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Lipoyl synthase, mitochondrial

Catalyzes the radical-mediated insertion of two sulfur atoms into the C-6 and C-8 positions of the octanoyl moiety bound to the lipoyl domains of lipoate-dependent enzymes, thereby converting the octanoylated domains into lipoylated derivatives.

AlphaFold DB , UniProt , Accession C4PZQ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 410 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.4	Very low	36.2	Very low	254 Å²	254	150.9 Å²	150.9	100%	1.251	83%	0.828	S	S	*	*				0	121.4	0	-86.8	178.4	162.7	0	0	108.3
2	G	39.4	Very low	35.9	Very low	63 Å²	63	153 Å²	153	65%	0.649	82%	0.824	S	S	*	*			trans	73.3	95.8	170.3	0	0	0	0	0	116.2
3	L	36.7	Very low	35.4	Very low	161 Å²	161	148.6 Å²	148.6	84%	0.843	81%	0.808	S	S	*	*				56	131.9	77.5	-72.5	108.5	0	0	0	112.5
4	L	38.3	Very low	34.9	Very low	157 Å²	157	148.4 Å²	148.4	82%	0.822	81%	0.813	S	S	*	*			cis	-167.6	147.8	16.7	-105.1	151.2	0	0	0	108.8
5	L	33.3	Very low	34.4	Very low	157 Å²	157	149.1 Å²	149.1	82%	0.822	82%	0.815	S	S	*	*			trans	-89.8	-169.9	167.8	-82.1	168.9	0	0	0	110.4
6	P	44.4	Very low	33.9	Very low	100 Å²	100	145.6 Å²	145.6	65%	0.649	81%	0.811	S	S	*	*				-136	-159.4	-80.7	40.8	-19.2	0	0	0	112
7	R	34.4	Very low	33.7	Very low	241 Å²	241	144.1 Å²	144.1	91%	0.909	81%	0.813	S	S	*	*			trans	101.9	117.4	162.3	-59.8	-175.1	170.2	175.7	-3.1	117
8	G	37.2	Very low	33.5	Very low	77 Å²	77	144 Å²	144	79%	0.794	82%	0.816	S	S	*	*			trans	-160.4	94.5	164.1	0	0	0	0	0	109.1
9	S	32.4	Very low	33.3	Very low	104 Å²	104	140.5 Å²	140.5	73%	0.727	80%	0.801	S	S	*	*			trans	-73.6	131.9	-177	-41.6	0	0	0	0	111.5
10	Y	32.9	Very low	33.1	Very low	212 Å²	212	137.6 Å²	137.6	83%	0.831	80%	0.796	S	S	*	*			trans	-132.8	100.6	154.2	-87.8	-82.1	0	0	0	109.4	F12	Y10-F12 HydrophobicContact CD1-CD2 4.29Å; Y10-F12 HydrophobicContact CD1-CE2 4.17Å; Y10-F12 HydrophobicContact CE1-CE2 4.48Å
11	V	29	Very low	33	Very low	134 Å²	134	135.6 Å²	135.6	81%	0.812	80%	0.796	S	S	*	*			trans	-92.6	120.7	163.3	178	0	0	0	0	105.6
12	F	32.3	Very low	32.5	Very low	176 Å²	176	128 Å²	128	77%	0.772	76%	0.763	S	S	*	*			trans	-124.4	142	161.9	-101.6	-88.8	0	0	0	109.1	Y10	Y10-F12 HydrophobicContact CD1-CD2 4.29Å; Y10-F12 HydrophobicContact CD1-CE2 4.17Å; Y10-F12 HydrophobicContact CE1-CE2 4.48Å
13	P	29.7	Very low	32	Very low	96 Å²	96	132.8 Å²	132.8	62%	0.623	77%	0.766	S	S	*	*			trans	-90.8	141.3	-147.1	33.9	-31.2	0	0	0	113.3	L15	P13-L15 PolarHBondContact O-N 2.82Å
14	V	28.1	Very low	31.8	Very low	145 Å²	145	133.9 Å²	133.9	88%	0.879	76%	0.759	S	S	*	*			trans	-63.9	110	150.8	173.6	0	0	0	0	106.9
15	L	27.1	Very low	31.5	Very low	160 Å²	160	136.8 Å²	136.8	84%	0.838	76%	0.759	S	S	*	*			trans	-172.7	132.9	159.3	-101.7	159.1	0	0	0	111.8	P13	P13-L15 PolarHBondContact O-N 2.82Å
16	A	27.3	Very low	31.4	Very low	92 Å²	92	133.3 Å²	133.3	76%	0.76	75%	0.753	S	S	*	*			trans	73.5	85.9	152.5	0	0	0	0	0	120.2
17	S	30.4	Very low	30.8	Very low	120 Å²	120	135.9 Å²	135.9	84%	0.839	76%	0.757	S	S	*	*			trans	-143.6	37.7	139.8	69.3	0	0	0	0	113.3	S19	S17-S19 VanDerWaalsContact C-N 3.31Å; S17-S19 PolarHBondContact O-N 2.89Å
18	V	29.6	Very low	30.5	Very low	143 Å²	143	131.9 Å²	131.9	87%	0.867	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	73.1	161.9	-175	0	0	0	0	108
19	S	29.1	Very low	30.1	Very low	77 Å²	77	132.7 Å²	132.7	54%	0.538	74%	0.735	S	S	.	*	T	Hydrogen-bonded Turn	trans	-164.1	-2.1	172.8	-147.9	0	0	0	0	118.3	S17	S17-S19 VanDerWaalsContact C-N 3.31Å; S17-S19 PolarHBondContact O-N 2.89Å
20	A	30.5	Very low	29.9	Very low	83 Å²	83	138.2 Å²	138.2	69%	0.686	74%	0.742	S	S	*	*	S	Bend	trans	-97.6	-24.1	-179.6	0	0	0	0	0	114.4
21	A	31.1	Very low	29.6	Very low	96 Å²	96	135.1 Å²	135.1	79%	0.793	74%	0.738	S	S	*	*	S	Bend	trans	-85.2	-15.7	180	0	0	0	0	0	113.9
22	T	29.3	Very low	29.5	Very low	93 Å²	93	137.9 Å²	137.9	57%	0.571	74%	0.739	S	S	*	*	S	Bend	trans	-97.8	-14.5	-177.4	-26.8	0	0	0	0	113.1
23	K	29.9	Very low	29.4	Very low	164 Å²	164	135.3 Å²	135.3	71%	0.713	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-87	-17.2	-179.8	-98.5	-179.3	175.1	-178.8	0	115.4	R25	K23-R25 VanDerWaalsContact C-N 3.25Å; K23-R25 PolarHBondContact O-N 2.72Å
24	R	32.2	Very low	29.1	Very low	185 Å²	185	138.1 Å²	138.1	70%	0.698	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-83.4	4.3	170.4	-67.2	-167.6	-167.6	-164.4	2.5	114.1	A26	R24-A26 PolarHBondContact O-N 2.77Å
25	R	31.6	Very low	29.1	Very low	217 Å²	217	137.2 Å²	137.2	82%	0.819	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-78.5	-9.1	177.2	-143.8	174.4	-174.5	175.4	0.2	112.7	K23	K23-R25 VanDerWaalsContact C-N 3.25Å; K23-R25 PolarHBondContact O-N 2.72Å
26	A	31.8	Very low	29	Very low	85 Å²	85	135.8 Å²	135.8	70%	0.702	73%	0.729	S	S	*	*	S	Bend	trans	-102.3	-8.6	-176.8	0	0	0	0	0	114.7	R24	R24-A26 PolarHBondContact O-N 2.77Å
27	E	31.8	Very low	29	Very low	154 Å²	154	138.8 Å²	138.8	72%	0.72	73%	0.727	S	S	*	*	S	Bend	trans	-94.8	-3	-178.9	-76.8	176.2	158.4	0	0	114	S29	E27-S29 VanDerWaalsContact C-N 3.29Å; E27-S29 PolarHBondContact O-N 3.01Å
28	W	28	Very low	29	Very low	156 Å²	156	138.5 Å²	138.5	59%	0.591	73%	0.725	S	S	*	*			trans	-92.7	66.1	165.7	-80.8	54.9	0	0	0	109.1	Y30	W28-Y30 PolarHBondContact O-N 2.64Å
29	S	28	Very low	28.9	Very low	95 Å²	95	142.2 Å²	142.2	66%	0.664	73%	0.725	S	S	*	*			trans	-67.7	114.7	166.2	34.8	0	0	0	0	108.3	E27 I31	E27-S29 VanDerWaalsContact C-N 3.29Å; E27-S29 PolarHBondContact O-N 3.01Å; S29-I31 PolarHBondContact O-N 3.24Å
30	Y	28.3	Very low	29	Very low	219 Å²	219	144.1 Å²	144.1	86%	0.859	74%	0.739	S	S	*	*			trans	-46.5	104.6	171.7	-83.1	-95.1	0	0	0	110.9	W28 K32	W28-Y30 PolarHBondContact O-N 2.64Å; Y30-K32 PolarHBondContact O-N 3.27Å
31	I	27.5	Very low	28.9	Very low	148 Å²	148	144.7 Å²	144.7	76%	0.759	74%	0.738	S	S	*	*			trans	-74.5	95.8	163.3	-61	176.9	0	0	0	106.6	S29 I33	S29-I31 PolarHBondContact O-N 3.24Å; I31-I33 HydrophobicContact CG2-CD1 4.37Å; I31-I33 HydrophobicContact CG2-CG1 3.7Å; I31-I33 PolarHBondContact O-N 3.21Å; I31-I33 VanDerWaalsContact O-N 3.14Å
32	K	25.5	Very low	28.9	Very low	191 Å²	191	147 Å²	147	83%	0.83	74%	0.737	S	S	*	*			trans	-66.1	101.5	162.6	-82.8	-178.8	175.4	177.1	0	108.1	Y30 N34	Y30-K32 PolarHBondContact O-N 3.27Å; K32-N34 PolarHBondContact O-N 2.94Å
33	I	29.9	Very low	29	Very low	123 Å²	123	148.9 Å²	148.9	63%	0.631	74%	0.743	S	S	*	*			trans	-86.8	105.5	166.5	-54.8	-178.6	0	0	0	108	I31 I35	I31-I33 HydrophobicContact CG2-CD1 4.37Å; I31-I33 HydrophobicContact CG2-CG1 3.7Å; I31-I33 PolarHBondContact O-N 3.21Å; I31-I33 VanDerWaalsContact O-N 3.14Å; I33-I35 HydrophobicContact CG2-CD1 4.41Å; I33-I35 HydrophobicContact CG2-CG1 3.75Å
34	N	23.7	Very low	29	Very low	154 Å²	154	149.3 Å²	149.3	82%	0.824	75%	0.745	S	S	*	*			trans	-74.8	119.6	159.8	-86.7	-23.3	0	0	0	107.8	K32	K32-N34 PolarHBondContact O-N 2.94Å
35	I	28.2	Very low	28.9	Very low	127 Å²	127	146 Å²	146	65%	0.651	75%	0.75	S	S	*	*			trans	-104.7	102.3	169.6	-56.6	178.5	0	0	0	107.2	I33	I33-I35 HydrophobicContact CG2-CD1 4.41Å; I33-I35 HydrophobicContact CG2-CG1 3.75Å
36	T	25.8	Very low	28.9	Very low	130 Å²	130	140.5 Å²	140.5	80%	0.798	75%	0.745	S	S	*	*			trans	-94.8	111.3	161.4	41.3	0	0	0	0	108.1
37	H	27.3	Very low	28.7	Very low	155 Å²	155	145 Å²	145	72%	0.718	75%	0.751	S	S	*	*			trans	-78.4	123.4	168.9	-96.5	-86.7	0	0	0	109.6
38	S	29.4	Very low	28.8	Very low	114 Å²	114	148 Å²	148	80%	0.797	76%	0.762	S	S	*	*			trans	-138.9	113.2	156.1	57.1	0	0	0	0	109
39	Y	27.5	Very low	28.8	Very low	220 Å²	220	150 Å²	150	86%	0.863	78%	0.778	S	S	*	*			trans	-74.9	125.6	168.7	-87.1	-96.8	0	0	0	109.1
40	S	31.1	Very low	29.2	Very low	118 Å²	118	154.6 Å²	154.6	83%	0.825	79%	0.789	S	S	*	*			trans	-161	139.8	151.3	-174.5	0	0	0	0	110.4
41	S	29.5	Very low	29.3	Very low	95 Å²	95	152.3 Å²	152.3	66%	0.664	79%	0.792	S	S	*	*			trans	-76.3	158.7	-170.6	40	0	0	0	0	115.7
42	N	31.4	Very low	29.6	Very low	145 Å²	145	151.5 Å²	151.5	78%	0.775	79%	0.789	S	S	*	*			trans	106.7	116.9	153.9	-66.8	-8.1	0	0	0	119.6
43	D	31	Very low	30	Very low	131 Å²	131	147.8 Å²	147.8	70%	0.701	79%	0.785	S	S	*	*			trans	77.1	114.2	135.8	-84.5	-8.4	0	0	0	123.2
44	K	30	Very low	30.6	Very low	174 Å²	174	147.3 Å²	147.3	76%	0.757	79%	0.787	S	S	*	*			trans	83.2	119.3	130.5	-67.2	-178.1	-175	178.9	0	121.2
45	S	29.9	Very low	31.8	Very low	114 Å²	114	147.2 Å²	147.2	80%	0.797	78%	0.782	S	S	*	*			trans	92.4	139	134.9	59.9	0	0	0	0	121.4
46	S	31.2	Very low	32.9	Very low	103 Å²	103	149.8 Å²	149.8	72%	0.72	79%	0.789	S	S	*	*			trans	76.5	98.1	160.9	65.6	0	0	0	0	120.7
47	E	28.5	Very low	34.5	Very low	178 Å²	178	146.2 Å²	146.2	83%	0.832	76%	0.764	S	S	*	*				40.4	107.6	121.5	-68	175	173.3	0	0	119.3
48	F	32.7	Very low	36.7	Very low	217 Å²	217	141 Å²	141	95%	0.952	75%	0.746	S	S	*	*			trans	-154.4	109.7	136.3	-88.6	-75.4	0	0	0	108.3
49	E	28.6	Very low	38.4	Very low	199 Å²	199	140.5 Å²	140.5	93%	0.93	74%	0.739	S	S	*	*			trans	-83.4	117.9	172.4	-72.5	-175.7	152.8	0	0	109.6
50	E	35.5	Very low	40.3	Very low	192 Å²	192	137.5 Å²	137.5	90%	0.897	73%	0.733	S	S	*	*			trans	-122.6	114	162.9	-109.4	-177.2	178.7	0	0	108.7	N52	E50-N52 PolarHBondContact O-N 3.23Å
51	D	30.9	Very low	41.6	Very low	170 Å²	170	133.2 Å²	133.2	91%	0.909	70%	0.7	S	S	*	*			trans	-78.5	101.1	-169.1	-148	5.2	0	0	0	110.2
52	N	34.7	Very low	43.3	Very low	131 Å²	131	133.6 Å²	133.6	70%	0.701	69%	0.691	S	S	*	*			trans	-113.5	112	178.8	-151.1	-8.4	0	0	0	108.7	E50 T54	E50-N52 PolarHBondContact O-N 3.23Å; N52-T54 PolarHBondContact O-N 3.24Å
53	P	34	Very low	45.1	Very low	114 Å²	114	133.7 Å²	133.7	74%	0.74	69%	0.685	S	S	*	*			trans	-82.4	63.2	-170.9	34.4	-34.5	0	0	0	110.9	Q55	P53-Q55 VanDerWaalsContact C-N 3.35Å; P53-Q55 PolarHBondContact O-N 2.91Å; P53-Q55 VanDerWaalsContact O-N 3.11Å
54	T	42	Very low	46.6	Very low	112 Å²	112	130.2 Å²	130.2	69%	0.687	67%	0.674	S	S	*	*			trans	-71.8	95.9	154.8	34.2	0	0	0	0	107.4	N52 K56	N52-T54 PolarHBondContact O-N 3.24Å; T54-K56 VanDerWaalsContact C-N 3.32Å; T54-K56 PolarHBondContact O-N 3.29Å
55	Q	48.9	Very low	48.2	Very low	152 Å²	152	125.8 Å²	125.8	71%	0.71	66%	0.657	S	S	*	*			trans	-57.9	93.5	175.2	-76.5	-173.3	2.1	0	0	109.8	P53 L57	P53-Q55 VanDerWaalsContact C-N 3.35Å; P53-Q55 PolarHBondContact O-N 2.91Å; P53-Q55 VanDerWaalsContact O-N 3.11Å; Q55-L57 PolarHBondContact O-N 3.2Å
56	K	51.8	Low	49.9	Very low	182 Å²	182	124 Å²	124	79%	0.791	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-58.8	133.8	167.5	-76.5	178.5	177.7	173.6	0	108	T54	T54-K56 VanDerWaalsContact C-N 3.32Å; T54-K56 PolarHBondContact O-N 3.29Å
57	L	59.2	Low	51.4	Low	55 Å²	55	126.9 Å²	126.9	29%	0.288	65%	0.651	S	S	.	*	P	Polyproline II helix	trans	-49.6	140.8	170	-69.9	172.8	0	0	0	109.8	Q55 F61 Q62 I65	Q55-L57 PolarHBondContact O-N 3.2Å; L57-F61 HydrophobicContact CB-CD1 3.99Å; L57-F61 HydrophobicContact CD1-CD1 3.89Å; L57-F61 HydrophobicContact CD1-CE1 3.94Å; L57-F61 HydrophobicContact CD2-CD1 3.62Å; L57-F61 HydrophobicContact CD2-CE1 3.69Å; L57-F61 HydrophobicContact CG-CD1 4.02Å; L57-F61 HydrophobicContact CG-CE1 4.31Å; L57-Q62 HydrophobicContact CB-CG 4.05Å; L57-Q62 PolarHBondContact O-NE2 3.37Å; L57-I65 HydrophobicContact CD1-CD1 3.84Å
58	S	72.5	Confident	52.9	Low	46 Å²	46	119.9 Å²	119.9	32%	0.322	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-56.1	146	-178.7	70	0	0	0	0	110.7	E60 F61 Q62	S58-E60 PolarHBondContact O-N 2.97Å; S58-E60 VanDerWaalsContact O-N 3.16Å; S58-F61 CarbonylContact O-C 3.52Å; S58-F61 WeakPolarHBondContact O-CA 3.5Å; S58-F61 PolarHBondContact O-N 2.87Å; S58-F61 VanDerWaalsContact OG-CB 3.3Å; S58-F61 WeakPolarHBondContact OG-CB 3.29Å; S58-F61 PolarHBondContact OG-N 3.02Å; S58-Q62 PolarHBondContact O-N 3.06Å
59	P	65.4	Low	54	Low	102 Å²	102	113.3 Å²	113.3	66%	0.662	61%	0.606	S	S	*	*	H	α-helix	trans	-56	-33.2	178.5	-25.5	33.9	0	0	0	113	Q62 K63	P59-Q62 PolarHBondContact O-N 3.24Å; P59-K63 PolarHBondContact O-N 3.24Å
60	E	68.5	Low	55.7	Low	158 Å²	158	106 Å²	106	74%	0.738	58%	0.577	S	S	*	*	H	α-helix	trans	-64.7	-40.6	174.3	-67.6	159.2	171.1	0	0	111.9	S58 K63 A64	S58-E60 PolarHBondContact O-N 2.97Å; S58-E60 VanDerWaalsContact O-N 3.16Å; E60-K63 WeakPolarHBondContact O-CB 3.17Å; E60-K63 PolarHBondContact O-N 3.35Å; E60-A64 WeakPolarHBondContact O-CB 3.41Å; E60-A64 PolarHBondContact O-N 3.37Å
61	F	58	Low	56.8	Low	28 Å²	28	101 Å²	101	12%	0.123	56%	0.556	C	S	.	*	H	α-helix	trans	-75.2	-34.7	177	-171.9	-111.6	0	0	0	112.3	L57 S58 K63 A64 I65 Y397 H400	L57-F61 HydrophobicContact CB-CD1 3.99Å; L57-F61 HydrophobicContact CD1-CD1 3.89Å; L57-F61 HydrophobicContact CD1-CE1 3.94Å; L57-F61 HydrophobicContact CD2-CD1 3.62Å; L57-F61 HydrophobicContact CD2-CE1 3.69Å; L57-F61 HydrophobicContact CG-CD1 4.02Å; L57-F61 HydrophobicContact CG-CE1 4.31Å; S58-F61 CarbonylContact O-C 3.52Å; S58-F61 WeakPolarHBondContact O-CA 3.5Å; S58-F61 PolarHBondContact O-N 2.87Å; S58-F61 VanDerWaalsContact OG-CB 3.3Å; S58-F61 WeakPolarHBondContact OG-CB 3.29Å; S58-F61 PolarHBondContact OG-N 3.02Å; F61-K63 VanDerWaalsContact C-N 3.29Å; F61-K63 PolarHBondContact O-N 3.11Å; F61-A64 PolarHBondContact O-N 3.06Å; F61-I65 HydrophobicContact CD1-CD1 3.46Å; F61-I65 VanDerWaalsContact CD1-CD1 3.46Å; F61-I65 HydrophobicContact CD1-CG1 4.13Å; F61-I65 HydrophobicContact CE1-CD1 3.21Å; F61-I65 HydrophobicContact CE1-CG1 3.87Å; F61-I65 HydrophobicContact CE2-CG1 4.35Å; F61-I65 HydrophobicContact CG-CD1 4.3Å; F61-I65 HydrophobicContact CZ-CD1 3.8Å; F61-I65 HydrophobicContact CZ-CG1 3.97Å; F61-I65 WeakPolarHBondContact O-CB 3.46Å; F61-I65 WeakPolarHBondContact O-CG1 3.49Å; F61-I65 PolarHBondContact O-N 3.26Å; F61-Y397 AromaticContact CE1-CE2 3.94Å; F61-Y397 HydrophobicContact CE1-CE2 3.94Å; F61-Y397 HydrophobicContact CZ-CD2 4.35Å; F61-Y397 AromaticContact CZ-CE2 3.82Å; F61-Y397 HydrophobicContact CZ-CE2 3.82Å; F61-H400 AromaticContact CD2-CD2 3.89Å; F61-H400 AromaticContact CD2-CE1 3.97Å; F61-H400 AromaticContact CD2-NE2 3.32Å; F61-H400 VanDerWaalsContact CD2-NE2 3.32Å; F61-H400 WeakPolarHBondContact CD2-NE2 3.47Å; F61-H400 AromaticContact CE2-CD2 3.22Å; F61-H400 WeakPolarHBondContact CE2-CD2 3.41Å; F61-H400 AromaticContact CE2-CE1 3.78Å; F61-H400 AromaticContact CE2-CG 3.9Å; F61-H400 AromaticContact CE2-NE2 3.15Å; F61-H400 WeakPolarHBondContact CE2-NE2 3.36Å; F61-H400 AromaticContact CZ-CD2 3.38Å; F61-H400 WeakPolarHBondContact CZ-CD2 3.41Å; F61-H400 AromaticContact CZ-NE2 3.75Å
62	Q	65.4	Low	58.2	Low	102 Å²	102	96 Å²	96	48%	0.477	54%	0.535	S	S	.	.	H	α-helix	trans	-60.6	-41.1	170	-67.4	179.5	20.2	0	0	111	L57 S58 P59 A66	L57-Q62 HydrophobicContact CB-CG 4.05Å; L57-Q62 PolarHBondContact O-NE2 3.37Å; S58-Q62 PolarHBondContact O-N 3.06Å; P59-Q62 PolarHBondContact O-N 3.24Å; Q62-A66 VanDerWaalsContact O-CB 3.3Å; Q62-A66 WeakPolarHBondContact O-CB 3.37Å; Q62-A66 PolarHBondContact O-N 3.21Å
63	K	68.5	Low	59.4	Low	148 Å²	148	94.6 Å²	94.6	64%	0.643	52%	0.524	S	S	*	.	H	α-helix	trans	-63.6	-44	170.9	-83.7	-177.3	175.2	-179.7	0	112.3	P59 E60 F61 I65 A66 H67	P59-K63 PolarHBondContact O-N 3.24Å; E60-K63 WeakPolarHBondContact O-CB 3.17Å; E60-K63 PolarHBondContact O-N 3.35Å; F61-K63 VanDerWaalsContact C-N 3.29Å; F61-K63 PolarHBondContact O-N 3.11Å; K63-I65 PolarHBondContact O-N 3.15Å; K63-A66 PolarHBondContact O-N 2.99Å; K63-H67 PolarHBondContact O-N 3.44Å; K63-H67 PolarHBondContact O-ND1 3.42Å
64	A	63.3	Low	60.4	Low	57 Å²	57	94.2 Å²	94.2	47%	0.471	51%	0.511	S	S	.	.	H	α-helix	trans	-65	-37.8	178.8	0	0	0	0	0	112.8	E60 F61 H67 G68	E60-A64 WeakPolarHBondContact O-CB 3.41Å; E60-A64 PolarHBondContact O-N 3.37Å; F61-A64 PolarHBondContact O-N 3.06Å; A64-H67 CarbonylContact O-C 3.54Å; A64-H67 PolarHBondContact O-N 2.85Å; A64-G68 PolarHBondContact O-N 2.85Å
65	I	62.4	Low	61.3	Low	81 Å²	81	93.2 Å²	93.2	42%	0.415	50%	0.5	S	S	.	.	H	α-helix	trans	-65.6	-44.6	171.8	-70.3	164.9	0	0	0	110.3	L57 F61 K63 H67 G68 Y397	L57-I65 HydrophobicContact CD1-CD1 3.84Å; F61-I65 HydrophobicContact CD1-CD1 3.46Å; F61-I65 VanDerWaalsContact CD1-CD1 3.46Å; F61-I65 HydrophobicContact CD1-CG1 4.13Å; F61-I65 HydrophobicContact CE1-CD1 3.21Å; F61-I65 HydrophobicContact CE1-CG1 3.87Å; F61-I65 HydrophobicContact CE2-CG1 4.35Å; F61-I65 HydrophobicContact CG-CD1 4.3Å; F61-I65 HydrophobicContact CZ-CD1 3.8Å; F61-I65 HydrophobicContact CZ-CG1 3.97Å; F61-I65 WeakPolarHBondContact O-CB 3.46Å; F61-I65 WeakPolarHBondContact O-CG1 3.49Å; F61-I65 PolarHBondContact O-N 3.26Å; K63-I65 PolarHBondContact O-N 3.15Å; I65-H67 PolarHBondContact O-N 3.24Å; I65-G68 PolarHBondContact O-N 3.44Å; I65-Y397 HydrophobicContact CD1-CE2 4.42Å
66	A	65.5	Low	61.6	Low	77 Å²	77	92.9 Å²	92.9	64%	0.636	50%	0.496	S	S	*	.	H	α-helix	trans	-64	-21.6	178.8	0	0	0	0	0	113.2	Q62 K63	Q62-A66 VanDerWaalsContact O-CB 3.3Å; Q62-A66 WeakPolarHBondContact O-CB 3.37Å; Q62-A66 PolarHBondContact O-N 3.21Å; K63-A66 PolarHBondContact O-N 2.99Å
67	H	63.3	Low	61.4	Low	163 Å²	163	91.4 Å²	91.4	76%	0.755	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-2	178.3	-64.1	32.5	0	0	0	112.9	K63 A64 I65	K63-H67 PolarHBondContact O-N 3.44Å; K63-H67 PolarHBondContact O-ND1 3.42Å; A64-H67 CarbonylContact O-C 3.54Å; A64-H67 PolarHBondContact O-N 2.85Å; I65-H67 PolarHBondContact O-N 3.24Å
68	G	58.9	Low	60.8	Low	31 Å²	31	93.1 Å²	93.1	32%	0.32	51%	0.513	S	S	.	.	S	Bend	trans	-81	158.1	177.2	0	0	0	0	0	111.3	A64 I65 S70	A64-G68 PolarHBondContact O-N 2.85Å; I65-G68 PolarHBondContact O-N 3.44Å; G68-S70 PolarHBondContact O-N 3.37Å
69	P	56	Low	59.3	Low	80 Å²	80	96.5 Å²	96.5	52%	0.519	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-61.7	125.4	-178.1	24.5	-33.1	0	0	0	110.6	E73 F74	P69-E73 WeakPolarHBondContact CA-OE2 3.22Å; P69-E73 HydrophobicContact CB-CB 4.17Å; P69-E73 WeakPolarHBondContact CB-OE2 3.18Å; P69-F74 HydrophobicContact CB-CD2 4.27Å; P69-F74 HydrophobicContact CB-CE2 4.3Å; P69-F74 HydrophobicContact CG-CD2 4.29Å; P69-F74 HydrophobicContact CG-CE2 3.85Å
70	S	64.9	Low	57.7	Low	45 Å²	45	99 Å²	99	32%	0.315	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-63.2	156.5	176	59.5	0	0	0	0	110.8	G68 S72 E73 F74	G68-S70 PolarHBondContact O-N 3.37Å; S70-S72 PolarHBondContact O-N 2.95Å; S70-S72 VanDerWaalsContact O-N 3.15Å; S70-S72 PolarHBondContact OG-OG 3.29Å; S70-E73 WeakPolarHBondContact O-CA 3.31Å; S70-E73 WeakPolarHBondContact O-CB 3.3Å; S70-E73 PolarHBondContact O-N 3.12Å; S70-E73 WeakPolarHBondContact OG-CG 3.22Å; S70-E73 PolarHBondContact OG-N 3.08Å; S70-E73 VanDerWaalsContact OG-N 3.16Å; S70-F74 PolarHBondContact O-N 2.82Å; S70-F74 VanDerWaalsContact O-N 3.08Å
71	L	59.7	Low	56.3	Low	87 Å²	87	99.4 Å²	99.4	46%	0.455	54%	0.543	S	S	.	.	H	α-helix	trans	-53.4	-35.7	172	179.7	68.8	0	0	0	110.9	F74 I75	L71-F74 WeakPolarHBondContact O-CB 3.25Å; L71-F74 PolarHBondContact O-N 3.32Å; L71-I75 HydrophobicContact CD2-CD1 4.45Å; L71-I75 HydrophobicContact CG-CD1 3.95Å; L71-I75 VanDerWaalsContact O-CG1 3.28Å; L71-I75 WeakPolarHBondContact O-CG1 3.23Å; L71-I75 PolarHBondContact O-N 2.77Å
72	S	59.8	Low	55.1	Low	66 Å²	66	107.4 Å²	107.4	46%	0.462	58%	0.581	S	S	.	*	H	α-helix	trans	-68	-30.6	175.2	36.5	0	0	0	0	113.4	S70 I75 K76	S70-S72 PolarHBondContact O-N 2.95Å; S70-S72 VanDerWaalsContact O-N 3.15Å; S70-S72 PolarHBondContact OG-OG 3.29Å; S72-I75 PolarHBondContact O-N 3.29Å; S72-K76 VanDerWaalsContact O-CB 3.3Å; S72-K76 WeakPolarHBondContact O-CB 3.37Å; S72-K76 WeakPolarHBondContact O-CG 3.42Å; S72-K76 PolarHBondContact O-N 3.48Å
73	E	59.3	Low	53.8	Low	100 Å²	100	108.4 Å²	108.4	47%	0.467	60%	0.599	S	S	.	*	H	α-helix	trans	-68.6	-39.2	168.8	-79.8	172.1	-154.7	0	0	112.3	P69 S70 I75 K76 L77	P69-E73 WeakPolarHBondContact CA-OE2 3.22Å; P69-E73 HydrophobicContact CB-CB 4.17Å; P69-E73 WeakPolarHBondContact CB-OE2 3.18Å; S70-E73 WeakPolarHBondContact O-CA 3.31Å; S70-E73 WeakPolarHBondContact O-CB 3.3Å; S70-E73 PolarHBondContact O-N 3.12Å; S70-E73 WeakPolarHBondContact OG-CG 3.22Å; S70-E73 PolarHBondContact OG-N 3.08Å; S70-E73 VanDerWaalsContact OG-N 3.16Å; E73-I75 VanDerWaalsContact C-N 3.33Å; E73-I75 PolarHBondContact O-N 3.27Å; E73-K76 PolarHBondContact O-N 3.43Å; E73-L77 WeakPolarHBondContact O-CD1 3.24Å; E73-L77 PolarHBondContact O-N 3.06Å; E73-L77 VanDerWaalsContact O-N 3.1Å
74	F	54.9	Low	52	Low	106 Å²	106	107.6 Å²	107.6	47%	0.465	61%	0.606	S	S	.	*	H	α-helix	trans	-62.5	-39.6	172.6	-101.7	-84	0	0	0	112.4	P69 S70 L71 T152	P69-F74 HydrophobicContact CB-CD2 4.27Å; P69-F74 HydrophobicContact CB-CE2 4.3Å; P69-F74 HydrophobicContact CG-CD2 4.29Å; P69-F74 HydrophobicContact CG-CE2 3.85Å; S70-F74 PolarHBondContact O-N 2.82Å; S70-F74 VanDerWaalsContact O-N 3.08Å; L71-F74 WeakPolarHBondContact O-CB 3.25Å; L71-F74 PolarHBondContact O-N 3.32Å; F74-T152 HydrophobicContact CE1-CG2 4.36Å
75	I	60.7	Low	50.7	Low	92 Å²	92	113.6 Å²	113.6	47%	0.472	62%	0.622	S	S	.	*	H	α-helix	trans	-72.2	-39.4	177.1	-66.9	166.1	0	0	0	111.3	L71 S72 E73 L77 S78 N79	L71-I75 HydrophobicContact CD2-CD1 4.45Å; L71-I75 HydrophobicContact CG-CD1 3.95Å; L71-I75 VanDerWaalsContact O-CG1 3.28Å; L71-I75 WeakPolarHBondContact O-CG1 3.23Å; L71-I75 PolarHBondContact O-N 2.77Å; S72-I75 PolarHBondContact O-N 3.29Å; E73-I75 VanDerWaalsContact C-N 3.33Å; E73-I75 PolarHBondContact O-N 3.27Å; I75-L77 VanDerWaalsContact C-N 3.32Å; I75-L77 PolarHBondContact O-N 3.35Å; I75-S78 PolarHBondContact O-N 2.97Å; I75-S78 VanDerWaalsContact O-N 3.1Å; I75-N79 PolarHBondContact O-N 3.21Å
76	K	55	Low	49.1	Very low	144 Å²	144	118 Å²	118	63%	0.626	64%	0.641	S	S	*	*	H	α-helix	trans	-64.3	-33.6	177.9	-80.1	173.3	-178	179	0	112.8	S72 E73 S78 N79	S72-K76 VanDerWaalsContact O-CB 3.3Å; S72-K76 WeakPolarHBondContact O-CB 3.37Å; S72-K76 WeakPolarHBondContact O-CG 3.42Å; S72-K76 PolarHBondContact O-N 3.48Å; E73-K76 PolarHBondContact O-N 3.43Å; K76-S78 PolarHBondContact O-N 2.71Å; K76-N79 CarbonylContact O-C 3.58Å; K76-N79 PolarHBondContact O-N 3.15Å; K76-N79 VanDerWaalsContact O-N 3.15Å
77	L	48.4	Very low	47.4	Very low	151 Å²	151	121.6 Å²	121.6	79%	0.791	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-20.3	174.1	-81.5	157.3	0	0	0	113.4	E73 I75	E73-L77 WeakPolarHBondContact O-CD1 3.24Å; E73-L77 PolarHBondContact O-N 3.06Å; E73-L77 VanDerWaalsContact O-N 3.1Å; I75-L77 VanDerWaalsContact C-N 3.32Å; I75-L77 PolarHBondContact O-N 3.35Å
