-CD2 3.15Å; N594-Y597 WeakPolarHBondContact ND2-CE2 3.39Å; N594-Y597 PolarHBondContact O-N 2.72Å; P595-Y597 VanDerWaalsContact C-N 3.34Å; P595-Y597 PolarHBondContact O-N 2.91Å; Y597-T599 VanDerWaalsContact C-N 3.35Å; Y597-N601 HydrophobicContact CD1-CB 4.37Å
598	A	64.4	Low	70.5	Confident	3 Å²	3	35 Å²	35	3%	0.025	18%	0.176	C	C	.	.	H	α-helix	trans	-72.3	-29.3	-179.5	0	0	0	0	0	112.6	V537 N540 A541 N594 P595 N596 L602	V537-A598 HydrophobicContact CG1-CB 4.15Å; N540-A598 HydrophobicContact CB-CB 4.19Å; A541-A598 HydrophobicContact CB-CB 4.04Å; N594-A598 PolarHBondContact O-N 3.31Å; P595-A598 WeakPolarHBondContact O-CB 3.37Å; P595-A598 PolarHBondContact O-N 3.36Å; N596-A598 VanDerWaalsContact C-N 3.3Å; A598-L602 WeakPolarHBondContact O-CD2 3.33Å
599	T	68.3	Low	71	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-101.3	-42	-177.1	48.5	0	0	0	0	114.6	V537 P595 N596 Y597 T667	V537-T599 HydrophobicContact CG1-CG2 3.89Å; V537-T599 HydrophobicContact CG2-CG2 4.13Å; P595-T599 PolarHBondContact O-N 3.13Å; P595-T599 PolarHBondContact O-OG1 3.28Å; N596-T599 PolarHBondContact O-OG1 2.88Å; Y597-T599 VanDerWaalsContact C-N 3.35Å; T599-T667 HydrophobicContact CG2-CG2 3.49Å; T599-T667 VanDerWaalsContact CG2-CG2 3.49Å; T599-T667 PolarHBondContact OG1-OG1 3.36Å
600	N	70.2	Confident	71.4	Confident	32 Å²	32	38.3 Å²	38.3	17%	0.171	19%	0.191	C	C	.	.	H	α-helix	trans	-95.8	-25.5	-166.1	-67.6	-26.1	0	0	0	115	N596 G668 N670	N596-N600 WeakPolarHBondContact O-CB 3.42Å; N596-N600 PolarHBondContact O-N 3.07Å; N596-N600 VanDerWaalsContact O-N 3.08Å; N600-G668 PolarHBondContact OD1-O 2.95Å; N600-N670 PolarHBondContact ND2-ND2 3.48Å; N600-N670 VanDerWaalsContact ND2-ND2 3.16Å; N600-N670 PolarHBondContact ND2-OD1 3.06Å; N600-N670 WeakPolarHBondContact OD1-CB 3.44Å; N600-N670 PolarHBondContact OD1-N 3.32Å; N600-N670 PolarHBondContact OD1-ND2 3.14Å; N600-N670 PolarHBondContact OD1-OD1 3.34Å
601	N	66.4	Low	71.4	Confident	100 Å²	100	40.1 Å²	40.1	54%	0.535	21%	0.205	S	C	.	.	S	Bend	trans	-117.8	29.5	-176.8	-67.5	-12.1	0	0	0	111.8	R546 Y597	R546-N601 PolarHBondContact NH1-O 3.09Å; R546-N601 VanDerWaalsContact NH1-O 3.08Å; Y597-N601 HydrophobicContact CD1-CB 4.37Å
602	L	73.5	Confident	71.5	Confident	9 Å²	9	39.2 Å²	39.2	5%	0.047	21%	0.207	C	C	.	.			trans	-105.8	116.2	178.1	164.8	59.4	0	0	0	108.4	Q536 V537 N540 A598 R604	Q536-L602 HydrophobicContact CB-CD2 3.59Å; V537-L602 HydrophobicContact CG2-CD2 4.22Å; N540-L602 WeakPolarHBondContact ND2-CB 3.45Å; N540-L602 WeakPolarHBondContact ND2-CD1 3.38Å; N540-L602 WeakPolarHBondContact ND2-CD2 3.5Å; N540-L602 VanDerWaalsContact ND2-CG 3.34Å; N540-L602 WeakPolarHBondContact ND2-CG 3.48Å; A598-L602 WeakPolarHBondContact O-CD2 3.33Å; L602-R604 PolarHBondContact O-N 3.29Å
603	T	77.1	Confident	72.2	Confident	26 Å²	26	43.1 Å²	43.1	16%	0.16	22%	0.224	C	C	.	.			trans	-67.4	115.8	169.2	-48.3	0	0	0	0	109.1	H627	T603-H627 PolarHBondContact OG1-CE1 3.19Å; T603-H627 PolarHBondContact OG1-NE2 2.66Å
604	R	85.7	Confident	72.7	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.008	23%	0.232	C	C	.	.			trans	-79.6	142.7	-179.3	-62.4	178.1	-171.9	174.7	10.6	112.3	D533 L602 L619 E620 W650 G652 D669	D533-R604 IonicContact OD2-NH1 2.77Å; L602-R604 PolarHBondContact O-N 3.29Å; R604-L619 WeakPolarHBondContact O-CA 3.46Å; R604-E620 HydrophobicContact CB-CB 4.07Å; R604-E620 WeakPolarHBondContact CG-OE2 3.47Å; R604-E620 PolarHBondContact N-OE2 3.26Å; R604-E620 PolarHBondContact O-N 2.99Å; R604-W650 HydrophobicContact CB-CD2 4.19Å; R604-W650 HydrophobicContact CB-CE3 4.38Å; R604-W650 HydrophobicContact CB-CH2 3.62Å; R604-W650 HydrophobicContact CB-CZ2 3.37Å; R604-W650 HydrophobicContact CB-CZ3 4.1Å; R604-W650 VanDerWaalsContact CD-NE1 3.28Å; R604-W650 HydrophobicContact CG-CZ2 4.33Å; R604-G652 PolarHBondContact NH1-O 3.29Å; R604-D669 IonicContact CZ-OD1 3.55Å; R604-D669 IonicContact CZ-OD2 2.84Å; R604-D669 IonicContact NH1-OD2 3.9Å; R604-D669 PolarHBondContact NH1-OD2 3.47Å; R604-D669 IonicContact NH2-OD1 2.72Å; R604-D669 PolarHBondContact NH2-OD1 3Å; R604-D669 IonicContact NH2-OD2 3.67Å; R604-D669 PolarHBondContact NH2-OD2 2.84Å
605	I	89.6	Confident	73.2	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	143.2	170.8	-170.8	174	0	0	0	109.7	L368 M372 Q536 I617 T618 L619 L634	L368-I605 HydrophobicContact CB-CD1 4.49Å; L368-I605 HydrophobicContact CD2-CG2 3.77Å; M372-I605 HydrophobicContact CE-CG2 3.64Å; M372-I605 HydrophobicContact CG-CD1 3.64Å; M372-I605 HydrophobicContact CG-CG1 3.92Å; M372-I605 HydrophobicContact CG-CG2 4.25Å; M372-I605 HydrophobicContact SD-CB 4.15Å; M372-I605 HydrophobicContact SD-CD1 4.08Å; M372-I605 HydrophobicContact SD-CG1 3.64Å; M372-I605 HydrophobicContact SD-CG2 3.75Å; Q536-I605 PolarHBondContact NE2-O 3.28Å; Q536-I605 VanDerWaalsContact OE1-N 3.12Å; I605-I617 HydrophobicContact CD1-CB 4.46Å; I605-I617 HydrophobicContact CD1-CD1 3.72Å; I605-I617 HydrophobicContact CD1-CG2 4.43Å; I605-I617 HydrophobicContact CG1-CB 4.3Å; I605-I617 HydrophobicContact CG1-CD1 4.29Å; I605-T618 CarbonylContact C-O 3.54Å; I605-T618 VanDerWaalsContact CA-O 3.31Å; I605-T618 WeakPolarHBondContact CA-O 3.48Å; I605-L619 HydrophobicContact CB-CD2 3.61Å; I605-L619 HydrophobicContact CD1-CD2 3.78Å; I605-L619 HydrophobicContact CG1-CD2 3.5Å; I605-L619 HydrophobicContact CG1-CG 4.47Å; I605-L634 HydrophobicContact CD1-CD1 4.41Å
606	H	91.1	Very high	74.3	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.009	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	140.4	175.2	-166.3	-82.7	0	0	0	110.8	W529 I617 T618 W650	W529-H606 WeakPolarHBondContact CA-NE2 3.49Å; W529-H606 AromaticContact CD1-CD2 3.95Å; W529-H606 HydrophobicContact CD2-CB 4.29Å; W529-H606 AromaticContact CD2-CD2 3.44Å; W529-H606 VanDerWaalsContact CD2-CD2 3.44Å; W529-H606 AromaticContact CD2-CE1 3.83Å; W529-H606 AromaticContact CD2-CG 3.54Å; W529-H606 AromaticContact CD2-ND1 3.77Å; W529-H606 AromaticContact CD2-NE2 3.68Å; W529-H606 AromaticContact CE2-CD2 3.71Å; W529-H606 AromaticContact CE2-CG 3.53Å; W529-H606 AromaticContact CE3-CD2 3.79Å; W529-H606 AromaticContact CE3-CE1 3.35Å; W529-H606 AromaticContact CE3-CG 3.61Å; W529-H606 AromaticContact CE3-ND1 3.31Å; W529-H606 VanDerWaalsContact CE3-ND1 3.31Å; W529-H606 AromaticContact CE3-NE2 3.67Å; W529-H606 AromaticContact CG-CD2 3.64Å; W529-H606 AromaticContact CG-NE2 3.82Å; W529-H606 HydrophobicContact CH2-CB 3.77Å; W529-H606 AromaticContact CH2-CG 3.7Å; W529-H606 AromaticContact CH2-ND1 3.64Å; W529-H606 HydrophobicContact CZ2-CB 3.49Å; W529-H606 VanDerWaalsContact CZ2-CB 3.49Å; W529-H606 AromaticContact CZ2-CG 3.64Å; W529-H606 HydrophobicContact CZ3-CB 4.27Å; W529-H606 AromaticContact CZ3-CE1 3.72Å; W529-H606 AromaticContact CZ3-CG 3.69Å; W529-H606 AromaticContact CZ3-ND1 3.23Å; W529-H606 WeakPolarHBondContact CZ3-ND1 3.44Å; W529-H606 AromaticContact NE1-CD2 3.99Å; H606-I617 CarbonylContact O-C 3.55Å; H606-I617 VanDerWaalsContact O-CA 3.28Å; H606-I617 WeakPolarHBondContact O-CA 3.35Å; H606-T618 PolarHBondContact N-O 2.98Å; H606-T618 PolarHBondContact O-N 2.87Å; H606-W650 HydrophobicContact CB-CH2 3.92Å; H606-W650 HydrophobicContact CB-CZ2 4.08Å
607	P	88.7	Confident	75.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	132	171.9	31.7	-33.2	0	0	0	110.3	M372 A375 R376 Y609	M372-P607 HydrophobicContact SD-CB 4.42Å; M372-P607 WeakPolarHBondContact SD-CD 3.43Å; M372-P607 HydrophobicContact SD-CG 4.38Å; A375-P607 HydrophobicContact CB-CG 4.04Å; R376-P607 HydrophobicContact CG-CB 3.79Å; R376-P607 HydrophobicContact CG-CG 4.38Å; P607-Y609 HydrophobicContact CG-CE2 4.26Å
608	N	82.2	Confident	76.7	Confident	17 Å²	17	32.6 Å²	32.6	9%	0.091	18%	0.175	C	C	.	.			trans	-91.1	142.8	173.6	-69.8	-19	0	0	0	110.6	S616 I617 T618	N608-S616 WeakPolarHBondContact CB-OG 3.38Å; N608-S616 PolarHBondContact N-O 2.93Å; N608-I617 PolarHBondContact ND2-O 2.62Å; N608-T618 VanDerWaalsContact CG-OG1 3.25Å; N608-T618 PolarHBondContact ND2-N 2.82Å; N608-T618 PolarHBondContact ND2-OG1 3.46Å; N608-T618 PolarHBondContact OD1-OG1 3.45Å
609	Y	70	Confident	77.9	Confident	46 Å²	46	32.6 Å²	32.6	18%	0.18	17%	0.174	C	C	.	.			trans	-111.3	72.4	178.8	-59.3	-72.6	0	0	0	109.8	R376 E379 V431 P607	R376-Y609 WeakPolarHBondContact CA-OH 3.45Å; R376-Y609 HydrophobicContact CB-CE1 4.28Å; R376-Y609 HydrophobicContact CG-CE1 3.85Å; E379-Y609 WeakPolarHBondContact OE2-CE2 3.48Å; E379-Y609 PolarHBondContact OE2-OH 3.32Å; V431-Y609 HydrophobicContact CB-CD1 4.45Å; V431-Y609 HydrophobicContact CB-CG 4.4Å; V431-Y609 HydrophobicContact CG1-CD1 3.25Å; V431-Y609 HydrophobicContact CG1-CD2 4.35Å; V431-Y609 HydrophobicContact CG1-CE1 3.68Å; V431-Y609 HydrophobicContact CG1-CG 3.61Å; P607-Y609 HydrophobicContact CG-CE2 4.26Å
610	N	68.8	Low	78.7	Confident	53 Å²	53	33 Å²	33	28%	0.283	18%	0.176	S	C	.	.			trans	-122.5	112.3	175.3	-170.5	-26.1	0	0	0	109.2	S612 K613 L614	N610-S612 PolarHBondContact O-N 3.3Å; N610-S612 VanDerWaalsContact O-N 3.13Å; N610-S612 WeakPolarHBondContact OD1-CB 3.48Å; N610-S612 PolarHBondContact OD1-N 3.27Å; N610-S612 PolarHBondContact OD1-OG 3.13Å; N610-K613 HydrophobicContact CB-CB 4.2Å; N610-K613 CarbonylContact O-C 3.57Å; N610-K613 WeakPolarHBondContact O-CA 3.39Å; N610-K613 PolarHBondContact O-N 3.3Å; N610-L614 PolarHBondContact O-N 3.38Å
611	I	61.4	Low	79	Confident	154 Å²	154	36.3 Å²	36.3	79%	0.79	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-30.2	-179.7	-58.7	171.4	0	0	0	111.1
612	S	62.3	Low	78.8	Confident	96 Å²	96	35.3 Å²	35.3	67%	0.671	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-18.6	176.3	71.2	0	0	0	0	113.9	N610	N610-S612 PolarHBondContact O-N 3.3Å; N610-S612 VanDerWaalsContact O-N 3.13Å; N610-S612 WeakPolarHBondContact OD1-CB 3.48Å; N610-S612 PolarHBondContact OD1-N 3.27Å; N610-S612 PolarHBondContact OD1-OG 3.13Å
613	K	71.8	Confident	78.2	Confident	81 Å²	81	36.9 Å²	36.9	35%	0.352	19%	0.193	S	C	.	.	S	Bend	trans	-128.4	67.7	179.5	-58.2	178.9	-174.5	173.2	0	109.4	N610 S616 H641	N610-K613 HydrophobicContact CB-CB 4.2Å; N610-K613 CarbonylContact O-C 3.57Å; N610-K613 WeakPolarHBondContact O-CA 3.39Å; N610-K613 PolarHBondContact O-N 3.3Å; K613-S616 WeakPolarHBondContact O-CB 3.34Å; K613-S616 PolarHBondContact O-N 2.87Å; K613-S616 PolarHBondContact O-OG 3.24Å; K613-H641 HydrophobicContact CB-CB 4.46Å
614	L	72.8	Confident	77.6	Confident	51 Å²	51	39.3 Å²	39.3	27%	0.267	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	147.1	176	-62.5	173.7	0	0	0	110.4	Q428 N610 S616	Q428-L614 HydrophobicContact CG-CD1 4.33Å; Q428-L614 HydrophobicContact CG-CD2 3.68Å; N610-L614 PolarHBondContact O-N 3.38Å; L614-S616 PolarHBondContact O-N 2.79Å
615	S	79	Confident	76.6	Confident	8 Å²	8	46 Å²	46	6%	0.056	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	26.4	179.8	-45.7	0	0	0	0	113.1	V422 S427 Y639	V422-S615 WeakPolarHBondContact CG1-OG 3.06Å; S427-S615 PolarHBondContact OG-N 3.25Å; S427-S615 VanDerWaalsContact OG-N 3.14Å; S615-Y639 WeakPolarHBondContact O-CD1 3.49Å
616	S	86.9	Confident	75.6	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	148	173.9	51.3	0	0	0	0	111.4	R376 N608 K613 L614 H641	R376-S616 PolarHBondContact NH2-O 3.4Å; N608-S616 WeakPolarHBondContact CB-OG 3.38Å; N608-S616 PolarHBondContact N-O 2.93Å; K613-S616 WeakPolarHBondContact O-CB 3.34Å; K613-S616 PolarHBondContact O-N 2.87Å; K613-S616 PolarHBondContact O-OG 3.24Å; L614-S616 PolarHBondContact O-N 2.79Å; S616-H641 WeakPolarHBondContact CA-O 3.37Å; S616-H641 WeakPolarHBondContact CB-O 3.36Å
617	I	90.7	Very high	74.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	154.7	174.3	52.7	169.4	0	0	0	109.5	M372 I605 H606 N608 L619 L634 Y639 H641 I642 E643	M372-I617 HydrophobicContact CG-CG2 4.42Å; I605-I617 HydrophobicContact CD1-CB 4.46Å; I605-I617 HydrophobicContact CD1-CD1 3.72Å; I605-I617 HydrophobicContact CD1-CG2 4.43Å; I605-I617 HydrophobicContact CG1-CB 4.3Å; I605-I617 HydrophobicContact CG1-CD1 4.29Å; H606-I617 CarbonylContact O-C 3.55Å; H606-I617 VanDerWaalsContact O-CA 3.28Å; H606-I617 WeakPolarHBondContact O-CA 3.35Å; N608-I617 PolarHBondContact ND2-O 2.62Å; I617-L619 HydrophobicContact CD1-CD1 4.44Å; I617-L619 HydrophobicContact CD1-CG 4.32Å; I617-L634 HydrophobicContact CD1-CD1 3.87Å; I617-L634 HydrophobicContact CD1-CD2 4.38Å; I617-Y639 HydrophobicContact CB-CD1 4.28Å; I617-Y639 HydrophobicContact CB-CE1 4.5Å; I617-Y639 HydrophobicContact CD1-CD1 3.91Å; I617-Y639 HydrophobicContact CD1-CD2 4.49Å; I617-Y639 HydrophobicContact CD1-CE1 4.47Å; I617-Y639 HydrophobicContact CD1-CG 3.95Å; I617-Y639 HydrophobicContact CG1-CD1 3.86Å; I617-Y639 HydrophobicContact CG1-CE1 4.5Å; I617-Y639 HydrophobicContact CG1-CG 4.29Å; I617-Y639 HydrophobicContact CG2-CD1 3.5Å; I617-Y639 HydrophobicContact CG2-CE1 3.31Å; I617-H641 PolarHBondContact N-O 2.76Å; I617-I642 HydrophobicContact CD1-CD1 4.37Å; I617-I642 HydrophobicContact CD1-CG1 4.06Å; I617-I642 HydrophobicContact CG1-CB 4.48Å; I617-I642 HydrophobicContact CG1-CG1 3.93Å; I617-I642 HydrophobicContact CG1-CG2 4.46Å; I617-I642 WeakPolarHBondContact O-CA 3.39Å; I617-E643 PolarHBondContact O-N 3.43Å
618	T	90.3	Very high	74.1	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135	168.2	-64.1	0	0	0	0	109.1	W529 I605 H606 N608 E643 L645 W650	W529-T618 HydrophobicContact CH2-CG2 4.38Å; W529-T618 HydrophobicContact CZ2-CG2 4.36Å; I605-T618 CarbonylContact C-O 3.54Å; I605-T618 VanDerWaalsContact CA-O 3.31Å; I605-T618 WeakPolarHBondContact CA-O 3.48Å; H606-T618 PolarHBondContact N-O 2.98Å; H606-T618 PolarHBondContact O-N 2.87Å; N608-T618 VanDerWaalsContact CG-OG1 3.25Å; N608-T618 PolarHBondContact ND2-N 2.82Å; N608-T618 PolarHBondContact ND2-OG1 3.46Å; N608-T618 PolarHBondContact OD1-OG1 3.45Å; T618-E643 CarbonylContact C-O 3.14Å; T618-E643 WeakPolarHBondContact CA-O 3.45Å; T618-E643 HydrophobicContact CG2-CB 4.47Å; T618-E643 HydrophobicContact CG2-CG 4.48Å; T618-L645 HydrophobicContact CG2-CB 4.19Å; T618-L645 HydrophobicContact CG2-CD1 3.57Å; T618-L645 HydrophobicContact CG2-CG 3.56Å; T618-W650 HydrophobicContact CG2-CH2 4.42Å; T618-W650 HydrophobicContact CG2-CZ3 3.82Å