78	S	47.4	Very low	45.9	Very low	92 Å²	92	123.5 Å²	123.5	64%	0.643	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-14.2	175.8	-175.7	0	0	0	0	113.8	I75 K76	I75-S78 PolarHBondContact O-N 2.97Å; I75-S78 VanDerWaalsContact O-N 3.1Å; K76-S78 PolarHBondContact O-N 2.71Å
79	N	40	Very low	44.5	Very low	117 Å²	117	131.6 Å²	131.6	63%	0.626	68%	0.682	S	S	*	*			trans	-141.8	85.6	-172.1	-78.4	-42	0	0	0	111.1	I75 K76 N81	I75-N79 PolarHBondContact O-N 3.21Å; K76-N79 CarbonylContact O-C 3.58Å; K76-N79 PolarHBondContact O-N 3.15Å; K76-N79 VanDerWaalsContact O-N 3.15Å; N79-N81 PolarHBondContact O-N 3.43Å
80	N	32.5	Very low	43.5	Very low	155 Å²	155	133.1 Å²	133.1	83%	0.829	70%	0.695	S	S	*	*			trans	-78	93	162	-90.5	-19.6	0	0	0	109.1
81	N	39.2	Very low	42.4	Very low	166 Å²	166	135 Å²	135	89%	0.888	71%	0.708	S	S	*	*			trans	-159.4	115.4	147.9	-91.3	-28.9	0	0	0	109.5	N79	N79-N81 PolarHBondContact O-N 3.43Å
82	Q	33	Very low	41.5	Very low	196 Å²	196	136.7 Å²	136.7	92%	0.916	72%	0.724	S	S	*	*			trans	-78.2	136.9	177.9	-72.2	173.1	-7.7	0	0	111.1
83	S	37.8	Very low	41	Very low	123 Å²	123	137 Å²	137	86%	0.86	73%	0.727	S	S	*	*			trans	-158.1	133	143.5	54.8	0	0	0	0	110.4
84	T	30.4	Very low	40.5	Very low	130 Å²	130	135.2 Å²	135.2	80%	0.798	73%	0.725	S	S	*	*			trans	-91.5	161.3	-171.6	45.1	0	0	0	0	113.2
85	K	35.8	Very low	40.4	Very low	184 Å²	184	134.7 Å²	134.7	80%	0.8	73%	0.73	S	S	*	*			trans	116.8	102.3	151	-68	-174.5	172.8	-178.1	0	116.8
86	E	28.6	Very low	39.8	Very low	174 Å²	174	132.8 Å²	132.8	81%	0.813	72%	0.721	S	S	*	*				34.2	132.5	118.9	-66.8	172.2	175.6	0	0	120
87	D	29.6	Very low	39.6	Very low	151 Å²	151	135.9 Å²	135.9	81%	0.807	73%	0.734	S	S	*	*			trans	96.9	127.4	155	-59.1	-24.4	0	0	0	120
88	F	31.3	Very low	39.9	Very low	204 Å²	204	132.5 Å²	132.5	90%	0.895	72%	0.724	S	S	*	*			trans	101.7	102.3	156.4	-120.9	-99.9	0	0	0	119.5	S90	F88-S90 PolarHBondContact O-N 3.1Å
89	F	30.2	Very low	40.4	Very low	200 Å²	200	130.5 Å²	130.5	88%	0.877	72%	0.717	S	S	*	*			trans	-44.9	112.7	163.1	-88.6	-106.8	0	0	0	112.9
90	S	35.2	Very low	41.5	Very low	112 Å²	112	132.5 Å²	132.5	78%	0.783	72%	0.72	S	S	*	*			trans	171.5	103.7	138.2	-78.7	0	0	0	0	108.7	F88 P92	F88-S90 PolarHBondContact O-N 3.1Å; S90-P92 WeakPolarHBondContact O-CD 3.28Å
91	S	42.3	Very low	43.3	Very low	86 Å²	86	129.6 Å²	129.6	60%	0.601	71%	0.712	S	S	*	*			trans	-62.3	126.2	173.6	-54.9	0	0	0	0	109.9	S93	S91-S93 PolarHBondContact O-N 3.39Å
92	P	39.4	Very low	45.3	Very low	122 Å²	122	122.9 Å²	122.9	79%	0.792	68%	0.676	S	S	*	*			trans	-75	93.3	173.4	29.2	-30.1	0	0	0	108.6	S90 S94	S90-P92 WeakPolarHBondContact O-CD 3.28Å; P92-S94 PolarHBondContact O-N 2.93Å
93	S	49.1	Very low	47.8	Very low	73 Å²	73	124.9 Å²	124.9	51%	0.51	68%	0.675	S	S	.	*			trans	-67.6	112.5	169.5	46	0	0	0	0	108.8	S91 V95 E359	S91-S93 PolarHBondContact O-N 3.39Å; S93-V95 PolarHBondContact O-N 3.48Å; S93-E359 WeakPolarHBondContact CB-OE1 3.3Å
94	S	50.7	Low	50.2	Low	62 Å²	62	122.7 Å²	122.7	43%	0.434	65%	0.654	S	S	.	*			trans	-79.6	66	176.8	44.2	0	0	0	0	110.3	P92 N96	P92-S94 PolarHBondContact O-N 2.93Å; S94-N96 PolarHBondContact O-N 3.5Å
95	V	50.8	Low	53.1	Low	95 Å²	95	117.4 Å²	117.4	58%	0.576	62%	0.621	S	S	*	*			trans	-73.3	114.8	177.5	-176.5	0	0	0	0	109.6	S93 K97	S93-V95 PolarHBondContact O-N 3.48Å; V95-K97 PolarHBondContact O-N 3.1Å
96	N	50	Low	55.7	Low	51 Å²	51	115 Å²	115	27%	0.273	61%	0.613	S	S	.	*			trans	-82.1	104.1	-178.7	-150.6	-30.7	0	0	0	112.1	S94 S98 K100 L102	S94-N96 PolarHBondContact O-N 3.5Å; N96-S98 VanDerWaalsContact C-N 3.29Å; N96-S98 PolarHBondContact OD1-N 3.39Å; N96-S98 PolarHBondContact OD1-OG 2.67Å; N96-K100 PolarHBondContact ND2-O 2.96Å; N96-L102 HydrophobicContact CB-CD2 3.85Å; N96-L102 HydrophobicContact CB-CG 4.24Å
97	K	50.8	Low	58.7	Low	209 Å²	209	111.3 Å²	111.3	91%	0.909	59%	0.592	S	S	*	*	S	Bend	trans	-76.5	-11.8	169.2	-70.7	-176.9	178.9	176.8	0	113.5	V95	V95-K97 PolarHBondContact O-N 3.1Å
98	S	53.8	Low	61.4	Low	81 Å²	81	104.5 Å²	104.5	57%	0.566	56%	0.555	S	S	*	*	S	Bend	trans	-109.3	6.6	-162.6	73.8	0	0	0	0	116.6	N96 K100	N96-S98 VanDerWaalsContact C-N 3.29Å; N96-S98 PolarHBondContact OD1-N 3.39Å; N96-S98 PolarHBondContact OD1-OG 2.67Å; S98-K100 PolarHBondContact O-N 2.89Å
99	G	58.5	Low	64	Low	49 Å²	49	100.3 Å²	100.3	51%	0.505	54%	0.536	S	S	.	.			trans	66.4	-5.4	177.9	0	0	0	0	0	116.2	K356	G99-K356 PolarHBondContact O-NZ 2.85Å
100	K	62.8	Low	66.3	Low	160 Å²	160	93.6 Å²	93.6	70%	0.696	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-67.1	154.9	171.9	-70.8	-177.5	178.4	177.7	0	110.7	N96 S98	N96-K100 PolarHBondContact ND2-O 2.96Å; S98-K100 PolarHBondContact O-N 2.89Å
101	S	69.8	Low	68	Low	93 Å²	93	96.4 Å²	96.4	65%	0.65	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-66.6	135.4	173.7	-173.2	0	0	0	0	110
102	L	80.9	Confident	69.3	Low	26 Å²	26	99.1 Å²	99.1	14%	0.136	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-68.1	144.6	169.1	-69.6	172.1	0	0	0	109.8	N96 Y360	N96-L102 HydrophobicContact CB-CD2 3.85Å; N96-L102 HydrophobicContact CB-CG 4.24Å; L102-Y360 HydrophobicContact CB-CD2 3.94Å; L102-Y360 HydrophobicContact CB-CE2 3.45Å; L102-Y360 VanDerWaalsContact CB-CE2 3.45Å; L102-Y360 HydrophobicContact CD1-CD2 4.21Å; L102-Y360 HydrophobicContact CD1-CE2 4.36Å
103	R	86.3	Confident	70.4	Confident	237 Å²	237	96.1 Å²	96.1	89%	0.894	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-76.9	137.4	171.8	-71.4	-173.2	178.9	-174.1	-0.1	109.2	P105 Y360	R103-P105 WeakPolarHBondContact O-CD 3.5Å; R103-Y360 WeakPolarHBondContact O-CE2 3.19Å
104	L	88	Confident	70.8	Confident	78 Å²	78	98.3 Å²	98.3	41%	0.408	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-65.8	123.4	177.9	-167.8	73.2	0	0	0	109.3	L108 K109 Y360	L104-L108 HydrophobicContact CD1-CB 3.79Å; L104-L108 HydrophobicContact CD1-CD1 3.97Å; L104-L108 HydrophobicContact CD2-CB 4.46Å; L104-L108 HydrophobicContact CG-CB 4.01Å; L104-K109 HydrophobicContact CD2-CG 4.31Å; L104-Y360 HydrophobicContact CD1-CE1 3.81Å
105	P	91.4	Very high	71.5	Confident	19 Å²	19	97.2 Å²	97.2	12%	0.123	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-71.3	162.6	178.2	31.3	-38.1	0	0	0	111.9	R103 W107 L108 Y360	R103-P105 WeakPolarHBondContact O-CD 3.5Å; P105-W107 VanDerWaalsContact C-N 3.35Å; P105-W107 HydrophobicContact CB-CD2 3.69Å; P105-W107 HydrophobicContact CB-CE3 3.68Å; P105-W107 HydrophobicContact CB-CH2 3.41Å; P105-W107 VanDerWaalsContact CB-CH2 3.41Å; P105-W107 HydrophobicContact CB-CZ2 3.42Å; P105-W107 VanDerWaalsContact CB-CZ2 3.42Å; P105-W107 HydrophobicContact CB-CZ3 3.54Å; P105-W107 HydrophobicContact CG-CD2 3.94Å; P105-W107 VanDerWaalsContact CG-CE2 3.41Å; P105-W107 HydrophobicContact CG-CE3 4.43Å; P105-W107 HydrophobicContact CG-CH2 4.01Å; P105-W107 HydrophobicContact CG-CZ2 3.47Å; P105-W107 VanDerWaalsContact CG-CZ2 3.47Å; P105-W107 HydrophobicContact CG-CZ3 4.46Å; P105-W107 PolarHBondContact O-N 3.25Å; P105-L108 HydrophobicContact CG-CB 4.26Å; P105-L108 HydrophobicContact CG-CD1 3.69Å; P105-L108 HydrophobicContact CG-CG 4.14Å; P105-L108 PolarHBondContact O-N 3.17Å; P105-Y360 VanDerWaalsContact CD-CD2 3.5Å; P105-Y360 HydrophobicContact CG-CD1 4.33Å; P105-Y360 HydrophobicContact CG-CD2 4.26Å; P105-Y360 HydrophobicContact CG-CG 3.91Å
106	E	91	Very high	72.4	Confident	133 Å²	133	95.7 Å²	95.7	62%	0.621	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-58.9	-42.8	-175.5	-162.1	61.2	-144.7	0	0	112.7	L108 K109	E106-L108 PolarHBondContact O-N 3.41Å; E106-K109 WeakPolarHBondContact O-CB 3.48Å; E106-K109 PolarHBondContact O-N 3.48Å; E106-K109 WeakPolarHBondContact OE1-CD 2.97Å; E106-K109 IonicContact OE1-NZ 3.53Å; E106-K109 VanDerWaalsContact OE2-CE 3.29Å; E106-K109 WeakPolarHBondContact OE2-CE 3.5Å; E106-K109 IonicContact OE2-NZ 2.64Å; E106-K109 PolarHBondContact OE2-NZ 3.48Å
107	W	90.3	Very high	73.4	Confident	97 Å²	97	95.2 Å²	95.2	37%	0.367	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-68.5	-6.5	-177	63.9	84.9	0	0	0	115.1	P105 I361 P363	P105-W107 VanDerWaalsContact C-N 3.35Å; P105-W107 HydrophobicContact CB-CD2 3.69Å; P105-W107 HydrophobicContact CB-CE3 3.68Å; P105-W107 HydrophobicContact CB-CH2 3.41Å; P105-W107 VanDerWaalsContact CB-CH2 3.41Å; P105-W107 HydrophobicContact CB-CZ2 3.42Å; P105-W107 VanDerWaalsContact CB-CZ2 3.42Å; P105-W107 HydrophobicContact CB-CZ3 3.54Å; P105-W107 HydrophobicContact CG-CD2 3.94Å; P105-W107 VanDerWaalsContact CG-CE2 3.41Å; P105-W107 HydrophobicContact CG-CE3 4.43Å; P105-W107 HydrophobicContact CG-CH2 4.01Å; P105-W107 HydrophobicContact CG-CZ2 3.47Å; P105-W107 VanDerWaalsContact CG-CZ2 3.47Å; P105-W107 HydrophobicContact CG-CZ3 4.46Å; P105-W107 PolarHBondContact O-N 3.25Å; W107-I361 PolarHBondContact NE1-O 3.08Å; W107-P363 HydrophobicContact CB-CG 3.98Å; W107-P363 HydrophobicContact CD2-CG 4.18Å; W107-P363 HydrophobicContact CG-CG 3.74Å
108	L	87.9	Confident	74.4	Confident	7 Å²	7	85.8 Å²	85.8	4%	0.037	48%	0.476	C	S	.	.	G	3₁₀ helix	trans	-105.4	-5.3	174	-76.7	171.4	0	0	0	113	L104 P105 E106 Q346 Y360 P385 L386	L104-L108 HydrophobicContact CD1-CB 3.79Å; L104-L108 HydrophobicContact CD1-CD1 3.97Å; L104-L108 HydrophobicContact CD2-CB 4.46Å; L104-L108 HydrophobicContact CG-CB 4.01Å; P105-L108 HydrophobicContact CG-CB 4.26Å; P105-L108 HydrophobicContact CG-CD1 3.69Å; P105-L108 HydrophobicContact CG-CG 4.14Å; P105-L108 PolarHBondContact O-N 3.17Å; E106-L108 PolarHBondContact O-N 3.41Å; L108-Q346 HydrophobicContact CD1-CG 3.81Å; L108-Q346 HydrophobicContact CD2-CB 4.12Å; L108-Q346 HydrophobicContact CD2-CG 4.11Å; L108-Y360 HydrophobicContact CD1-CD1 3.35Å; L108-Y360 HydrophobicContact CD1-CE1 3.78Å; L108-Y360 HydrophobicContact CD1-CG 4.18Å; L108-P385 HydrophobicContact CD2-CB 3.51Å; L108-P385 HydrophobicContact CG-CB 4.28Å; L108-L386 HydrophobicContact CD2-CD2 3.97Å
109	K	84.6	Confident	75.5	Confident	116 Å²	116	84.6 Å²	84.6	50%	0.504	47%	0.471	S	S	.	.			trans	-71.5	134.5	175	-65.4	-179	-174.8	170.4	0	108.8	L104 E106	L104-K109 HydrophobicContact CD2-CG 4.31Å; E106-K109 WeakPolarHBondContact O-CB 3.48Å; E106-K109 PolarHBondContact O-N 3.48Å; E106-K109 WeakPolarHBondContact OE1-CD 2.97Å; E106-K109 IonicContact OE1-NZ 3.53Å; E106-K109 VanDerWaalsContact OE2-CE 3.29Å; E106-K109 WeakPolarHBondContact OE2-CE 3.5Å; E106-K109 IonicContact OE2-NZ 2.64Å; E106-K109 PolarHBondContact OE2-NZ 3.48Å
110	T	78.2	Confident	76.4	Confident	59 Å²	59	90.3 Å²	90.3	36%	0.362	48%	0.477	S	S	.	.			trans	-123.1	153.4	177.2	43.8	0	0	0	0	108.4	P140 L386	T110-P140 HydrophobicContact CG2-CB 4.27Å; T110-L386 HydrophobicContact CG2-CD1 3.67Å; T110-L386 HydrophobicContact CG2-CD2 3.92Å; T110-L386 HydrophobicContact CG2-CG 4.47Å
111	E	72.4	Confident	77	Confident	171 Å²	171	84 Å²	84	80%	0.799	45%	0.451	S	S	*	.			trans	-67.3	142.3	173.6	-64.7	-171.6	165.5	0	0	110.4
112	I	69.3	Low	77.4	Confident	143 Å²	143	82 Å²	82	73%	0.733	43%	0.432	S	S	*	.			trans	-65.5	131	177.4	-61.3	173.9	0	0	0	107.9	C114	I112-C114 PolarHBondContact O-N 2.85Å
113	P	62.3	Low	77.4	Confident	59 Å²	59	88.6 Å²	88.6	38%	0.383	46%	0.459	S	S	.	.			trans	-63.8	102	-179.3	24.3	-33.7	0	0	0	111	I142	P113-I142 HydrophobicContact CB-CG2 3.78Å; P113-I142 HydrophobicContact CG-CG2 3.73Å
114	C	57.5	Low	77.1	Confident	119 Å²	119	80.4 Å²	80.4	80%	0.804	43%	0.431	S	S	*	.			trans	-124	109.3	174	-75.4	0	0	0	0	108.8	I112	I112-C114 PolarHBondContact O-N 2.85Å
115	G	64.7	Low	76.8	Confident	40 Å²	40	76.9 Å²	76.9	41%	0.412	41%	0.412	S	S	.	.			trans	-178.7	146.8	177.1	0	0	0	0	0	114.2	S117 V118	G115-S117 VanDerWaalsContact C-N 3.3Å; G115-S117 PolarHBondContact O-N 2.85Å; G115-V118 PolarHBondContact O-N 3.25Å
116	G	69.6	Low	76.4	Confident	62 Å²	62	84.1 Å²	84.1	64%	0.639	44%	0.437	S	S	*	.	H	α-helix	trans	-68.1	-25.4	179.1	0	0	0	0	0	114.2	R120	G116-R120 WeakPolarHBondContact O-CB 3.36Å; G116-R120 PolarHBondContact O-N 2.75Å; G116-R120 VanDerWaalsContact O-N 3.07Å
117	S	70.8	Confident	76.1	Confident	41 Å²	41	82.1 Å²	82.1	29%	0.287	44%	0.438	S	S	.	.	H	α-helix	trans	-62.8	-46.7	175.6	51.7	0	0	0	0	111.7	G115 R120 L121	G115-S117 VanDerWaalsContact C-N 3.3Å; G115-S117 PolarHBondContact O-N 2.85Å; S117-R120 PolarHBondContact O-N 3.04Å; S117-L121 PolarHBondContact O-N 3.33Å; S117-L121 VanDerWaalsContact O-N 3.08Å
118	V	71.8	Confident	75.7	Confident	12 Å²	12	79.2 Å²	79.2	7%	0.073	43%	0.43	C	S	.	.	H	α-helix	trans	-61.4	-51.8	179	178.8	0	0	0	0	109.9	G115 R120 L121 Q122 W146	G115-V118 PolarHBondContact O-N 3.25Å; V118-R120 VanDerWaalsContact C-N 3.28Å; V118-R120 PolarHBondContact O-N 3.49Å; V118-L121 PolarHBondContact O-N 3.4Å; V118-L121 VanDerWaalsContact O-N 3.14Å; V118-Q122 HydrophobicContact CG1-CG 4.33Å; V118-Q122 WeakPolarHBondContact O-CG 3.31Å; V118-Q122 PolarHBondContact O-N 2.92Å; V118-W146 HydrophobicContact CB-CE3 4.39Å; V118-W146 HydrophobicContact CG1-CE3 3.88Å; V118-W146 HydrophobicContact CG1-CZ3 4.15Å; V118-W146 HydrophobicContact CG2-CB 4.36Å
119	A	77.1	Confident	75.5	Confident	55 Å²	55	83.7 Å²	83.7	46%	0.455	45%	0.453	S	S	.	.	H	α-helix	trans	-59	-37.7	179.7	0	0	0	0	0	112.9	K123	A119-K123 WeakPolarHBondContact O-CB 3.1Å; A119-K123 PolarHBondContact O-N 2.79Å
120	R	77.3	Confident	75.6	Confident	169 Å²	169	78.5 Å²	78.5	64%	0.638	43%	0.431	S	S	*	.	H	α-helix	trans	-63.3	-47.3	175.5	-175.1	-179.9	71.1	168.4	2	111.7	G116 S117 V118 K123 Q124	G116-R120 WeakPolarHBondContact O-CB 3.36Å; G116-R120 PolarHBondContact O-N 2.75Å; G116-R120 VanDerWaalsContact O-N 3.07Å; S117-R120 PolarHBondContact O-N 3.04Å; V118-R120 VanDerWaalsContact C-N 3.28Å; V118-R120 PolarHBondContact O-N 3.49Å; R120-K123 PolarHBondContact O-N 2.67Å; R120-Q124 WeakPolarHBondContact O-CG 3.45Å; R120-Q124 PolarHBondContact O-N 3.31Å
121	L	76.4	Confident	76	Confident	28 Å²	28	77.5 Å²	77.5	15%	0.147	42%	0.422	C	S	.	.	H	α-helix	trans	-63.6	-43.7	178.2	-76.7	167.6	0	0	0	111.4	S117 V118 K123 Q124 L125 W146 W198	S117-L121 PolarHBondContact O-N 3.33Å; S117-L121 VanDerWaalsContact O-N 3.08Å; V118-L121 PolarHBondContact O-N 3.4Å; V118-L121 VanDerWaalsContact O-N 3.14Å; L121-K123 VanDerWaalsContact C-N 3.3Å; L121-K123 PolarHBondContact O-N 3.3Å; L121-Q124 PolarHBondContact O-N 3.04Å; L121-Q124 VanDerWaalsContact O-N 3.16Å; L121-L125 WeakPolarHBondContact O-CB 3.41Å; L121-L125 WeakPolarHBondContact O-CD1 3.47Å; L121-L125 WeakPolarHBondContact O-CG 3.26Å; L121-L125 PolarHBondContact O-N 3.35Å; L121-W146 HydrophobicContact CB-CE3 3.73Å; L121-W146 HydrophobicContact CB-CZ3 3.81Å; L121-W146 HydrophobicContact CD1-CB 3.84Å; L121-W146 HydrophobicContact CD1-CD2 4.09Å; L121-W146 HydrophobicContact CD1-CE3 3.87Å; L121-W146 HydrophobicContact CD1-CG 4.1Å; L121-W146 HydrophobicContact CG-CE3 4.47Å; L121-W198 HydrophobicContact CD2-CD2 4.49Å; L121-W198 HydrophobicContact CD2-CZ2 4.42Å
122	Q	77.5	Confident	76.6	Confident	51 Å²	51	69.4 Å²	69.4	24%	0.238	39%	0.385	C	S	.	.	H	α-helix	trans	-57	-43.5	174.8	-67.7	-175.9	-45.3	0	0	111.9	V118 L125 R126 E135 W146	V118-Q122 HydrophobicContact CG1-CG 4.33Å; V118-Q122 WeakPolarHBondContact O-CG 3.31Å; V118-Q122 PolarHBondContact O-N 2.92Å; Q122-L125 PolarHBondContact O-N 3.48Å; Q122-R126 WeakPolarHBondContact O-CB 3.32Å; Q122-R126 VanDerWaalsContact O-CG 3.29Å; Q122-R126 WeakPolarHBondContact O-CG 3.14Å; Q122-R126 PolarHBondContact O-N 2.77Å; Q122-E135 VanDerWaalsContact CG-OE1 3.28Å; Q122-E135 WeakPolarHBondContact CG-OE1 3.33Å; Q122-E135 PolarHBondContact NE2-OE1 3.16Å; Q122-W146 HydrophobicContact CG-CH2 4.19Å; Q122-W146 HydrophobicContact CG-CZ3 3.64Å
123	K	81.6	Confident	77.3	Confident	164 Å²	164	64.4 Å²	64.4	71%	0.713	36%	0.36	S	S	*	.	H	α-helix	trans	-63.4	-42.2	177.8	-171.6	178.8	179.8	-178.8	0	111.8	A119 R120 L121 S127	A119-K123 WeakPolarHBondContact O-CB 3.1Å; A119-K123 PolarHBondContact O-N 2.79Å; R120-K123 PolarHBondContact O-N 2.67Å; L121-K123 VanDerWaalsContact C-N 3.3Å; L121-K123 PolarHBondContact O-N 3.3Å; K123-S127 WeakPolarHBondContact O-CB 3.29Å; K123-S127 PolarHBondContact O-N 3.07Å; K123-S127 PolarHBondContact O-OG 3.27Å
124	Q	80	Confident	78.1	Confident	66 Å²	66	62 Å²	62	31%	0.308	35%	0.345	S	S	.	.	H	α-helix	trans	-64.1	-48.1	177.3	-73.7	-179.1	-36	0	0	111.9	R120 L121 R126 S127 L128	R120-Q124 WeakPolarHBondContact O-CG 3.45Å; R120-Q124 PolarHBondContact O-N 3.31Å; L121-Q124 PolarHBondContact O-N 3.04Å; L121-Q124 VanDerWaalsContact O-N 3.16Å; Q124-R126 VanDerWaalsContact C-N 3.34Å; Q124-R126 PolarHBondContact O-N 2.92Å; Q124-S127 PolarHBondContact O-N 3.07Å; Q124-S127 VanDerWaalsContact O-N 3.17Å; Q124-S127 PolarHBondContact O-OG 3.23Å; Q124-L128 PolarHBondContact O-N 2.96Å
125	L	82.2	Confident	79.2	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.016	32%	0.317	C	S	.	.	H	α-helix	trans	-55.7	-48.7	177.4	-75.6	161.2	0	0	0	111.5	L121 Q122 S127 L128 N129 L130 T132 W146 W198	L121-L125 WeakPolarHBondContact O-CB 3.41Å; L121-L125 WeakPolarHBondContact O-CD1 3.47Å; L121-L125 WeakPolarHBondContact O-CG 3.26Å; L121-L125 PolarHBondContact O-N 3.35Å; Q122-L125 PolarHBondContact O-N 3.48Å; L125-S127 VanDerWaalsContact C-N 3.35Å; L125-S127 PolarHBondContact O-N 3.35Å; L125-L128 PolarHBondContact O-N 3.19Å; L125-N129 PolarHBondContact O-N 2.77Å; L125-L130 HydrophobicContact CD2-CB 3.86Å; L125-L130 HydrophobicContact CD2-CD1 4.37Å; L125-L130 PolarHBondContact O-N 3.44Å; L125-T132 HydrophobicContact CD1-CG2 3.39Å; L125-T132 HydrophobicContact CD2-CG2 3.75Å; L125-T132 HydrophobicContact CG-CG2 4.18Å; L125-W146 HydrophobicContact CD1-CH2 3.58Å; L125-W146 HydrophobicContact CD1-CZ2 4.16Å; L125-W146 HydrophobicContact CD1-CZ3 4.19Å; L125-W198 HydrophobicContact CD2-CH2 3.66Å; L125-W198 HydrophobicContact CD2-CZ2 3.88Å; L125-W198 HydrophobicContact CG-CH2 4.32Å; L125-W198 HydrophobicContact CG-CZ2 4.16Å
126	R	82.4	Confident	80	Confident	172 Å²	172	58.6 Å²	58.6	65%	0.649	31%	0.307	S	S	*	.	H	α-helix	trans	-63	-38.4	177.4	-70	175.8	-169.3	172.1	6.7	113	Q122 Q124 L128 N129	Q122-R126 WeakPolarHBondContact O-CB 3.32Å; Q122-R126 VanDerWaalsContact O-CG 3.29Å; Q122-R126 WeakPolarHBondContact O-CG 3.14Å; Q122-R126 PolarHBondContact O-N 2.77Å; Q124-R126 VanDerWaalsContact C-N 3.34Å; Q124-R126 PolarHBondContact O-N 2.92Å; R126-L128 PolarHBondContact O-N 3.08Å; R126-N129 PolarHBondContact O-N 3.14Å
127	S	83.6	Confident	80.4	Confident	91 Å²	91	56.8 Å²	56.8	64%	0.636	29%	0.286	S	S	*	.	H	α-helix	trans	-66.2	-22.2	179	68.4	0	0	0	0	113.7	K123 Q124 L125	K123-S127 WeakPolarHBondContact O-CB 3.29Å; K123-S127 PolarHBondContact O-N 3.07Å; K123-S127 PolarHBondContact O-OG 3.27Å; Q124-S127 PolarHBondContact O-N 3.07Å; Q124-S127 VanDerWaalsContact O-N 3.17Å; Q124-S127 PolarHBondContact O-OG 3.23Å; L125-S127 VanDerWaalsContact C-N 3.35Å; L125-S127 PolarHBondContact O-N 3.35Å
128	L	82.6	Confident	80.8	Confident	36 Å²	36	62.8 Å²	62.8	19%	0.188	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	10.4	178.9	-63.8	174.9	0	0	0	112.6	Q124 L125 R126 L130 A194	Q124-L128 PolarHBondContact O-N 2.96Å; L125-L128 PolarHBondContact O-N 3.19Å; R126-L128 PolarHBondContact O-N 3.08Å; L128-L130 HydrophobicContact CB-CD1 3.98Å; L128-L130 HydrophobicContact CB-CG 3.9Å; L128-L130 HydrophobicContact CD1-CD1 4.41Å; L128-L130 PolarHBondContact O-N 3.02Å; L128-A194 HydrophobicContact CD1-CB 3.43Å; L128-A194 VanDerWaalsContact CD1-CB 3.43Å
129	N	83.9	Confident	81.2	Confident	100 Å²	100	63.1 Å²	63.1	54%	0.535	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	37.5	-176.5	-162.1	42.7	0	0	0	113.3	L125 R126	L125-N129 PolarHBondContact O-N 2.77Å; R126-N129 PolarHBondContact O-N 3.14Å
130	L	86.7	Confident	81.3	Confident	7 Å²	7	62 Å²	62	4%	0.037	29%	0.293	C	S	.	.			trans	-101.9	147.5	180	-60.8	178.3	0	0	0	111.2	L125 L128 E187 T191 A194	L125-L130 HydrophobicContact CD2-CB 3.86Å; L125-L130 HydrophobicContact CD2-CD1 4.37Å; L125-L130 PolarHBondContact O-N 3.44Å; L128-L130 HydrophobicContact CB-CD1 3.98Å; L128-L130 HydrophobicContact CB-CG 3.9Å; L128-L130 HydrophobicContact CD1-CD1 4.41Å; L128-L130 PolarHBondContact O-N 3.02Å; L130-E187 HydrophobicContact CD2-CG 4.33Å; L130-T191 VanDerWaalsContact CD2-OG1 3.28Å; L130-T191 WeakPolarHBondContact CD2-OG1 3.49Å; L130-A194 HydrophobicContact CD1-CB 3.58Å
131	H	86.5	Confident	81.4	Confident	38 Å²	38	54.1 Å²	54.1	18%	0.176	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	156.7	176.7	-57.5	-83.8	0	0	0	111.2	E136 M159	H131-E136 IonicContact ND1-OE1 3.98Å; H131-M159 HydrophobicContact CB-CB 4.44Å; H131-M159 HydrophobicContact CB-CE 4.12Å; H131-M159 PolarHBondContact O-N 3.19Å
132	T	85.1	Confident	81.5	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	138.6	171.7	67.4	0	0	0	0	110.5	L125 C134 E135 E136 W146 T157	L125-T132 HydrophobicContact CD1-CG2 3.39Å; L125-T132 HydrophobicContact CD2-CG2 3.75Å; L125-T132 HydrophobicContact CG-CG2 4.18Å; T132-C134 PolarHBondContact O-N 3.02Å; T132-E135 PolarHBondContact O-N 2.84Å; T132-E135 WeakPolarHBondContact OG1-CG 3.28Å; T132-E135 PolarHBondContact OG1-N 3.49Å; T132-E135 PolarHBondContact OG1-OE2 2.97Å; T132-E136 WeakPolarHBondContact O-CG 3.39Å; T132-E136 PolarHBondContact O-N 3.41Å; T132-E136 VanDerWaalsContact O-N 3.08Å; T132-W146 HydrophobicContact CG2-CH2 4.32Å; T132-W146 HydrophobicContact CG2-CZ2 3.95Å; T132-T157 WeakPolarHBondContact CB-O 3.41Å
133	V	83	Confident	81.3	Confident	37 Å²	37	52.4 Å²	52.4	22%	0.224	26%	0.258	C	S	.	.	H	α-helix	trans	-62.7	-26.3	172.8	74.5	0	0	0	0	110.9	E135 A137 T157 M159 T206	V133-E135 VanDerWaalsContact C-N 3.31Å; V133-E135 PolarHBondContact O-N 3.31Å; V133-A137 HydrophobicContact CG2-CB 3.85Å; V133-A137 WeakPolarHBondContact O-CA 3.37Å; V133-A137 WeakPolarHBondContact O-CB 3.35Å; V133-A137 PolarHBondContact O-N 3.46Å; V133-T157 HydrophobicContact CB-CG2 4.48Å; V133-T157 HydrophobicContact CG1-CG2 3.4Å; V133-M159 HydrophobicContact CB-CB 4.46Å; V133-T206 HydrophobicContact CB-CG2 3.99Å; V133-T206 HydrophobicContact CG1-CG2 4.23Å
134	C	80	Confident	81	Confident	8 Å²	8	47.9 Å²	47.9	5%	0.054	24%	0.239	C	C	.	.	H	α-helix	trans	-57.8	-44	176.9	-56	0	0	0	0	111.6	T132 R138 C139 I142 W146	T132-C134 PolarHBondContact O-N 3.02Å; C134-R138 PolarHBondContact O-N 3.33Å; C134-C139 HydrophobicContact CB-CB 4.43Å; C134-C139 PolarHBondContact O-N 3.08Å; C134-I142 HydrophobicContact CB-CD1 3.98Å; C134-I142 HydrophobicContact CB-CG1 4.03Å; C134-W146 HydrophobicContact CB-CZ2 3.98Å