619	L	89.7	Confident	74.2	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.01	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	142.7	176.3	-71.1	176.3	0	0	0	110.5	R604 I605 I617 F623 I631 L634 I642 E643 L644 L645	R604-L619 WeakPolarHBondContact O-CA 3.46Å; I605-L619 HydrophobicContact CB-CD2 3.61Å; I605-L619 HydrophobicContact CD1-CD2 3.78Å; I605-L619 HydrophobicContact CG1-CD2 3.5Å; I605-L619 HydrophobicContact CG1-CG 4.47Å; I617-L619 HydrophobicContact CD1-CD1 4.44Å; I617-L619 HydrophobicContact CD1-CG 4.32Å; L619-F623 HydrophobicContact CB-CZ 4.26Å; L619-I631 HydrophobicContact CD1-CG1 3.99Å; L619-L634 HydrophobicContact CD1-CD1 3.92Å; L619-L634 HydrophobicContact CD2-CD1 4.45Å; L619-I642 HydrophobicContact CB-CG2 4.32Å; L619-I642 HydrophobicContact CD1-CG2 3.5Å; L619-I642 HydrophobicContact CG-CG2 3.94Å; L619-E643 PolarHBondContact N-O 2.99Å; L619-L644 HydrophobicContact CB-CD2 4.01Å; L619-L644 WeakPolarHBondContact O-CA 3.42Å; L619-L645 PolarHBondContact O-N 3.42Å
620	E	85.3	Confident	74.8	Confident	10 Å²	10	58.1 Å²	58.1	5%	0.047	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	137.7	174.3	-175	175.1	-133.2	0	0	112.2	R604 F623 L645 I647 W650 H671	R604-E620 HydrophobicContact CB-CB 4.07Å; R604-E620 WeakPolarHBondContact CG-OE2 3.47Å; R604-E620 PolarHBondContact N-OE2 3.26Å; R604-E620 PolarHBondContact O-N 2.99Å; E620-F623 VanDerWaalsContact O-CE1 3.22Å; E620-F623 WeakPolarHBondContact O-CE1 3.42Å; E620-L645 CarbonylContact C-O 3.42Å; E620-L645 WeakPolarHBondContact CA-O 3.26Å; E620-I647 HydrophobicContact CG-CG1 3.96Å; E620-W650 HydrophobicContact CB-CE3 3.88Å; E620-W650 HydrophobicContact CB-CZ3 4Å; E620-W650 HydrophobicContact CG-CE3 4.4Å; E620-H671 IonicContact OE1-CD2 2.79Å; E620-H671 PolarHBondContact OE1-CD2 2.95Å; E620-H671 IonicContact OE1-NE2 3.36Å; E620-H671 PolarHBondContact OE1-NE2 3.19Å
621	Y	76.1	Confident	75.6	Confident	102 Å²	102	56.5 Å²	56.5	40%	0.4	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	140.3	-179.8	178.9	-85.6	0	0	0	110.1	F623 L645 L646 I647	Y621-F623 HydrophobicContact CD2-CB 4.45Å; Y621-F623 AromaticContact CD2-CD2 3.4Å; Y621-F623 HydrophobicContact CD2-CD2 3.4Å; Y621-F623 VanDerWaalsContact CD2-CD2 3.4Å; Y621-F623 AromaticContact CD2-CE2 3.66Å; Y621-F623 HydrophobicContact CD2-CE2 3.66Å; Y621-F623 AromaticContact CD2-CG 3.92Å; Y621-F623 HydrophobicContact CD2-CG 3.92Å; Y621-F623 HydrophobicContact CD2-CZ 4.4Å; Y621-F623 HydrophobicContact CE2-CB 4.35Å; Y621-F623 AromaticContact CE2-CD2 3.8Å; Y621-F623 HydrophobicContact CE2-CD2 3.8Å; Y621-F623 HydrophobicContact CE2-CE2 4.44Å; Y621-F623 HydrophobicContact CE2-CG 4.27Å; Y621-L645 PolarHBondContact N-O 3.36Å; Y621-L646 HydrophobicContact CD1-CD2 3.64Å; Y621-L646 HydrophobicContact CE1-CD2 4.21Å; Y621-I647 WeakPolarHBondContact O-CG1 3.41Å; Y621-I647 PolarHBondContact O-N 2.75Å; Y621-I647 VanDerWaalsContact O-N 3.16Å
622	P	61.3	Low	76.9	Confident	78 Å²	78	53.8 Å²	53.8	51%	0.506	28%	0.282	S	S	.	.			cis	-94.5	156.9	30.6	34.8	-34.7	0	0	0	118.6	I647	P622-I647 VanDerWaalsContact CD-CD1 3.48Å
623	F	61.6	Low	78.2	Confident	43 Å²	43	50.9 Å²	50.9	19%	0.189	26%	0.257	C	S	.	.			trans	-100.7	135.7	-179.3	-63.4	-43.2	0	0	0	113.1	L619 E620 Y621 H627 I631 L644	L619-F623 HydrophobicContact CB-CZ 4.26Å; E620-F623 VanDerWaalsContact O-CE1 3.22Å; E620-F623 WeakPolarHBondContact O-CE1 3.42Å; Y621-F623 HydrophobicContact CD2-CB 4.45Å; Y621-F623 AromaticContact CD2-CD2 3.4Å; Y621-F623 HydrophobicContact CD2-CD2 3.4Å; Y621-F623 VanDerWaalsContact CD2-CD2 3.4Å; Y621-F623 AromaticContact CD2-CE2 3.66Å; Y621-F623 HydrophobicContact CD2-CE2 3.66Å; Y621-F623 AromaticContact CD2-CG 3.92Å; Y621-F623 HydrophobicContact CD2-CG 3.92Å; Y621-F623 HydrophobicContact CD2-CZ 4.4Å; Y621-F623 HydrophobicContact CE2-CB 4.35Å; Y621-F623 AromaticContact CE2-CD2 3.8Å; Y621-F623 HydrophobicContact CE2-CD2 3.8Å; Y621-F623 HydrophobicContact CE2-CE2 4.44Å; Y621-F623 HydrophobicContact CE2-CG 4.27Å; F623-H627 HydrophobicContact CB-CB 3.7Å; F623-H627 HydrophobicContact CD1-CB 3.24Å; F623-H627 AromaticContact CD1-CG 3.66Å; F623-H627 AromaticContact CD1-ND1 3.5Å; F623-H627 HydrophobicContact CE1-CB 4.08Å; F623-H627 HydrophobicContact CG-CB 3.72Å; F623-I631 HydrophobicContact CD2-CD1 3.94Å; F623-I631 HydrophobicContact CE1-CD1 4.29Å; F623-I631 HydrophobicContact CE2-CD1 3.48Å; F623-I631 VanDerWaalsContact CE2-CD1 3.48Å; F623-I631 HydrophobicContact CZ-CD1 3.67Å; F623-L644 HydrophobicContact CE2-CD1 3.75Å; F623-L644 HydrophobicContact CE2-CD2 3.5Å; F623-L644 HydrophobicContact CE2-CG 4.24Å; F623-L644 HydrophobicContact CZ-CD1 4.49Å; F623-L644 HydrophobicContact CZ-CD2 3.39Å
624	N	64.5	Low	79.1	Confident	77 Å²	77	47 Å²	47	41%	0.412	24%	0.241	S	C	.	.			trans	-90.9	176.2	157.4	65.5	-5.2	0	0	0	109.3	D626 H627	N624-D626 PolarHBondContact ND2-OD2 2.93Å; N624-D626 PolarHBondContact O-N 3.35Å; N624-D626 PolarHBondContact OD1-N 2.85Å; N624-H627 PolarHBondContact O-N 3.03Å; N624-H627 PolarHBondContact OD1-CD2 3.42Å; N624-H627 VanDerWaalsContact OD1-CD2 3.28Å; N624-H627 PolarHBondContact OD1-N 2.82Å; N624-H627 VanDerWaalsContact OD1-N 3.14Å; N624-H627 PolarHBondContact OD1-ND1 2.91Å
625	D	65.4	Low	80	Confident	141 Å²	141	49.1 Å²	49.1	75%	0.754	25%	0.248	S	C	*	.	H	α-helix	trans	-56.2	-33.4	179.6	-69.4	-32.9	0	0	0	112.7	H627 L628	D625-H627 VanDerWaalsContact C-N 3.3Å; D625-H627 PolarHBondContact O-N 3.14Å; D625-L628 PolarHBondContact O-N 2.93Å
626	D	66.7	Low	80.6	Confident	96 Å²	96	54.9 Å²	54.9	51%	0.513	27%	0.274	S	S	.	.	H	α-helix	trans	-62.8	-35.2	177.3	-58.3	-41.3	0	0	0	112.4	N624 N629 L630	N624-D626 PolarHBondContact ND2-OD2 2.93Å; N624-D626 PolarHBondContact O-N 3.35Å; N624-D626 PolarHBondContact OD1-N 2.85Å; D626-N629 PolarHBondContact O-N 3.49Å; D626-L630 PolarHBondContact O-N 3.36Å; D626-L630 VanDerWaalsContact O-N 3.16Å
627	H	71	Confident	80.9	Confident	38 Å²	38	55.5 Å²	55.5	18%	0.176	28%	0.277	C	S	.	.	H	α-helix	trans	-73.2	-27.8	179.7	-63.5	164.6	0	0	0	113.2	T603 F623 N624 D625 N629 L630 I631	T603-H627 PolarHBondContact OG1-CE1 3.19Å; T603-H627 PolarHBondContact OG1-NE2 2.66Å; F623-H627 HydrophobicContact CB-CB 3.7Å; F623-H627 HydrophobicContact CD1-CB 3.24Å; F623-H627 AromaticContact CD1-CG 3.66Å; F623-H627 AromaticContact CD1-ND1 3.5Å; F623-H627 HydrophobicContact CE1-CB 4.08Å; F623-H627 HydrophobicContact CG-CB 3.72Å; N624-H627 PolarHBondContact O-N 3.03Å; N624-H627 PolarHBondContact OD1-CD2 3.42Å; N624-H627 VanDerWaalsContact OD1-CD2 3.28Å; N624-H627 PolarHBondContact OD1-N 2.82Å; N624-H627 VanDerWaalsContact OD1-N 3.14Å; N624-H627 PolarHBondContact OD1-ND1 2.91Å; D625-H627 VanDerWaalsContact C-N 3.3Å; D625-H627 PolarHBondContact O-N 3.14Å; H627-N629 VanDerWaalsContact C-N 3.31Å; H627-L630 WeakPolarHBondContact O-CB 3.49Å; H627-L630 PolarHBondContact O-N 2.94Å; H627-I631 WeakPolarHBondContact O-CG1 3.37Å; H627-I631 PolarHBondContact O-N 3.31Å
628	L	79.1	Confident	80.9	Confident	100 Å²	100	59.3 Å²	59.3	52%	0.524	30%	0.297	S	S	.	.	H	α-helix	trans	-64.6	-39.9	172.4	-71.6	172.3	0	0	0	111	D625 I631 E632	D625-L628 PolarHBondContact O-N 2.93Å; L628-I631 PolarHBondContact O-N 3Å; L628-E632 PolarHBondContact O-N 3.4Å; L628-E632 VanDerWaalsContact O-N 3.13Å