135	E	81	Confident	80.8	Confident	46 Å²	46	45.2 Å²	45.2	22%	0.215	23%	0.228	C	C	.	.	H	α-helix	trans	-78.7	-50.7	177.4	-68.8	179.4	127.8	0	0	111.6	Q122 T132 V133 A137 R138 I142 W146	Q122-E135 VanDerWaalsContact CG-OE1 3.28Å; Q122-E135 WeakPolarHBondContact CG-OE1 3.33Å; Q122-E135 PolarHBondContact NE2-OE1 3.16Å; T132-E135 PolarHBondContact O-N 2.84Å; T132-E135 WeakPolarHBondContact OG1-CG 3.28Å; T132-E135 PolarHBondContact OG1-N 3.49Å; T132-E135 PolarHBondContact OG1-OE2 2.97Å; V133-E135 VanDerWaalsContact C-N 3.31Å; V133-E135 PolarHBondContact O-N 3.31Å; E135-A137 PolarHBondContact O-N 3.09Å; E135-R138 PolarHBondContact O-N 3.02Å; E135-R138 VanDerWaalsContact O-N 3.17Å; E135-I142 HydrophobicContact CG-CD1 3.99Å; E135-W146 HydrophobicContact CG-CH2 4.33Å
136	E	82	Confident	80.2	Confident	43 Å²	43	45.6 Å²	45.6	20%	0.201	23%	0.229	C	C	.	.	H	α-helix	trans	-69.5	-32.6	-172.7	-60.1	-57.7	155	0	0	113.1	H131 T132 M159 D163 S173 V174	H131-E136 IonicContact ND1-OE1 3.98Å; T132-E136 WeakPolarHBondContact O-CG 3.39Å; T132-E136 PolarHBondContact O-N 3.41Å; T132-E136 VanDerWaalsContact O-N 3.08Å; E136-M159 HydrophobicContact CB-CE 3.83Å; E136-M159 HydrophobicContact CG-CE 3.53Å; E136-D163 HydrophobicContact CG-CB 4.31Å; E136-S173 PolarHBondContact O-OG 2.54Å; E136-V174 HydrophobicContact CB-CG2 4.26Å
137	A	77	Confident	79.5	Confident	24 Å²	24	40.5 Å²	40.5	20%	0.198	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	4.2	175.6	0	0	0	0	0	113.9	V133 E135 C139 S173	V133-A137 HydrophobicContact CG2-CB 3.85Å; V133-A137 WeakPolarHBondContact O-CA 3.37Å; V133-A137 WeakPolarHBondContact O-CB 3.35Å; V133-A137 PolarHBondContact O-N 3.46Å; E135-A137 PolarHBondContact O-N 3.09Å; A137-C139 PolarHBondContact O-N 2.97Å; A137-S173 WeakPolarHBondContact CA-OG 3.39Å
138	R	79	Confident	78.4	Confident	166 Å²	166	39.2 Å²	39.2	63%	0.626	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	54.4	179.4	-56.2	178.8	178.9	-159.8	-5.1	112.9	C134 E135	C134-R138 PolarHBondContact O-N 3.33Å; E135-R138 PolarHBondContact O-N 3.02Å; E135-R138 VanDerWaalsContact O-N 3.17Å
139	C	81.2	Confident	77.3	Confident	20 Å²	20	39.1 Å²	39.1	14%	0.135	22%	0.22	C	C	.	.			trans	-66.9	128.1	-176.5	-171.5	0	0	0	0	111.5	C134 A137 N141	C134-C139 HydrophobicContact CB-CB 4.43Å; C134-C139 PolarHBondContact O-N 3.08Å; A137-C139 PolarHBondContact O-N 2.97Å; C139-N141 PolarHBondContact O-N 2.86Å; C139-N141 PolarHBondContact SG-N 3.11Å
140	P	79	Confident	75.4	Confident	31 Å²	31	45.3 Å²	45.3	20%	0.201	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-19.9	175.8	28	-33.5	0	0	0	112.7	T110	T110-P140 HydrophobicContact CG2-CB 4.27Å
141	N	79.4	Confident	73.4	Confident	3 Å²	3	50.1 Å²	50.1	2%	0.016	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	11.8	-175.1	-50.9	-15	0	0	0	113.2	C139 S143 E144 C145 L386 Y391	C139-N141 PolarHBondContact O-N 2.86Å; C139-N141 PolarHBondContact SG-N 3.11Å; N141-S143 VanDerWaalsContact C-N 3.34Å; N141-S143 PolarHBondContact O-N 3.44Å; N141-E144 PolarHBondContact O-N 3.13Å; N141-C145 PolarHBondContact O-N 3.01Å; N141-L386 PolarHBondContact ND2-O 2.65Å; N141-Y391 HydrophobicContact CB-CD2 4.23Å; N141-Y391 HydrophobicContact CB-CE2 4.14Å; N141-Y391 VanDerWaalsContact ND2-CD2 3.33Å; N141-Y391 WeakPolarHBondContact ND2-CD2 3.5Å
142	I	77	Confident	71.9	Confident	16 Å²	16	50.2 Å²	50.2	8%	0.082	28%	0.28	C	S	.	.	H	α-helix	trans	-60.2	-40.8	-171.8	-169.5	170.4	0	0	0	112.8	P113 C134 E135 W146	P113-I142 HydrophobicContact CB-CG2 3.78Å; P113-I142 HydrophobicContact CG-CG2 3.73Å; C134-I142 HydrophobicContact CB-CD1 3.98Å; C134-I142 HydrophobicContact CB-CG1 4.03Å; E135-I142 HydrophobicContact CG-CD1 3.99Å; I142-W146 HydrophobicContact CD1-CH2 4.17Å; I142-W146 HydrophobicContact CD1-CZ2 4.14Å; I142-W146 HydrophobicContact CD1-CZ3 4.46Å; I142-W146 HydrophobicContact CG1-CD2 4.05Å; I142-W146 HydrophobicContact CG1-CE3 4.4Å; I142-W146 HydrophobicContact CG1-CG 4.47Å; I142-W146 HydrophobicContact CG1-CZ2 4.22Å; I142-W146 WeakPolarHBondContact O-CB 3.49Å; I142-W146 PolarHBondContact O-N 2.74Å
143	S	74.2	Confident	70.6	Confident	27 Å²	27	52.5 Å²	52.5	19%	0.189	30%	0.299	C	S	.	.	H	α-helix	trans	-62.6	-44.9	176.1	34.6	0	0	0	0	111.8	N141 T147	N141-S143 VanDerWaalsContact C-N 3.34Å; N141-S143 PolarHBondContact O-N 3.44Å; S143-T147 WeakPolarHBondContact O-CB 3.34Å; S143-T147 PolarHBondContact O-N 3.37Å; S143-T147 VanDerWaalsContact O-N 3.09Å; S143-T147 PolarHBondContact O-OG1 2.98Å
144	E	76.3	Confident	69.8	Low	70 Å²	70	51.6 Å²	51.6	33%	0.327	30%	0.295	S	S	.	.	H	α-helix	trans	-70.2	-43.8	-175.2	-167	-167.4	157.2	0	0	112.1	N141 Y391 R392	N141-E144 PolarHBondContact O-N 3.13Å; E144-Y391 VanDerWaalsContact CD-OH 3.3Å; E144-Y391 PolarHBondContact OE1-OH 3.4Å; E144-Y391 PolarHBondContact OE2-OH 3.11Å; E144-R392 IonicContact OE1-NH1 3.35Å; E144-R392 PolarHBondContact OE1-NH1 3.25Å
145	C	74	Confident	69.4	Low	10 Å²	10	51.3 Å²	51.3	7%	0.068	29%	0.293	C	S	.	.	H	α-helix	trans	-67.6	-37.6	179.9	-70.1	0	0	0	0	112.4	N141 T155	N141-C145 PolarHBondContact O-N 3.01Å; C145-T155 PolarHBondContact O-N 3.01Å
146	W	70.5	Confident	69.2	Low	11 Å²	11	49.7 Å²	49.7	4%	0.042	29%	0.287	C	S	.	.	H	α-helix	trans	-89.1	-10.6	-174.5	-68.4	15	0	0	0	113.6	V118 L121 Q122 L125 T132 C134 E135 I142	V118-W146 HydrophobicContact CB-CE3 4.39Å; V118-W146 HydrophobicContact CG1-CE3 3.88Å; V118-W146 HydrophobicContact CG1-CZ3 4.15Å; V118-W146 HydrophobicContact CG2-CB 4.36Å; L121-W146 HydrophobicContact CB-CE3 3.73Å; L121-W146 HydrophobicContact CB-CZ3 3.81Å; L121-W146 HydrophobicContact CD1-CB 3.84Å; L121-W146 HydrophobicContact CD1-CD2 4.09Å; L121-W146 HydrophobicContact CD1-CE3 3.87Å; L121-W146 HydrophobicContact CD1-CG 4.1Å; L121-W146 HydrophobicContact CG-CE3 4.47Å; Q122-W146 HydrophobicContact CG-CH2 4.19Å; Q122-W146 HydrophobicContact CG-CZ3 3.64Å; L125-W146 HydrophobicContact CD1-CH2 3.58Å; L125-W146 HydrophobicContact CD1-CZ2 4.16Å; L125-W146 HydrophobicContact CD1-CZ3 4.19Å; T132-W146 HydrophobicContact CG2-CH2 4.32Å; T132-W146 HydrophobicContact CG2-CZ2 3.95Å; C134-W146 HydrophobicContact CB-CZ2 3.98Å; E135-W146 HydrophobicContact CG-CH2 4.33Å; I142-W146 HydrophobicContact CD1-CH2 4.17Å; I142-W146 HydrophobicContact CD1-CZ2 4.14Å; I142-W146 HydrophobicContact CD1-CZ3 4.46Å; I142-W146 HydrophobicContact CG1-CD2 4.05Å; I142-W146 HydrophobicContact CG1-CE3 4.4Å; I142-W146 HydrophobicContact CG1-CG 4.47Å; I142-W146 HydrophobicContact CG1-CZ2 4.22Å; I142-W146 WeakPolarHBondContact O-CB 3.49Å; I142-W146 PolarHBondContact O-N 2.74Å
147	T	67.8	Low	69.5	Low	64 Å²	64	47.9 Å²	47.9	39%	0.393	28%	0.279	S	S	.	.	S	Bend	trans	-97.2	107.5	173	-53.5	0	0	0	0	108.2	S143 G149	S143-T147 WeakPolarHBondContact O-CB 3.34Å; S143-T147 PolarHBondContact O-N 3.37Å; S143-T147 VanDerWaalsContact O-N 3.09Å; S143-T147 PolarHBondContact O-OG1 2.98Å; T147-G149 PolarHBondContact O-N 3.08Å; T147-G149 VanDerWaalsContact O-N 3.13Å
148	A	61.1	Low	70.1	Confident	65 Å²	65	46.7 Å²	46.7	54%	0.537	27%	0.27	S	S	.	.			trans	-55.2	121.9	169.6	0	0	0	0	0	108.7	A154	A148-A154 HydrophobicContact CB-CB 4.15Å
149	G	57.9	Low	70.8	Confident	34 Å²	34	39 Å²	39	35%	0.351	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-78	167.3	173.2	0	0	0	0	0	110	T147 S151 T152	T147-G149 PolarHBondContact O-N 3.08Å; T147-G149 VanDerWaalsContact O-N 3.13Å; G149-S151 PolarHBondContact O-N 3.15Å; G149-T152 PolarHBondContact N-O 2.91Å; G149-T152 PolarHBondContact O-N 3.16Å
150	K	45.6	Very low	71.6	Confident	230 Å²	230	38.1 Å²	38.1	100%	1	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-21.6	176.4	-69.4	-177.7	179	177.9	0	113.9
151	S	43.7	Very low	72.4	Confident	107 Å²	107	36.9 Å²	36.9	75%	0.748	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-131.5	4.4	-174.5	53.9	0	0	0	0	114.1	G149	G149-S151 PolarHBondContact O-N 3.15Å
152	T	54.1	Low	73	Confident	41 Å²	41	37.7 Å²	37.7	25%	0.252	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-139.6	119.6	-169.3	40.7	0	0	0	0	110.3	F74 G149 R392	F74-T152 HydrophobicContact CE1-CG2 4.36Å; G149-T152 PolarHBondContact N-O 2.91Å; G149-T152 PolarHBondContact O-N 3.16Å; T152-R392 PolarHBondContact O-NH2 2.78Å; T152-R392 PolarHBondContact OG1-NH2 2.81Å
153	A	59.1	Low	73.8	Confident	50 Å²	50	38.2 Å²	38.2	41%	0.413	24%	0.238	S	C	.	.			trans	-55.5	150.5	176.3	0	0	0	0	0	110.7
154	A	66.3	Low	74.8	Confident	17 Å²	17	37.8 Å²	37.8	14%	0.14	24%	0.235	C	C	.	.			trans	-71.8	139.6	172.7	0	0	0	0	0	109.4	A148 V200	A148-A154 HydrophobicContact CB-CB 4.15Å; A154-V200 HydrophobicContact CB-CG1 4.29Å; A154-V200 WeakPolarHBondContact O-CG1 3.35Å
155	T	70.9	Confident	75.8	Confident	3 Å²	3	35 Å²	35	2%	0.018	22%	0.223	C	C	.	.			trans	-111.8	124.2	175.1	-40.4	0	0	0	0	108.5	C145 E395	C145-T155 PolarHBondContact O-N 3.01Å; T155-E395 WeakPolarHBondContact CB-OE1 3.33Å; T155-E395 WeakPolarHBondContact CG2-OE1 3.37Å; T155-E395 PolarHBondContact OG1-OE1 3.07Å; T155-E395 PolarHBondContact OG1-OE2 3.01Å
156	A	77.1	Confident	77	Confident	12 Å²	12	35 Å²	35	10%	0.099	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	142.5	167.7	0	0	0	0	0	110.1	W198 I203 V204	A156-W198 HydrophobicContact CB-CE3 3.9Å; A156-W198 HydrophobicContact CB-CH2 4.35Å; A156-W198 HydrophobicContact CB-CZ3 3.47Å; A156-W198 VanDerWaalsContact CB-CZ3 3.47Å; A156-I203 HydrophobicContact CB-CD1 3.7Å; A156-I203 VanDerWaalsContact O-CD1 3.29Å; A156-I203 WeakPolarHBondContact O-CD1 3.42Å; A156-V204 PolarHBondContact O-N 3.03Å
157	T	87.2	Confident	78.3	Confident	4 Å²	4	34.9 Å²	34.9	3%	0.025	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	111.1	166.9	-53.4	0	0	0	0	108.4	T132 V133 V204 T206 S390	T132-T157 WeakPolarHBondContact CB-O 3.41Å; V133-T157 HydrophobicContact CB-CG2 4.48Å; V133-T157 HydrophobicContact CG1-CG2 3.4Å; T157-V204 CarbonylContact C-O 3.52Å; T157-V204 VanDerWaalsContact CA-O 3.29Å; T157-V204 WeakPolarHBondContact CA-O 3.36Å; T157-V204 HydrophobicContact CG2-CB 3.87Å; T157-V204 HydrophobicContact CG2-CG1 3.75Å; T157-T206 HydrophobicContact CG2-CG2 3.96Å; T157-S390 WeakPolarHBondContact OG1-CB 3.45Å; T157-S390 PolarHBondContact OG1-OG 3.39Å
158	I	91	Very high	79.6	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	133.8	176.1	-63.5	172.4	0	0	0	108.1	I160 T191 I195 W198 I203 V204 I205 T206	I158-I160 HydrophobicContact CG2-CG2 4.03Å; I158-T191 HydrophobicContact CD1-CG2 3.95Å; I158-T191 HydrophobicContact CG2-CG2 4.26Å; I158-I195 HydrophobicContact CD1-CD1 3.77Å; I158-I195 HydrophobicContact CD1-CG1 3.63Å; I158-W198 HydrophobicContact CD1-CH2 3.7Å; I158-W198 HydrophobicContact CD1-CZ3 3.62Å; I158-W198 HydrophobicContact CG1-CH2 3.97Å; I158-W198 HydrophobicContact CG1-CZ3 3.97Å; I158-I203 HydrophobicContact CD1-CD1 4.21Å; I158-I203 HydrophobicContact CG1-CD1 4.34Å; I158-V204 PolarHBondContact N-O 2.77Å; I158-I205 HydrophobicContact CB-CD1 4.05Å; I158-I205 HydrophobicContact CD1-CD1 4.47Å; I158-T206 PolarHBondContact O-N 3.08Å
159	M	94.3	Very high	81.3	Confident	5 Å²	5	31.6 Å²	31.6	3%	0.025	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	111.4	171.1	-173.4	171.9	69	0	0	108.2	H131 V133 E136 G162 D163 V174 T206 V208	H131-M159 HydrophobicContact CB-CB 4.44Å; H131-M159 HydrophobicContact CB-CE 4.12Å; H131-M159 PolarHBondContact O-N 3.19Å; V133-M159 HydrophobicContact CB-CB 4.46Å; E136-M159 HydrophobicContact CB-CE 3.83Å; E136-M159 HydrophobicContact CG-CE 3.53Å; M159-G162 WeakPolarHBondContact CE-O 3.31Å; M159-D163 HydrophobicContact CE-CB 4.42Å; M159-V174 HydrophobicContact SD-CG2 4.27Å; M159-T206 CarbonylContact C-O 3.46Å; M159-T206 WeakPolarHBondContact CA-O 3.41Å; M159-T206 HydrophobicContact CB-CG2 3.99Å; M159-T206 HydrophobicContact CG-CG2 4.11Å; M159-V208 HydrophobicContact CE-CG1 4.37Å; M159-V208 HydrophobicContact CG-CG1 4.49Å; M159-V208 HydrophobicContact SD-CG1 3.91Å
160	I	96.3	Very high	83.1	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	168.4	175.3	57.6	166	0	0	0	110.7	I158 G162 E187 T191 I205 T206 S207 I221 T224	I158-I160 HydrophobicContact CG2-CG2 4.03Å; I160-G162 VanDerWaalsContact C-N 3.34Å; I160-E187 WeakPolarHBondContact CA-OE1 3.49Å; I160-E187 HydrophobicContact CB-CG 4.49Å; I160-E187 HydrophobicContact CG2-CG 4.32Å; I160-T191 HydrophobicContact CG2-CG2 4.45Å; I160-I205 HydrophobicContact CD1-CG2 3.77Å; I160-I205 HydrophobicContact CG1-CG2 3.88Å; I160-I205 HydrophobicContact CG2-CG2 4.24Å; I160-T206 VanDerWaalsContact CG1-O 3.26Å; I160-T206 WeakPolarHBondContact CG1-O 3.15Å; I160-T206 PolarHBondContact N-O 3.43Å; I160-S207 WeakPolarHBondContact O-CA 3.46Å; I160-S207 WeakPolarHBondContact O-CB 3.38Å; I160-I221 HydrophobicContact CD1-CB 4.31Å; I160-I221 HydrophobicContact CD1-CG1 3.76Å; I160-T224 HydrophobicContact CG2-CG2 4.39Å
161	M	96.3	Very high	85.5	Confident	5 Å²	5	27.4 Å²	27.4	3%	0.025	17%	0.172	C	C	.	.	S	Bend	trans	71.5	24.4	-178.4	-51	-161.7	-75.7	0	0	114.5	L183 E187 S207 V208 R210 G217 H220 I221	M161-L183 HydrophobicContact CB-CD2 3.49Å; M161-L183 VanDerWaalsContact CB-CD2 3.49Å; M161-L183 HydrophobicContact CG-CD2 3.52Å; M161-L183 HydrophobicContact SD-CD1 4.41Å; M161-L183 HydrophobicContact SD-CD2 3.92Å; M161-E187 WeakPolarHBondContact CA-OE2 3.42Å; M161-E187 VanDerWaalsContact N-CD 3.27Å; M161-E187 PolarHBondContact N-OE1 3.03Å; M161-E187 PolarHBondContact N-OE2 3.42Å; M161-S207 WeakPolarHBondContact CE-OG 3.29Å; M161-V208 HydrophobicContact CB-CG2 4.11Å; M161-V208 WeakPolarHBondContact CE-O 3.39Å; M161-V208 WeakPolarHBondContact O-CG2 3.46Å; M161-R210 HydrophobicContact CB-CG 4.03Å; M161-R210 HydrophobicContact CE-CG 3.96Å; M161-R210 HydrophobicContact SD-CG 3.81Å; M161-G217 VanDerWaalsContact SD-CA 3.55Å; M161-H220 HydrophobicContact SD-CB 4.18Å; M161-I221 HydrophobicContact CE-CD1 4.13Å; M161-I221 HydrophobicContact CE-CG1 4.26Å
162	G	93.2	Very high	87.9	Confident	21 Å²	21	24.3 Å²	24.3	22%	0.216	15%	0.15	C	C	.	.			trans	85.3	-170.2	177.3	0	0	0	0	0	114.9	M159 I160	M159-G162 WeakPolarHBondContact CE-O 3.31Å; I160-G162 VanDerWaalsContact C-N 3.34Å
163	D	93.3	Very high	89.8	Confident	26 Å²	26	23.6 Å²	23.6	14%	0.139	15%	0.146	C	C	.	.	S	Bend	trans	-105.1	5.8	-175.9	70.4	-5.4	0	0	0	114.3	E136 M159 V174 K175	E136-D163 HydrophobicContact CG-CB 4.31Å; M159-D163 HydrophobicContact CE-CB 4.42Å; D163-V174 VanDerWaalsContact O-CG1 3.22Å; D163-V174 WeakPolarHBondContact O-CG1 3.43Å; D163-K175 WeakPolarHBondContact O-CB 3.17Å; D163-K175 PolarHBondContact O-N 3.29Å; D163-K175 IonicContact OD2-NZ 2.67Å; D163-K175 PolarHBondContact OD2-NZ 3.21Å
164	T	95.7	Very high	91.5	Very high	18 Å²	18	22 Å²	22	11%	0.11	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	114.2	-170.3	-61	0	0	0	0	110.7	K175 S177 P180	T164-K175 CarbonylContact C-O 3.55Å; T164-K175 WeakPolarHBondContact CA-O 3.19Å; T164-K175 HydrophobicContact CG2-CB 4.5Å; T164-S177 VanDerWaalsContact CG2-CB 3.44Å; T164-P180 HydrophobicContact CG2-CB 4.15Å
165	C	97.1	Very high	92.8	Very high	11 Å²	11	26.5 Å²	26.5	7%	0.074	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	144	-175.7	-171.2	0	0	0	0	112.4	R167 V174 K175 T176 S177 V208 D209	C165-R167 PolarHBondContact O-N 2.9Å; C165-R167 PolarHBondContact SG-N 3.29Å; C165-V174 HydrophobicContact CB-CG1 4.06Å; C165-K175 PolarHBondContact N-O 3.16Å; C165-T176 VanDerWaalsContact O-CA 3.25Å; C165-T176 WeakPolarHBondContact O-CA 3.25Å; C165-S177 PolarHBondContact O-N 3.22Å; C165-V208 HydrophobicContact CB-CB 3.84Å; C165-V208 HydrophobicContact CB-CG1 4.07Å; C165-D209 PolarHBondContact SG-N 3.34Å
166	T	97.9	Very high	94	Very high	10 Å²	10	30.7 Å²	30.7	6%	0.061	17%	0.173	C	C	.	.	S	Bend	trans	-74	-8.5	171.9	60.5	0	0	0	0	113.1	S177 P180 D209 D211 D212 R280	T166-S177 WeakPolarHBondContact CA-O 3.22Å; T166-P180 HydrophobicContact CG2-CG 3.86Å; T166-D209 PolarHBondContact N-O 3.2Å; T166-D209 PolarHBondContact OG1-O 3.19Å; T166-D209 VanDerWaalsContact OG1-O 3.06Å; T166-D211 HydrophobicContact CG2-CB 4.47Å; T166-D211 WeakPolarHBondContact OG1-CB 3.39Å; T166-D211 VanDerWaalsContact OG1-CG 3.25Å; T166-D211 PolarHBondContact OG1-N 2.87Å; T166-D211 PolarHBondContact OG1-OD2 3.3Å; T166-D212 HydrophobicContact CG2-CB 4.47Å; T166-D212 WeakPolarHBondContact CG2-OD1 3.21Å; T166-R280 VanDerWaalsContact O-CZ 3.25Å; T166-R280 PolarHBondContact O-NH1 3.4Å; T166-R280 PolarHBondContact O-NH2 2.84Å
167	R	97.2	Very high	94.9	Very high	9 Å²	9	31.8 Å²	31.8	3%	0.034	18%	0.18	C	C	.	.			trans	-116.4	146.2	-175.8	-63	-165	-169.6	174.1	6.3	113.5	C165 T176 D209 D211 D243 D278	C165-R167 PolarHBondContact O-N 2.9Å; C165-R167 PolarHBondContact SG-N 3.29Å; R167-T176 WeakPolarHBondContact O-CG2 3.5Å; R167-D209 HydrophobicContact CB-CB 4.2Å; R167-D209 WeakPolarHBondContact CD-OD1 3.39Å; R167-D209 WeakPolarHBondContact CD-OD2 3.46Å; R167-D209 HydrophobicContact CG-CB 3.66Å; R167-D209 IonicContact CZ-OD1 2.76Å; R167-D209 IonicContact NE-OD1 3.55Å; R167-D209 PolarHBondContact NE-OD1 2.94Å; R167-D209 IonicContact NH1-OD1 2.81Å; R167-D209 PolarHBondContact NH1-OD1 3.25Å; R167-D209 IonicContact NH2-OD1 3.44Å; R167-D211 VanDerWaalsContact CG-OD2 3.25Å; R167-D211 WeakPolarHBondContact CG-OD2 3.42Å; R167-D211 IonicContact CZ-OD1 2.72Å; R167-D211 IonicContact NE-OD1 3.52Å; R167-D211 PolarHBondContact NE-OD1 2.79Å; R167-D211 IonicContact NE-OD2 2.88Å; R167-D211 PolarHBondContact NE-OD2 2.75Å; R167-D211 IonicContact NH2-OD1 3.74Å; R167-D211 PolarHBondContact NH2-OD1 3.48Å; R167-D243 IonicContact CZ-OD1 2.76Å; R167-D243 VanDerWaalsContact CZ-OD1 3.27Å; R167-D243 IonicContact CZ-OD2 2.69Å; R167-D243 IonicContact NH1-OD1 3.66Å; R167-D243 PolarHBondContact NH1-OD1 3.33Å; R167-D243 IonicContact NH1-OD2 3.05Å; R167-D243 PolarHBondContact NH1-OD2 3.29Å; R167-D243 IonicContact NH2-OD1 3.69Å; R167-D243 PolarHBondContact NH2-OD1 3.43Å; R167-D243 IonicContact NH2-OD2 3.38Å; R167-D278 WeakPolarHBondContact CA-OD2 3.44Å; R167-D278 HydrophobicContact CB-CB 3.84Å; R167-D278 HydrophobicContact CG-CB 4.3Å
168	G	95.4	Very high	95.2	Very high	38 Å²	38	36.5 Å²	36.5	39%	0.392	21%	0.211	S	C	.	.			trans	-110.8	57.7	-176.6	0	0	0	0	0	114.2	R170 D278	G168-R170 PolarHBondContact O-N 3.05Å; G168-D278 PolarHBondContact N-OD2 3.24Å
169	C	97.4	Very high	95.4	Very high	23 Å²	23	42.9 Å²	42.9	16%	0.155	25%	0.245	C	C	.	.			trans	-60.3	125.6	174	-69.9	0	0	0	0	111	F171 C172 D278	C169-F171 HydrophobicContact CB-CD1 3.91Å; C169-F171 HydrophobicContact CB-CE1 3.58Å; C169-F171 HydrophobicContact CB-CZ 4.19Å; C169-F171 PolarHBondContact O-N 3.17Å; C169-F171 VanDerWaalsContact O-N 3.16Å; C169-C172 HydrophobicContact CB-CB 4.05Å; C169-C172 PolarHBondContact O-N 3.18Å; C169-C172 VanDerWaalsContact O-N 3.08Å; C169-D278 PolarHBondContact SG-N 3.34Å; C169-D278 VanDerWaalsContact SG-N 3.4Å
170	R	96.5	Very high	95.5	Very high	147 Å²	147	43.4 Å²	43.4	56%	0.555	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-9.1	-168.2	-57.7	178.6	115.8	-176.8	3.6	114.3	G168 V275 V276 H354 L355	G168-R170 PolarHBondContact O-N 3.05Å; R170-V275 WeakPolarHBondContact CD-O 3.41Å; R170-V276 PolarHBondContact N-O 2.86Å; R170-H354 WeakPolarHBondContact O-CA 3.42Å; R170-H354 WeakPolarHBondContact O-CB 3.38Å; R170-L355 HydrophobicContact CB-CD1 3.93Å; R170-L355 HydrophobicContact CB-CD2 4.13Å; R170-L355 HydrophobicContact CB-CG 3.69Å; R170-L355 PolarHBondContact O-N 3.29Å; R170-L355 VanDerWaalsContact O-N 3.12Å
171	F	95.2	Very high	95.4	Very high	29 Å²	29	47.2 Å²	47.2	13%	0.127	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-18	172.3	72.3	-91.9	0	0	0	113.4	C169 E267 V276 R277 M317 Y347 P350	C169-F171 HydrophobicContact CB-CD1 3.91Å; C169-F171 HydrophobicContact CB-CE1 3.58Å; C169-F171 HydrophobicContact CB-CZ 4.19Å; C169-F171 PolarHBondContact O-N 3.17Å; C169-F171 VanDerWaalsContact O-N 3.16Å; F171-E267 HydrophobicContact CE1-CB 4.42Å; F171-E267 HydrophobicContact CE1-CG 4.13Å; F171-E267 HydrophobicContact CZ-CB 4.49Å; F171-E267 HydrophobicContact CZ-CG 3.87Å; F171-V276 HydrophobicContact CB-CG1 4.42Å; F171-V276 HydrophobicContact CD1-CG1 3.58Å; F171-V276 HydrophobicContact CE1-CG1 4.26Å; F171-V276 HydrophobicContact CG-CG1 4.34Å; F171-R277 HydrophobicContact CE1-CG 4.14Å; F171-M317 HydrophobicContact CB-CE 4.48Å; F171-M317 HydrophobicContact CD1-CE 4.15Å; F171-M317 HydrophobicContact CD2-CE 3.57Å; F171-M317 HydrophobicContact CD2-SD 4.01Å; F171-M317 HydrophobicContact CE1-CE 4.24Å; F171-M317 HydrophobicContact CE2-CE 3.68Å; F171-M317 HydrophobicContact CE2-SD 4.35Å; F171-M317 HydrophobicContact CG-CE 3.81Å; F171-M317 HydrophobicContact CZ-CE 4.02Å; F171-Y347 HydrophobicContact CB-CD2 4.23Å; F171-Y347 HydrophobicContact CB-CE2 3.65Å; F171-P350 VanDerWaalsContact O-CG 3.31Å; F171-P350 WeakPolarHBondContact O-CG 3.34Å
172	C	95	Very high	95.4	Very high	42 Å²	42	52.8 Å²	52.8	28%	0.284	31%	0.31	S	S	.	.			trans	-102.5	137.2	-167	-176.1	0	0	0	0	111.6	C169 V174 H354	C169-C172 HydrophobicContact CB-CB 4.05Å; C169-C172 PolarHBondContact O-N 3.18Å; C169-C172 VanDerWaalsContact O-N 3.08Å; C172-V174 VanDerWaalsContact SG-CG2 3.58Å; C172-H354 PolarHBondContact O-CD2 2.73Å; C172-H354 VanDerWaalsContact O-CD2 3.25Å; C172-H354 PolarHBondContact O-NE2 3.41Å
173	S	93.7	Very high	95.6	Very high	26 Å²	26	53.8 Å²	53.8	18%	0.182	31%	0.31	C	S	.	.			trans	-97.8	2.8	-179	64.8	0	0	0	0	115.8	E136 A137 H354	E136-S173 PolarHBondContact O-OG 2.54Å; A137-S173 WeakPolarHBondContact CA-OG 3.39Å; S173-H354 WeakPolarHBondContact CA-NE2 3.15Å
174	V	93.6	Very high	95.7	Very high	15 Å²	15	54.9 Å²	54.9	9%	0.091	32%	0.316	C	S	.	.	S	Bend	trans	-58.5	141.4	173.5	176.4	0	0	0	0	109.1	E136 M159 D163 C165 C172 V208	E136-V174 HydrophobicContact CB-CG2 4.26Å; M159-V174 HydrophobicContact SD-CG2 4.27Å; D163-V174 VanDerWaalsContact O-CG1 3.22Å; D163-V174 WeakPolarHBondContact O-CG1 3.43Å; C165-V174 HydrophobicContact CB-CG1 4.06Å; C172-V174 VanDerWaalsContact SG-CG2 3.58Å; V174-V208 HydrophobicContact CG1-CG1 3.76Å