629	N	82.6	Confident	80.9	Confident	69 Å²	69	59.3 Å²	59.3	37%	0.369	30%	0.297	S	S	.	.	H	α-helix	trans	-63.5	-44.7	174.6	-167.3	-0.6	0	0	0	110.8	P361 D626 H627 I631 E632 Q633	P361-N629 WeakPolarHBondContact CG-ND2 3.38Å; D626-N629 PolarHBondContact O-N 3.49Å; H627-N629 VanDerWaalsContact C-N 3.31Å; N629-I631 VanDerWaalsContact C-N 3.3Å; N629-I631 PolarHBondContact O-N 3.49Å; N629-E632 PolarHBondContact O-N 2.85Å; N629-E632 VanDerWaalsContact O-N 3.16Å; N629-Q633 VanDerWaalsContact O-CG 3.26Å; N629-Q633 WeakPolarHBondContact O-CG 3.45Å; N629-Q633 PolarHBondContact O-N 3.18Å
630	L	82.8	Confident	80.5	Confident	18 Å²	18	64.8 Å²	64.8	9%	0.094	33%	0.326	C	S	.	.	H	α-helix	trans	-55.4	-43.4	175	176.4	61.4	0	0	0	112.5	T365 L368 D626 H627 Q633 L634	T365-L630 WeakPolarHBondContact OG1-CD1 3.42Å; L368-L630 HydrophobicContact CD1-CD1 3.85Å; L368-L630 HydrophobicContact CD1-CD2 3.89Å; L368-L630 HydrophobicContact CD1-CG 4.49Å; D626-L630 PolarHBondContact O-N 3.36Å; D626-L630 VanDerWaalsContact O-N 3.16Å; H627-L630 WeakPolarHBondContact O-CB 3.49Å; H627-L630 PolarHBondContact O-N 2.94Å; L630-Q633 PolarHBondContact O-N 3.38Å; L630-L634 HydrophobicContact CD1-CD1 4.11Å; L630-L634 HydrophobicContact CD1-CG 4.19Å; L630-L634 HydrophobicContact CG-CD1 3.97Å; L630-L634 HydrophobicContact CG-CG 4.49Å; L630-L634 WeakPolarHBondContact O-CB 3.19Å; L630-L634 VanDerWaalsContact O-CG 3.28Å; L630-L634 WeakPolarHBondContact O-CG 3.42Å; L630-L634 PolarHBondContact O-N 3Å
631	I	86.1	Confident	80.6	Confident	20 Å²	20	68.8 Å²	68.8	10%	0.103	35%	0.345	C	S	.	.	H	α-helix	trans	-62.1	-45	177.4	-72	168.5	0	0	0	111.5	L619 F623 H627 L628 N629 Q633 L634 K635 I642	L619-I631 HydrophobicContact CD1-CG1 3.99Å; F623-I631 HydrophobicContact CD2-CD1 3.94Å; F623-I631 HydrophobicContact CE1-CD1 4.29Å; F623-I631 HydrophobicContact CE2-CD1 3.48Å; F623-I631 VanDerWaalsContact CE2-CD1 3.48Å; F623-I631 HydrophobicContact CZ-CD1 3.67Å; H627-I631 WeakPolarHBondContact O-CG1 3.37Å; H627-I631 PolarHBondContact O-N 3.31Å; L628-I631 PolarHBondContact O-N 3Å; N629-I631 VanDerWaalsContact C-N 3.3Å; N629-I631 PolarHBondContact O-N 3.49Å; I631-Q633 VanDerWaalsContact C-N 3.34Å; I631-Q633 PolarHBondContact O-N 3.01Å; I631-L634 PolarHBondContact O-N 3.48Å; I631-K635 HydrophobicContact CG2-CD 4.39Å; I631-K635 WeakPolarHBondContact O-CG 3.43Å; I631-K635 PolarHBondContact O-N 3.35Å; I631-I642 HydrophobicContact CG2-CD1 4.06Å
632	E	88.7	Confident	81.2	Confident	96 Å²	96	65.8 Å²	65.8	45%	0.449	34%	0.335	S	S	.	.	H	α-helix	trans	-64.3	-39.8	178.3	-69.6	-55.3	129.7	0	0	111.8	L628 N629 K635 Q636	L628-E632 PolarHBondContact O-N 3.4Å; L628-E632 VanDerWaalsContact O-N 3.13Å; N629-E632 PolarHBondContact O-N 2.85Å; N629-E632 VanDerWaalsContact O-N 3.16Å; E632-K635 PolarHBondContact O-N 3.28Å; E632-K635 IonicContact OE1-NZ 3.46Å; E632-K635 PolarHBondContact OE1-NZ 2.84Å; E632-Q636 WeakPolarHBondContact O-CG 3.44Å; E632-Q636 PolarHBondContact O-N 2.87Å; E632-Q636 VanDerWaalsContact O-N 3.12Å
633	Q	90	Very high	82.5	Confident	35 Å²	35	65.2 Å²	65.2	16%	0.164	33%	0.326	C	S	.	.	H	α-helix	trans	-64.1	-41.1	173.9	-64.3	-65.8	-37.6	0	0	111.9	T365 N629 L630 I631 K635 Q636 L637	T365-Q633 HydrophobicContact CG2-CB 3.73Å; T365-Q633 WeakPolarHBondContact OG1-CB 3.04Å; N629-Q633 VanDerWaalsContact O-CG 3.26Å; N629-Q633 WeakPolarHBondContact O-CG 3.45Å; N629-Q633 PolarHBondContact O-N 3.18Å; L630-Q633 PolarHBondContact O-N 3.38Å; I631-Q633 VanDerWaalsContact C-N 3.34Å; I631-Q633 PolarHBondContact O-N 3.01Å; Q633-K635 PolarHBondContact O-N 2.68Å; Q633-Q636 WeakPolarHBondContact O-CB 3.4Å; Q633-Q636 PolarHBondContact O-N 3.1Å; Q633-L637 PolarHBondContact O-N 3.34Å
634	L	90.9	Very high	83.8	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-63.6	-40	175.4	-73.4	167.1	0	0	0	111.8	T365 I605 I617 L619 L630 I631 Q636 L637 Y639 I642	T365-L634 HydrophobicContact CG2-CD2 4.02Å; T365-L634 HydrophobicContact CG2-CG 4.25Å; I605-L634 HydrophobicContact CD1-CD1 4.41Å; I617-L634 HydrophobicContact CD1-CD1 3.87Å; I617-L634 HydrophobicContact CD1-CD2 4.38Å; L619-L634 HydrophobicContact CD1-CD1 3.92Å; L619-L634 HydrophobicContact CD2-CD1 4.45Å; L630-L634 HydrophobicContact CD1-CD1 4.11Å; L630-L634 HydrophobicContact CD1-CG 4.19Å; L630-L634 HydrophobicContact CG-CD1 3.97Å; L630-L634 HydrophobicContact CG-CG 4.49Å; L630-L634 WeakPolarHBondContact O-CB 3.19Å; L630-L634 VanDerWaalsContact O-CG 3.28Å; L630-L634 WeakPolarHBondContact O-CG 3.42Å; L630-L634 PolarHBondContact O-N 3Å; I631-L634 PolarHBondContact O-N 3.48Å; L634-Q636 VanDerWaalsContact C-N 3.28Å; L634-Q636 PolarHBondContact O-N 3.21Å; L634-L637 PolarHBondContact O-N 3.01Å; L634-L637 VanDerWaalsContact O-N 3.08Å; L634-Y639 HydrophobicContact CB-CD2 4.11Å; L634-Y639 HydrophobicContact CD2-CD2 3.73Å; L634-Y639 HydrophobicContact CD2-CE2 3.87Å; L634-Y639 WeakPolarHBondContact O-CB 3.34Å; L634-Y639 WeakPolarHBondContact O-CD2 3.39Å; L634-Y639 PolarHBondContact O-N 3.3Å; L634-I642 HydrophobicContact CB-CD1 4.22Å
635	K	90.8	Very high	84.8	Confident	96 Å²	96	64.9 Å²	64.9	42%	0.417	33%	0.325	S	S	.	.	H	α-helix	trans	-60.9	-36.8	174.2	-72.6	173.6	-174	167.8	0	112.1	I631 E632 Q633 L637 N638 I642	I631-K635 HydrophobicContact CG2-CD 4.39Å; I631-K635 WeakPolarHBondContact O-CG 3.43Å; I631-K635 PolarHBondContact O-N 3.35Å; E632-K635 PolarHBondContact O-N 3.28Å; E632-K635 IonicContact OE1-NZ 3.46Å; E632-K635 PolarHBondContact OE1-NZ 2.84Å; Q633-K635 PolarHBondContact O-N 2.68Å; K635-L637 PolarHBondContact O-N 3.45Å; K635-N638 WeakPolarHBondContact O-CA 3.04Å; K635-N638 PolarHBondContact O-N 3Å; K635-I642 HydrophobicContact CG-CD1 4.22Å
636	Q	92.4	Very high	85.7	Confident	129 Å²	129	61.8 Å²	61.8	60%	0.603	31%	0.308	S	S	*	.	H	α-helix	trans	-62.7	-28	175.6	-69.3	176.4	11.9	0	0	112.7	E632 Q633 L634 N638	E632-Q636 WeakPolarHBondContact O-CG 3.44Å; E632-Q636 PolarHBondContact O-N 2.87Å; E632-Q636 VanDerWaalsContact O-N 3.12Å; Q633-Q636 WeakPolarHBondContact O-CB 3.4Å; Q633-Q636 PolarHBondContact O-N 3.1Å; L634-Q636 VanDerWaalsContact C-N 3.28Å; L634-Q636 PolarHBondContact O-N 3.21Å; Q636-N638 PolarHBondContact O-N 3.22Å
637	L	92.4	Very high	86.3	Confident	16 Å²	16	60.4 Å²	60.4	8%	0.084	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	9	172.9	-61.1	-179.9	0	0	0	113.7	T365 H369 D419 D420 V422 Q633 L634 K635 Y639	T365-L637 HydrophobicContact CG2-CD1 3.58Å; T365-L637 HydrophobicContact CG2-CG 4.36Å; H369-L637 HydrophobicContact CB-CD1 3.54Å; D419-L637 WeakPolarHBondContact O-CD2 3.43Å; D420-L637 WeakPolarHBondContact O-CD2 3.37Å; V422-L637 WeakPolarHBondContact CG2-O 3.27Å; V422-L637 PolarHBondContact N-O 2.94Å; Q633-L637 PolarHBondContact O-N 3.34Å; L634-L637 PolarHBondContact O-N 3.01Å; L634-L637 VanDerWaalsContact O-N 3.08Å; K635-L637 PolarHBondContact O-N 3.45Å; L637-Y639 HydrophobicContact CB-CD2 4.1Å; L637-Y639 HydrophobicContact CB-CE2 4.32Å
638	N	90.8	Very high	86.5	Confident	79 Å²	79	62.7 Å²	62.7	42%	0.422	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	24.4	-176.4	-51.6	-57.4	0	0	0	115.5	K635 Q636 N640	K635-N638 WeakPolarHBondContact O-CA 3.04Å; K635-N638 PolarHBondContact O-N 3Å; Q636-N638 PolarHBondContact O-N 3.22Å; N638-N640 PolarHBondContact O-N 2.94Å
639	Y	89.7	Confident	86.6	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.313	C	S	.	.			trans	-73	78.2	163.3	-71.8	-74.6	0	0	0	110.1	H369 V422 S615 I617 L634 L637 H641	H369-Y639 HydrophobicContact CB-CE2 4.4Å; H369-Y639 AromaticContact ND1-CE2 3.53Å; H369-Y639 AromaticContact ND1-CZ 3.84Å; H369-Y639 PolarHBondContact ND1-OH 2.94Å; V422-Y639 HydrophobicContact CG2-CD1 3.92Å; V422-Y639 HydrophobicContact CG2-CD2 3.9Å; V422-Y639 HydrophobicContact CG2-CE1 3.56Å; V422-Y639 HydrophobicContact CG2-CE2 3.59Å; V422-Y639 HydrophobicContact CG2-CG 4.06Å; S615-Y639 WeakPolarHBondContact O-CD1 3.49Å; I617-Y639 HydrophobicContact CB-CD1 4.28Å; I617-Y639 HydrophobicContact CB-CE1 4.5Å; I617-Y639 HydrophobicContact CD1-CD1 3.91Å; I617-Y639 HydrophobicContact CD1-CD2 4.49Å; I617-Y639 HydrophobicContact CD1-CE1 4.47Å; I617-Y639 HydrophobicContact CD1-CG 3.95Å; I617-Y639 HydrophobicContact CG1-CD1 3.86Å; I617-Y639 HydrophobicContact CG1-CE1 4.5Å; I617-Y639 HydrophobicContact CG1-CG 4.29Å; I617-Y639 HydrophobicContact CG2-CD1 3.5Å; I617-Y639 HydrophobicContact CG2-CE1 3.31Å; L634-Y639 HydrophobicContact CB-CD2 4.11Å; L634-Y639 HydrophobicContact CD2-CD2 3.73Å; L634-Y639 HydrophobicContact CD2-CE2 3.87Å; L634-Y639 WeakPolarHBondContact O-CB 3.34Å; L634-Y639 WeakPolarHBondContact O-CD2 3.39Å; L634-Y639 PolarHBondContact O-N 3.3Å; L637-Y639 HydrophobicContact CB-CD2 4.1Å; L637-Y639 HydrophobicContact CB-CE2 4.32Å; Y639-H641 VanDerWaalsContact C-N 3.29Å; Y639-H641 PolarHBondContact O-N 3.24Å
640	N	82.1	Confident	86.7	Confident	118 Å²	118	60 Å²	60	63%	0.631	30%	0.296	S	S	*	.			trans	-74.4	-18.2	-173.7	-65.6	-37.9	0	0	0	114	N638	N638-N640 PolarHBondContact O-N 2.94Å
641	H	87.7	Confident	86.6	Confident	93 Å²	93	61.2 Å²	61.2	43%	0.431	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	102.6	-177.9	-67.2	-56.1	0	0	0	109.4	K613 S616 I617 Y639	K613-H641 HydrophobicContact CB-CB 4.46Å; S616-H641 WeakPolarHBondContact CA-O 3.37Å; S616-H641 WeakPolarHBondContact CB-O 3.36Å; I617-H641 PolarHBondContact N-O 2.76Å; Y639-H641 VanDerWaalsContact C-N 3.29Å; Y639-H641 PolarHBondContact O-N 3.24Å
642	I	89.5	Confident	86.5	Confident	40 Å²	40	60.2 Å²	60.2	21%	0.205	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	110	178.6	-58.9	178.8	0	0	0	107.1	I617 L619 I631 L634 K635 L644	I617-I642 HydrophobicContact CD1-CD1 4.37Å; I617-I642 HydrophobicContact CD1-CG1 4.06Å; I617-I642 HydrophobicContact CG1-CB 4.48Å; I617-I642 HydrophobicContact CG1-CG1 3.93Å; I617-I642 HydrophobicContact CG1-CG2 4.46Å; I617-I642 WeakPolarHBondContact O-CA 3.39Å; L619-I642 HydrophobicContact CB-CG2 4.32Å; L619-I642 HydrophobicContact CD1-CG2 3.5Å; L619-I642 HydrophobicContact CG-CG2 3.94Å; I631-I642 HydrophobicContact CG2-CD1 4.06Å; L634-I642 HydrophobicContact CB-CD1 4.22Å; K635-I642 HydrophobicContact CG-CD1 4.22Å; I642-L644 HydrophobicContact CG2-CD2 4.04Å
643	E	88.7	Confident	86.4	Confident	66 Å²	66	56 Å²	56	31%	0.308	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	142.1	172.5	-178	157.2	173.9	0	0	109.9	I617 T618 L619	I617-E643 PolarHBondContact O-N 3.43Å; T618-E643 CarbonylContact C-O 3.14Å; T618-E643 WeakPolarHBondContact CA-O 3.45Å; T618-E643 HydrophobicContact CG2-CB 4.47Å; T618-E643 HydrophobicContact CG2-CG 4.48Å; L619-E643 PolarHBondContact N-O 2.99Å
644	L	88	Confident	86.3	Confident	82 Å²	82	54.4 Å²	54.4	43%	0.429	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.7	-178.1	-59.5	-176.9	0	0	0	109	L619 F623 I642	L619-L644 HydrophobicContact CB-CD2 4.01Å; L619-L644 WeakPolarHBondContact O-CA 3.42Å; F623-L644 HydrophobicContact CE2-CD1 3.75Å; F623-L644 HydrophobicContact CE2-CD2 3.5Å; F623-L644 HydrophobicContact CE2-CG 4.24Å; F623-L644 HydrophobicContact CZ-CD1 4.49Å; F623-L644 HydrophobicContact CZ-CD2 3.39Å; I642-L644 HydrophobicContact CG2-CD2 4.04Å
645	L	86.4	Confident	86.2	Confident	30 Å²	30	54.4 Å²	54.4	16%	0.157	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	138.7	172.9	-69.7	-177.3	0	0	0	110.4	T618 L619 E620 Y621 Q649 W650	T618-L645 HydrophobicContact CG2-CB 4.19Å; T618-L645 HydrophobicContact CG2-CD1 3.57Å; T618-L645 HydrophobicContact CG2-CG 3.56Å; L619-L645 PolarHBondContact O-N 3.42Å; E620-L645 CarbonylContact C-O 3.42Å; E620-L645 WeakPolarHBondContact CA-O 3.26Å; Y621-L645 PolarHBondContact N-O 3.36Å; L645-Q649 HydrophobicContact CD2-CB 4.43Å; L645-W650 HydrophobicContact CB-CE3 4.2Å; L645-W650 HydrophobicContact CD1-CE3 4.31Å
646	L	83.5	Confident	86.1	Confident	76 Å²	76	50.4 Å²	50.4	40%	0.398	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	148.7	168.6	-66.1	165	0	0	0	109.7	Y621 N648 Q649 W650	Y621-L646 HydrophobicContact CD1-CD2 3.64Å; Y621-L646 HydrophobicContact CE1-CD2 4.21Å; L646-N648 WeakPolarHBondContact CB-OD1 3.49Å; L646-N648 PolarHBondContact O-N 3.44Å; L646-N648 VanDerWaalsContact O-N 3.09Å; L646-Q649 HydrophobicContact CB-CB 4.38Å; L646-Q649 HydrophobicContact CB-CG 4.13Å; L646-Q649 CarbonylContact O-C 3.56Å; L646-Q649 WeakPolarHBondContact O-CA 3.44Å; L646-Q649 WeakPolarHBondContact O-CB 3.36Å; L646-Q649 PolarHBondContact O-N 3.3Å; L646-W650 PolarHBondContact O-N 3.41Å; L646-W650 VanDerWaalsContact O-N 3.09Å
647	I	78.4	Confident	86	Confident	67 Å²	67	44.2 Å²	44.2	34%	0.344	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-39.7	-46.5	170.8	-81.1	172.9	0	0	0	113.1	E620 Y621 P622 Q649 W650 H671	E620-I647 HydrophobicContact CG-CG1 3.96Å; Y621-I647 WeakPolarHBondContact O-CG1 3.41Å; Y621-I647 PolarHBondContact O-N 2.75Å; Y621-I647 VanDerWaalsContact O-N 3.16Å; P622-I647 VanDerWaalsContact CD-CD1 3.48Å; I647-Q649 VanDerWaalsContact C-N 3.29Å; I647-Q649 PolarHBondContact O-N 3.17Å; I647-W650 PolarHBondContact O-N 3.36Å; I647-H671 WeakPolarHBondContact CG1-NE2 3.49Å; I647-H671 HydrophobicContact CG2-CB 4.39Å; I647-H671 WeakPolarHBondContact CG2-CD2 3.36Å
648	N	76.3	Confident	85.8	Confident	86 Å²	86	43.5 Å²	43.5	46%	0.46	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-79.2	-8	-178.1	65.9	-27.3	0	0	0	114.2	L646 F673	L646-N648 WeakPolarHBondContact CB-OD1 3.49Å; L646-N648 PolarHBondContact O-N 3.44Å; L646-N648 VanDerWaalsContact O-N 3.09Å; N648-F673 HydrophobicContact CB-CE1 4.44Å; N648-F673 WeakPolarHBondContact O-CE1 3.26Å; N648-F673 WeakPolarHBondContact O-CZ 3.28Å
649	Q	80.7	Confident	85.6	Confident	110 Å²	110	40.1 Å²	40.1	51%	0.514	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-102.4	-12.3	175.8	-65.6	175.7	-29.9	0	0	112.2	L645 L646 I647	L645-Q649 HydrophobicContact CD2-CB 4.43Å; L646-Q649 HydrophobicContact CB-CB 4.38Å; L646-Q649 HydrophobicContact CB-CG 4.13Å; L646-Q649 CarbonylContact O-C 3.56Å; L646-Q649 WeakPolarHBondContact O-CA 3.44Å; L646-Q649 WeakPolarHBondContact O-CB 3.36Å; L646-Q649 PolarHBondContact O-N 3.3Å; I647-Q649 VanDerWaalsContact C-N 3.29Å; I647-Q649 PolarHBondContact O-N 3.17Å