175	K	94.5	Very high	95.6	Very high	113 Å²	113	58.2 Å²	58.2	49%	0.491	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	152.7	-178.2	-61.1	170.9	-169.6	161	0	109.6	D163 T164 C165	D163-K175 WeakPolarHBondContact O-CB 3.17Å; D163-K175 PolarHBondContact O-N 3.29Å; D163-K175 IonicContact OD2-NZ 2.67Å; D163-K175 PolarHBondContact OD2-NZ 3.21Å; T164-K175 CarbonylContact C-O 3.55Å; T164-K175 WeakPolarHBondContact CA-O 3.19Å; T164-K175 HydrophobicContact CG2-CB 4.5Å; C165-K175 PolarHBondContact N-O 3.16Å
176	T	95.8	Very high	95.5	Very high	90 Å²	90	62.1 Å²	62.1	55%	0.552	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	137	-179.2	62	0	0	0	0	111.4	C165 R167	C165-T176 VanDerWaalsContact O-CA 3.25Å; C165-T176 WeakPolarHBondContact O-CA 3.25Å; R167-T176 WeakPolarHBondContact O-CG2 3.5Å
177	S	96.4	Very high	95.5	Very high	35 Å²	35	62 Å²	62	25%	0.245	36%	0.357	C	S	.	.			trans	-153	137.3	173	179.8	0	0	0	0	109	T164 C165 T166 N179	T164-S177 VanDerWaalsContact CG2-CB 3.44Å; C165-S177 PolarHBondContact O-N 3.22Å; T166-S177 WeakPolarHBondContact CA-O 3.22Å; S177-N179 PolarHBondContact O-N 2.83Å; S177-N179 VanDerWaalsContact OG-C 3.29Å; S177-N179 PolarHBondContact OG-N 3.22Å; S177-N179 VanDerWaalsContact OG-N 3.07Å; S177-N179 PolarHBondContact OG-O 3.48Å
178	P	93.5	Very high	95.5	Very high	103 Å²	103	61.6 Å²	61.6	67%	0.669	36%	0.355	S	S	*	.	S	Bend	trans	-64.4	-21.4	168.7	28	-34	0	0	0	112.4
179	N	94.9	Very high	95.5	Very high	135 Å²	135	61.7 Å²	61.7	72%	0.722	35%	0.348	S	S	*	.	S	Bend	trans	-125.2	78.3	-180	-56.6	-53.6	0	0	0	109.2	S177	S177-N179 PolarHBondContact O-N 2.83Å; S177-N179 VanDerWaalsContact OG-C 3.29Å; S177-N179 PolarHBondContact OG-N 3.22Å; S177-N179 VanDerWaalsContact OG-N 3.07Å; S177-N179 PolarHBondContact OG-O 3.48Å
180	P	96.3	Very high	95.3	Very high	16 Å²	16	62.6 Å²	62.6	10%	0.104	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-68.6	162.7	174.1	30.8	-35.5	0	0	0	111	T164 T166	T164-P180 HydrophobicContact CG2-CB 4.15Å; T166-P180 HydrophobicContact CG2-CG 3.86Å
181	P	95.5	Very high	95.2	Very high	80 Å²	80	55.6 Å²	55.6	52%	0.519	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-55.4	154.2	171.6	-25.2	35.3	0	0	0	113	R210	P181-R210 PolarHBondContact O-NH1 3.31Å; P181-R210 VanDerWaalsContact O-NH1 3.14Å; P181-R210 PolarHBondContact O-NH2 2.76Å
182	P	95.8	Very high	95.2	Very high	121 Å²	121	54.2 Å²	54.2	79%	0.786	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-59.6	151.8	173.4	27.3	-34.6	0	0	0	110.6	D184	P182-D184 PolarHBondContact O-N 2.82Å
183	L	96.2	Very high	95.1	Very high	43 Å²	43	55.6 Å²	55.6	23%	0.225	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-62.3	135.5	173.2	-68.4	178.5	0	0	0	110.4	M161 P185 L213 H220	M161-L183 HydrophobicContact CB-CD2 3.49Å; M161-L183 VanDerWaalsContact CB-CD2 3.49Å; M161-L183 HydrophobicContact CG-CD2 3.52Å; M161-L183 HydrophobicContact SD-CD1 4.41Å; M161-L183 HydrophobicContact SD-CD2 3.92Å; L183-P185 WeakPolarHBondContact O-CD 3.37Å; L183-L213 HydrophobicContact CD1-CD1 3.34Å; L183-L213 HydrophobicContact CD2-CD1 4.48Å; L183-L213 HydrophobicContact CG-CD1 3.89Å; L183-H220 HydrophobicContact CD1-CB 4.03Å
184	D	95.3	Very high	94.9	Very high	49 Å²	49	54.4 Å²	54.4	26%	0.262	31%	0.314	S	S	.	.			trans	-71.9	114.6	169	174.5	-0.6	0	0	0	108.9	P182 D186 E187 H220	P182-D184 PolarHBondContact O-N 2.82Å; D184-D186 PolarHBondContact O-N 3.08Å; D184-D186 VanDerWaalsContact O-N 3.15Å; D184-D186 PolarHBondContact OD1-N 3.29Å; D184-E187 HydrophobicContact CB-CB 4.01Å; D184-E187 WeakPolarHBondContact O-CB 3.45Å; D184-E187 PolarHBondContact O-N 3.2Å; D184-H220 PolarHBondContact O-CE1 2.88Å; D184-H220 VanDerWaalsContact O-CE1 3.26Å
185	P	95.3	Very high	94.7	Very high	87 Å²	87	53.8 Å²	53.8	57%	0.565	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.4	-177.5	26.9	-35.2	0	0	0	114.1	L183 K223	L183-P185 WeakPolarHBondContact O-CD 3.37Å; P185-K223 PolarHBondContact O-NZ 3.19Å
186	D	95.1	Very high	94.5	Very high	93 Å²	93	50.8 Å²	50.8	50%	0.497	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-10.9	-178.5	-64.2	-37.4	0	0	0	113	D184 P188 V189 N190	D184-D186 PolarHBondContact O-N 3.08Å; D184-D186 VanDerWaalsContact O-N 3.15Å; D184-D186 PolarHBondContact OD1-N 3.29Å; D186-P188 VanDerWaalsContact C-CD 3.42Å; D186-P188 VanDerWaalsContact C-N 3.31Å; D186-P188 VanDerWaalsContact O-N 3.17Å; D186-V189 WeakPolarHBondContact O-CA 3.37Å; D186-V189 WeakPolarHBondContact O-CB 3.27Å; D186-V189 PolarHBondContact O-N 3.2Å; D186-N190 PolarHBondContact O-N 3.23Å
187	E	96.5	Very high	94	Very high	8 Å²	8	52.4 Å²	52.4	4%	0.037	30%	0.302	C	S	.	.	H	α-helix	trans	-48.5	-43	176.6	178	-178.6	-122.2	0	0	113.1	L130 I160 M161 D184 V189 N190 T191 H220	L130-E187 HydrophobicContact CD2-CG 4.33Å; I160-E187 WeakPolarHBondContact CA-OE1 3.49Å; I160-E187 HydrophobicContact CB-CG 4.49Å; I160-E187 HydrophobicContact CG2-CG 4.32Å; M161-E187 WeakPolarHBondContact CA-OE2 3.42Å; M161-E187 VanDerWaalsContact N-CD 3.27Å; M161-E187 PolarHBondContact N-OE1 3.03Å; M161-E187 PolarHBondContact N-OE2 3.42Å; D184-E187 HydrophobicContact CB-CB 4.01Å; D184-E187 WeakPolarHBondContact O-CB 3.45Å; D184-E187 PolarHBondContact O-N 3.2Å; E187-V189 VanDerWaalsContact C-N 3.32Å; E187-V189 PolarHBondContact O-N 3.45Å; E187-N190 PolarHBondContact O-N 2.87Å; E187-T191 WeakPolarHBondContact O-CB 3.18Å; E187-T191 PolarHBondContact O-N 2.9Å; E187-T191 PolarHBondContact O-OG1 2.7Å; E187-H220 IonicContact OE2-CD2 2.97Å; E187-H220 IonicContact OE2-CE1 2.98Å; E187-H220 IonicContact OE2-NE2 2.93Å; E187-H220 PolarHBondContact OE2-NE2 3.26Å
188	P	97	Very high	93.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.5	-36.3	177.3	-28.6	40.2	0	0	0	113.8	D186 A192 H220 K223 T224 Q227	D186-P188 VanDerWaalsContact C-CD 3.42Å; D186-P188 VanDerWaalsContact C-N 3.31Å; D186-P188 VanDerWaalsContact O-N 3.17Å; P188-A192 WeakPolarHBondContact O-CB 3.42Å; P188-A192 PolarHBondContact O-N 3.17Å; P188-H220 VanDerWaalsContact CD-CE1 3.46Å; P188-H220 WeakPolarHBondContact CD-CE1 3.45Å; P188-H220 WeakPolarHBondContact CD-NE2 3.42Å; P188-H220 VanDerWaalsContact CG-NE2 3.32Å; P188-H220 WeakPolarHBondContact CG-NE2 3.45Å; P188-K223 HydrophobicContact CB-CB 4.29Å; P188-K223 HydrophobicContact CB-CD 4.14Å; P188-K223 HydrophobicContact CB-CG 3.85Å; P188-K223 HydrophobicContact CG-CB 4.31Å; P188-K223 HydrophobicContact CG-CD 3.97Å; P188-K223 HydrophobicContact CG-CG 4.1Å; P188-T224 WeakPolarHBondContact CB-OG1 3.45Å; P188-Q227 HydrophobicContact CB-CG 4.33Å; P188-Q227 WeakPolarHBondContact O-CB 3.43Å
189	V	95.9	Very high	92.6	Very high	41 Å²	41	54 Å²	54	25%	0.248	30%	0.301	C	S	.	.	H	α-helix	trans	-75	-47.3	-179.4	175.6	0	0	0	0	109.5	D186 E187 T191 A192 E193 Q227	D186-V189 WeakPolarHBondContact O-CA 3.37Å; D186-V189 WeakPolarHBondContact O-CB 3.27Å; D186-V189 PolarHBondContact O-N 3.2Å; E187-V189 VanDerWaalsContact C-N 3.32Å; E187-V189 PolarHBondContact O-N 3.45Å; V189-T191 VanDerWaalsContact C-N 3.35Å; V189-T191 PolarHBondContact O-N 3.07Å; V189-A192 PolarHBondContact O-N 3.42Å; V189-E193 PolarHBondContact O-N 2.91Å; V189-Q227 HydrophobicContact CG2-CG 4.41Å
190	N	93.9	Very high	91.9	Very high	41 Å²	41	48 Å²	48	22%	0.219	27%	0.269	C	S	.	.	H	α-helix	trans	-62.6	-41.2	178.1	-66.2	-19.5	0	0	0	111.5	D186 E187 E193 A194	D186-N190 PolarHBondContact O-N 3.23Å; E187-N190 PolarHBondContact O-N 2.87Å; N190-E193 PolarHBondContact O-N 2.73Å; N190-A194 WeakPolarHBondContact O-CB 3.35Å; N190-A194 PolarHBondContact O-N 3.37Å
191	T	94.5	Very high	91.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59	-48.5	174.5	-63.9	0	0	0	0	110.9	L130 I158 I160 E187 V189 E193 A194 I195 I205 T224 I228	L130-T191 VanDerWaalsContact CD2-OG1 3.28Å; L130-T191 WeakPolarHBondContact CD2-OG1 3.49Å; I158-T191 HydrophobicContact CD1-CG2 3.95Å; I158-T191 HydrophobicContact CG2-CG2 4.26Å; I160-T191 HydrophobicContact CG2-CG2 4.45Å; E187-T191 WeakPolarHBondContact O-CB 3.18Å; E187-T191 PolarHBondContact O-N 2.9Å; E187-T191 PolarHBondContact O-OG1 2.7Å; V189-T191 VanDerWaalsContact C-N 3.35Å; V189-T191 PolarHBondContact O-N 3.07Å; T191-E193 PolarHBondContact O-N 3.17Å; T191-A194 WeakPolarHBondContact O-CB 3.5Å; T191-A194 PolarHBondContact O-N 2.67Å; T191-I195 HydrophobicContact CG2-CD1 3.7Å; T191-I195 WeakPolarHBondContact O-CD1 3.26Å; T191-I195 VanDerWaalsContact O-CG1 3.29Å; T191-I195 WeakPolarHBondContact O-CG1 3.34Å; T191-I195 PolarHBondContact O-N 2.52Å; T191-I205 HydrophobicContact CG2-CD1 4.22Å; T191-T224 HydrophobicContact CG2-CG2 3.68Å; T191-I228 HydrophobicContact CG2-CD1 4.31Å
192	A	94.5	Very high	90.9	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.008	26%	0.258	C	S	.	.	H	α-helix	trans	-66	-37.6	179.5	0	0	0	0	0	112.7	P188 V189 S196 Q227 I228	P188-A192 WeakPolarHBondContact O-CB 3.42Å; P188-A192 PolarHBondContact O-N 3.17Å; V189-A192 PolarHBondContact O-N 3.42Å; A192-S196 WeakPolarHBondContact O-CB 3.48Å; A192-S196 PolarHBondContact O-N 2.98Å; A192-S196 PolarHBondContact O-OG 3.16Å; A192-Q227 HydrophobicContact CB-CB 3.65Å; A192-Q227 WeakPolarHBondContact CB-O 3.44Å; A192-I228 HydrophobicContact CB-CG1 3.97Å
193	E	92.4	Very high	90.6	Very high	70 Å²	70	41.1 Å²	41.1	33%	0.327	22%	0.22	S	C	.	.	H	α-helix	trans	-64.2	-44.1	174.2	-175.1	-178.9	166.1	0	0	111.5	V189 N190 T191 S196 K197	V189-E193 PolarHBondContact O-N 2.91Å; N190-E193 PolarHBondContact O-N 2.73Å; T191-E193 PolarHBondContact O-N 3.17Å; E193-S196 PolarHBondContact O-N 3.43Å; E193-S196 PolarHBondContact O-OG 3.04Å; E193-K197 WeakPolarHBondContact O-CG 3.48Å; E193-K197 PolarHBondContact O-N 3.18Å; E193-K197 WeakPolarHBondContact OE1-CE 3.37Å; E193-K197 IonicContact OE1-NZ 3.67Å; E193-K197 PolarHBondContact OE1-NZ 3.39Å
194	A	89.5	Confident	90.5	Very high	2 Å²	2	39.1 Å²	39.1	2%	0.017	21%	0.21	C	C	.	.	H	α-helix	trans	-56.7	-53.3	175.8	0	0	0	0	0	111.1	L128 L130 N190 T191 S196 K197 W198	L128-A194 HydrophobicContact CD1-CB 3.43Å; L128-A194 VanDerWaalsContact CD1-CB 3.43Å; L130-A194 HydrophobicContact CD1-CB 3.58Å; N190-A194 WeakPolarHBondContact O-CB 3.35Å; N190-A194 PolarHBondContact O-N 3.37Å; T191-A194 WeakPolarHBondContact O-CB 3.5Å; T191-A194 PolarHBondContact O-N 2.67Å; A194-S196 VanDerWaalsContact C-N 3.31Å; A194-S196 PolarHBondContact O-N 2.79Å; A194-K197 WeakPolarHBondContact O-CB 3.36Å; A194-K197 PolarHBondContact O-N 3.02Å; A194-K197 VanDerWaalsContact O-N 3.09Å; A194-W198 HydrophobicContact CB-CZ2 4.2Å; A194-W198 PolarHBondContact O-N 2.94Å
195	I	89.6	Confident	90.4	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-62.7	-37.8	-178.1	-66.7	160.8	0	0	0	111.2	I158 T191 K197 W198 V200 I203 I205 I228 I235	I158-I195 HydrophobicContact CD1-CD1 3.77Å; I158-I195 HydrophobicContact CD1-CG1 3.63Å; T191-I195 HydrophobicContact CG2-CD1 3.7Å; T191-I195 WeakPolarHBondContact O-CD1 3.26Å; T191-I195 VanDerWaalsContact O-CG1 3.29Å; T191-I195 WeakPolarHBondContact O-CG1 3.34Å; T191-I195 PolarHBondContact O-N 2.52Å; I195-K197 PolarHBondContact O-N 2.74Å; I195-W198 HydrophobicContact CG1-CE3 4.28Å; I195-W198 HydrophobicContact CG1-CZ3 4.26Å; I195-W198 PolarHBondContact O-N 3.05Å; I195-V200 HydrophobicContact CG2-CG2 4.43Å; I195-I203 HydrophobicContact CD1-CD1 4.31Å; I195-I203 HydrophobicContact CD1-CG1 3.82Å; I195-I203 HydrophobicContact CD1-CG2 4.45Å; I195-I203 HydrophobicContact CG1-CD1 4.08Å; I195-I203 HydrophobicContact CG1-CG1 4.11Å; I195-I205 HydrophobicContact CD1-CD1 4.06Å; I195-I228 HydrophobicContact CD1-CD1 3.4Å; I195-I228 HydrophobicContact CD1-CG1 3.62Å; I195-I228 HydrophobicContact CG2-CG2 4.43Å; I195-I235 HydrophobicContact CG2-CD1 3.34Å
196	S	89.5	Confident	90.5	Very high	51 Å²	51	33.4 Å²	33.4	36%	0.357	18%	0.175	S	C	.	.	H	α-helix	trans	-64.2	-24.8	177.8	69.3	0	0	0	0	113.6	A192 E193 A194 W198	A192-S196 WeakPolarHBondContact O-CB 3.48Å; A192-S196 PolarHBondContact O-N 2.98Å; A192-S196 PolarHBondContact O-OG 3.16Å; E193-S196 PolarHBondContact O-N 3.43Å; E193-S196 PolarHBondContact O-OG 3.04Å; A194-S196 VanDerWaalsContact C-N 3.31Å; A194-S196 PolarHBondContact O-N 2.79Å; S196-W198 VanDerWaalsContact C-N 3.34Å
197	K	86.1	Confident	90.5	Very high	124 Å²	124	29.8 Å²	29.8	54%	0.539	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-9.6	176.1	-66.4	171.8	-174.2	171.3	0	112.4	E193 A194 I195	E193-K197 WeakPolarHBondContact O-CG 3.48Å; E193-K197 PolarHBondContact O-N 3.18Å; E193-K197 WeakPolarHBondContact OE1-CE 3.37Å; E193-K197 IonicContact OE1-NZ 3.67Å; E193-K197 PolarHBondContact OE1-NZ 3.39Å; A194-K197 WeakPolarHBondContact O-CB 3.36Å; A194-K197 PolarHBondContact O-N 3.02Å; A194-K197 VanDerWaalsContact O-N 3.09Å; I195-K197 PolarHBondContact O-N 2.74Å
198	W	83.2	Confident	90.5	Very high	19 Å²	19	29.7 Å²	29.7	7%	0.072	16%	0.157	C	C	.	.	S	Bend	trans	-95.4	138.9	179	-61.2	-14.6	0	0	0	111.2	L121 L125 A156 I158 A194 I195 S196 V200 I203 K232	L121-W198 HydrophobicContact CD2-CD2 4.49Å; L121-W198 HydrophobicContact CD2-CZ2 4.42Å; L125-W198 HydrophobicContact CD2-CH2 3.66Å; L125-W198 HydrophobicContact CD2-CZ2 3.88Å; L125-W198 HydrophobicContact CG-CH2 4.32Å; L125-W198 HydrophobicContact CG-CZ2 4.16Å; A156-W198 HydrophobicContact CB-CE3 3.9Å; A156-W198 HydrophobicContact CB-CH2 4.35Å; A156-W198 HydrophobicContact CB-CZ3 3.47Å; A156-W198 VanDerWaalsContact CB-CZ3 3.47Å; I158-W198 HydrophobicContact CD1-CH2 3.7Å; I158-W198 HydrophobicContact CD1-CZ3 3.62Å; I158-W198 HydrophobicContact CG1-CH2 3.97Å; I158-W198 HydrophobicContact CG1-CZ3 3.97Å; A194-W198 HydrophobicContact CB-CZ2 4.2Å; A194-W198 PolarHBondContact O-N 2.94Å; I195-W198 HydrophobicContact CG1-CE3 4.28Å; I195-W198 HydrophobicContact CG1-CZ3 4.26Å; I195-W198 PolarHBondContact O-N 3.05Å; S196-W198 VanDerWaalsContact C-N 3.34Å; W198-V200 HydrophobicContact CB-CG1 4.19Å; W198-V200 HydrophobicContact CB-CG2 4Å; W198-V200 PolarHBondContact O-N 3.27Å; W198-I203 HydrophobicContact CE3-CD1 4.41Å; W198-I203 HydrophobicContact CZ3-CD1 4.1Å; W198-K232 PolarHBondContact O-NZ 3.22Å; W198-K232 VanDerWaalsContact O-NZ 3.1Å
199	D	77.9	Confident	90.6	Very high	153 Å²	153	31 Å²	31	82%	0.818	16%	0.164	S	C	*	.			trans	-83	64.7	175.1	-167.5	27.8	0	0	0	110.6
200	V	79.8	Confident	90.7	Very high	7 Å²	7	29.3 Å²	29.3	4%	0.042	15%	0.153	C	C	.	.			trans	-125.8	130.9	-179.6	-58.7	0	0	0	0	111	A154 I195 W198 K232 I235	A154-V200 HydrophobicContact CB-CG1 4.29Å; A154-V200 WeakPolarHBondContact O-CG1 3.35Å; I195-V200 HydrophobicContact CG2-CG2 4.43Å; W198-V200 HydrophobicContact CB-CG1 4.19Å; W198-V200 HydrophobicContact CB-CG2 4Å; W198-V200 PolarHBondContact O-N 3.27Å; V200-K232 WeakPolarHBondContact O-CE 3.18Å; V200-K232 PolarHBondContact O-NZ 2.82Å; V200-I235 HydrophobicContact CG2-CD1 4.2Å
201	D	82.7	Confident	90.8	Very high	67 Å²	67	28.8 Å²	28.8	36%	0.358	15%	0.15	S	C	.	.	S	Bend	trans	-87.7	-13.4	174.8	-79.1	-10.7	0	0	0	112.7	I235 I236 K399	D201-I235 WeakPolarHBondContact O-CG1 3.41Å; D201-I236 PolarHBondContact O-N 2.76Å; D201-K399 IonicContact OD2-NZ 2.73Å; D201-K399 PolarHBondContact OD2-NZ 3.48Å
202	Y	87.7	Confident	90.9	Very high	7 Å²	7	32.2 Å²	32.2	3%	0.027	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	130.8	-173.5	-162.9	-75.4	0	0	0	109.5	V204 I236 E238 E395 I398	Y202-V204 HydrophobicContact CD1-CG2 4.31Å; Y202-V204 HydrophobicContact CE1-CG2 3.8Å; Y202-I236 WeakPolarHBondContact CA-O 3.19Å; Y202-I236 HydrophobicContact CD2-CB 3.68Å; Y202-I236 HydrophobicContact CD2-CD1 4.31Å; Y202-I236 HydrophobicContact CD2-CG2 3.41Å; Y202-I236 VanDerWaalsContact CD2-CG2 3.41Å; Y202-I236 HydrophobicContact CE2-CB 4.12Å; Y202-I236 HydrophobicContact CE2-CG2 3.3Å; Y202-I236 HydrophobicContact CG-CB 4.33Å; Y202-I236 HydrophobicContact CG-CG2 4.29Å; Y202-E238 HydrophobicContact CE1-CB 3.76Å; Y202-E238 WeakPolarHBondContact OH-CB 3.41Å; Y202-E238 PolarHBondContact OH-OE2 3.03Å; Y202-E395 HydrophobicContact CD1-CG 3.63Å; Y202-E395 HydrophobicContact CD2-CB 4.02Å; Y202-E395 HydrophobicContact CD2-CG 3.84Å; Y202-E395 HydrophobicContact CE1-CG 3.82Å; Y202-E395 HydrophobicContact CE2-CB 4.31Å; Y202-E395 HydrophobicContact CE2-CG 4.01Å; Y202-E395 HydrophobicContact CG-CB 4.18Å; Y202-E395 HydrophobicContact CG-CG 3.64Å; Y202-I398 HydrophobicContact CE2-CB 4.47Å; Y202-I398 HydrophobicContact CE2-CG2 4.01Å
203	I	90.4	Very high	91	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.8	175.2	-169.4	74.1	0	0	0	110.4	A156 I158 I195 W198 I205 I235 I236 V237 E238	A156-I203 HydrophobicContact CB-CD1 3.7Å; A156-I203 VanDerWaalsContact O-CD1 3.29Å; A156-I203 WeakPolarHBondContact O-CD1 3.42Å; I158-I203 HydrophobicContact CD1-CD1 4.21Å; I158-I203 HydrophobicContact CG1-CD1 4.34Å; I195-I203 HydrophobicContact CD1-CD1 4.31Å; I195-I203 HydrophobicContact CD1-CG1 3.82Å; I195-I203 HydrophobicContact CD1-CG2 4.45Å; I195-I203 HydrophobicContact CG1-CD1 4.08Å; I195-I203 HydrophobicContact CG1-CG1 4.11Å; W198-I203 HydrophobicContact CE3-CD1 4.41Å; W198-I203 HydrophobicContact CZ3-CD1 4.1Å; I203-I205 HydrophobicContact CG1-CD1 3.82Å; I203-I235 HydrophobicContact CB-CD1 3.86Å; I203-I235 HydrophobicContact CG2-CD1 3.61Å; I203-I235 HydrophobicContact CG2-CG1 4.27Å; I203-I236 PolarHBondContact N-O 2.91Å; I203-V237 HydrophobicContact CG2-CB 4.45Å; I203-V237 HydrophobicContact CG2-CG1 4.38Å; I203-V237 HydrophobicContact CG2-CG2 4.04Å; I203-E238 PolarHBondContact O-N 2.97Å
204	V	92.8	Very high	91.2	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	123.9	167.2	-175.4	0	0	0	0	108.6	A156 T157 I158 Y202 E238 L240	A156-V204 PolarHBondContact O-N 3.03Å; T157-V204 CarbonylContact C-O 3.52Å; T157-V204 VanDerWaalsContact CA-O 3.29Å; T157-V204 WeakPolarHBondContact CA-O 3.36Å; T157-V204 HydrophobicContact CG2-CB 3.87Å; T157-V204 HydrophobicContact CG2-CG1 3.75Å; I158-V204 PolarHBondContact N-O 2.77Å; Y202-V204 HydrophobicContact CD1-CG2 4.31Å; Y202-V204 HydrophobicContact CE1-CG2 3.8Å; V204-E238 CarbonylContact C-O 3.58Å; V204-E238 WeakPolarHBondContact CA-O 3.25Å; V204-E238 HydrophobicContact CG1-CG 4.29Å; V204-E238 HydrophobicContact CG2-CB 4.17Å; V204-E238 HydrophobicContact CG2-CG 4.37Å; V204-L240 HydrophobicContact CG1-CB 4.43Å
205	I	94.7	Very high	91.6	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125	169.2	-54.9	-58.2	0	0	0	107.8	I158 I160 T191 I195 I203 I228 V237 E238 C239 L240	I158-I205 HydrophobicContact CB-CD1 4.05Å; I158-I205 HydrophobicContact CD1-CD1 4.47Å; I160-I205 HydrophobicContact CD1-CG2 3.77Å; I160-I205 HydrophobicContact CG1-CG2 3.88Å; I160-I205 HydrophobicContact CG2-CG2 4.24Å; T191-I205 HydrophobicContact CG2-CD1 4.22Å; I195-I205 HydrophobicContact CD1-CD1 4.06Å; I203-I205 HydrophobicContact CG1-CD1 3.82Å; I205-I228 HydrophobicContact CD1-CD1 3.86Å; I205-I228 HydrophobicContact CG1-CD1 3.95Å; I205-V237 HydrophobicContact CG1-CG1 4.24Å; I205-E238 PolarHBondContact N-O 3.37Å; I205-C239 CarbonylContact O-C 3.54Å; I205-C239 WeakPolarHBondContact O-CA 3.5Å; I205-L240 PolarHBondContact O-N 2.96Å
206	T	95.7	Very high	91.9	Very high	15 Å²	15	37 Å²	37	9%	0.092	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	172.8	171.6	-164.2	0	0	0	0	110.5	V133 T157 I158 M159 I160 L240	V133-T206 HydrophobicContact CB-CG2 3.99Å; V133-T206 HydrophobicContact CG1-CG2 4.23Å; T157-T206 HydrophobicContact CG2-CG2 3.96Å; I158-T206 PolarHBondContact O-N 3.08Å; M159-T206 CarbonylContact C-O 3.46Å; M159-T206 WeakPolarHBondContact CA-O 3.41Å; M159-T206 HydrophobicContact CB-CG2 3.99Å; M159-T206 HydrophobicContact CG-CG2 4.11Å; I160-T206 VanDerWaalsContact CG1-O 3.26Å; I160-T206 WeakPolarHBondContact CG1-O 3.15Å; I160-T206 PolarHBondContact N-O 3.43Å; T206-L240 VanDerWaalsContact CA-O 3.28Å; T206-L240 WeakPolarHBondContact CA-O 3.47Å; T206-L240 WeakPolarHBondContact CB-O 3.29Å; T206-L240 PolarHBondContact OG1-O 2.99Å
207	S	96.6	Very high	92.3	Very high	16 Å²	16	34.7 Å²	34.7	11%	0.112	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	162.6	177.9	76.2	0	0	0	0	111.8	I160 M161 P242	I160-S207 WeakPolarHBondContact O-CA 3.46Å; I160-S207 WeakPolarHBondContact O-CB 3.38Å; M161-S207 WeakPolarHBondContact CE-OG 3.29Å; S207-P242 VanDerWaalsContact OG-CD 3.24Å; S207-P242 WeakPolarHBondContact OG-CD 3.21Å; S207-P242 VanDerWaalsContact OG-CG 3.32Å; S207-P242 WeakPolarHBondContact OG-CG 3.45Å
208	V	96.8	Very high	92.9	Very high	6 Å²	6	28.8 Å²	28.8	4%	0.036	18%	0.177	C	C	.	.			trans	-71.2	162.7	162.3	-60.4	0	0	0	0	111.1	M159 M161 C165 V174 R210	M159-V208 HydrophobicContact CE-CG1 4.37Å; M159-V208 HydrophobicContact CG-CG1 4.49Å; M159-V208 HydrophobicContact SD-CG1 3.91Å; M161-V208 HydrophobicContact CB-CG2 4.11Å; M161-V208 WeakPolarHBondContact CE-O 3.39Å; M161-V208 WeakPolarHBondContact O-CG2 3.46Å; C165-V208 HydrophobicContact CB-CB 3.84Å; C165-V208 HydrophobicContact CB-CG1 4.07Å; V174-V208 HydrophobicContact CG1-CG1 3.76Å; V208-R210 HydrophobicContact CG2-CG 4.17Å
209	D	98	Very high	93.6	Very high	27 Å²	27	35.8 Å²	35.8	14%	0.144	20%	0.204	C	C	.	.			trans	-71.7	134	164.9	-64.1	-91.3	0	0	0	109.7	C165 T166 R167	C165-D209 PolarHBondContact SG-N 3.34Å; T166-D209 PolarHBondContact N-O 3.2Å; T166-D209 PolarHBondContact OG1-O 3.19Å; T166-D209 VanDerWaalsContact OG1-O 3.06Å; R167-D209 HydrophobicContact CB-CB 4.2Å; R167-D209 WeakPolarHBondContact CD-OD1 3.39Å; R167-D209 WeakPolarHBondContact CD-OD2 3.46Å; R167-D209 HydrophobicContact CG-CB 3.66Å; R167-D209 IonicContact CZ-OD1 2.76Å; R167-D209 IonicContact NE-OD1 3.55Å; R167-D209 PolarHBondContact NE-OD1 2.94Å; R167-D209 IonicContact NH1-OD1 2.81Å; R167-D209 PolarHBondContact NH1-OD1 3.25Å; R167-D209 IonicContact NH2-OD1 3.44Å
210	R	97.9	Very high	94.6	Very high	6 Å²	6	29.4 Å²	29.4	2%	0.023	17%	0.169	C	C	.	.			trans	-121.5	61.7	178.3	-68.6	-60.2	-58.4	-107.6	2	110.9	M161 P181 V208 D212 L213 G216	M161-R210 HydrophobicContact CB-CG 4.03Å; M161-R210 HydrophobicContact CE-CG 3.96Å; M161-R210 HydrophobicContact SD-CG 3.81Å; P181-R210 PolarHBondContact O-NH1 3.31Å; P181-R210 VanDerWaalsContact O-NH1 3.14Å; P181-R210 PolarHBondContact O-NH2 2.76Å; V208-R210 HydrophobicContact CG2-CG 4.17Å; R210-D212 VanDerWaalsContact C-OD1 3.28Å; R210-D212 VanDerWaalsContact CA-OD1 3.31Å; R210-D212 WeakPolarHBondContact CA-OD1 3.44Å; R210-D212 IonicContact CZ-OD1 3.82Å; R210-D212 IonicContact CZ-OD2 3.24Å; R210-D212 IonicContact NE-OD1 3.51Å; R210-D212 PolarHBondContact NE-OD1 2.87Å; R210-D212 IonicContact NE-OD2 2.94Å; R210-D212 PolarHBondContact NE-OD2 2.96Å; R210-D212 IonicContact NH2-OD1 2.82Å; R210-D212 IonicContact NH2-OD2 2.64Å; R210-D212 PolarHBondContact NH2-OD2 2.92Å; R210-D212 PolarHBondContact O-N 2.82Å; R210-D212 VanDerWaalsContact O-N 3.07Å; R210-L213 HydrophobicContact CB-CB 4.44Å; R210-L213 HydrophobicContact CB-CD1 3.79Å; R210-L213 HydrophobicContact CB-CG 4.07Å; R210-L213 HydrophobicContact CG-CD1 4.21Å; R210-L213 PolarHBondContact O-N 2.9Å; R210-G216 WeakPolarHBondContact O-CA 3.09Å
211	D	97.1	Very high	95.5	Very high	31 Å²	31	29.1 Å²	29.1	17%	0.166	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-10.7	180	-60.2	-51.5	0	0	0	112.9	T166 R167 L213 R245 R280	T166-D211 HydrophobicContact CG2-CB 4.47Å; T166-D211 WeakPolarHBondContact OG1-CB 3.39Å; T166-D211 VanDerWaalsContact OG1-CG 3.25Å; T166-D211 PolarHBondContact OG1-N 2.87Å; T166-D211 PolarHBondContact OG1-OD2 3.3Å; R167-D211 VanDerWaalsContact CG-OD2 3.25Å; R167-D211 WeakPolarHBondContact CG-OD2 3.42Å; R167-D211 IonicContact CZ-OD1 2.72Å; R167-D211 IonicContact NE-OD1 3.52Å; R167-D211 PolarHBondContact NE-OD1 2.79Å; R167-D211 IonicContact NE-OD2 2.88Å; R167-D211 PolarHBondContact NE-OD2 2.75Å; R167-D211 IonicContact NH2-OD1 3.74Å; R167-D211 PolarHBondContact NH2-OD1 3.48Å; D211-L213 VanDerWaalsContact C-N 3.29Å; D211-R245 WeakPolarHBondContact OD1-CD 3.47Å; D211-R245 WeakPolarHBondContact OD1-CG 3.49Å; D211-R280 IonicContact OD2-CZ 3.41Å; D211-R280 IonicContact OD2-NE 2.75Å; D211-R280 IonicContact OD2-NH1 3.47Å; D211-R280 PolarHBondContact OD2-NH1 2.82Å
212	D	96.5	Very high	96.3	Very high	72 Å²	72	26 Å²	26	39%	0.385	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-17	171.2	64.2	-62.9	0	0	0	113.3	T166 R210	T166-D212 HydrophobicContact CG2-CB 4.47Å; T166-D212 WeakPolarHBondContact CG2-OD1 3.21Å; R210-D212 VanDerWaalsContact C-OD1 3.28Å; R210-D212 VanDerWaalsContact CA-OD1 3.31Å; R210-D212 WeakPolarHBondContact CA-OD1 3.44Å; R210-D212 IonicContact CZ-OD1 3.82Å; R210-D212 IonicContact CZ-OD2 3.24Å; R210-D212 IonicContact NE-OD1 3.51Å; R210-D212 PolarHBondContact NE-OD1 2.87Å; R210-D212 IonicContact NE-OD2 2.94Å; R210-D212 PolarHBondContact NE-OD2 2.96Å; R210-D212 IonicContact NH2-OD1 2.82Å; R210-D212 IonicContact NH2-OD2 2.64Å; R210-D212 PolarHBondContact NH2-OD2 2.92Å; R210-D212 PolarHBondContact O-N 2.82Å; R210-D212 VanDerWaalsContact O-N 3.07Å
213	L	96.9	Very high	96.8	Very high	50 Å²	50	30 Å²	30	26%	0.262	17%	0.168	S	C	.	.	S	Bend	trans	-101.7	139.7	178.5	-56.9	177.5	0	0	0	111.2	L183 R210 D211 D215 G216	L183-L213 HydrophobicContact CD1-CD1 3.34Å; L183-L213 HydrophobicContact CD2-CD1 4.48Å; L183-L213 HydrophobicContact CG-CD1 3.89Å; R210-L213 HydrophobicContact CB-CB 4.44Å; R210-L213 HydrophobicContact CB-CD1 3.79Å; R210-L213 HydrophobicContact CB-CG 4.07Å; R210-L213 HydrophobicContact CG-CD1 4.21Å; R210-L213 PolarHBondContact O-N 2.9Å; D211-L213 VanDerWaalsContact C-N 3.29Å; L213-D215 VanDerWaalsContact C-N 3.25Å; L213-D215 PolarHBondContact O-N 3.04Å; L213-G216 PolarHBondContact O-N 3.03Å
214	G	95.5	Very high	97.1	Very high	89 Å²	89	30 Å²	30	92%	0.918	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-27.3	-177.6	0	0	0	0	0	115.2
215	D	97.4	Very high	97.4	Very high	25 Å²	25	29.9 Å²	29.9	13%	0.134	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	11.6	175.9	70.1	-21.5	0	0	0	112.9	L213 G217 A218 R219 S250	L213-D215 VanDerWaalsContact C-N 3.25Å; L213-D215 PolarHBondContact O-N 3.04Å; D215-G217 PolarHBondContact O-N 3.33Å; D215-G217 PolarHBondContact OD1-N 3.33Å; D215-G217 VanDerWaalsContact OD1-N 3.12Å; D215-A218 HydrophobicContact CB-CB 4.44Å; D215-A218 VanDerWaalsContact O-CB 3.31Å; D215-A218 WeakPolarHBondContact O-CB 3.37Å; D215-A218 PolarHBondContact O-N 2.91Å; D215-R219 IonicContact OD1-NH2 3.16Å; D215-R219 VanDerWaalsContact OD2-CB 3.28Å; D215-R219 WeakPolarHBondContact OD2-CB 3.25Å; D215-R219 VanDerWaalsContact OD2-CG 3.27Å; D215-R219 WeakPolarHBondContact OD2-CG 3.44Å; D215-R219 IonicContact OD2-CZ 3.86Å; D215-R219 PolarHBondContact OD2-N 3.43Å; D215-R219 IonicContact OD2-NE 2.79Å; D215-R219 PolarHBondContact OD2-NE 3.14Å; D215-R219 IonicContact OD2-NH2 3.27Å; D215-R219 PolarHBondContact OD2-NH2 2.84Å; D215-S250 PolarHBondContact O-OG 3.06Å; D215-S250 VanDerWaalsContact O-OG 3.12Å
216	G	97.5	Very high	97.5	Very high	11 Å²	11	36.2 Å²	36.2	11%	0.113	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	15.8	-176.2	0	0	0	0	0	114.9	R210 L213	R210-G216 WeakPolarHBondContact O-CA 3.09Å; L213-G216 PolarHBondContact O-N 3.03Å
217	G	97.8	Very high	97.6	Very high	1 Å²	1	38 Å²	38	1%	0.01	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	6	-175.4	0	0	0	0	0	115.6	M161 D215 R219 H220 I221	M161-G217 VanDerWaalsContact SD-CA 3.55Å; D215-G217 PolarHBondContact O-N 3.33Å; D215-G217 PolarHBondContact OD1-N 3.33Å; D215-G217 VanDerWaalsContact OD1-N 3.12Å; G217-R219 VanDerWaalsContact C-N 3.32Å; G217-R219 PolarHBondContact O-N 2.99Å; G217-H220 WeakPolarHBondContact O-CA 3.49Å; G217-H220 VanDerWaalsContact O-CB 3.27Å; G217-H220 WeakPolarHBondContact O-CB 3.42Å; G217-H220 PolarHBondContact O-N 2.89Å; G217-I221 PolarHBondContact O-N 3.34Å; G217-I221 VanDerWaalsContact O-N 3.1Å
218	A	98.5	Very high	97.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-56.6	-39	-176.8	0	0	0	0	0	114.3	D215 H220 I221 A222 F244 S250 T253 V254	D215-A218 HydrophobicContact CB-CB 4.44Å; D215-A218 VanDerWaalsContact O-CB 3.31Å; D215-A218 WeakPolarHBondContact O-CB 3.37Å; D215-A218 PolarHBondContact O-N 2.91Å; A218-H220 VanDerWaalsContact C-N 3.29Å; A218-H220 PolarHBondContact O-N 2.85Å; A218-I221 PolarHBondContact O-N 3Å; A218-A222 WeakPolarHBondContact O-CB 3.47Å; A218-A222 PolarHBondContact O-N 2.87Å; A218-F244 HydrophobicContact CB-CD1 4.25Å; A218-F244 HydrophobicContact CB-CE1 3.89Å; A218-F244 HydrophobicContact CB-CZ 4.25Å; A218-S250 WeakPolarHBondContact CB-O 3.48Å; A218-T253 HydrophobicContact CB-CG2 4.36Å; A218-V254 HydrophobicContact CB-CG2 4.1Å
219	R	98.4	Very high	97.5	Very high	166 Å²	166	39 Å²	39	63%	0.626	20%	0.201	S	C	*	.	H	α-helix	trans	-66.2	-32.4	174.9	-73.8	175.4	-65.8	-155.9	2.3	112.7	D215 G217 A222 K223 T253	D215-R219 IonicContact OD1-NH2 3.16Å; D215-R219 VanDerWaalsContact OD2-CB 3.28Å; D215-R219 WeakPolarHBondContact OD2-CB 3.25Å; D215-R219 VanDerWaalsContact OD2-CG 3.27Å; D215-R219 WeakPolarHBondContact OD2-CG 3.44Å; D215-R219 IonicContact OD2-CZ 3.86Å; D215-R219 PolarHBondContact OD2-N 3.43Å; D215-R219 IonicContact OD2-NE 2.79Å; D215-R219 PolarHBondContact OD2-NE 3.14Å; D215-R219 IonicContact OD2-NH2 3.27Å; D215-R219 PolarHBondContact OD2-NH2 2.84Å; G217-R219 VanDerWaalsContact C-N 3.32Å; G217-R219 PolarHBondContact O-N 2.99Å; R219-A222 PolarHBondContact O-N 2.88Å; R219-K223 WeakPolarHBondContact O-CB 3.26Å; R219-K223 PolarHBondContact O-N 3.23Å; R219-T253 HydrophobicContact CG-CG2 3.96Å
220	H	98.4	Very high	97.4	Very high	19 Å²	19	43 Å²	43	9%	0.088	23%	0.226	C	C	.	.	H	α-helix	trans	-68.1	-45.3	178.1	-160.4	92.6	0	0	0	111	M161 L183 D184 E187 P188 G217 A218 K223 T224	M161-H220 HydrophobicContact SD-CB 4.18Å; L183-H220 HydrophobicContact CD1-CB 4.03Å; D184-H220 PolarHBondContact O-CE1 2.88Å; D184-H220 VanDerWaalsContact O-CE1 3.26Å; E187-H220 IonicContact OE2-CD2 2.97Å; E187-H220 IonicContact OE2-CE1 2.98Å; E187-H220 IonicContact OE2-NE2 2.93Å; E187-H220 PolarHBondContact OE2-NE2 3.26Å; P188-H220 VanDerWaalsContact CD-CE1 3.46Å; P188-H220 WeakPolarHBondContact CD-CE1 3.45Å; P188-H220 WeakPolarHBondContact CD-NE2 3.42Å; P188-H220 VanDerWaalsContact CG-NE2 3.32Å; P188-H220 WeakPolarHBondContact CG-NE2 3.45Å; G217-H220 WeakPolarHBondContact O-CA 3.49Å; G217-H220 VanDerWaalsContact O-CB 3.27Å; G217-H220 WeakPolarHBondContact O-CB 3.42Å; G217-H220 PolarHBondContact O-N 2.89Å; A218-H220 VanDerWaalsContact C-N 3.29Å; A218-H220 PolarHBondContact O-N 2.85Å; H220-K223 PolarHBondContact O-N 2.76Å; H220-T224 PolarHBondContact O-N 3.27Å; H220-T224 PolarHBondContact O-OG1 2.95Å
221	I	98.5	Very high	97.2	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-57.1	-50.8	171.7	-64.1	169.3	0	0	0	110.3	I160 M161 G217 A218 K223 T224 I225 C239 V241 F244 V254	I160-I221 HydrophobicContact CD1-CB 4.31Å; I160-I221 HydrophobicContact CD1-CG1 3.76Å; M161-I221 HydrophobicContact CE-CD1 4.13Å; M161-I221 HydrophobicContact CE-CG1 4.26Å; G217-I221 PolarHBondContact O-N 3.34Å; G217-I221 VanDerWaalsContact O-N 3.1Å; A218-I221 PolarHBondContact O-N 3Å; I221-K223 PolarHBondContact O-N 3.2Å; I221-T224 WeakPolarHBondContact O-CB 3.47Å; I221-T224 PolarHBondContact O-N 3.36Å; I221-T224 VanDerWaalsContact O-N 3.14Å; I221-I225 HydrophobicContact CG2-CD1 3.93Å; I221-I225 WeakPolarHBondContact O-CG1 3.5Å; I221-I225 PolarHBondContact O-N 3.41Å; I221-C239 WeakPolarHBondContact CG2-SG 3.34Å; I221-V241 HydrophobicContact CD1-CG1 4.22Å; I221-V241 HydrophobicContact CG2-CG1 4.48Å; I221-F244 HydrophobicContact CD1-CE1 3.96Å; I221-F244 HydrophobicContact CD1-CZ 3.83Å; I221-V254 HydrophobicContact CB-CG2 4.2Å; I221-V254 HydrophobicContact CG2-CG1 3.98Å; I221-V254 HydrophobicContact CG2-CG2 3.95Å
222	A	98.4	Very high	97	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-60.8	-41.5	179.8	0	0	0	0	0	113.1	A218 R219 T224 I225 R226 T253 A257	A218-A222 WeakPolarHBondContact O-CB 3.47Å; A218-A222 PolarHBondContact O-N 2.87Å; R219-A222 PolarHBondContact O-N 2.88Å; A222-T224 VanDerWaalsContact C-N 3.33Å; A222-I225 PolarHBondContact O-N 3.09Å; A222-R226 WeakPolarHBondContact O-CG 3.42Å; A222-R226 PolarHBondContact O-N 2.94Å; A222-R226 VanDerWaalsContact O-N 3.12Å; A222-T253 HydrophobicContact CB-CG2 3.93Å; A222-A257 HydrophobicContact CB-CB 3.77Å
223	K	98.3	Very high	96.8	Very high	90 Å²	90	49 Å²	49	39%	0.391	26%	0.255	S	S	.	.	H	α-helix	trans	-61.3	-42.9	174.7	-173.9	178.1	170.8	-163.3	0	110.5	P185 P188 R219 H220 I221 R226 Q227	P185-K223 PolarHBondContact O-NZ 3.19Å; P188-K223 HydrophobicContact CB-CB 4.29Å; P188-K223 HydrophobicContact CB-CD 4.14Å; P188-K223 HydrophobicContact CB-CG 3.85Å; P188-K223 HydrophobicContact CG-CB 4.31Å; P188-K223 HydrophobicContact CG-CD 3.97Å; P188-K223 HydrophobicContact CG-CG 4.1Å; R219-K223 WeakPolarHBondContact O-CB 3.26Å; R219-K223 PolarHBondContact O-N 3.23Å; H220-K223 PolarHBondContact O-N 2.76Å; I221-K223 PolarHBondContact O-N 3.2Å; K223-R226 PolarHBondContact O-N 2.97Å; K223-Q227 HydrophobicContact CG-CG 4.42Å; K223-Q227 WeakPolarHBondContact O-CB 3.49Å; K223-Q227 VanDerWaalsContact O-CG 3.26Å; K223-Q227 WeakPolarHBondContact O-CG 3.46Å; K223-Q227 PolarHBondContact O-N 2.91Å
224	T	98.2	Very high	96.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.3	-49.3	178.2	-56.7	0	0	0	0	111.7	I160 P188 T191 H220 I221 A222 R226 Q227 I228	I160-T224 HydrophobicContact CG2-CG2 4.39Å; P188-T224 WeakPolarHBondContact CB-OG1 3.45Å; T191-T224 HydrophobicContact CG2-CG2 3.68Å; H220-T224 PolarHBondContact O-N 3.27Å; H220-T224 PolarHBondContact O-OG1 2.95Å; I221-T224 WeakPolarHBondContact O-CB 3.47Å; I221-T224 PolarHBondContact O-N 3.36Å; I221-T224 VanDerWaalsContact O-N 3.14Å; A222-T224 VanDerWaalsContact C-N 3.33Å; T224-R226 VanDerWaalsContact C-N 3.32Å; T224-R226 PolarHBondContact O-N 3.09Å; T224-Q227 PolarHBondContact O-N 2.87Å; T224-I228 HydrophobicContact CG2-CD1 3.85Å; T224-I228 HydrophobicContact CG2-CG1 4.5Å; T224-I228 VanDerWaalsContact O-CG1 3.28Å; T224-I228 WeakPolarHBondContact O-CG1 3.38Å; T224-I228 PolarHBondContact O-N 2.96Å
225	I	97.5	Very high	96.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56.6	-47.1	177.4	-63.9	163.3	0	0	0	110.8	I221 A222 I228 K229 V237 C239 V254 A257 P259	I221-I225 HydrophobicContact CG2-CD1 3.93Å; I221-I225 WeakPolarHBondContact O-CG1 3.5Å; I221-I225 PolarHBondContact O-N 3.41Å; A222-I225 PolarHBondContact O-N 3.09Å; I225-I228 PolarHBondContact O-N 3.32Å; I225-K229 HydrophobicContact CG2-CD 4.2Å; I225-K229 WeakPolarHBondContact O-CG 3.12Å; I225-K229 PolarHBondContact O-N 3.15Å; I225-V237 HydrophobicContact CG1-CG1 4.12Å; I225-V237 HydrophobicContact CG2-CG1 4.42Å; I225-C239 HydrophobicContact CD1-CB 4.3Å; I225-V254 HydrophobicContact CD1-CG1 4.08Å; I225-A257 HydrophobicContact CB-CB 4.01Å; I225-A257 HydrophobicContact CD1-CB 3.98Å; I225-A257 HydrophobicContact CG2-CB 4.09Å; I225-A257 VanDerWaalsContact CG2-O 3.23Å; I225-A257 WeakPolarHBondContact CG2-O 3.43Å; I225-P259 HydrophobicContact CD1-CB 4.12Å; I225-P259 HydrophobicContact CD1-CG 4.3Å
226	R	97.7	Very high	95.8	Very high	133 Å²	133	45.9 Å²	45.9	50%	0.502	23%	0.225	S	C	.	.	H	α-helix	trans	-62.5	-44.6	179	-70.3	171.3	-177.2	163.8	1.5	112.2	A222 K223 T224 I228 K229 V230 A257	A222-R226 WeakPolarHBondContact O-CG 3.42Å; A222-R226 PolarHBondContact O-N 2.94Å; A222-R226 VanDerWaalsContact O-N 3.12Å; K223-R226 PolarHBondContact O-N 2.97Å; T224-R226 VanDerWaalsContact C-N 3.32Å; T224-R226 PolarHBondContact O-N 3.09Å; R226-I228 VanDerWaalsContact C-N 3.31Å; R226-I228 PolarHBondContact O-N 3.45Å; R226-K229 PolarHBondContact O-N 3.44Å; R226-V230 VanDerWaalsContact O-CG2 3.26Å; R226-V230 WeakPolarHBondContact O-CG2 3.28Å; R226-V230 PolarHBondContact O-N 3.11Å; R226-A257 HydrophobicContact CG-CB 4.45Å
227	Q	97.7	Very high	95.7	Very high	52 Å²	52	45.4 Å²	45.4	24%	0.243	22%	0.22	C	C	.	.	H	α-helix	trans	-62.8	-38.3	178.7	-71.5	-63.8	-36.7	0	0	112.2	P188 V189 A192 K223 T224 R231	P188-Q227 HydrophobicContact CB-CG 4.33Å; P188-Q227 WeakPolarHBondContact O-CB 3.43Å; V189-Q227 HydrophobicContact CG2-CG 4.41Å; A192-Q227 HydrophobicContact CB-CB 3.65Å; A192-Q227 WeakPolarHBondContact CB-O 3.44Å; K223-Q227 HydrophobicContact CG-CG 4.42Å; K223-Q227 WeakPolarHBondContact O-CB 3.49Å; K223-Q227 VanDerWaalsContact O-CG 3.26Å; K223-Q227 WeakPolarHBondContact O-CG 3.46Å; K223-Q227 PolarHBondContact O-N 2.91Å; T224-Q227 PolarHBondContact O-N 2.87Å; Q227-R231 PolarHBondContact O-N 2.94Å; Q227-R231 PolarHBondContact O-NH1 3.37Å
228	I	96.2	Very high	95.5	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-52.3	174.5	-69.1	165.1	0	0	0	110.1	T191 A192 I195 I205 T224 I225 R226 V230 R231 K232 I235 V237	T191-I228 HydrophobicContact CG2-CD1 4.31Å; A192-I228 HydrophobicContact CB-CG1 3.97Å; I195-I228 HydrophobicContact CD1-CD1 3.4Å; I195-I228 HydrophobicContact CD1-CG1 3.62Å; I195-I228 HydrophobicContact CG2-CG2 4.43Å; I205-I228 HydrophobicContact CD1-CD1 3.86Å; I205-I228 HydrophobicContact CG1-CD1 3.95Å; T224-I228 HydrophobicContact CG2-CD1 3.85Å; T224-I228 HydrophobicContact CG2-CG1 4.5Å; T224-I228 VanDerWaalsContact O-CG1 3.28Å; T224-I228 WeakPolarHBondContact O-CG1 3.38Å; T224-I228 PolarHBondContact O-N 2.96Å; I225-I228 PolarHBondContact O-N 3.32Å; R226-I228 VanDerWaalsContact C-N 3.31Å; R226-I228 PolarHBondContact O-N 3.45Å; I228-V230 VanDerWaalsContact C-N 3.3Å; I228-V230 PolarHBondContact O-N 2.64Å; I228-R231 PolarHBondContact O-N 3.09Å; I228-R231 VanDerWaalsContact O-N 3.07Å; I228-K232 PolarHBondContact O-N 3.38Å; I228-I235 HydrophobicContact CG2-CG2 3.52Å; I228-V237 HydrophobicContact CG2-CG2 3.93Å
229	K	94.4	Very high	95.4	Very high	41 Å²	41	45.4 Å²	45.4	18%	0.178	22%	0.22	C	C	.	.	H	α-helix	trans	-64.4	-32.5	-177.2	-71.9	-170.7	170.5	-144.7	0	113.4	I225 R226 R231 K232 P233 V237 S258 E260	I225-K229 HydrophobicContact CG2-CD 4.2Å; I225-K229 WeakPolarHBondContact O-CG 3.12Å; I225-K229 PolarHBondContact O-N 3.15Å; R226-K229 PolarHBondContact O-N 3.44Å; K229-R231 VanDerWaalsContact C-N 3.34Å; K229-K232 CarbonylContact O-C 3.56Å; K229-P233 VanDerWaalsContact O-CA 3.26Å; K229-P233 WeakPolarHBondContact O-CA 3.07Å; K229-P233 WeakPolarHBondContact O-CD 3.46Å; K229-P233 WeakPolarHBondContact O-CG 3.34Å; K229-V237 HydrophobicContact CG-CG2 4.43Å; K229-S258 WeakPolarHBondContact CE-O 3.28Å; K229-S258 PolarHBondContact NZ-O 3.28Å; K229-E260 WeakPolarHBondContact CE-OE2 3.48Å; K229-E260 IonicContact NZ-OE1 2.8Å; K229-E260 PolarHBondContact NZ-OE1 2.92Å; K229-E260 IonicContact NZ-OE2 3.48Å; K229-E260 PolarHBondContact NZ-OE2 2.84Å
230	V	95.8	Very high	95.3	Very high	112 Å²	112	38.5 Å²	38.5	68%	0.679	20%	0.195	S	C	*	.	H	α-helix	trans	-63.1	-40.2	172.7	167.5	0	0	0	0	111.5	R226 I228	R226-V230 VanDerWaalsContact O-CG2 3.26Å; R226-V230 WeakPolarHBondContact O-CG2 3.28Å; R226-V230 PolarHBondContact O-N 3.11Å; I228-V230 VanDerWaalsContact C-N 3.3Å; I228-V230 PolarHBondContact O-N 2.64Å
231	R	94.8	Very high	95.3	Very high	96 Å²	96	38 Å²	38	36%	0.362	19%	0.193	S	C	.	.	H	α-helix	trans	-84	-32.1	-177.9	-72	179.8	178.1	66.5	2.8	113.7	Q227 I228 K229	Q227-R231 PolarHBondContact O-N 2.94Å; Q227-R231 PolarHBondContact O-NH1 3.37Å; I228-R231 PolarHBondContact O-N 3.09Å; I228-R231 VanDerWaalsContact O-N 3.07Å; K229-R231 VanDerWaalsContact C-N 3.34Å
232	K	92.5	Very high	95.3	Very high	36 Å²	36	38.3 Å²	38.3	16%	0.157	20%	0.196	C	C	.	.			trans	-139.9	78.4	-178.8	-162.1	172.1	-174.8	176.4	0	110.3	W198 V200 I228 K229 S234 I235	W198-K232 PolarHBondContact O-NZ 3.22Å; W198-K232 VanDerWaalsContact O-NZ 3.1Å; V200-K232 WeakPolarHBondContact O-CE 3.18Å; V200-K232 PolarHBondContact O-NZ 2.82Å; I228-K232 PolarHBondContact O-N 3.38Å; K229-K232 CarbonylContact O-C 3.56Å; K232-S234 PolarHBondContact O-N 3.17Å; K232-S234 VanDerWaalsContact O-N 3.11Å; K232-I235 HydrophobicContact CB-CB 4.26Å; K232-I235 HydrophobicContact CB-CG2 4.22Å; K232-I235 HydrophobicContact CD-CB 4.07Å; K232-I235 HydrophobicContact CD-CD1 4.24Å; K232-I235 HydrophobicContact CD-CG1 4.44Å; K232-I235 HydrophobicContact CG-CB 4Å; K232-I235 WeakPolarHBondContact O-CG2 3.47Å; K232-I235 PolarHBondContact O-N 2.69Å; K232-I235 VanDerWaalsContact O-N 3.09Å
233	P	92.1	Very high	95.2	Very high	103 Å²	103	38.3 Å²	38.3	67%	0.669	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-24.8	-174.2	-25.2	33.6	0	0	0	115.1	K229	K229-P233 VanDerWaalsContact O-CA 3.26Å; K229-P233 WeakPolarHBondContact O-CA 3.07Å; K229-P233 WeakPolarHBondContact O-CD 3.46Å; K229-P233 WeakPolarHBondContact O-CG 3.34Å
234	S	89	Confident	95.2	Very high	94 Å²	94	34.5 Å²	34.5	66%	0.657	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-12.3	179.4	57.6	0	0	0	0	114.3	K232	K232-S234 PolarHBondContact O-N 3.17Å; K232-S234 VanDerWaalsContact O-N 3.11Å
235	I	89.7	Confident	95	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.			trans	-71.7	140	-176.6	-158.1	177.8	0	0	0	111	I195 V200 D201 I203 I228 K232 V237	I195-I235 HydrophobicContact CG2-CD1 3.34Å; V200-I235 HydrophobicContact CG2-CD1 4.2Å; D201-I235 WeakPolarHBondContact O-CG1 3.41Å; I203-I235 HydrophobicContact CB-CD1 3.86Å; I203-I235 HydrophobicContact CG2-CD1 3.61Å; I203-I235 HydrophobicContact CG2-CG1 4.27Å; I228-I235 HydrophobicContact CG2-CG2 3.52Å; K232-I235 HydrophobicContact CB-CB 4.26Å; K232-I235 HydrophobicContact CB-CG2 4.22Å; K232-I235 HydrophobicContact CD-CB 4.07Å; K232-I235 HydrophobicContact CD-CD1 4.24Å; K232-I235 HydrophobicContact CD-CG1 4.44Å; K232-I235 HydrophobicContact CG-CB 4Å; K232-I235 WeakPolarHBondContact O-CG2 3.47Å; K232-I235 PolarHBondContact O-N 2.69Å; K232-I235 VanDerWaalsContact O-N 3.09Å; I235-V237 HydrophobicContact CG2-CG2 3.98Å
236	I	91.3	Very high	94.9	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.026	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	125.6	171.1	-66	174	0	0	0	108.7	D201 Y202 I203 E260 K399 I402	D201-I236 PolarHBondContact O-N 2.76Å; Y202-I236 WeakPolarHBondContact CA-O 3.19Å; Y202-I236 HydrophobicContact CD2-CB 3.68Å; Y202-I236 HydrophobicContact CD2-CD1 4.31Å; Y202-I236 HydrophobicContact CD2-CG2 3.41Å; Y202-I236 VanDerWaalsContact CD2-CG2 3.41Å; Y202-I236 HydrophobicContact CE2-CB 4.12Å; Y202-I236 HydrophobicContact CE2-CG2 3.3Å; Y202-I236 HydrophobicContact CG-CB 4.33Å; Y202-I236 HydrophobicContact CG-CG2 4.29Å; I203-I236 PolarHBondContact N-O 2.91Å; I236-E260 HydrophobicContact CB-CG 4.45Å; I236-E260 HydrophobicContact CG1-CG 4.38Å; I236-E260 HydrophobicContact CG2-CB 3.72Å; I236-E260 HydrophobicContact CG2-CG 4Å; I236-K399 HydrophobicContact CD1-CB 3.63Å; I236-K399 HydrophobicContact CD1-CD 4.09Å; I236-K399 HydrophobicContact CD1-CG 3.58Å; I236-I402 HydrophobicContact CD1-CD1 4.05Å; I236-I402 HydrophobicContact CG1-CD1 4.37Å; I236-I402 HydrophobicContact CG2-CD1 3.58Å
237	V	93.8	Very high	94.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	112.5	178.1	-174.3	0	0	0	0	110.1	I203 I205 I225 I228 K229 I235 E260 V261	I203-V237 HydrophobicContact CG2-CB 4.45Å; I203-V237 HydrophobicContact CG2-CG1 4.38Å; I203-V237 HydrophobicContact CG2-CG2 4.04Å; I205-V237 HydrophobicContact CG1-CG1 4.24Å; I225-V237 HydrophobicContact CG1-CG1 4.12Å; I225-V237 HydrophobicContact CG2-CG1 4.42Å; I228-V237 HydrophobicContact CG2-CG2 3.93Å; K229-V237 HydrophobicContact CG-CG2 4.43Å; I235-V237 HydrophobicContact CG2-CG2 3.98Å; V237-E260 PolarHBondContact N-OE2 3.24Å; V237-E260 PolarHBondContact O-N 2.79Å; V237-V261 PolarHBondContact O-N 3.01Å
238	E	95.2	Very high	94.9	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	127.5	163.7	173	169.5	134.6	0	0	109.7	Y202 I203 V204 I205 V261 A263 K313	Y202-E238 HydrophobicContact CE1-CB 3.76Å; Y202-E238 WeakPolarHBondContact OH-CB 3.41Å; Y202-E238 PolarHBondContact OH-OE2 3.03Å; I203-E238 PolarHBondContact O-N 2.97Å; V204-E238 CarbonylContact C-O 3.58Å; V204-E238 WeakPolarHBondContact CA-O 3.25Å; V204-E238 HydrophobicContact CG1-CG 4.29Å; V204-E238 HydrophobicContact CG2-CB 4.17Å; V204-E238 HydrophobicContact CG2-CG 4.37Å; I205-E238 PolarHBondContact N-O 3.37Å; E238-V261 HydrophobicContact CB-CB 3.77Å; E238-V261 HydrophobicContact CB-CG1 4.41Å; E238-V261 HydrophobicContact CB-CG2 4.15Å; E238-V261 HydrophobicContact CG-CB 3.79Å; E238-V261 HydrophobicContact CG-CG1 3.88Å; E238-V261 HydrophobicContact CG-CG2 4.5Å; E238-A263 HydrophobicContact CG-CB 4.36Å; E238-K313 IonicContact OE1-NZ 2.82Å; E238-K313 PolarHBondContact OE1-NZ 3.12Å; E238-K313 WeakPolarHBondContact OE2-CD 3.43Å; E238-K313 IonicContact OE2-NZ 3.78Å; E238-K313 PolarHBondContact OE2-NZ 3.01Å