650	W	84.3	Confident	85.2	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.008	21%	0.208	C	C	.	.			trans	-61.2	131	175.3	-164.6	-90.6	0	0	0	109.3	W529 D533 R604 H606 T618 E620 L645 L646 I647 R653	W529-W650 AromaticContact CD1-NE1 3.84Å; W529-W650 AromaticContact CE2-CZ2 3.87Å; W529-W650 AromaticContact CZ2-CH2 3.97Å; W529-W650 HydrophobicContact CZ2-CH2 3.97Å; W529-W650 AromaticContact CZ2-CZ2 3.95Å; W529-W650 HydrophobicContact CZ2-CZ2 3.95Å; W529-W650 HydrophobicContact CZ2-CZ3 4.37Å; W529-W650 AromaticContact NE1-CE2 3.22Å; W529-W650 AromaticContact NE1-CZ2 3.25Å; W529-W650 VanDerWaalsContact NE1-CZ2 3.25Å; W529-W650 AromaticContact NE1-NE1 3.25Å; D533-W650 PolarHBondContact OD1-NE1 3.18Å; D533-W650 PolarHBondContact OD2-NE1 2.68Å; R604-W650 HydrophobicContact CB-CD2 4.19Å; R604-W650 HydrophobicContact CB-CE3 4.38Å; R604-W650 HydrophobicContact CB-CH2 3.62Å; R604-W650 HydrophobicContact CB-CZ2 3.37Å; R604-W650 HydrophobicContact CB-CZ3 4.1Å; R604-W650 VanDerWaalsContact CD-NE1 3.28Å; R604-W650 HydrophobicContact CG-CZ2 4.33Å; H606-W650 HydrophobicContact CB-CH2 3.92Å; H606-W650 HydrophobicContact CB-CZ2 4.08Å; T618-W650 HydrophobicContact CG2-CH2 4.42Å; T618-W650 HydrophobicContact CG2-CZ3 3.82Å; E620-W650 HydrophobicContact CB-CE3 3.88Å; E620-W650 HydrophobicContact CB-CZ3 4Å; E620-W650 HydrophobicContact CG-CE3 4.4Å; L645-W650 HydrophobicContact CB-CE3 4.2Å; L645-W650 HydrophobicContact CD1-CE3 4.31Å; L646-W650 PolarHBondContact O-N 3.41Å; L646-W650 VanDerWaalsContact O-N 3.09Å; I647-W650 PolarHBondContact O-N 3.36Å; W650-R653 PolarHBondContact O-NH1 2.9Å; W650-R653 PolarHBondContact O-NH2 3.3Å; W650-R653 VanDerWaalsContact O-NH2 3.15Å
651	P	80.8	Confident	85.1	Confident	44 Å²	44	35.9 Å²	35.9	29%	0.286	19%	0.185	S	C	.	.			trans	-81.6	-47.6	-175.4	27.3	-30.8	0	0	0	112.5	D526 W529 R653	D526-P651 HydrophobicContact CB-CB 4.47Å; D526-P651 WeakPolarHBondContact OD2-CB 3.32Å; D526-P651 VanDerWaalsContact OD2-O 3.11Å; W529-P651 HydrophobicContact CD2-CG 3.82Å; W529-P651 HydrophobicContact CG-CG 3.92Å; W529-P651 HydrophobicContact CZ2-CG 4.15Å; P651-R653 PolarHBondContact O-NH1 3.24Å
652	G	84.4	Confident	84.6	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.			trans	-65.1	142.9	-174.2	0	0	0	0	0	114.1	D533 R604	D533-G652 WeakPolarHBondContact OD2-CA 3.45Å; R604-G652 PolarHBondContact NH1-O 3.29Å
653	R	86.3	Confident	84.2	Confident	7 Å²	7	43.1 Å²	43.1	3%	0.026	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	148.8	171.2	-61.3	-66.9	176.5	-80.8	2.4	109.1	S524 I525 W650 P651 F655 D669 H671	S524-R653 CarbonylContact C-O 3.59Å; S524-R653 WeakPolarHBondContact CA-O 3.32Å; S524-R653 WeakPolarHBondContact CB-O 3.49Å; I525-R653 HydrophobicContact CB-CB 4.14Å; I525-R653 HydrophobicContact CD1-CB 4.12Å; I525-R653 HydrophobicContact CD1-CG 4.49Å; I525-R653 HydrophobicContact CG1-CB 4.18Å; I525-R653 PolarHBondContact N-O 2.78Å; W650-R653 PolarHBondContact O-NH1 2.9Å; W650-R653 PolarHBondContact O-NH2 3.3Å; W650-R653 VanDerWaalsContact O-NH2 3.15Å; P651-R653 PolarHBondContact O-NH1 3.24Å; R653-F655 HydrophobicContact CB-CE1 4.27Å; R653-F655 HydrophobicContact CB-CE2 4.45Å; R653-F655 HydrophobicContact CB-CZ 3.84Å; R653-D669 WeakPolarHBondContact CD-OD2 3.44Å; R653-H671 VanDerWaalsContact CZ-O 3.28Å; R653-H671 VanDerWaalsContact NE-C 3.3Å; R653-H671 PolarHBondContact NE-O 3.22Å; R653-H671 PolarHBondContact NH2-O 3.2Å; R653-H671 VanDerWaalsContact NH2-O 3.12Å
654	V	89	Confident	83.9	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	132.3	177.6	-175.3	0	0	0	0	110.3	I522 V523 D533 A534 V537 D669	I522-V654 HydrophobicContact CG2-CG1 3.88Å; V523-V654 WeakPolarHBondContact O-CA 3.38Å; D533-V654 HydrophobicContact CB-CG2 3.53Å; A534-V654 HydrophobicContact CB-CG1 4.19Å; A534-V654 HydrophobicContact CB-CG2 4.19Å; V537-V654 HydrophobicContact CB-CG1 4.37Å; V537-V654 HydrophobicContact CG1-CG1 4.47Å; V537-V654 HydrophobicContact CG2-CB 4.25Å; V537-V654 HydrophobicContact CG2-CG1 4.1Å; V537-V654 HydrophobicContact CG2-CG2 4.33Å; V654-D669 PolarHBondContact O-N 3.4Å; V654-D669 VanDerWaalsContact O-N 3.1Å
655	F	88	Confident	83.6	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	141.9	173.9	-44.9	-55.2	0	0	0	110.8	A95 D97 I522 V523 I525 R653 D669 T677	A95-F655 HydrophobicContact CB-CB 3.84Å; A95-F655 HydrophobicContact CB-CG 4.45Å; D97-F655 HydrophobicContact CB-CE2 4.21Å; D97-F655 HydrophobicContact CB-CZ 4.01Å; I522-F655 WeakPolarHBondContact CA-O 3.21Å; V523-F655 HydrophobicContact CG2-CB 3.89Å; V523-F655 HydrophobicContact CG2-CD2 3.84Å; V523-F655 HydrophobicContact CG2-CG 4.35Å; V523-F655 PolarHBondContact N-O 3.11Å; V523-F655 PolarHBondContact O-N 3.39Å; I525-F655 HydrophobicContact CD1-CE2 3.74Å; I525-F655 HydrophobicContact CD1-CZ 4.13Å; I525-F655 HydrophobicContact CG1-CE2 4.25Å; R653-F655 HydrophobicContact CB-CE1 4.27Å; R653-F655 HydrophobicContact CB-CE2 4.45Å; R653-F655 HydrophobicContact CB-CZ 3.84Å; F655-D669 HydrophobicContact CE1-CB 4.26Å; F655-T677 HydrophobicContact CD1-CG2 3.52Å; F655-T677 HydrophobicContact CE1-CG2 3.2Å; F655-T677 HydrophobicContact CE2-CG2 4.29Å; F655-T677 HydrophobicContact CG-CG2 4.24Å; F655-T677 HydrophobicContact CZ-CG2 3.63Å
656	L	89.1	Confident	83.5	Confident	12 Å²	12	39.2 Å²	39.2	6%	0.063	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	127.9	-179.8	-179	157.3	0	0	0	109.9	L509 A520 G521 I522 I665 S666 T667	L509-L656 HydrophobicContact CD2-CD1 4.5Å; A520-L656 HydrophobicContact CB-CD1 4.12Å; A520-L656 HydrophobicContact CB-CD2 3.71Å; A520-L656 HydrophobicContact CB-CG 3.75Å; G521-L656 WeakPolarHBondContact O-CA 3.32Å; I522-L656 HydrophobicContact CD1-CD1 3.86Å; I522-L656 HydrophobicContact CG1-CB 4.27Å; I522-L656 HydrophobicContact CG1-CD1 3.8Å; I522-L656 HydrophobicContact CG1-CG 3.98Å; L656-I665 HydrophobicContact CD2-CD1 4.14Å; L656-I665 HydrophobicContact CD2-CG1 4.25Å; L656-S666 CarbonylContact O-C 3.53Å; L656-S666 VanDerWaalsContact O-CA 3.3Å; L656-S666 WeakPolarHBondContact O-CA 3.44Å; L656-T667 HydrophobicContact CB-CG2 3.85Å; L656-T667 HydrophobicContact CD2-CG2 4.32Å; L656-T667 HydrophobicContact CG-CG2 4.5Å; L656-T667 PolarHBondContact N-O 2.99Å; L656-T667 PolarHBondContact O-N 2.96Å
657	I	89.9	Confident	83.3	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	141.2	167.9	-72.2	177	0	0	0	109.3	A93 A95 V447 T449 A520 G521 I665	A93-I657 HydrophobicContact CB-CD1 3.75Å; A93-I657 HydrophobicContact CB-CG1 4.4Å; A93-I657 HydrophobicContact CB-CG2 3.93Å; A95-I657 HydrophobicContact CB-CD1 3.34Å; A95-I657 HydrophobicContact CB-CG1 3.84Å; V447-I657 HydrophobicContact CB-CB 4.13Å; V447-I657 HydrophobicContact CB-CD1 4.44Å; V447-I657 HydrophobicContact CG1-CB 3.74Å; V447-I657 HydrophobicContact CG1-CG2 4.41Å; T449-I657 HydrophobicContact CG2-CG2 3.33Å; A520-I657 CarbonylContact C-O 3.58Å; A520-I657 WeakPolarHBondContact CA-O 3.22Å; A520-I657 WeakPolarHBondContact CB-O 3.48Å; G521-I657 PolarHBondContact N-O 3.11Å; G521-I657 PolarHBondContact O-N 2.79Å; G521-I657 VanDerWaalsContact O-N 3.1Å; I657-I665 CarbonylContact C-O 3.54Å; I657-I665 WeakPolarHBondContact CA-O 3.5Å