239	C	95.8	Very high	95	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.007	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	108.4	177	-162.5	0	0	0	0	110.5	I205 I221 I225 V241 P259 V261 A263	I205-C239 CarbonylContact O-C 3.54Å; I205-C239 WeakPolarHBondContact O-CA 3.5Å; I221-C239 WeakPolarHBondContact CG2-SG 3.34Å; I225-C239 HydrophobicContact CD1-CB 4.3Å; C239-V241 HydrophobicContact CB-CG1 4.21Å; C239-V241 WeakPolarHBondContact SG-CG1 3.29Å; C239-P259 HydrophobicContact CB-CB 4.2Å; C239-V261 PolarHBondContact N-O 3.1Å; C239-A263 PolarHBondContact O-N 3.15Å
240	L	96.8	Very high	95.2	Very high	21 Å²	21	43.5 Å²	43.5	11%	0.11	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	98.9	172.9	175.4	59.9	0	0	0	109.7	V204 I205 T206 A263 S389	V204-L240 HydrophobicContact CG1-CB 4.43Å; I205-L240 PolarHBondContact O-N 2.96Å; T206-L240 VanDerWaalsContact CA-O 3.28Å; T206-L240 WeakPolarHBondContact CA-O 3.47Å; T206-L240 WeakPolarHBondContact CB-O 3.29Å; T206-L240 PolarHBondContact OG1-O 2.99Å; L240-A263 CarbonylContact C-O 3.56Å; L240-A263 WeakPolarHBondContact CA-O 3.45Å; L240-A263 HydrophobicContact CB-CB 4.23Å; L240-A263 HydrophobicContact CD1-CB 3.89Å; L240-S389 WeakPolarHBondContact CD2-OG 3.26Å
241	V	97.6	Very high	95.3	Very high	7 Å²	7	38.2 Å²	38.2	4%	0.042	21%	0.211	C	C	.	.			trans	-102.1	157.5	-167.5	-62.6	0	0	0	0	114.1	I221 C239 F244 V254 Y262 A263 H264	I221-V241 HydrophobicContact CD1-CG1 4.22Å; I221-V241 HydrophobicContact CG2-CG1 4.48Å; C239-V241 HydrophobicContact CB-CG1 4.21Å; C239-V241 WeakPolarHBondContact SG-CG1 3.29Å; V241-F244 HydrophobicContact CB-CE2 3.86Å; V241-F244 HydrophobicContact CB-CZ 3.8Å; V241-F244 HydrophobicContact CG1-CE2 4.41Å; V241-F244 HydrophobicContact CG1-CZ 4.14Å; V241-F244 HydrophobicContact CG2-CE2 3.94Å; V241-F244 HydrophobicContact CG2-CZ 4.39Å; V241-V254 HydrophobicContact CG1-CG1 4.15Å; V241-Y262 HydrophobicContact CG1-CE2 4.45Å; V241-Y262 HydrophobicContact CG2-CD1 4.48Å; V241-Y262 HydrophobicContact CG2-CE1 3.74Å; V241-Y262 HydrophobicContact CG2-CE2 3.84Å; V241-Y262 WeakPolarHBondContact CG2-OH 3.07Å; V241-A263 WeakPolarHBondContact CG2-O 3.34Å; V241-A263 PolarHBondContact N-O 3.08Å; V241-H264 HydrophobicContact CG2-CB 4.39Å; V241-H264 PolarHBondContact O-ND1 2.78Å
242	P	97.5	Very high	95.5	Very high	10 Å²	10	35.1 Å²	35.1	7%	0.065	20%	0.201	C	C	.	.			trans	-57.5	169.5	161.4	-25	36.5	0	0	0	112.7	S207 F244	S207-P242 VanDerWaalsContact OG-CD 3.24Å; S207-P242 WeakPolarHBondContact OG-CD 3.21Å; S207-P242 VanDerWaalsContact OG-CG 3.32Å; S207-P242 WeakPolarHBondContact OG-CG 3.45Å; P242-F244 HydrophobicContact CB-CD1 4.4Å; P242-F244 HydrophobicContact CB-CE1 4.37Å; P242-F244 HydrophobicContact CG-CE1 4.4Å; P242-F244 WeakPolarHBondContact O-CD2 3.42Å; P242-F244 WeakPolarHBondContact O-CE2 3.23Å; P242-F244 PolarHBondContact O-N 3.18Å
243	D	97.3	Very high	95.8	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	20%	0.204	C	C	.	.			trans	-79.7	-4.9	172.7	61.8	21	0	0	0	113.7	R167 R245 G246 H264 Q285	R167-D243 IonicContact CZ-OD1 2.76Å; R167-D243 VanDerWaalsContact CZ-OD1 3.27Å; R167-D243 IonicContact CZ-OD2 2.69Å; R167-D243 IonicContact NH1-OD1 3.66Å; R167-D243 PolarHBondContact NH1-OD1 3.33Å; R167-D243 IonicContact NH1-OD2 3.05Å; R167-D243 PolarHBondContact NH1-OD2 3.29Å; R167-D243 IonicContact NH2-OD1 3.69Å; R167-D243 PolarHBondContact NH2-OD1 3.43Å; R167-D243 IonicContact NH2-OD2 3.38Å; D243-R245 PolarHBondContact O-N 3.07Å; D243-R245 PolarHBondContact OD1-N 3.46Å; D243-G246 PolarHBondContact O-N 3.22Å; D243-H264 PolarHBondContact N-CE1 3.4Å; D243-Q285 HydrophobicContact CB-CG 4.34Å; D243-Q285 PolarHBondContact OD2-NE2 3.46Å
244	F	97.6	Very high	96.1	Very high	10 Å²	10	30.2 Å²	30.2	4%	0.044	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	49.2	28.9	-174.3	-51.5	-69.1	0	0	0	114.2	A218 I221 V241 P242 G246 C247 I251 V254	A218-F244 HydrophobicContact CB-CD1 4.25Å; A218-F244 HydrophobicContact CB-CE1 3.89Å; A218-F244 HydrophobicContact CB-CZ 4.25Å; I221-F244 HydrophobicContact CD1-CE1 3.96Å; I221-F244 HydrophobicContact CD1-CZ 3.83Å; V241-F244 HydrophobicContact CB-CE2 3.86Å; V241-F244 HydrophobicContact CB-CZ 3.8Å; V241-F244 HydrophobicContact CG1-CE2 4.41Å; V241-F244 HydrophobicContact CG1-CZ 4.14Å; V241-F244 HydrophobicContact CG2-CE2 3.94Å; V241-F244 HydrophobicContact CG2-CZ 4.39Å; P242-F244 HydrophobicContact CB-CD1 4.4Å; P242-F244 HydrophobicContact CB-CE1 4.37Å; P242-F244 HydrophobicContact CG-CE1 4.4Å; P242-F244 WeakPolarHBondContact O-CD2 3.42Å; P242-F244 WeakPolarHBondContact O-CE2 3.23Å; P242-F244 PolarHBondContact O-N 3.18Å; F244-G246 PolarHBondContact O-N 2.97Å; F244-G246 VanDerWaalsContact O-N 3.15Å; F244-C247 HydrophobicContact CB-CB 4.19Å; F244-C247 WeakPolarHBondContact O-CB 2.83Å; F244-C247 PolarHBondContact O-N 3.38Å; F244-I251 HydrophobicContact CD2-CG1 3.94Å; F244-V254 HydrophobicContact CE2-CG2 4.29Å; F244-V254 HydrophobicContact CZ-CG2 3.92Å
245	R	95.3	Very high	96.5	Very high	157 Å²	157	25.8 Å²	25.8	59%	0.592	14%	0.141	S	C	*	.	G	3₁₀ helix	trans	54.6	28	-172.5	-57	175.8	63.7	174	-0.8	113.3	D211 D243 C247	D211-R245 WeakPolarHBondContact OD1-CD 3.47Å; D211-R245 WeakPolarHBondContact OD1-CG 3.49Å; D243-R245 PolarHBondContact O-N 3.07Å; D243-R245 PolarHBondContact OD1-N 3.46Å; R245-C247 VanDerWaalsContact C-N 3.33Å
246	G	95.1	Very high	96.9	Very high	36 Å²	36	31.3 Å²	31.3	37%	0.371	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	75.9	14.8	-175.1	0	0	0	0	0	114.6	D243 F244 T248	D243-G246 PolarHBondContact O-N 3.22Å; F244-G246 PolarHBondContact O-N 2.97Å; F244-G246 VanDerWaalsContact O-N 3.15Å; G246-T248 PolarHBondContact O-N 2.76Å; G246-T248 VanDerWaalsContact O-N 3.14Å
247	C	97.3	Very high	97.1	Very high	47 Å²	47	31.3 Å²	31.3	32%	0.318	16%	0.163	S	C	.	.			trans	-69.4	106.8	176.6	-178.6	0	0	0	0	111	F244 R245 D249 S250 I251	F244-C247 HydrophobicContact CB-CB 4.19Å; F244-C247 WeakPolarHBondContact O-CB 2.83Å; F244-C247 PolarHBondContact O-N 3.38Å; R245-C247 VanDerWaalsContact C-N 3.33Å; C247-D249 VanDerWaalsContact C-N 3.33Å; C247-D249 PolarHBondContact O-N 3.35Å; C247-S250 WeakPolarHBondContact O-CB 3.35Å; C247-S250 PolarHBondContact O-N 3.23Å; C247-S250 PolarHBondContact SG-OG 3.35Å; C247-I251 PolarHBondContact O-N 3.4Å
248	T	97.8	Very high	97.2	Very high	68 Å²	68	33 Å²	33	42%	0.417	17%	0.174	S	C	.	.	H	α-helix	trans	-61.7	-37.2	-179.7	51.4	0	0	0	0	112.8	G246 S250 I251 H252 T292	G246-T248 PolarHBondContact O-N 2.76Å; G246-T248 VanDerWaalsContact O-N 3.14Å; T248-S250 VanDerWaalsContact C-N 3.3Å; T248-S250 PolarHBondContact O-N 2.97Å; T248-I251 WeakPolarHBondContact O-CB 3.08Å; T248-I251 PolarHBondContact O-N 3.29Å; T248-H252 WeakPolarHBondContact O-CB 3.06Å; T248-H252 PolarHBondContact O-CD2 2.92Å; T248-H252 PolarHBondContact O-N 2.87Å; T248-H252 PolarHBondContact O-ND1 3.49Å; T248-T292 HydrophobicContact CG2-CG2 4.17Å
249	D	98.3	Very high	97.2	Very high	106 Å²	106	32.9 Å²	32.9	57%	0.567	17%	0.174	S	C	*	.	H	α-helix	trans	-65.2	-34.5	177.8	-71.4	-27.8	0	0	0	112.7	C247 H252 T253	C247-D249 VanDerWaalsContact C-N 3.33Å; C247-D249 PolarHBondContact O-N 3.35Å; D249-H252 PolarHBondContact O-N 3.21Å; D249-T253 WeakPolarHBondContact O-CB 3.5Å; D249-T253 PolarHBondContact O-N 3.38Å; D249-T253 PolarHBondContact O-OG1 3.01Å
250	S	98.5	Very high	97.2	Very high	2 Å²	2	33 Å²	33	1%	0.014	17%	0.174	C	C	.	.	H	α-helix	trans	-66.7	-45.3	174.4	-63.3	0	0	0	0	110.7	D215 A218 C247 T248 H252 T253 V254	D215-S250 PolarHBondContact O-OG 3.06Å; D215-S250 VanDerWaalsContact O-OG 3.12Å; A218-S250 WeakPolarHBondContact CB-O 3.48Å; C247-S250 WeakPolarHBondContact O-CB 3.35Å; C247-S250 PolarHBondContact O-N 3.23Å; C247-S250 PolarHBondContact SG-OG 3.35Å; T248-S250 VanDerWaalsContact C-N 3.3Å; T248-S250 PolarHBondContact O-N 2.97Å; S250-H252 PolarHBondContact O-N 3.5Å; S250-T253 WeakPolarHBondContact O-CB 3.3Å; S250-T253 PolarHBondContact O-N 3.06Å; S250-V254 PolarHBondContact O-N 3.48Å
251	I	98.4	Very high	97.1	Very high	2 Å²	2	32 Å²	32	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-57.8	-49.9	173.2	-62.8	163.6	0	0	0	110.4	F244 C247 T248 T253 V254 V255 Y262 T292 A293	F244-I251 HydrophobicContact CD2-CG1 3.94Å; C247-I251 PolarHBondContact O-N 3.4Å; T248-I251 WeakPolarHBondContact O-CB 3.08Å; T248-I251 PolarHBondContact O-N 3.29Å; I251-T253 VanDerWaalsContact C-N 3.28Å; I251-T253 PolarHBondContact O-N 2.69Å; I251-V254 PolarHBondContact O-N 3.38Å; I251-V255 HydrophobicContact CG2-CG2 4.36Å; I251-V255 WeakPolarHBondContact O-CG2 3.47Å; I251-V255 PolarHBondContact O-N 2.8Å; I251-Y262 HydrophobicContact CG2-CE2 4.42Å; I251-T292 HydrophobicContact CB-CG2 4.28Å; I251-T292 HydrophobicContact CD1-CG2 4.14Å; I251-T292 HydrophobicContact CG2-CG2 3.89Å; I251-A293 HydrophobicContact CG2-CB 3.94Å
252	H	98.3	Very high	97.1	Very high	30 Å²	30	31.6 Å²	31.6	14%	0.139	17%	0.167	C	C	.	.	H	α-helix	trans	-60.2	-37.3	178.9	-66	164.7	0	0	0	112.8	T248 D249 S250 V255 R256 R296	T248-H252 WeakPolarHBondContact O-CB 3.06Å; T248-H252 PolarHBondContact O-CD2 2.92Å; T248-H252 PolarHBondContact O-N 2.87Å; T248-H252 PolarHBondContact O-ND1 3.49Å; D249-H252 PolarHBondContact O-N 3.21Å; S250-H252 PolarHBondContact O-N 3.5Å; H252-V255 PolarHBondContact O-N 3.05Å; H252-R256 WeakPolarHBondContact O-CB 3.35Å; H252-R256 VanDerWaalsContact O-CG 3.27Å; H252-R256 WeakPolarHBondContact O-CG 3.5Å; H252-R256 PolarHBondContact O-N 3.07Å; H252-R296 HydrophobicContact CB-CG 4.36Å
253	T	98.5	Very high	97.1	Very high	37 Å²	37	31.1 Å²	31.1	23%	0.227	16%	0.164	C	C	.	.	H	α-helix	trans	-61.3	-44.9	178.6	-65.4	0	0	0	0	111.1	A218 R219 A222 D249 S250 I251 A257	A218-T253 HydrophobicContact CB-CG2 4.36Å; R219-T253 HydrophobicContact CG-CG2 3.96Å; A222-T253 HydrophobicContact CB-CG2 3.93Å; D249-T253 WeakPolarHBondContact O-CB 3.5Å; D249-T253 PolarHBondContact O-N 3.38Å; D249-T253 PolarHBondContact O-OG1 3.01Å; S250-T253 WeakPolarHBondContact O-CB 3.3Å; S250-T253 PolarHBondContact O-N 3.06Å; I251-T253 VanDerWaalsContact C-N 3.28Å; I251-T253 PolarHBondContact O-N 2.69Å; T253-A257 PolarHBondContact O-N 3.14Å
254	V	98.3	Very high	97.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-69	-45.1	177.2	179.2	0	0	0	0	111.1	A218 I221 I225 V241 F244 S250 I251 R256 A257 P259 Y262	A218-V254 HydrophobicContact CB-CG2 4.1Å; I221-V254 HydrophobicContact CB-CG2 4.2Å; I221-V254 HydrophobicContact CG2-CG1 3.98Å; I221-V254 HydrophobicContact CG2-CG2 3.95Å; I225-V254 HydrophobicContact CD1-CG1 4.08Å; V241-V254 HydrophobicContact CG1-CG1 4.15Å; F244-V254 HydrophobicContact CE2-CG2 4.29Å; F244-V254 HydrophobicContact CZ-CG2 3.92Å; S250-V254 PolarHBondContact O-N 3.48Å; I251-V254 PolarHBondContact O-N 3.38Å; V254-R256 VanDerWaalsContact C-N 3.28Å; V254-R256 PolarHBondContact O-N 2.97Å; V254-A257 VanDerWaalsContact O-CB 3.29Å; V254-A257 WeakPolarHBondContact O-CB 3.45Å; V254-A257 PolarHBondContact O-N 3.05Å; V254-P259 HydrophobicContact CG1-CG 4.45Å; V254-P259 VanDerWaalsContact O-CD 3.26Å; V254-P259 WeakPolarHBondContact O-CD 3.37Å; V254-Y262 HydrophobicContact CB-CE2 4.12Å; V254-Y262 HydrophobicContact CG1-CD2 4.06Å; V254-Y262 HydrophobicContact CG1-CE2 3.96Å
255	V	98	Very high	97.1	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	17%	0.165	C	C	.	.	H	α-helix	trans	-60.8	-37.3	178.8	176.4	0	0	0	0	111.7	I251 H252 A257 S258 Y262 A293 R296 L300 V310	I251-V255 HydrophobicContact CG2-CG2 4.36Å; I251-V255 WeakPolarHBondContact O-CG2 3.47Å; I251-V255 PolarHBondContact O-N 2.8Å; H252-V255 PolarHBondContact O-N 3.05Å; V255-A257 PolarHBondContact O-N 2.93Å; V255-S258 WeakPolarHBondContact O-CA 3.31Å; V255-S258 PolarHBondContact O-N 2.81Å; V255-Y262 HydrophobicContact CG2-CD2 3.94Å; V255-Y262 HydrophobicContact CG2-CE2 4.08Å; V255-A293 HydrophobicContact CG2-CB 3.89Å; V255-R296 HydrophobicContact CB-CG 4.16Å; V255-R296 HydrophobicContact CG1-CB 4.22Å; V255-R296 HydrophobicContact CG1-CG 3.89Å; V255-L300 HydrophobicContact CG1-CD1 3.92Å; V255-V310 HydrophobicContact CG1-CG2 4.42Å
256	R	97.5	Very high	97.3	Very high	116 Å²	116	23.8 Å²	23.8	44%	0.438	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-12.7	173.7	-76.8	-179.8	177.8	118.8	-4.5	114.4	H252 V254 R296 L300	H252-R256 WeakPolarHBondContact O-CB 3.35Å; H252-R256 VanDerWaalsContact O-CG 3.27Å; H252-R256 WeakPolarHBondContact O-CG 3.5Å; H252-R256 PolarHBondContact O-N 3.07Å; V254-R256 VanDerWaalsContact C-N 3.28Å; V254-R256 PolarHBondContact O-N 2.97Å; R256-R296 VanDerWaalsContact NE-NH2 3.11Å; R256-L300 HydrophobicContact CG-CD1 4.16Å; R256-L300 HydrophobicContact CG-CD2 4.42Å
257	A	97.1	Very high	97.4	Very high	5 Å²	5	23.4 Å²	23.4	4%	0.041	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-2	167.8	0	0	0	0	0	112	A222 I225 R226 T253 V254 V255	A222-A257 HydrophobicContact CB-CB 3.77Å; I225-A257 HydrophobicContact CB-CB 4.01Å; I225-A257 HydrophobicContact CD1-CB 3.98Å; I225-A257 HydrophobicContact CG2-CB 4.09Å; I225-A257 VanDerWaalsContact CG2-O 3.23Å; I225-A257 WeakPolarHBondContact CG2-O 3.43Å; R226-A257 HydrophobicContact CG-CB 4.45Å; T253-A257 PolarHBondContact O-N 3.14Å; V254-A257 VanDerWaalsContact O-CB 3.29Å; V254-A257 WeakPolarHBondContact O-CB 3.45Å; V254-A257 PolarHBondContact O-N 3.05Å; V255-A257 PolarHBondContact O-N 2.93Å
258	S	95	Very high	97.4	Very high	34 Å²	34	21.2 Å²	21.2	24%	0.238	11%	0.11	C	C	.	.			trans	55.9	50.8	174.8	-52.4	0	0	0	0	113.9	K229 V255	K229-S258 WeakPolarHBondContact CE-O 3.28Å; K229-S258 PolarHBondContact NZ-O 3.28Å; V255-S258 WeakPolarHBondContact O-CA 3.31Å; V255-S258 PolarHBondContact O-N 2.81Å
259	P	95.7	Very high	97.5	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.09	C	C	.	.			trans	-62	145.1	167.9	30.3	-34.7	0	0	0	109.8	I225 C239 V254 V261 V310	I225-P259 HydrophobicContact CD1-CB 4.12Å; I225-P259 HydrophobicContact CD1-CG 4.3Å; C239-P259 HydrophobicContact CB-CB 4.2Å; V254-P259 HydrophobicContact CG1-CG 4.45Å; V254-P259 VanDerWaalsContact O-CD 3.26Å; V254-P259 WeakPolarHBondContact O-CD 3.37Å; P259-V261 VanDerWaalsContact C-N 3.29Å; P259-V261 PolarHBondContact O-N 3.05Å; P259-V310 WeakPolarHBondContact O-CG2 3.4Å
260	E	94.7	Very high	97.5	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.009	9%	0.088	C	C	.	.	S	Bend	trans	-64.2	-36.6	173.8	-82.3	69.1	-150.8	0	0	112.4	K229 I236 V237 F308 V311 I402 K406	K229-E260 WeakPolarHBondContact CE-OE2 3.48Å; K229-E260 IonicContact NZ-OE1 2.8Å; K229-E260 PolarHBondContact NZ-OE1 2.92Å; K229-E260 IonicContact NZ-OE2 3.48Å; K229-E260 PolarHBondContact NZ-OE2 2.84Å; I236-E260 HydrophobicContact CB-CG 4.45Å; I236-E260 HydrophobicContact CG1-CG 4.38Å; I236-E260 HydrophobicContact CG2-CB 3.72Å; I236-E260 HydrophobicContact CG2-CG 4Å; V237-E260 PolarHBondContact N-OE2 3.24Å; V237-E260 PolarHBondContact O-N 2.79Å; E260-F308 HydrophobicContact CG-CE2 4.32Å; E260-F308 HydrophobicContact CG-CZ 4.16Å; E260-F308 WeakPolarHBondContact OE1-CZ 3.45Å; E260-V311 PolarHBondContact O-N 2.82Å; E260-I402 HydrophobicContact CB-CD1 3.58Å; E260-I402 HydrophobicContact CB-CG1 4.19Å; E260-I402 HydrophobicContact CB-CG2 4.47Å; E260-I402 HydrophobicContact CG-CD1 3.96Å; E260-I402 HydrophobicContact CG-CG1 4.4Å; E260-I402 HydrophobicContact CG-CG2 3.78Å; E260-K406 IonicContact OE1-NZ 2.94Å; E260-K406 PolarHBondContact OE1-NZ 3.35Å
261	V	95.4	Very high	97.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	129.8	176.7	-169.8	0	0	0	0	110.1	V237 E238 C239 P259 V311 K313 I398 I402	V237-V261 PolarHBondContact O-N 3.01Å; E238-V261 HydrophobicContact CB-CB 3.77Å; E238-V261 HydrophobicContact CB-CG1 4.41Å; E238-V261 HydrophobicContact CB-CG2 4.15Å; E238-V261 HydrophobicContact CG-CB 3.79Å; E238-V261 HydrophobicContact CG-CG1 3.88Å; E238-V261 HydrophobicContact CG-CG2 4.5Å; C239-V261 PolarHBondContact N-O 3.1Å; P259-V261 VanDerWaalsContact C-N 3.29Å; P259-V261 PolarHBondContact O-N 3.05Å; V261-V311 CarbonylContact C-O 3.58Å; V261-V311 VanDerWaalsContact CA-O 3.27Å; V261-V311 WeakPolarHBondContact CA-O 3.33Å; V261-V311 HydrophobicContact CG1-CB 4.34Å; V261-V311 HydrophobicContact CG1-CG1 4.39Å; V261-V311 WeakPolarHBondContact CG1-O 3.39Å; V261-V311 HydrophobicContact CG2-CB 4.23Å; V261-K313 HydrophobicContact CG1-CB 3.87Å; V261-K313 HydrophobicContact CG1-CD 4.23Å; V261-I398 HydrophobicContact CG2-CG2 3.46Å; V261-I398 VanDerWaalsContact CG2-CG2 3.46Å; V261-I402 HydrophobicContact CG2-CD1 4.28Å
262	Y	97.2	Very high	97.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	111.1	168.9	-175.4	-77.5	0	0	0	108.7	V241 I251 V254 V255 H264 S289 L290 A293 V311 T312 K313	V241-Y262 HydrophobicContact CG1-CE2 4.45Å; V241-Y262 HydrophobicContact CG2-CD1 4.48Å; V241-Y262 HydrophobicContact CG2-CE1 3.74Å; V241-Y262 HydrophobicContact CG2-CE2 3.84Å; V241-Y262 WeakPolarHBondContact CG2-OH 3.07Å; I251-Y262 HydrophobicContact CG2-CE2 4.42Å; V254-Y262 HydrophobicContact CB-CE2 4.12Å; V254-Y262 HydrophobicContact CG1-CD2 4.06Å; V254-Y262 HydrophobicContact CG1-CE2 3.96Å; V255-Y262 HydrophobicContact CG2-CD2 3.94Å; V255-Y262 HydrophobicContact CG2-CE2 4.08Å; Y262-H264 HydrophobicContact CE1-CB 4.49Å; Y262-S289 PolarHBondContact OH-OG 2.92Å; Y262-L290 HydrophobicContact CD1-CD2 4.49Å; Y262-A293 HydrophobicContact CD1-CB 3.52Å; Y262-A293 HydrophobicContact CD2-CB 4.19Å; Y262-A293 HydrophobicContact CE1-CB 3.55Å; Y262-A293 HydrophobicContact CE2-CB 4.2Å; Y262-A293 HydrophobicContact CG-CB 3.85Å; Y262-V311 PolarHBondContact N-O 2.92Å; Y262-T312 WeakPolarHBondContact O-CA 3.37Å; Y262-K313 PolarHBondContact O-N 2.75Å
263	A	97.3	Very high	97.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	136	-178.8	0	0	0	0	0	111	E238 C239 L240 V241 K313	E238-A263 HydrophobicContact CG-CB 4.36Å; C239-A263 PolarHBondContact O-N 3.15Å; L240-A263 CarbonylContact C-O 3.56Å; L240-A263 WeakPolarHBondContact CA-O 3.45Å; L240-A263 HydrophobicContact CB-CB 4.23Å; L240-A263 HydrophobicContact CD1-CB 3.89Å; V241-A263 WeakPolarHBondContact CG2-O 3.34Å; V241-A263 PolarHBondContact N-O 3.08Å; A263-K313 VanDerWaalsContact CA-O 3.23Å; A263-K313 WeakPolarHBondContact CA-O 3.5Å; A263-K313 HydrophobicContact CB-CB 3.97Å; A263-K313 HydrophobicContact CB-CG 4.45Å
264	H	98	Very high	97.3	Very high	5 Å²	5	29.8 Å²	29.8	2%	0.023	14%	0.139	C	C	.	.			trans	-144.8	126	166.7	179.3	69.8	0	0	0	108.7	V241 D243 Y262 S286 L290 K313 S314	V241-H264 HydrophobicContact CG2-CB 4.39Å; V241-H264 PolarHBondContact O-ND1 2.78Å; D243-H264 PolarHBondContact N-CE1 3.4Å; Y262-H264 HydrophobicContact CE1-CB 4.49Å; H264-S286 VanDerWaalsContact NE2-CB 3.25Å; H264-S286 WeakPolarHBondContact NE2-CB 3.47Å; H264-S286 PolarHBondContact NE2-OG 3.47Å; H264-L290 HydrophobicContact CB-CD2 3.83Å; H264-L290 HydrophobicContact CB-CG 4.15Å; H264-K313 PolarHBondContact N-O 2.95Å; H264-S314 WeakPolarHBondContact O-CB 3.32Å; H264-S314 PolarHBondContact O-OG 3.19Å
265	N	97.8	Very high	97.2	Very high	9 Å²	9	33.1 Å²	33.1	5%	0.048	16%	0.159	C	C	.	.			trans	-88.8	131.4	-174.3	-65.9	-13.3	0	0	0	111.4	E267 R277 S314 S315	N265-E267 VanDerWaalsContact C-N 3.26Å; N265-E267 HydrophobicContact CB-CG 3.9Å; N265-E267 WeakPolarHBondContact CB-OE1 3.36Å; N265-E267 WeakPolarHBondContact CB-OE2 3.32Å; N265-E267 PolarHBondContact ND2-OE1 3.31Å; N265-E267 PolarHBondContact ND2-OE2 3.19Å; N265-R277 PolarHBondContact O-NH2 2.82Å; N265-R277 VanDerWaalsContact O-NH2 3.14Å; N265-S314 WeakPolarHBondContact CA-OG 3.47Å; N265-S315 WeakPolarHBondContact OD1-CB 3.48Å; N265-S315 PolarHBondContact OD1-N 2.95Å
266	I	98.3	Very high	97.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.159	C	C	.	.			trans	-75.9	-20.7	165.4	61.3	165	0	0	0	111.6	T268 Q273 Y283 L287 S314 S315 I316 A330 L334	I266-T268 PolarHBondContact O-N 2.91Å; I266-Q273 PolarHBondContact O-NE2 2.92Å; I266-Y283 HydrophobicContact CD1-CE2 4.04Å; I266-L287 HydrophobicContact CG2-CD2 4.06Å; I266-L287 HydrophobicContact CG2-CG 4.46Å; I266-S314 PolarHBondContact N-OG 3.26Å; I266-S315 WeakPolarHBondContact CG1-O 3.5Å; I266-I316 HydrophobicContact CD1-CD1 4.01Å; I266-I316 HydrophobicContact CD1-CG1 3.82Å; I266-I316 HydrophobicContact CG1-CG1 3.97Å; I266-A330 HydrophobicContact CD1-CB 4.1Å; I266-L334 HydrophobicContact CD1-CD1 3.73Å; I266-L334 HydrophobicContact CD1-CD2 4Å; I266-L334 HydrophobicContact CD1-CG 3.83Å; I266-L334 HydrophobicContact CG1-CD1 4.29Å; I266-L334 HydrophobicContact CG1-CD2 4.25Å; I266-L334 HydrophobicContact CG2-CD2 3.93Å
267	E	98.1	Very high	97.2	Very high	28 Å²	28	28.4 Å²	28.4	13%	0.131	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	66.4	-39.5	175.6	-51.4	-64	-171.3	0	0	115.9	F171 N265 R277 S315 M317	F171-E267 HydrophobicContact CE1-CB 4.42Å; F171-E267 HydrophobicContact CE1-CG 4.13Å; F171-E267 HydrophobicContact CZ-CB 4.49Å; F171-E267 HydrophobicContact CZ-CG 3.87Å; N265-E267 VanDerWaalsContact C-N 3.26Å; N265-E267 HydrophobicContact CB-CG 3.9Å; N265-E267 WeakPolarHBondContact CB-OE1 3.36Å; N265-E267 WeakPolarHBondContact CB-OE2 3.32Å; N265-E267 PolarHBondContact ND2-OE1 3.31Å; N265-E267 PolarHBondContact ND2-OE2 3.19Å; E267-R277 HydrophobicContact CB-CG 4.39Å; E267-S315 PolarHBondContact N-O 3.41Å; E267-M317 HydrophobicContact CB-CE 3.75Å; E267-M317 HydrophobicContact CG-CE 4.33Å; E267-M317 PolarHBondContact O-N 2.73Å; E267-M317 WeakPolarHBondContact OE2-CE 3.45Å
268	T	98.4	Very high	97.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-156.7	174.2	-177.4	-165.5	0	0	0	0	111	I266 L272 Q273 V276	I266-T268 PolarHBondContact O-N 2.91Å; T268-L272 HydrophobicContact CG2-CB 3.87Å; T268-Q273 HydrophobicContact CG2-CG 4.45Å; T268-Q273 PolarHBondContact O-NE2 2.94Å; T268-V276 HydrophobicContact CG2-CB 3.84Å; T268-V276 HydrophobicContact CG2-CG1 4.04Å; T268-V276 HydrophobicContact CG2-CG2 3.97Å
269	V	98.5	Very high	97.3	Very high	1 Å²	1	34 Å²	34	1%	0.006	16%	0.163	C	C	.	.			trans	-68.5	157	177.2	-59.5	0	0	0	0	111.9	S271 L272 Q273 E322 E326 V327 A330	V269-S271 VanDerWaalsContact C-N 3.28Å; V269-S271 WeakPolarHBondContact CG2-OG 3.24Å; V269-S271 PolarHBondContact O-N 3.49Å; V269-L272 HydrophobicContact CG2-CB 4.21Å; V269-L272 HydrophobicContact CG2-CD1 4.09Å; V269-L272 HydrophobicContact CG2-CG 3.96Å; V269-L272 PolarHBondContact O-N 3.36Å; V269-Q273 PolarHBondContact O-N 3.23Å; V269-E322 HydrophobicContact CB-CB 4.42Å; V269-E322 HydrophobicContact CG1-CB 3.88Å; V269-E322 HydrophobicContact CG1-CG 4.5Å; V269-E322 HydrophobicContact CG2-CB 3.62Å; V269-E326 HydrophobicContact CB-CB 3.8Å; V269-E326 VanDerWaalsContact CG1-C 3.47Å; V269-E326 HydrophobicContact CG1-CB 3.67Å; V269-E326 HydrophobicContact CG2-CB 3.99Å; V269-V327 HydrophobicContact CG1-CG2 4.02Å; V269-A330 HydrophobicContact CG1-CB 4.35Å
270	E	98.3	Very high	97.3	Very high	109 Å²	109	37.5 Å²	37.5	51%	0.509	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-51.6	-44	-174.6	-174.8	173.6	-155.5	0	0	113.5	L272 Q273 Y283	E270-L272 PolarHBondContact O-N 3Å; E270-Q273 WeakPolarHBondContact O-CG 3.5Å; E270-Q273 PolarHBondContact O-N 2.92Å; E270-Y283 HydrophobicContact CB-CD1 3.79Å; E270-Y283 HydrophobicContact CB-CD2 3.98Å; E270-Y283 HydrophobicContact CB-CE1 4.06Å; E270-Y283 HydrophobicContact CB-CE2 4.24Å; E270-Y283 HydrophobicContact CB-CG 3.75Å; E270-Y283 HydrophobicContact CG-CD1 3.87Å; E270-Y283 HydrophobicContact CG-CG 3.89Å
271	S	98	Very high	97.4	Very high	70 Å²	70	38 Å²	38	49%	0.49	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-63	-23	-177.4	63.8	0	0	0	0	114.1	V269 E326	V269-S271 VanDerWaalsContact C-N 3.28Å; V269-S271 WeakPolarHBondContact CG2-OG 3.24Å; V269-S271 PolarHBondContact O-N 3.49Å; S271-E326 WeakPolarHBondContact CB-OE1 3.44Å; S271-E326 PolarHBondContact OG-OE1 3.35Å
272	L	98.1	Very high	97.4	Very high	29 Å²	29	39 Å²	39	15%	0.152	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-102.5	-6.7	-177.1	-66.7	-175.3	0	0	0	114.1	T268 V269 E270 R274 V275 V276 L320 E322	T268-L272 HydrophobicContact CG2-CB 3.87Å; V269-L272 HydrophobicContact CG2-CB 4.21Å; V269-L272 HydrophobicContact CG2-CD1 4.09Å; V269-L272 HydrophobicContact CG2-CG 3.96Å; V269-L272 PolarHBondContact O-N 3.36Å; E270-L272 PolarHBondContact O-N 3Å; L272-R274 PolarHBondContact O-N 2.77Å; L272-V275 WeakPolarHBondContact O-CA 3.28Å; L272-V275 WeakPolarHBondContact O-CB 3.5Å; L272-V275 PolarHBondContact O-N 2.89Å; L272-V276 HydrophobicContact CB-CG2 3.99Å; L272-V276 WeakPolarHBondContact O-CB 3.25Å; L272-V276 WeakPolarHBondContact O-CG2 3.18Å; L272-V276 PolarHBondContact O-N 2.64Å; L272-L320 HydrophobicContact CD1-CB 4.14Å; L272-E322 HydrophobicContact CD1-CB 3.99Å
273	Q	97.6	Very high	97.4	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.033	19%	0.193	C	C	.	.	H	α-helix	trans	-52.1	-49.9	-174.5	-71.2	-78.7	-41.1	0	0	113.2	I266 T268 V269 E270 V275 V276 R277 Y283	I266-Q273 PolarHBondContact O-NE2 2.92Å; T268-Q273 HydrophobicContact CG2-CG 4.45Å; T268-Q273 PolarHBondContact O-NE2 2.94Å; V269-Q273 PolarHBondContact O-N 3.23Å; E270-Q273 WeakPolarHBondContact O-CG 3.5Å; E270-Q273 PolarHBondContact O-N 2.92Å; Q273-V275 PolarHBondContact O-N 2.88Å; Q273-V276 PolarHBondContact O-N 3.05Å; Q273-R277 PolarHBondContact O-N 3.14Å; Q273-Y283 HydrophobicContact CG-CD2 4.15Å; Q273-Y283 HydrophobicContact CG-CG 4.48Å
274	R	95.6	Very high	97.5	Very high	210 Å²	210	42.8 Å²	42.8	79%	0.792	21%	0.209	S	C	*	.	H	α-helix	trans	-66.1	-24.5	179.8	-70.7	-175.4	177.5	-83.3	-0.6	113.8	L272	L272-R274 PolarHBondContact O-N 2.77Å
275	V	96.7	Very high	97.5	Very high	69 Å²	69	45.1 Å²	45.1	42%	0.418	22%	0.221	S	C	.	.	H	α-helix	trans	-84.7	-36	179.6	-179.4	0	0	0	0	110.5	R170 L272 Q273 L355	R170-V275 WeakPolarHBondContact CD-O 3.41Å; L272-V275 WeakPolarHBondContact O-CA 3.28Å; L272-V275 WeakPolarHBondContact O-CB 3.5Å; L272-V275 PolarHBondContact O-N 2.89Å; Q273-V275 PolarHBondContact O-N 2.88Å; V275-L355 HydrophobicContact CG1-CD2 4.48Å
276	V	97.6	Very high	97.5	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-92.5	-47.1	-170.7	174.3	0	0	0	0	112.3	R170 F171 T268 L272 Q273 L320 L355	R170-V276 PolarHBondContact N-O 2.86Å; F171-V276 HydrophobicContact CB-CG1 4.42Å; F171-V276 HydrophobicContact CD1-CG1 3.58Å; F171-V276 HydrophobicContact CE1-CG1 4.26Å; F171-V276 HydrophobicContact CG-CG1 4.34Å; T268-V276 HydrophobicContact CG2-CB 3.84Å; T268-V276 HydrophobicContact CG2-CG1 4.04Å; T268-V276 HydrophobicContact CG2-CG2 3.97Å; L272-V276 HydrophobicContact CB-CG2 3.99Å; L272-V276 WeakPolarHBondContact O-CB 3.25Å; L272-V276 WeakPolarHBondContact O-CG2 3.18Å; L272-V276 PolarHBondContact O-N 2.64Å; Q273-V276 PolarHBondContact O-N 3.05Å; V276-L320 HydrophobicContact CG1-CD1 3.86Å; V276-L320 HydrophobicContact CG2-CB 4.35Å; V276-L320 HydrophobicContact CG2-CD1 3.95Å; V276-L320 HydrophobicContact CG2-CD2 4.35Å; V276-L320 HydrophobicContact CG2-CG 4.46Å; V276-L355 HydrophobicContact CB-CD1 4.3Å; V276-L355 HydrophobicContact CG2-CD1 3.94Å
277	R	98	Very high	97.5	Very high	17 Å²	17	45.1 Å²	45.1	6%	0.064	22%	0.22	C	C	.	.	S	Bend	trans	-104.2	164.2	-173.1	-54.4	178	78.9	-166	5.9	110.8	F171 N265 E267 Q273 A281 S286	F171-R277 HydrophobicContact CE1-CG 4.14Å; N265-R277 PolarHBondContact O-NH2 2.82Å; N265-R277 VanDerWaalsContact O-NH2 3.14Å; E267-R277 HydrophobicContact CB-CG 4.39Å; Q273-R277 PolarHBondContact O-N 3.14Å; R277-A281 HydrophobicContact CB-CB 4.05Å; R277-S286 PolarHBondContact NH1-OG 3.47Å; R277-S286 PolarHBondContact NH2-OG 2.89Å
278	D	97.5	Very high	97.5	Very high	16 Å²	16	50.4 Å²	50.4	9%	0.086	24%	0.239	C	C	.	.			trans	-56.7	144.1	170	-171.6	-72.8	0	0	0	110.2	R167 G168 C169 R280 A281	R167-D278 WeakPolarHBondContact CA-OD2 3.44Å; R167-D278 HydrophobicContact CB-CB 3.84Å; R167-D278 HydrophobicContact CG-CB 4.3Å; G168-D278 PolarHBondContact N-OD2 3.24Å; C169-D278 PolarHBondContact SG-N 3.34Å; C169-D278 VanDerWaalsContact SG-N 3.4Å; D278-R280 PolarHBondContact O-N 3.36Å; D278-R280 WeakPolarHBondContact OD1-CB 3.28Å; D278-R280 IonicContact OD1-CZ 3.31Å; D278-R280 PolarHBondContact OD1-N 2.91Å; D278-R280 IonicContact OD1-NE 3.48Å; D278-R280 PolarHBondContact OD1-NE 2.72Å; D278-R280 IonicContact OD1-NH2 3.56Å; D278-R280 PolarHBondContact OD1-NH2 2.8Å; D278-R280 IonicContact OD2-CZ 2.67Å; D278-R280 IonicContact OD2-NE 2.79Å; D278-R280 IonicContact OD2-NH2 3.62Å; D278-R280 PolarHBondContact OD2-NH2 2.8Å; D278-A281 WeakPolarHBondContact O-CB 3.16Å; D278-A281 PolarHBondContact O-N 3.45Å
279	H	96	Very high	97.5	Very high	140 Å²	140	50.5 Å²	50.5	65%	0.648	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-16.4	-176.1	73.5	84.3	0	0	0	114.2	A281	H279-A281 VanDerWaalsContact C-N 3.35Å
280	R	96.2	Very high	97.5	Very high	75 Å²	75	50.4 Å²	50.4	28%	0.283	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-19.7	173.3	-70.8	167.1	-78.3	-174.1	-13.1	113.2	T166 D211 D278 Q285	T166-R280 VanDerWaalsContact O-CZ 3.25Å; T166-R280 PolarHBondContact O-NH1 3.4Å; T166-R280 PolarHBondContact O-NH2 2.84Å; D211-R280 IonicContact OD2-CZ 3.41Å; D211-R280 IonicContact OD2-NE 2.75Å; D211-R280 IonicContact OD2-NH1 3.47Å; D211-R280 PolarHBondContact OD2-NH1 2.82Å; D278-R280 PolarHBondContact O-N 3.36Å; D278-R280 WeakPolarHBondContact OD1-CB 3.28Å; D278-R280 IonicContact OD1-CZ 3.31Å; D278-R280 PolarHBondContact OD1-N 2.91Å; D278-R280 IonicContact OD1-NE 3.48Å; D278-R280 PolarHBondContact OD1-NE 2.72Å; D278-R280 IonicContact OD1-NH2 3.56Å; D278-R280 PolarHBondContact OD1-NH2 2.8Å; D278-R280 IonicContact OD2-CZ 2.67Å; D278-R280 IonicContact OD2-NE 2.79Å; D278-R280 IonicContact OD2-NH2 3.62Å; D278-R280 PolarHBondContact OD2-NH2 2.8Å; R280-Q285 PolarHBondContact O-NE2 2.86Å
281	A	96.3	Very high	97.5	Very high	11 Å²	11	49.1 Å²	49.1	9%	0.091	23%	0.233	C	C	.	.			trans	-87.2	145.7	171.7	0	0	0	0	0	110.3	R277 D278 H279	R277-A281 HydrophobicContact CB-CB 4.05Å; D278-A281 WeakPolarHBondContact O-CB 3.16Å; D278-A281 PolarHBondContact O-N 3.45Å; H279-A281 VanDerWaalsContact C-N 3.35Å
282	G	95.7	Very high	97.5	Very high	22 Å²	22	46.9 Å²	46.9	23%	0.227	22%	0.216	C	C	.	.			trans	-148.2	149.5	-179.7	0	0	0	0	0	112.9	I284 Q285 S286	G282-I284 PolarHBondContact O-N 3.49Å; G282-Q285 WeakPolarHBondContact O-CB 3.33Å; G282-Q285 PolarHBondContact O-N 3.01Å; G282-S286 PolarHBondContact O-N 2.85Å; G282-S286 PolarHBondContact O-OG 3.03Å
283	Y	98.4	Very high	97.5	Very high	11 Å²	11	45.5 Å²	45.5	4%	0.043	21%	0.209	C	C	.	.	H	α-helix	trans	-53.2	-58.7	-177.4	-165.7	-112.5	0	0	0	112.7	I266 E270 Q273 Q285 S286 L287 A330 D333	I266-Y283 HydrophobicContact CD1-CE2 4.04Å; E270-Y283 HydrophobicContact CB-CD1 3.79Å; E270-Y283 HydrophobicContact CB-CD2 3.98Å; E270-Y283 HydrophobicContact CB-CE1 4.06Å; E270-Y283 HydrophobicContact CB-CE2 4.24Å; E270-Y283 HydrophobicContact CB-CG 3.75Å; E270-Y283 HydrophobicContact CG-CD1 3.87Å; E270-Y283 HydrophobicContact CG-CG 3.89Å; Q273-Y283 HydrophobicContact CG-CD2 4.15Å; Q273-Y283 HydrophobicContact CG-CG 4.48Å; Y283-Q285 VanDerWaalsContact C-N 3.29Å; Y283-Q285 PolarHBondContact O-N 3Å; Y283-S286 PolarHBondContact O-N 3.06Å; Y283-L287 HydrophobicContact CD1-CD1 3.87Å; Y283-L287 HydrophobicContact CE1-CD1 3.51Å; Y283-L287 HydrophobicContact CE1-CG 4.48Å; Y283-L287 PolarHBondContact O-N 2.68Å; Y283-A330 WeakPolarHBondContact OH-CA 3.23Å; Y283-A330 WeakPolarHBondContact OH-CB 3.47Å; Y283-D333 HydrophobicContact CE1-CB 4.46Å; Y283-D333 VanDerWaalsContact CE1-OD2 3.28Å; Y283-D333 WeakPolarHBondContact CE1-OD2 3.37Å; Y283-D333 PolarHBondContact OH-OD2 3.09Å
284	I	98.1	Very high	97.4	Very high	68 Å²	68	46.3 Å²	46.3	35%	0.349	21%	0.213	S	C	.	.	H	α-helix	trans	-65.1	-33.9	-178.9	-56.6	-59.5	0	0	0	111.5	G282 L287 R288	G282-I284 PolarHBondContact O-N 3.49Å; I284-L287 HydrophobicContact CD1-CD1 4.45Å; I284-R288 HydrophobicContact CG2-CG 4.34Å; I284-R288 WeakPolarHBondContact O-CB 3.48Å; I284-R288 VanDerWaalsContact O-CG 3.25Å; I284-R288 WeakPolarHBondContact O-CG 3.36Å; I284-R288 PolarHBondContact O-N 3.2Å
285	Q	97.9	Very high	97.5	Very high	55 Å²	55	40.2 Å²	40.2	26%	0.257	19%	0.193	S	C	.	.	H	α-helix	trans	-63.8	-45.3	175.4	178.5	171.9	-70.7	0	0	111	D243 R280 G282 Y283 R288 S289	D243-Q285 HydrophobicContact CB-CG 4.34Å; D243-Q285 PolarHBondContact OD2-NE2 3.46Å; R280-Q285 PolarHBondContact O-NE2 2.86Å; G282-Q285 WeakPolarHBondContact O-CB 3.33Å; G282-Q285 PolarHBondContact O-N 3.01Å; Y283-Q285 VanDerWaalsContact C-N 3.29Å; Y283-Q285 PolarHBondContact O-N 3Å; Q285-R288 PolarHBondContact O-N 3Å; Q285-S289 PolarHBondContact O-N 3.47Å
286	S	98.4	Very high	97.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.9	-43	176.7	-71.3	0	0	0	0	112.6	H264 R277 G282 Y283 S289 L290	H264-S286 VanDerWaalsContact NE2-CB 3.25Å; H264-S286 WeakPolarHBondContact NE2-CB 3.47Å; H264-S286 PolarHBondContact NE2-OG 3.47Å; R277-S286 PolarHBondContact NH1-OG 3.47Å; R277-S286 PolarHBondContact NH2-OG 2.89Å; G282-S286 PolarHBondContact O-N 2.85Å; G282-S286 PolarHBondContact O-OG 3.03Å; Y283-S286 PolarHBondContact O-N 3.06Å; S286-S289 WeakPolarHBondContact O-CB 3.18Å; S286-S289 PolarHBondContact O-N 3.33Å; S286-L290 PolarHBondContact O-N 3.35Å
287	L	98.6	Very high	97.5	Very high	8 Å²	8	38.8 Å²	38.8	4%	0.042	18%	0.181	C	C	.	.	H	α-helix	trans	-61.9	-47.5	174.8	-69	175.4	0	0	0	111.6	I266 Y283 I284 S289 L290 E291 D333 L334 A337	I266-L287 HydrophobicContact CG2-CD2 4.06Å; I266-L287 HydrophobicContact CG2-CG 4.46Å; Y283-L287 HydrophobicContact CD1-CD1 3.87Å; Y283-L287 HydrophobicContact CE1-CD1 3.51Å; Y283-L287 HydrophobicContact CE1-CG 4.48Å; Y283-L287 PolarHBondContact O-N 2.68Å; I284-L287 HydrophobicContact CD1-CD1 4.45Å; L287-S289 PolarHBondContact O-N 3.32Å; L287-L290 PolarHBondContact O-N 3.48Å; L287-L290 VanDerWaalsContact O-N 3.12Å; L287-E291 PolarHBondContact O-N 2.85Å; L287-D333 HydrophobicContact CD1-CB 3.88Å; L287-D333 HydrophobicContact CD2-CB 4.38Å; L287-L334 HydrophobicContact CD2-CD2 3.79Å; L287-L334 HydrophobicContact CD2-CG 4.28Å; L287-A337 HydrophobicContact CB-CB 4.46Å; L287-A337 HydrophobicContact CD2-CB 4.29Å
288	R	98.2	Very high	97.4	Very high	140 Å²	140	41.4 Å²	41.4	53%	0.528	20%	0.196	S	C	.	.	H	α-helix	trans	-60.8	-32.1	176.4	-76.5	178.8	-179.1	175.5	2.2	112.9	I284 Q285 L290 T292	I284-R288 HydrophobicContact CG2-CG 4.34Å; I284-R288 WeakPolarHBondContact O-CB 3.48Å; I284-R288 VanDerWaalsContact O-CG 3.25Å; I284-R288 WeakPolarHBondContact O-CG 3.36Å; I284-R288 PolarHBondContact O-N 3.2Å; Q285-R288 PolarHBondContact O-N 3Å; R288-L290 VanDerWaalsContact C-N 3.34Å; R288-T292 WeakPolarHBondContact O-CB 3.43Å; R288-T292 PolarHBondContact O-N 2.92Å; R288-T292 PolarHBondContact O-OG1 2.97Å
289	S	98	Very high	97.4	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.007	22%	0.216	C	C	.	.	H	α-helix	trans	-61.8	-43.8	175.6	-167	0	0	0	0	111.5	Y262 Q285 S286 L287 A293	Y262-S289 PolarHBondContact OH-OG 2.92Å; Q285-S289 PolarHBondContact O-N 3.47Å; S286-S289 WeakPolarHBondContact O-CB 3.18Å; S286-S289 PolarHBondContact O-N 3.33Å; L287-S289 PolarHBondContact O-N 3.32Å; S289-A293 WeakPolarHBondContact O-CB 3.28Å; S289-A293 PolarHBondContact O-N 2.73Å; S289-A293 VanDerWaalsContact O-N 3.09Å
290	L	98.4	Very high	97.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-70	-44.1	178.8	-66.9	162.4	0	0	0	111.6	Y262 H264 S286 L287 R288 A293 K294 K313 L334 V339	Y262-L290 HydrophobicContact CD1-CD2 4.49Å; H264-L290 HydrophobicContact CB-CD2 3.83Å; H264-L290 HydrophobicContact CB-CG 4.15Å; S286-L290 PolarHBondContact O-N 3.35Å; L287-L290 PolarHBondContact O-N 3.48Å; L287-L290 VanDerWaalsContact O-N 3.12Å; R288-L290 VanDerWaalsContact C-N 3.34Å; L290-A293 PolarHBondContact O-N 3.43Å; L290-K294 PolarHBondContact O-N 2.98Å; L290-K313 WeakPolarHBondContact CD2-O 3.42Å; L290-L334 HydrophobicContact CD1-CD2 3.96Å; L290-V339 HydrophobicContact CB-CG2 3.88Å; L290-V339 HydrophobicContact CD1-CG2 3.63Å; L290-V339 HydrophobicContact CD2-CG2 4.49Å; L290-V339 HydrophobicContact CG-CG2 4.2Å
291	E	98.2	Very high	97.3	Very high	82 Å²	82	39.2 Å²	39.2	38%	0.383	19%	0.185	S	C	.	.	H	α-helix	trans	-58.8	-50.3	175.6	-177.1	178.5	-143.8	0	0	111	L287 A293 K294 E295 A337	L287-E291 PolarHBondContact O-N 2.85Å; E291-A293 VanDerWaalsContact C-N 3.29Å; E291-A293 PolarHBondContact O-N 2.92Å; E291-K294 WeakPolarHBondContact O-CB 3.47Å; E291-K294 PolarHBondContact O-N 3.25Å; E291-K294 VanDerWaalsContact O-N 3.13Å; E291-E295 WeakPolarHBondContact O-CG 3.45Å; E291-E295 PolarHBondContact O-N 3.15Å; E291-A337 HydrophobicContact CB-CB 4.44Å
292	T	98.2	Very high	97.2	Very high	22 Å²	22	43.9 Å²	43.9	14%	0.135	22%	0.218	C	C	.	.	H	α-helix	trans	-58.7	-40.6	177.4	-58.9	0	0	0	0	111.5	T248 I251 R288 R296	T248-T292 HydrophobicContact CG2-CG2 4.17Å; I251-T292 HydrophobicContact CB-CG2 4.28Å; I251-T292 HydrophobicContact CD1-CG2 4.14Å; I251-T292 HydrophobicContact CG2-CG2 3.89Å; R288-T292 WeakPolarHBondContact O-CB 3.43Å; R288-T292 PolarHBondContact O-N 2.92Å; R288-T292 PolarHBondContact O-OG1 2.97Å; T292-R296 WeakPolarHBondContact O-CB 3.45Å; T292-R296 PolarHBondContact O-N 2.75Å
293	A	98.1	Very high	97.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64	-43.4	177.7	0	0	0	0	0	111.7	I251 V255 Y262 S289 L290 E291 R296 S297	I251-A293 HydrophobicContact CG2-CB 3.94Å; V255-A293 HydrophobicContact CG2-CB 3.89Å; Y262-A293 HydrophobicContact CD1-CB 3.52Å; Y262-A293 HydrophobicContact CD2-CB 4.19Å; Y262-A293 HydrophobicContact CE1-CB 3.55Å; Y262-A293 HydrophobicContact CE2-CB 4.2Å; Y262-A293 HydrophobicContact CG-CB 3.85Å; S289-A293 WeakPolarHBondContact O-CB 3.28Å; S289-A293 PolarHBondContact O-N 2.73Å; S289-A293 VanDerWaalsContact O-N 3.09Å; L290-A293 PolarHBondContact O-N 3.43Å; E291-A293 VanDerWaalsContact C-N 3.29Å; E291-A293 PolarHBondContact O-N 2.92Å; A293-R296 PolarHBondContact O-N 3.23Å; A293-S297 WeakPolarHBondContact O-CB 3.44Å; A293-S297 PolarHBondContact O-N 3.11Å
294	K	96.4	Very high	96.9	Very high	25 Å²	25	48.7 Å²	48.7	11%	0.109	26%	0.259	C	S	.	.	H	α-helix	trans	-63.6	-48.7	177.2	-168.4	65.4	165	-171.8	0	111.7	L290 E291 R296 S297 N298 L309 T312 D340	L290-K294 PolarHBondContact O-N 2.98Å; E291-K294 WeakPolarHBondContact O-CB 3.47Å; E291-K294 PolarHBondContact O-N 3.25Å; E291-K294 VanDerWaalsContact O-N 3.13Å; K294-R296 PolarHBondContact O-N 2.91Å; K294-S297 PolarHBondContact O-N 2.94Å; K294-N298 PolarHBondContact O-N 3.4Å; K294-L309 HydrophobicContact CD-CD1 4.26Å; K294-T312 HydrophobicContact CB-CG2 4.1Å; K294-T312 HydrophobicContact CD-CG2 4.13Å; K294-D340 IonicContact NZ-OD1 3.66Å; K294-D340 PolarHBondContact NZ-OD1 2.74Å; K294-D340 IonicContact NZ-OD2 2.97Å; K294-D340 PolarHBondContact NZ-OD2 3.02Å
295	E	97.3	Very high	96.7	Very high	82 Å²	82	50.7 Å²	50.7	38%	0.383	27%	0.271	S	S	.	.	H	α-helix	trans	-58.2	-46.6	176.7	-74	-173.6	-174.1	0	0	112	E291 S297 N298 R299	E291-E295 WeakPolarHBondContact O-CG 3.45Å; E291-E295 PolarHBondContact O-N 3.15Å; E295-S297 VanDerWaalsContact C-N 3.32Å; E295-S297 PolarHBondContact O-N 2.69Å; E295-N298 PolarHBondContact O-N 2.97Å; E295-R299 WeakPolarHBondContact O-CG 3.43Å; E295-R299 PolarHBondContact O-N 3.29Å; E295-R299 IonicContact OE2-NH2 3.08Å; E295-R299 PolarHBondContact OE2-NH2 3.41Å; E295-R299 VanDerWaalsContact OE2-NH2 3.08Å
296	R	97.8	Very high	96.3	Very high	38 Å²	38	48.7 Å²	48.7	14%	0.143	26%	0.264	C	S	.	.	H	α-helix	trans	-63.8	-40.8	180	179.1	61.4	-168.1	161.2	10.5	111.4	H252 V255 R256 T292 A293 K294 R299 L300	H252-R296 HydrophobicContact CB-CG 4.36Å; V255-R296 HydrophobicContact CB-CG 4.16Å; V255-R296 HydrophobicContact CG1-CB 4.22Å; V255-R296 HydrophobicContact CG1-CG 3.89Å; R256-R296 VanDerWaalsContact NE-NH2 3.11Å; T292-R296 WeakPolarHBondContact O-CB 3.45Å; T292-R296 PolarHBondContact O-N 2.75Å; A293-R296 PolarHBondContact O-N 3.23Å; K294-R296 PolarHBondContact O-N 2.91Å; R296-R299 PolarHBondContact O-N 3.38Å; R296-L300 HydrophobicContact CG-CD1 4.23Å; R296-L300 WeakPolarHBondContact O-CG 3.38Å; R296-L300 PolarHBondContact O-N 3.35Å
297	S	96.5	Very high	95.8	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.014	30%	0.296	C	S	.	.	H	α-helix	trans	-64.8	-42.3	177.1	-174.3	0	0	0	0	111.9	A293 K294 E295 R299 L300 V301 L309 V310	A293-S297 WeakPolarHBondContact O-CB 3.44Å; A293-S297 PolarHBondContact O-N 3.11Å; K294-S297 PolarHBondContact O-N 2.94Å; E295-S297 VanDerWaalsContact C-N 3.32Å; E295-S297 PolarHBondContact O-N 2.69Å; S297-R299 VanDerWaalsContact C-N 3.33Å; S297-R299 PolarHBondContact O-N 3.21Å; S297-L300 PolarHBondContact O-N 3.39Å; S297-V301 WeakPolarHBondContact O-CG2 3.4Å; S297-V301 PolarHBondContact O-N 3.03Å; S297-L309 WeakPolarHBondContact OG-CD1 3.29Å; S297-V310 WeakPolarHBondContact OG-CG2 3.4Å; S297-V310 PolarHBondContact OG-N 3.19Å
298	N	95.7	Very high	95.3	Very high	71 Å²	71	55.2 Å²	55.2	38%	0.38	30%	0.298	S	S	.	.	H	α-helix	trans	-57	-47.7	173.9	-77.4	-27.9	0	0	0	111.1	K294 E295 L300 V301 S302 L309	K294-N298 PolarHBondContact O-N 3.4Å; E295-N298 PolarHBondContact O-N 2.97Å; N298-L300 VanDerWaalsContact C-N 3.33Å; N298-L300 PolarHBondContact O-N 2.8Å; N298-V301 PolarHBondContact O-N 2.85Å; N298-S302 PolarHBondContact O-N 3.18Å; N298-S302 PolarHBondContact O-OG 2.69Å; N298-S302 VanDerWaalsContact O-OG 3.09Å; N298-L309 WeakPolarHBondContact OD1-CD1 3.46Å
299	R	96.7	Very high	95	Very high	136 Å²	136	50.3 Å²	50.3	51%	0.513	28%	0.282	S	S	.	.	H	α-helix	trans	-60	-41.1	179	-69.9	179.6	-167.3	146.8	17.4	112.8	E295 R296 S297 S302 S303	E295-R299 WeakPolarHBondContact O-CG 3.43Å; E295-R299 PolarHBondContact O-N 3.29Å; E295-R299 IonicContact OE2-NH2 3.08Å; E295-R299 PolarHBondContact OE2-NH2 3.41Å; E295-R299 VanDerWaalsContact OE2-NH2 3.08Å; R296-R299 PolarHBondContact O-N 3.38Å; S297-R299 VanDerWaalsContact C-N 3.33Å; S297-R299 PolarHBondContact O-N 3.21Å; R299-S302 PolarHBondContact O-N 2.91Å; R299-S303 WeakPolarHBondContact O-CB 3.34Å; R299-S303 PolarHBondContact O-N 2.88Å; R299-S303 PolarHBondContact O-OG 3.19Å; R299-S303 VanDerWaalsContact O-OG 3.06Å
300	L	96.5	Very high	94.8	Very high	9 Å²	9	50.4 Å²	50.4	5%	0.047	28%	0.282	C	S	.	.	H	α-helix	trans	-65.2	-40.2	177.6	-77.3	167.2	0	0	0	112.3	V255 R256 R296 S297 N298 S303 G304 D305 A306	V255-L300 HydrophobicContact CG1-CD1 3.92Å; R256-L300 HydrophobicContact CG-CD1 4.16Å; R256-L300 HydrophobicContact CG-CD2 4.42Å; R296-L300 HydrophobicContact CG-CD1 4.23Å; R296-L300 WeakPolarHBondContact O-CG 3.38Å; R296-L300 PolarHBondContact O-N 3.35Å; S297-L300 PolarHBondContact O-N 3.39Å; N298-L300 VanDerWaalsContact C-N 3.33Å; N298-L300 PolarHBondContact O-N 2.8Å; L300-S303 PolarHBondContact O-OG 2.87Å; L300-S303 VanDerWaalsContact O-OG 3.13Å; L300-G304 PolarHBondContact O-N 3.46Å; L300-D305 HydrophobicContact CB-CB 4.45Å; L300-D305 HydrophobicContact CD2-CB 3.53Å; L300-D305 PolarHBondContact O-N 2.98Å; L300-A306 HydrophobicContact CB-CB 3.8Å; L300-A306 PolarHBondContact O-N 3.47Å
301	V	93.9	Very high	94.6	Very high	40 Å²	40	50.4 Å²	50.4	24%	0.242	28%	0.282	C	S	.	.	H	α-helix	trans	-67.9	-45.3	176	174.8	0	0	0	0	110.3	S297 N298 S303 G304 A306 F308 L309	S297-V301 WeakPolarHBondContact O-CG2 3.4Å; S297-V301 PolarHBondContact O-N 3.03Å; N298-V301 PolarHBondContact O-N 2.85Å; V301-S303 VanDerWaalsContact C-N 3.25Å; V301-S303 PolarHBondContact O-N 3.42Å; V301-G304 PolarHBondContact O-N 3.42Å; V301-A306 HydrophobicContact CG2-CB 4.35Å; V301-F308 VanDerWaalsContact CG2-O 3.31Å; V301-F308 WeakPolarHBondContact CG2-O 3.27Å; V301-L309 HydrophobicContact CG2-CB 4.48Å
302	S	94.6	Very high	94.6	Very high	110 Å²	110	46.6 Å²	46.6	77%	0.769	27%	0.265	S	S	*	.	H	α-helix	trans	-63.6	-27.8	178.5	-60.2	0	0	0	0	113.7	N298 R299	N298-S302 PolarHBondContact O-N 3.18Å; N298-S302 PolarHBondContact O-OG 2.69Å; N298-S302 VanDerWaalsContact O-OG 3.09Å; R299-S302 PolarHBondContact O-N 2.91Å
303	S	95.4	Very high	94.5	Very high	70 Å²	70	45.9 Å²	45.9	49%	0.49	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-6.5	174.9	60.5	0	0	0	0	114.1	R299 L300 V301 D305	R299-S303 WeakPolarHBondContact O-CB 3.34Å; R299-S303 PolarHBondContact O-N 2.88Å; R299-S303 PolarHBondContact O-OG 3.19Å; R299-S303 VanDerWaalsContact O-OG 3.06Å; L300-S303 PolarHBondContact O-OG 2.87Å; L300-S303 VanDerWaalsContact O-OG 3.13Å; V301-S303 VanDerWaalsContact C-N 3.25Å; V301-S303 PolarHBondContact O-N 3.42Å; S303-D305 VanDerWaalsContact C-N 3.28Å; S303-D305 VanDerWaalsContact OG-CG 3.3Å; S303-D305 PolarHBondContact OG-OD2 2.88Å
304	G	93.1	Very high	94.5	Very high	63 Å²	63	45.9 Å²	45.9	65%	0.649	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	11.3	-173.8	0	0	0	0	0	114.4	L300 V301 A306	L300-G304 PolarHBondContact O-N 3.46Å; V301-G304 PolarHBondContact O-N 3.42Å; G304-A306 VanDerWaalsContact C-N 3.32Å