658	G	89.2	Confident	83.3	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.7	-150.2	177.5	0	0	0	0	0	113.8	R519 M664 I665	R519-G658 CarbonylContact O-C 3.59Å; R519-G658 WeakPolarHBondContact O-CA 3.29Å; G658-M664 CarbonylContact O-C 3.59Å; G658-M664 WeakPolarHBondContact O-CA 3.36Å; G658-M664 VanDerWaalsContact O-CG 3.32Å; G658-M664 WeakPolarHBondContact O-CG 3.36Å; G658-I665 PolarHBondContact N-O 3.36Å; G658-I665 PolarHBondContact O-N 3.47Å
659	W	86.6	Confident	83.2	Confident	8 Å²	8	28.7 Å²	28.7	3%	0.03	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	132.4	-170.4	-61.5	86.5	0	0	0	110.3	Q91 T449 D450 I518 R519 H663 M664	Q91-W659 HydrophobicContact CB-CH2 4.05Å; T449-W659 HydrophobicContact CG2-CZ2 4.01Å; T449-W659 PolarHBondContact OG1-NE1 2.87Å; D450-W659 WeakPolarHBondContact O-CZ2 3.44Å; I518-W659 CarbonylContact C-O 3.56Å; I518-W659 WeakPolarHBondContact CA-O 3.33Å; R519-W659 PolarHBondContact N-O 2.91Å; R519-W659 PolarHBondContact O-N 3.13Å; W659-H663 CarbonylContact C-O 3.55Å; W659-H663 WeakPolarHBondContact CA-O 3.44Å; W659-M664 HydrophobicContact CE3-CB 4.33Å; W659-M664 HydrophobicContact CH2-CB 4.34Å; W659-M664 HydrophobicContact CH2-CE 3.61Å; W659-M664 HydrophobicContact CZ2-CE 3.57Å; W659-M664 HydrophobicContact CZ3-CB 4.16Å; W659-M664 HydrophobicContact CZ3-CE 4.48Å
660	N	80.6	Confident	82.5	Confident	15 Å²	15	29.1 Å²	29.1	8%	0.08	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	93.7	163.2	-172.9	-3	0	0	0	108.6	I518 Y662 H663 I665	I518-N660 HydrophobicContact CG1-CB 4.02Å; N660-Y662 PolarHBondContact O-N 2.9Å; N660-Y662 VanDerWaalsContact O-N 3.17Å; N660-H663 PolarHBondContact N-O 3.01Å; N660-H663 PolarHBondContact O-N 3.13Å; N660-I665 HydrophobicContact CB-CG2 3.91Å
661	G	79.1	Confident	81.5	Confident	14 Å²	14	30 Å²	30	14%	0.144	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	-111.7	-168.7	0	0	0	0	0	111.4	C516 G517	C516-G661 WeakPolarHBondContact O-CA 3.31Å; C516-G661 PolarHBondContact O-N 3.26Å; G517-G661 PolarHBondContact O-N 2.78Å
662	Y	77.6	Confident	80.4	Confident	180 Å²	180	28.3 Å²	28.3	71%	0.706	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-0.8	178.9	-57.8	-76.4	0	0	0	113.3	N660	N660-Y662 PolarHBondContact O-N 2.9Å; N660-Y662 VanDerWaalsContact O-N 3.17Å
663	H	80.7	Confident	79	Confident	106 Å²	106	30.6 Å²	30.6	49%	0.491	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	129	177.4	-59.3	-76.9	0	0	0	108.9	K590 W659 N660	K590-H663 PolarHBondContact NZ-NE2 2.94Å; W659-H663 CarbonylContact C-O 3.55Å; W659-H663 WeakPolarHBondContact CA-O 3.44Å; N660-H663 PolarHBondContact N-O 3.01Å; N660-H663 PolarHBondContact O-N 3.13Å
664	M	83.9	Confident	77.7	Confident	38 Å²	38	31 Å²	31	19%	0.187	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	141	169.9	-164.7	-177.6	-71.3	0	0	110.2	Q91 A93 T449 G658 W659 T680	Q91-M664 HydrophobicContact CB-CE 3.64Å; A93-M664 HydrophobicContact CB-CE 4.23Å; A93-M664 HydrophobicContact CB-SD 3.32Å; A93-M664 WeakPolarHBondContact CB-SD 3.46Å; T449-M664 HydrophobicContact CG2-CE 4.18Å; T449-M664 HydrophobicContact CG2-SD 4.48Å; G658-M664 CarbonylContact O-C 3.59Å; G658-M664 WeakPolarHBondContact O-CA 3.36Å; G658-M664 VanDerWaalsContact O-CG 3.32Å; G658-M664 WeakPolarHBondContact O-CG 3.36Å; W659-M664 HydrophobicContact CE3-CB 4.33Å; W659-M664 HydrophobicContact CH2-CB 4.34Å; W659-M664 HydrophobicContact CH2-CE 3.61Å; W659-M664 HydrophobicContact CZ2-CE 3.57Å; W659-M664 HydrophobicContact CZ3-CB 4.16Å; W659-M664 HydrophobicContact CZ3-CE 4.48Å; M664-T680 HydrophobicContact SD-CG2 4.33Å
665	I	81.9	Confident	76	Confident	25 Å²	25	36.6 Å²	36.6	13%	0.128	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133.6	169.6	56.5	171.6	0	0	0	108	I518 P595 L656 I657 G658 N660	I518-I665 HydrophobicContact CG2-CD1 4.03Å; P595-I665 HydrophobicContact CG-CB 4.11Å; P595-I665 HydrophobicContact CG-CD1 4.36Å; P595-I665 HydrophobicContact CG-CG2 4.37Å; L656-I665 HydrophobicContact CD2-CD1 4.14Å; L656-I665 HydrophobicContact CD2-CG1 4.25Å; I657-I665 CarbonylContact C-O 3.54Å; I657-I665 WeakPolarHBondContact CA-O 3.5Å; G658-I665 PolarHBondContact N-O 3.36Å; G658-I665 PolarHBondContact O-N 3.47Å; N660-I665 HydrophobicContact CB-CG2 3.91Å
666	S	83.1	Confident	74.9	Confident	32 Å²	32	42.4 Å²	42.4	22%	0.224	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	134.3	175	59.5	0	0	0	0	108.3	L656 T680	L656-S666 CarbonylContact O-C 3.53Å; L656-S666 VanDerWaalsContact O-CA 3.3Å; L656-S666 WeakPolarHBondContact O-CA 3.44Å; S666-T680 WeakPolarHBondContact OG-CG2 3.37Å
667	T	79.8	Confident	74	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	152.3	170.6	-167.2	0	0	0	0	108.8	P595 N596 T599 L656	P595-T667 HydrophobicContact CB-CG2 3.39Å; N596-T667 PolarHBondContact OD1-OG1 3.22Å; T599-T667 HydrophobicContact CG2-CG2 3.49Å; T599-T667 VanDerWaalsContact CG2-CG2 3.49Å; T599-T667 PolarHBondContact OG1-OG1 3.36Å; L656-T667 HydrophobicContact CB-CG2 3.85Å; L656-T667 HydrophobicContact CD2-CG2 4.32Å; L656-T667 HydrophobicContact CG-CG2 4.5Å; L656-T667 PolarHBondContact N-O 2.99Å; L656-T667 PolarHBondContact O-N 2.96Å
668	G	79.1	Confident	73.4	Confident	5 Å²	5	45 Å²	45	5%	0.052	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	150.3	-174.5	0	0	0	0	0	106.1	N600 N670	N600-G668 PolarHBondContact OD1-O 2.95Å; G668-N670 PolarHBondContact O-N 3.36Å
669	D	73.7	Confident	73.1	Confident	3 Å²	3	45.7 Å²	45.7	2%	0.016	23%	0.234	C	C	.	.			trans	-56	117	177.6	-165.8	-6.4	0	0	0	111.9	R604 R653 V654 F655 H671 S672	R604-D669 IonicContact CZ-OD1 3.55Å; R604-D669 IonicContact CZ-OD2 2.84Å; R604-D669 IonicContact NH1-OD2 3.9Å; R604-D669 PolarHBondContact NH1-OD2 3.47Å; R604-D669 IonicContact NH2-OD1 2.72Å; R604-D669 PolarHBondContact NH2-OD1 3Å; R604-D669 IonicContact NH2-OD2 3.67Å; R604-D669 PolarHBondContact NH2-OD2 2.84Å; R653-D669 WeakPolarHBondContact CD-OD2 3.44Å; V654-D669 PolarHBondContact O-N 3.4Å; V654-D669 VanDerWaalsContact O-N 3.1Å; F655-D669 HydrophobicContact CE1-CB 4.26Å; D669-H671 PolarHBondContact O-N 2.96Å; D669-H671 VanDerWaalsContact O-N 3.14Å; D669-H671 WeakPolarHBondContact OD1-CA 2.98Å; D669-H671 WeakPolarHBondContact OD1-CB 3.48Å; D669-H671 IonicContact OD1-CE1 3.84Å; D669-H671 IonicContact OD1-CG 3.54Å; D669-H671 PolarHBondContact OD1-N 2.9Å; D669-H671 IonicContact OD1-ND1 3.52Å; D669-H671 PolarHBondContact OD1-ND1 3.4Å; D669-S672 WeakPolarHBondContact O-CB 3.41Å; D669-S672 PolarHBondContact O-N 3.36Å
670	N	66.5	Low	73	Confident	119 Å²	119	48.8 Å²	48.8	64%	0.636	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.3	170.3	-79.4	-1.8	0	0	0	112.7	N600 G668 S672	N600-N670 PolarHBondContact ND2-ND2 3.48Å; N600-N670 VanDerWaalsContact ND2-ND2 3.16Å; N600-N670 PolarHBondContact ND2-OD1 3.06Å; N600-N670 WeakPolarHBondContact OD1-CB 3.44Å; N600-N670 PolarHBondContact OD1-N 3.32Å; N600-N670 PolarHBondContact OD1-ND2 3.14Å; N600-N670 PolarHBondContact OD1-OD1 3.34Å; G668-N670 PolarHBondContact O-N 3.36Å; N670-S672 PolarHBondContact O-N 3.15Å
671	H	61.6	Low	73.2	Confident	20 Å²	20	51.2 Å²	51.2	9%	0.093	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-5.9	175.4	-47.2	65.9	0	0	0	110.8	E620 I647 R653 D669 F673	E620-H671 IonicContact OE1-CD2 2.79Å; E620-H671 PolarHBondContact OE1-CD2 2.95Å; E620-H671 IonicContact OE1-NE2 3.36Å; E620-H671 PolarHBondContact OE1-NE2 3.19Å; I647-H671 WeakPolarHBondContact CG1-NE2 3.49Å; I647-H671 HydrophobicContact CG2-CB 4.39Å; I647-H671 WeakPolarHBondContact CG2-CD2 3.36Å; R653-H671 VanDerWaalsContact CZ-O 3.28Å; R653-H671 VanDerWaalsContact NE-C 3.3Å; R653-H671 PolarHBondContact NE-O 3.22Å; R653-H671 PolarHBondContact NH2-O 3.2Å; R653-H671 VanDerWaalsContact NH2-O 3.12Å; D669-H671 PolarHBondContact O-N 2.96Å; D669-H671 VanDerWaalsContact O-N 3.14Å; D669-H671 WeakPolarHBondContact OD1-CA 2.98Å; D669-H671 WeakPolarHBondContact OD1-CB 3.48Å; D669-H671 IonicContact OD1-CE1 3.84Å; D669-H671 IonicContact OD1-CG 3.54Å; D669-H671 PolarHBondContact OD1-N 2.9Å; D669-H671 IonicContact OD1-ND1 3.52Å; D669-H671 PolarHBondContact OD1-ND1 3.4Å; H671-F673 PolarHBondContact O-N 3.44Å
672	S	58.4	Low	72.9	Confident	9 Å²	9	53.1 Å²	53.1	6%	0.063	27%	0.27	C	S	.	.	S	Bend	trans	-54	128	165.6	-173.5	0	0	0	0	109.1	D97 D669 N670 N674 T677	D97-S672 PolarHBondContact OD1-OG 3.19Å; D97-S672 VanDerWaalsContact OD1-OG 3.13Å; D669-S672 WeakPolarHBondContact O-CB 3.41Å; D669-S672 PolarHBondContact O-N 3.36Å; N670-S672 PolarHBondContact O-N 3.15Å; S672-N674 PolarHBondContact O-N 3Å; S672-N674 VanDerWaalsContact O-N 3.1Å; S672-T677 WeakPolarHBondContact CB-OG1 3.4Å; S672-T677 PolarHBondContact OG-OG1 3.29Å
673	F	55.7	Low	72.6	Confident	47 Å²	47	46.4 Å²	46.4	21%	0.206	25%	0.247	C	C	.	.	S	Bend	trans	-66.5	-15.8	-175.8	-64.7	-74.2	0	0	0	112.2	K221 E225 N648 H671	K221-F673 HydrophobicContact CB-CB 3.87Å; K221-F673 HydrophobicContact CD-CB 4.01Å; K221-F673 HydrophobicContact CD-CD1 3.97Å; K221-F673 HydrophobicContact CD-CG 4.4Å; K221-F673 HydrophobicContact CG-CB 3.97Å; K221-F673 HydrophobicContact CG-CD1 4.27Å; K221-F673 HydrophobicContact CG-CG 4.37Å; E225-F673 WeakPolarHBondContact OE1-CE1 3.31Å; E225-F673 WeakPolarHBondContact OE2-CE1 3.46Å; E225-F673 WeakPolarHBondContact OE2-CE2 3.39Å; E225-F673 WeakPolarHBondContact OE2-CZ 3.37Å; N648-F673 HydrophobicContact CB-CE1 4.44Å; N648-F673 WeakPolarHBondContact O-CE1 3.26Å; N648-F673 WeakPolarHBondContact O-CZ 3.28Å; H671-F673 PolarHBondContact O-N 3.44Å
674	N	59	Low	72.2	Confident	17 Å²	17	43.1 Å²	43.1	9%	0.091	23%	0.234	C	C	.	.	S	Bend	trans	-99.1	122.9	174.1	-69.3	-47.5	0	0	0	112	D97 D99 S672 K676 T677	D97-N674 PolarHBondContact O-ND2 2.66Å; D97-N674 PolarHBondContact OD1-ND2 3.33Å; D99-N674 WeakPolarHBondContact OD1-CB 2.99Å; S672-N674 PolarHBondContact O-N 3Å; S672-N674 VanDerWaalsContact O-N 3.1Å; N674-K676 PolarHBondContact O-N 3.3Å; N674-T677 PolarHBondContact O-OG1 3.36Å
675	S	52	Low	71.5	Confident	117 Å²	117	43.4 Å²	43.4	82%	0.818	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-14.7	-177	69.1	0	0	0	0	115
676	K	65	Low	70.8	Confident	122 Å²	122	44.6 Å²	44.6	53%	0.53	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.2	67.1	178.9	-67.9	-178.1	179.7	175.3	0	111.6	N674 L678 Y679	N674-K676 PolarHBondContact O-N 3.3Å; K676-L678 VanDerWaalsContact C-N 3.27Å; K676-L678 PolarHBondContact O-N 2.87Å; K676-Y679 HydrophobicContact CB-CE1 4.35Å; K676-Y679 WeakPolarHBondContact CB-OH 3.42Å; K676-Y679 WeakPolarHBondContact O-CE2 3.36Å; K676-Y679 PolarHBondContact O-OH 2.97Å
677	T	70.1	Confident	70	Confident	10 Å²	10	45.4 Å²	45.4	6%	0.061	24%	0.244	C	C	.	.			trans	-78.8	-11.8	177	-57.2	0	0	0	0	113.8	A95 V96 F655 S672 N674	A95-T677 WeakPolarHBondContact CA-O 3.42Å; V96-T677 PolarHBondContact N-O 2.97Å; V96-T677 WeakPolarHBondContact O-CG2 3.21Å; F655-T677 HydrophobicContact CD1-CG2 3.52Å; F655-T677 HydrophobicContact CE1-CG2 3.2Å; F655-T677 HydrophobicContact CE2-CG2 4.29Å; F655-T677 HydrophobicContact CG-CG2 4.24Å; F655-T677 HydrophobicContact CZ-CG2 3.63Å; S672-T677 WeakPolarHBondContact CB-OG1 3.4Å; S672-T677 PolarHBondContact OG-OG1 3.29Å; N674-T677 PolarHBondContact O-OG1 3.36Å
678	L	78.4	Confident	69.3	Low	56 Å²	56	48.6 Å²	48.6	29%	0.293	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.7	-177.6	-58.9	172.5	0	0	0	110.9	A95 K676	A95-L678 HydrophobicContact CB-CD2 3.72Å; K676-L678 VanDerWaalsContact C-N 3.27Å; K676-L678 PolarHBondContact O-N 2.87Å
679	Y	83.5	Confident	68.6	Low	16 Å²	16	51.9 Å²	51.9	6%	0.063	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122.1	178.9	-64.2	-86.9	0	0	0	108.7	A93 V94 D99 G102 Q103 K676	A93-Y679 CarbonylContact C-O 3.58Å; A93-Y679 WeakPolarHBondContact CA-O 3.46Å; A93-Y679 VanDerWaalsContact CB-O 3.29Å; A93-Y679 WeakPolarHBondContact CB-O 3.35Å; V94-Y679 PolarHBondContact N-O 3.35Å; V94-Y679 PolarHBondContact O-N 3.27Å; D99-Y679 WeakPolarHBondContact CA-OH 3.14Å; D99-Y679 WeakPolarHBondContact CB-OH 3.25Å; D99-Y679 PolarHBondContact O-OH 2.75Å; D99-Y679 PolarHBondContact OD1-OH 3.28Å; G102-Y679 VanDerWaalsContact CA-CD2 3.49Å; G102-Y679 VanDerWaalsContact CA-CE2 3.5Å; Q103-Y679 HydrophobicContact CG-CD1 4.04Å; Q103-Y679 HydrophobicContact CG-CE1 3.48Å; Q103-Y679 VanDerWaalsContact CG-CE1 3.48Å; K676-Y679 HydrophobicContact CB-CE1 4.35Å; K676-Y679 WeakPolarHBondContact CB-OH 3.42Å; K676-Y679 WeakPolarHBondContact O-CE2 3.36Å; K676-Y679 PolarHBondContact O-OH 2.97Å
680	T	83	Confident	68.1	Low	72 Å²	72	56 Å²	56	44%	0.442	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	154.1	-179.2	58.1	0	0	0	0	109.8	G92 A93 M664 S666	G92-T680 WeakPolarHBondContact O-CA 3.15Å; A93-T680 HydrophobicContact CB-CG2 3.83Å; M664-T680 HydrophobicContact SD-CG2 4.33Å; S666-T680 WeakPolarHBondContact OG-CG2 3.37Å
681	F	84.4	Confident	68.3	Low	67 Å²	67	50.3 Å²	50.3	29%	0.294	27%	0.269	S	S	.	.			trans	-146.3	0	172.8	74.5	-89.9	0	0	0	113.5	P90 Q91 G92 L106 M109 R110	P90-F681 HydrophobicContact CB-CE2 4.14Å; P90-F681 WeakPolarHBondContact O-CD2 3.19Å; P90-F681 WeakPolarHBondContact O-CE2 3.46Å; Q91-F681 VanDerWaalsContact CA-O 3.28Å; Q91-F681 WeakPolarHBondContact CA-O 3.48Å; G92-F681 VanDerWaalsContact CA-CE1 3.41Å; G92-F681 PolarHBondContact N-O 3.37Å; G92-F681 VanDerWaalsContact O-CD1 3.29Å; G92-F681 WeakPolarHBondContact O-CD1 3.2Å; G92-F681 PolarHBondContact O-N 2.63Å; G92-F681 VanDerWaalsContact O-N 3.09Å; L106-F681 HydrophobicContact CD1-CD1 3.45Å; L106-F681 VanDerWaalsContact CD1-CD1 3.45Å; L106-F681 HydrophobicContact CD1-CE1 4.07Å; L106-F681 HydrophobicContact CD1-CG 4.46Å; L106-F681 HydrophobicContact CG-CD1 3.98Å; M109-F681 HydrophobicContact CB-CE1 3.78Å; M109-F681 HydrophobicContact CB-CZ 3.87Å; M109-F681 HydrophobicContact CE-CE1 4.49Å; R110-F681 HydrophobicContact CB-CD1 4.33Å; R110-F681 HydrophobicContact CB-CD2 4.29Å; R110-F681 HydrophobicContact CB-CE1 4.08Å; R110-F681 HydrophobicContact CB-CE2 4.06Å; R110-F681 HydrophobicContact CB-CG 4.4Å; R110-F681 HydrophobicContact CB-CZ 3.93Å; R110-F681 HydrophobicContact CG-CD2 4.07Å; R110-F681 HydrophobicContact CG-CE2 4.15Å; R110-F681 HydrophobicContact CG-CG 4.39Å; R110-F681 VanDerWaalsContact NE-CB 3.29Å

Retrieved 681 of 681 residues in 1126.1 ms (Link to these results)

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