305	D	92.7	Very high	94.5	Very high	111 Å²	111	45 Å²	45	59%	0.594	26%	0.257	S	S	*	.	S	Bend	trans	-83.2	-7.6	177.9	-67.8	-45.5	0	0	0	113.1	L300 S303	L300-D305 HydrophobicContact CB-CB 4.45Å; L300-D305 HydrophobicContact CD2-CB 3.53Å; L300-D305 PolarHBondContact O-N 2.98Å; S303-D305 VanDerWaalsContact C-N 3.28Å; S303-D305 VanDerWaalsContact OG-CG 3.3Å; S303-D305 PolarHBondContact OG-OD2 2.88Å
306	A	90.2	Very high	94.5	Very high	13 Å²	13	41.1 Å²	41.1	11%	0.107	24%	0.238	C	C	.	.			trans	-147	138.2	176	0	0	0	0	0	111.8	L300 V301 G304 F308	L300-A306 HydrophobicContact CB-CB 3.8Å; L300-A306 PolarHBondContact O-N 3.47Å; V301-A306 HydrophobicContact CG2-CB 4.35Å; G304-A306 VanDerWaalsContact C-N 3.32Å; A306-F308 VanDerWaalsContact C-N 3.31Å; A306-F308 PolarHBondContact O-N 2.93Å
307	D	86.9	Confident	94.5	Very high	129 Å²	129	40.6 Å²	40.6	69%	0.69	24%	0.238	S	C	*	.	S	Bend	trans	-75.3	-19.4	-176.1	-49.8	-41.6	0	0	0	113.4	N409	D307-N409 WeakPolarHBondContact O-CB 3.33Å; D307-N409 PolarHBondContact O-ND2 3.19Å
308	F	88.1	Confident	94.6	Very high	16 Å²	16	40.6 Å²	40.6	7%	0.07	24%	0.238	C	C	.	.	S	Bend	trans	-147.8	152.4	-173.8	63.3	-94.3	0	0	0	113.1	E260 V301 A306 V310 K406	E260-F308 HydrophobicContact CG-CE2 4.32Å; E260-F308 HydrophobicContact CG-CZ 4.16Å; E260-F308 WeakPolarHBondContact OE1-CZ 3.45Å; V301-F308 VanDerWaalsContact CG2-O 3.31Å; V301-F308 WeakPolarHBondContact CG2-O 3.27Å; A306-F308 VanDerWaalsContact C-N 3.31Å; A306-F308 PolarHBondContact O-N 2.93Å; F308-V310 HydrophobicContact CE2-CG2 4.47Å; F308-K406 HydrophobicContact CB-CG 4.19Å; F308-K406 HydrophobicContact CD1-CG 4.16Å; F308-K406 HydrophobicContact CG-CG 4.34Å
309	L	92.8	Very high	94.7	Very high	36 Å²	36	37.3 Å²	37.3	19%	0.188	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-76.4	123.1	171.4	-179.8	57.4	0	0	0	109.9	K294 S297 N298 V301 R405	K294-L309 HydrophobicContact CD-CD1 4.26Å; S297-L309 WeakPolarHBondContact OG-CD1 3.29Å; N298-L309 WeakPolarHBondContact OD1-CD1 3.46Å; V301-L309 HydrophobicContact CG2-CB 4.48Å; L309-R405 WeakPolarHBondContact O-CD 3.37Å; L309-R405 PolarHBondContact O-NH1 3.02Å
310	V	93.7	Very high	94.7	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.024	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-59.8	136.4	175.5	177.9	0	0	0	0	110.4	V255 P259 S297 F308 R405	V255-V310 HydrophobicContact CG1-CG2 4.42Å; P259-V310 WeakPolarHBondContact O-CG2 3.4Å; S297-V310 WeakPolarHBondContact OG-CG2 3.4Å; S297-V310 PolarHBondContact OG-N 3.19Å; F308-V310 HydrophobicContact CE2-CG2 4.47Å; V310-R405 VanDerWaalsContact C-NH1 3.29Å; V310-R405 PolarHBondContact O-NH1 3.02Å
311	V	95	Very high	94.7	Very high	0 Å²	0	33 Å²	33	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	125.1	172.7	179.5	0	0	0	0	108.8	E260 V261 Y262 D340 I401 I402 R405	E260-V311 PolarHBondContact O-N 2.82Å; V261-V311 CarbonylContact C-O 3.58Å; V261-V311 VanDerWaalsContact CA-O 3.27Å; V261-V311 WeakPolarHBondContact CA-O 3.33Å; V261-V311 HydrophobicContact CG1-CB 4.34Å; V261-V311 HydrophobicContact CG1-CG1 4.39Å; V261-V311 WeakPolarHBondContact CG1-O 3.39Å; V261-V311 HydrophobicContact CG2-CB 4.23Å; Y262-V311 PolarHBondContact N-O 2.92Å; V311-D340 WeakPolarHBondContact CA-OD2 3.43Å; V311-D340 HydrophobicContact CG1-CB 3.85Å; V311-I401 HydrophobicContact CG2-CG2 4.08Å; V311-I402 HydrophobicContact CG2-CG1 4.08Å; V311-R405 VanDerWaalsContact CG2-NH1 3.31Å
312	T	96.3	Very high	94.9	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	136.9	175.9	44.3	0	0	0	0	111.3	Y262 K294 G338 V339 D340 C341	Y262-T312 WeakPolarHBondContact O-CA 3.37Å; K294-T312 HydrophobicContact CB-CG2 4.1Å; K294-T312 HydrophobicContact CD-CG2 4.13Å; T312-G338 PolarHBondContact OG1-O 3.25Å; T312-V339 WeakPolarHBondContact OG1-CA 3.32Å; T312-D340 PolarHBondContact N-OD2 3.18Å; T312-D340 WeakPolarHBondContact O-CA 3.28Å; T312-D340 WeakPolarHBondContact O-CB 3.33Å; T312-D340 PolarHBondContact O-N 3.15Å; T312-D340 PolarHBondContact OG1-N 3.1Å; T312-D340 PolarHBondContact OG1-OD2 2.82Å; T312-C341 PolarHBondContact O-N 2.85Å
313	K	96.6	Very high	95.1	Very high	7 Å²	7	34 Å²	34	3%	0.03	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	145.2	-176.4	-175.9	178.7	173.9	-165.3	0	112.7	E238 V261 Y262 A263 H264 L290 C341 S389 I398	E238-K313 IonicContact OE1-NZ 2.82Å; E238-K313 PolarHBondContact OE1-NZ 3.12Å; E238-K313 WeakPolarHBondContact OE2-CD 3.43Å; E238-K313 IonicContact OE2-NZ 3.78Å; E238-K313 PolarHBondContact OE2-NZ 3.01Å; V261-K313 HydrophobicContact CG1-CB 3.87Å; V261-K313 HydrophobicContact CG1-CD 4.23Å; Y262-K313 PolarHBondContact O-N 2.75Å; A263-K313 VanDerWaalsContact CA-O 3.23Å; A263-K313 WeakPolarHBondContact CA-O 3.5Å; A263-K313 HydrophobicContact CB-CB 3.97Å; A263-K313 HydrophobicContact CB-CG 4.45Å; H264-K313 PolarHBondContact N-O 2.95Å; L290-K313 WeakPolarHBondContact CD2-O 3.42Å; K313-C341 VanDerWaalsContact CA-O 3.27Å; K313-C341 WeakPolarHBondContact CA-O 3.29Å; K313-C341 HydrophobicContact CB-CB 4.15Å; K313-C341 HydrophobicContact CD-CB 4.43Å; K313-C341 HydrophobicContact CG-CB 3.93Å; K313-S389 VanDerWaalsContact CE-O 3.23Å; K313-S389 WeakPolarHBondContact CE-O 3.38Å; K313-S389 PolarHBondContact NZ-O 2.94Å; K313-I398 HydrophobicContact CD-CD1 4.23Å
314	S	97.5	Very high	95.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	177.3	173.7	-154.8	0	0	0	0	112.9	H264 N265 I266 C341 V342 T343	H264-S314 WeakPolarHBondContact O-CB 3.32Å; H264-S314 PolarHBondContact O-OG 3.19Å; N265-S314 WeakPolarHBondContact CA-OG 3.47Å; I266-S314 PolarHBondContact N-OG 3.26Å; S314-C341 PolarHBondContact N-O 3.02Å; S314-V342 WeakPolarHBondContact O-CA 3.42Å; S314-T343 PolarHBondContact O-N 3.12Å; S314-T343 PolarHBondContact O-OG1 3.44Å; S314-T343 VanDerWaalsContact O-OG1 3.09Å
315	S	97	Very high	95.4	Very high	7 Å²	7	40.5 Å²	40.5	5%	0.049	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	147.2	-178.9	-159.7	0	0	0	0	112.3	N265 I266 E267 T343	N265-S315 WeakPolarHBondContact OD1-CB 3.48Å; N265-S315 PolarHBondContact OD1-N 2.95Å; I266-S315 WeakPolarHBondContact CG1-O 3.5Å; E267-S315 PolarHBondContact N-O 3.41Å; S315-T343 CarbonylContact C-O 3.55Å; S315-T343 VanDerWaalsContact CA-O 3.26Å; S315-T343 WeakPolarHBondContact CA-O 3.47Å; S315-T343 WeakPolarHBondContact CA-OG1 3.5Å; S315-T343 WeakPolarHBondContact CB-OG1 3.45Å; S315-T343 PolarHBondContact OG-O 3.42Å; S315-T343 PolarHBondContact OG-OG1 2.92Å
316	I	98	Very high	95.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	127.6	170.9	-55.9	176.7	0	0	0	108.3	I266 L318 A330 L331 L334 T343 I344 G345	I266-I316 HydrophobicContact CD1-CD1 4.01Å; I266-I316 HydrophobicContact CD1-CG1 3.82Å; I266-I316 HydrophobicContact CG1-CG1 3.97Å; I316-L318 HydrophobicContact CG2-CD2 3.97Å; I316-A330 HydrophobicContact CD1-CB 3.89Å; I316-L331 HydrophobicContact CD1-CD2 3.94Å; I316-L331 HydrophobicContact CD1-CG 4.35Å; I316-L334 HydrophobicContact CD1-CD1 4.1Å; I316-L334 HydrophobicContact CG1-CD1 4.38Å; I316-T343 PolarHBondContact N-O 3.04Å; I316-I344 WeakPolarHBondContact O-CA 3.04Å; I316-G345 PolarHBondContact O-N 3.28Å; I316-G345 VanDerWaalsContact O-N 3.07Å
317	M	97.5	Very high	96.1	Very high	28 Å²	28	37 Å²	37	14%	0.138	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	132.2	169	-67.4	175.5	-71.4	0	0	110.3	F171 E267 L320 G345 Y347	F171-M317 HydrophobicContact CB-CE 4.48Å; F171-M317 HydrophobicContact CD1-CE 4.15Å; F171-M317 HydrophobicContact CD2-CE 3.57Å; F171-M317 HydrophobicContact CD2-SD 4.01Å; F171-M317 HydrophobicContact CE1-CE 4.24Å; F171-M317 HydrophobicContact CE2-CE 3.68Å; F171-M317 HydrophobicContact CE2-SD 4.35Å; F171-M317 HydrophobicContact CG-CE 3.81Å; F171-M317 HydrophobicContact CZ-CE 4.02Å; E267-M317 HydrophobicContact CB-CE 3.75Å; E267-M317 HydrophobicContact CG-CE 4.33Å; E267-M317 PolarHBondContact O-N 2.73Å; E267-M317 WeakPolarHBondContact OE2-CE 3.45Å; M317-L320 HydrophobicContact CB-CD1 4.17Å; M317-G345 CarbonylContact C-O 3.48Å; M317-G345 WeakPolarHBondContact CA-O 3.28Å; M317-Y347 HydrophobicContact SD-CD2 4.24Å
318	L	98.2	Very high	96.6	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	159.5	176.4	-55	-174.4	0	0	0	111.9	I316 E322 V327 I344 G345 Q346 Y347 I361 F366	I316-L318 HydrophobicContact CG2-CD2 3.97Å; L318-E322 WeakPolarHBondContact CA-OE1 3.37Å; L318-E322 VanDerWaalsContact CB-OE1 3.32Å; L318-E322 WeakPolarHBondContact CB-OE1 3.45Å; L318-E322 HydrophobicContact CD2-CG 3.92Å; L318-V327 HydrophobicContact CD2-CG1 4.19Å; L318-V327 HydrophobicContact CD2-CG2 3.72Å; L318-I344 HydrophobicContact CD1-CG2 3.6Å; L318-I344 HydrophobicContact CD2-CG2 4.33Å; L318-I344 HydrophobicContact CG-CG2 3.79Å; L318-G345 PolarHBondContact N-O 2.72Å; L318-Q346 PolarHBondContact O-NE2 3.03Å; L318-Y347 VanDerWaalsContact O-CB 3.26Å; L318-Y347 WeakPolarHBondContact O-CB 3.41Å; L318-Y347 PolarHBondContact O-N 2.9Å; L318-I361 HydrophobicContact CB-CG1 3.81Å; L318-I361 HydrophobicContact CD1-CG2 4.48Å; L318-F366 HydrophobicContact CD1-CD1 4.42Å; L318-F366 HydrophobicContact CD1-CE1 3.92Å; L318-F366 HydrophobicContact CD1-CZ 4.38Å; L318-F366 HydrophobicContact CG-CE1 4.45Å
319	G	97.4	Very high	97.1	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.01	18%	0.182	C	C	.	.	S	Bend	trans	90.2	15	-177.9	0	0	0	0	0	114.3	E322 K358 E359	G319-E322 PolarHBondContact N-OE1 3Å; G319-E322 PolarHBondContact N-OE2 2.96Å; G319-K358 PolarHBondContact O-N 2.91Å; G319-E359 WeakPolarHBondContact CA-O 3.34Å
320	L	97.2	Very high	97.4	Very high	12 Å²	12	34.6 Å²	34.6	6%	0.063	17%	0.173	C	C	.	.	S	Bend	trans	-94.2	-7.1	174.8	-71.2	165.8	0	0	0	112.5	L272 V276 M317 E322 Y347 L355 K358	L272-L320 HydrophobicContact CD1-CB 4.14Å; V276-L320 HydrophobicContact CG1-CD1 3.86Å; V276-L320 HydrophobicContact CG2-CB 4.35Å; V276-L320 HydrophobicContact CG2-CD1 3.95Å; V276-L320 HydrophobicContact CG2-CD2 4.35Å; V276-L320 HydrophobicContact CG2-CG 4.46Å; M317-L320 HydrophobicContact CB-CD1 4.17Å; L320-E322 WeakPolarHBondContact CA-OE2 2.88Å; L320-E322 PolarHBondContact N-OE2 3.46Å; L320-Y347 HydrophobicContact CD2-CD1 3.38Å; L320-Y347 HydrophobicContact CD2-CD2 4.22Å; L320-Y347 HydrophobicContact CD2-CE1 3.71Å; L320-Y347 HydrophobicContact CD2-CG 3.66Å; L320-Y347 HydrophobicContact CG-CD1 4.04Å; L320-Y347 HydrophobicContact CG-CG 3.99Å; L320-L355 HydrophobicContact CD2-CB 4.37Å; L320-L355 HydrophobicContact CD2-CD1 4.02Å; L320-K358 VanDerWaalsContact O-CG 3.3Å; L320-K358 WeakPolarHBondContact O-CG 3.27Å
321	G	97.2	Very high	97.6	Very high	43 Å²	43	34.4 Å²	34.4	44%	0.443	17%	0.172	S	C	.	.	S	Bend	trans	111.9	10	178	0	0	0	0	0	113.7
322	E	98.2	Very high	97.8	Very high	23 Å²	23	39 Å²	39	11%	0.107	19%	0.192	C	C	.	.			trans	-63.6	143.2	174.7	70.6	-63	156.5	0	0	111.3	V269 L272 L318 G319 L320 V327	V269-E322 HydrophobicContact CB-CB 4.42Å; V269-E322 HydrophobicContact CG1-CB 3.88Å; V269-E322 HydrophobicContact CG1-CG 4.5Å; V269-E322 HydrophobicContact CG2-CB 3.62Å; L272-E322 HydrophobicContact CD1-CB 3.99Å; L318-E322 WeakPolarHBondContact CA-OE1 3.37Å; L318-E322 VanDerWaalsContact CB-OE1 3.32Å; L318-E322 WeakPolarHBondContact CB-OE1 3.45Å; L318-E322 HydrophobicContact CD2-CG 3.92Å; G319-E322 PolarHBondContact N-OE1 3Å; G319-E322 PolarHBondContact N-OE2 2.96Å; L320-E322 WeakPolarHBondContact CA-OE2 2.88Å; L320-E322 PolarHBondContact N-OE2 3.46Å; E322-V327 HydrophobicContact CB-CG2 4.19Å; E322-V327 HydrophobicContact CG-CG2 3.48Å; E322-V327 VanDerWaalsContact CG-CG2 3.48Å
323	K	97.9	Very high	97.9	Very high	148 Å²	148	40.1 Å²	40.1	64%	0.643	20%	0.198	S	C	*	.			trans	-89.6	151.2	172.9	-59.9	171.1	-175.6	172.8	0	109.9	K325 E326 V327	K323-K325 VanDerWaalsContact C-N 3.27Å; K323-K325 PolarHBondContact O-N 3.46Å; K323-E326 HydrophobicContact CB-CG 4.17Å; K323-E326 VanDerWaalsContact CB-OE2 3.27Å; K323-E326 WeakPolarHBondContact CB-OE2 3.3Å; K323-E326 WeakPolarHBondContact CG-OE2 3.48Å; K323-E326 PolarHBondContact N-OE2 3.09Å; K323-E326 WeakPolarHBondContact O-CA 3.15Å; K323-E326 WeakPolarHBondContact O-CB 3.32Å; K323-E326 PolarHBondContact O-N 2.99Å; K323-V327 PolarHBondContact O-N 3.28Å; K323-V327 VanDerWaalsContact O-N 3.08Å
324	E	97.3	Very high	98	Very high	96 Å²	96	39.8 Å²	39.8	45%	0.449	20%	0.196	S	C	.	.	H	α-helix	trans	-50.7	-44.5	175.8	177.9	173.1	155.8	0	0	113.4	E326 V327 M328 K365 W369	E324-E326 PolarHBondContact O-N 3.45Å; E324-V327 PolarHBondContact O-N 3.29Å; E324-M328 PolarHBondContact O-N 3.23Å; E324-K365 IonicContact OE1-NZ 3.97Å; E324-K365 PolarHBondContact OE1-NZ 2.74Å; E324-K365 WeakPolarHBondContact OE2-CE 3.38Å; E324-K365 IonicContact OE2-NZ 2.92Å; E324-K365 PolarHBondContact OE2-NZ 3.36Å; E324-W369 HydrophobicContact CB-CZ2 4.34Å; E324-W369 HydrophobicContact CG-CH2 3.74Å; E324-W369 HydrophobicContact CG-CZ2 3.81Å; E324-W369 WeakPolarHBondContact O-CH2 3.4Å
325	K	98.1	Very high	98.1	Very high	174 Å²	174	43 Å²	43	76%	0.757	21%	0.208	S	C	*	.	H	α-helix	trans	-59.8	-35.7	177	-67.5	-173.6	179.7	-177.2	0	112.5	K323 I329	K323-K325 VanDerWaalsContact C-N 3.27Å; K323-K325 PolarHBondContact O-N 3.46Å; K325-I329 WeakPolarHBondContact O-CD1 3.22Å; K325-I329 VanDerWaalsContact O-CG1 3.28Å; K325-I329 WeakPolarHBondContact O-CG1 3.12Å; K325-I329 PolarHBondContact O-N 2.88Å; K325-I329 VanDerWaalsContact O-N 3.09Å
326	E	98.5	Very high	98.1	Very high	48 Å²	48	48.8 Å²	48.8	22%	0.224	23%	0.234	C	C	.	.	H	α-helix	trans	-73.1	-37	179.4	-60.4	174.7	112.2	0	0	111.2	V269 S271 K323 E324 I329 A330	V269-E326 HydrophobicContact CB-CB 3.8Å; V269-E326 VanDerWaalsContact CG1-C 3.47Å; V269-E326 HydrophobicContact CG1-CB 3.67Å; V269-E326 HydrophobicContact CG2-CB 3.99Å; S271-E326 WeakPolarHBondContact CB-OE1 3.44Å; S271-E326 PolarHBondContact OG-OE1 3.35Å; K323-E326 HydrophobicContact CB-CG 4.17Å; K323-E326 VanDerWaalsContact CB-OE2 3.27Å; K323-E326 WeakPolarHBondContact CB-OE2 3.3Å; K323-E326 WeakPolarHBondContact CG-OE2 3.48Å; K323-E326 PolarHBondContact N-OE2 3.09Å; K323-E326 WeakPolarHBondContact O-CA 3.15Å; K323-E326 WeakPolarHBondContact O-CB 3.32Å; K323-E326 PolarHBondContact O-N 2.99Å; E324-E326 PolarHBondContact O-N 3.45Å; E326-I329 PolarHBondContact O-N 3.49Å; E326-A330 WeakPolarHBondContact O-CB 3.31Å; E326-A330 PolarHBondContact O-N 3.12Å
327	V	98.5	Very high	98.1	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.012	24%	0.238	C	C	.	.	H	α-helix	trans	-65	-43.3	174.1	179.9	0	0	0	0	110.8	V269 L318 E322 K323 E324 I329 A330 L331 W369	V269-V327 HydrophobicContact CG1-CG2 4.02Å; L318-V327 HydrophobicContact CD2-CG1 4.19Å; L318-V327 HydrophobicContact CD2-CG2 3.72Å; E322-V327 HydrophobicContact CB-CG2 4.19Å; E322-V327 HydrophobicContact CG-CG2 3.48Å; E322-V327 VanDerWaalsContact CG-CG2 3.48Å; K323-V327 PolarHBondContact O-N 3.28Å; K323-V327 VanDerWaalsContact O-N 3.08Å; E324-V327 PolarHBondContact O-N 3.29Å; V327-I329 VanDerWaalsContact C-N 3.34Å; V327-I329 PolarHBondContact O-N 2.99Å; V327-A330 PolarHBondContact O-N 2.92Å; V327-A330 VanDerWaalsContact O-N 3.15Å; V327-L331 HydrophobicContact CG1-CD1 4.42Å; V327-L331 WeakPolarHBondContact O-CG 3.25Å; V327-L331 PolarHBondContact O-N 2.97Å; V327-W369 HydrophobicContact CB-CH2 3.59Å; V327-W369 HydrophobicContact CB-CZ2 3.61Å; V327-W369 HydrophobicContact CB-CZ3 4.22Å; V327-W369 HydrophobicContact CG1-CD2 3.99Å; V327-W369 HydrophobicContact CG1-CE3 3.99Å; V327-W369 HydrophobicContact CG1-CH2 3.61Å; V327-W369 HydrophobicContact CG1-CZ2 3.56Å; V327-W369 HydrophobicContact CG1-CZ3 3.81Å; V327-W369 HydrophobicContact CG2-CZ2 4.27Å
328	M	98.4	Very high	98	Very high	40 Å²	40	49 Å²	49	20%	0.197	24%	0.243	C	C	.	.	H	α-helix	trans	-59	-43.5	174.4	178.3	64.7	70.5	0	0	112.1	E324 A330 L331 K332 W369 I372 L376	E324-M328 PolarHBondContact O-N 3.23Å; M328-A330 VanDerWaalsContact C-N 3.34Å; M328-L331 PolarHBondContact O-N 3.35Å; M328-K332 WeakPolarHBondContact O-CG 3.49Å; M328-K332 PolarHBondContact O-N 3.22Å; M328-K332 VanDerWaalsContact O-N 3.11Å; M328-W369 HydrophobicContact CB-CH2 4.4Å; M328-W369 HydrophobicContact CB-CZ3 4.33Å; M328-W369 HydrophobicContact CE-CZ3 4.22Å; M328-I372 HydrophobicContact CE-CB 4.37Å; M328-I372 HydrophobicContact CE-CD1 3.86Å; M328-I372 HydrophobicContact CE-CG1 3.89Å; M328-I372 HydrophobicContact CE-CG2 3.51Å; M328-I372 HydrophobicContact SD-CG2 3.7Å; M328-L376 HydrophobicContact SD-CD1 4.49Å
329	I	98.5	Very high	98	Very high	90 Å²	90	48.9 Å²	48.9	46%	0.462	24%	0.242	S	C	.	.	H	α-helix	trans	-60.3	-47.1	174.2	-70.6	163.8	0	0	0	109.7	K325 E326 V327 L331 K332 D333	K325-I329 WeakPolarHBondContact O-CD1 3.22Å; K325-I329 VanDerWaalsContact O-CG1 3.28Å; K325-I329 WeakPolarHBondContact O-CG1 3.12Å; K325-I329 PolarHBondContact O-N 2.88Å; K325-I329 VanDerWaalsContact O-N 3.09Å; E326-I329 PolarHBondContact O-N 3.49Å; V327-I329 VanDerWaalsContact C-N 3.34Å; V327-I329 PolarHBondContact O-N 2.99Å; I329-L331 VanDerWaalsContact C-N 3.32Å; I329-L331 PolarHBondContact O-N 3.14Å; I329-K332 WeakPolarHBondContact O-CB 3.32Å; I329-K332 PolarHBondContact O-N 2.95Å; I329-D333 WeakPolarHBondContact CG2-OD2 3.27Å; I329-D333 VanDerWaalsContact O-CG 3.23Å; I329-D333 PolarHBondContact O-N 2.99Å
330	A	98.7	Very high	97.9	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-37.8	-179.5	0	0	0	0	0	114.1	I266 V269 Y283 I316 E326 V327 M328 D333 L334	I266-A330 HydrophobicContact CD1-CB 4.1Å; V269-A330 HydrophobicContact CG1-CB 4.35Å; Y283-A330 WeakPolarHBondContact OH-CA 3.23Å; Y283-A330 WeakPolarHBondContact OH-CB 3.47Å; I316-A330 HydrophobicContact CD1-CB 3.89Å; E326-A330 WeakPolarHBondContact O-CB 3.31Å; E326-A330 PolarHBondContact O-N 3.12Å; V327-A330 PolarHBondContact O-N 2.92Å; V327-A330 VanDerWaalsContact O-N 3.15Å; M328-A330 VanDerWaalsContact C-N 3.34Å; A330-D333 PolarHBondContact O-N 3.48Å; A330-L334 WeakPolarHBondContact O-CB 3.45Å; A330-L334 VanDerWaalsContact O-CG 3.28Å; A330-L334 WeakPolarHBondContact O-CG 3.4Å; A330-L334 PolarHBondContact O-N 2.99Å
331	L	98.6	Very high	97.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.1	-40.7	173.4	-67.5	174.4	0	0	0	112	I316 V327 M328 I329 R335 V342 I344 W369 I372 L376 F378	I316-L331 HydrophobicContact CD1-CD2 3.94Å; I316-L331 HydrophobicContact CD1-CG 4.35Å; V327-L331 HydrophobicContact CG1-CD1 4.42Å; V327-L331 WeakPolarHBondContact O-CG 3.25Å; V327-L331 PolarHBondContact O-N 2.97Å; M328-L331 PolarHBondContact O-N 3.35Å; I329-L331 VanDerWaalsContact C-N 3.32Å; I329-L331 PolarHBondContact O-N 3.14Å; L331-R335 WeakPolarHBondContact O-CG 3.49Å; L331-R335 PolarHBondContact O-N 3.19Å; L331-R335 VanDerWaalsContact O-N 3.09Å; L331-V342 HydrophobicContact CD2-CG1 4.11Å; L331-V342 HydrophobicContact CD2-CG2 3.98Å; L331-I344 HydrophobicContact CD1-CD1 4.23Å; L331-I344 HydrophobicContact CD2-CD1 3.91Å; L331-W369 HydrophobicContact CD1-CE3 3.6Å; L331-W369 HydrophobicContact CD1-CZ3 3.91Å; L331-I372 HydrophobicContact CD1-CG2 3.93Å; L331-L376 HydrophobicContact CB-CD1 3.6Å; L331-F378 HydrophobicContact CB-CE2 4.3Å; L331-F378 HydrophobicContact CD2-CE2 4.05Å; L331-F378 HydrophobicContact CD2-CZ 4.37Å
332	K	98.6	Very high	97.8	Very high	97 Å²	97	46.9 Å²	46.9	42%	0.422	22%	0.221	S	C	.	.	H	α-helix	trans	-64.4	-44.4	175.3	-71.7	178.3	178.9	-172.3	0	111.9	M328 I329 L334 R335 Q336 L376	M328-K332 WeakPolarHBondContact O-CG 3.49Å; M328-K332 PolarHBondContact O-N 3.22Å; M328-K332 VanDerWaalsContact O-N 3.11Å; I329-K332 WeakPolarHBondContact O-CB 3.32Å; I329-K332 PolarHBondContact O-N 2.95Å; K332-L334 VanDerWaalsContact C-N 3.35Å; K332-L334 PolarHBondContact O-N 3.01Å; K332-R335 PolarHBondContact O-N 3.42Å; K332-Q336 WeakPolarHBondContact O-CB 3.46Å; K332-Q336 PolarHBondContact O-N 3.37Å; K332-L376 HydrophobicContact CG-CD1 4.27Å; K332-L376 HydrophobicContact CG-CD2 3.91Å
333	D	98.7	Very high	97.7	Very high	23 Å²	23	46 Å²	46	12%	0.123	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-41.8	178.9	-62.7	-20.2	0	0	0	111.5	Y283 L287 I329 A330 R335 Q336 A337	Y283-D333 HydrophobicContact CE1-CB 4.46Å; Y283-D333 VanDerWaalsContact CE1-OD2 3.28Å; Y283-D333 WeakPolarHBondContact CE1-OD2 3.37Å; Y283-D333 PolarHBondContact OH-OD2 3.09Å; L287-D333 HydrophobicContact CD1-CB 3.88Å; L287-D333 HydrophobicContact CD2-CB 4.38Å; I329-D333 WeakPolarHBondContact CG2-OD2 3.27Å; I329-D333 VanDerWaalsContact O-CG 3.23Å; I329-D333 PolarHBondContact O-N 2.99Å; A330-D333 PolarHBondContact O-N 3.48Å; D333-R335 PolarHBondContact O-N 2.93Å; D333-Q336 PolarHBondContact O-N 3.4Å; D333-A337 WeakPolarHBondContact O-CB 3.32Å; D333-A337 PolarHBondContact O-N 3.3Å
334	L	98.6	Very high	97.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.8	-44.9	173.8	-76.9	172.4	0	0	0	111.6	I266 L287 L290 I316 A330 K332 A337 G338 V339 V342 F378	I266-L334 HydrophobicContact CD1-CD1 3.73Å; I266-L334 HydrophobicContact CD1-CD2 4Å; I266-L334 HydrophobicContact CD1-CG 3.83Å; I266-L334 HydrophobicContact CG1-CD1 4.29Å; I266-L334 HydrophobicContact CG1-CD2 4.25Å; I266-L334 HydrophobicContact CG2-CD2 3.93Å; L287-L334 HydrophobicContact CD2-CD2 3.79Å; L287-L334 HydrophobicContact CD2-CG 4.28Å; L290-L334 HydrophobicContact CD1-CD2 3.96Å; I316-L334 HydrophobicContact CD1-CD1 4.1Å; I316-L334 HydrophobicContact CG1-CD1 4.38Å; A330-L334 WeakPolarHBondContact O-CB 3.45Å; A330-L334 VanDerWaalsContact O-CG 3.28Å; A330-L334 WeakPolarHBondContact O-CG 3.4Å; A330-L334 PolarHBondContact O-N 2.99Å; K332-L334 VanDerWaalsContact C-N 3.35Å; K332-L334 PolarHBondContact O-N 3.01Å; L334-A337 PolarHBondContact O-N 3.02Å; L334-G338 PolarHBondContact O-N 3.31Å; L334-V339 HydrophobicContact CB-CB 4.23Å; L334-V339 HydrophobicContact CB-CG2 4.29Å; L334-V339 HydrophobicContact CD2-CB 4.47Å; L334-V339 HydrophobicContact CD2-CG2 3.89Å; L334-V339 WeakPolarHBondContact O-CB 3.38Å; L334-V339 WeakPolarHBondContact O-CG2 3.41Å; L334-V339 PolarHBondContact O-N 3.28Å; L334-V342 HydrophobicContact CD1-CG2 3.82Å; L334-F378 HydrophobicContact CB-CE1 4.17Å; L334-F378 HydrophobicContact CB-CZ 3.82Å; L334-F378 HydrophobicContact CD1-CZ 4.48Å
335	R	98.1	Very high	97.6	Very high	68 Å²	68	34.5 Å²	34.5	26%	0.257	17%	0.167	S	C	.	.	H	α-helix	trans	-63.4	-42.9	175.5	-71.1	-56.3	-60.3	118	-1.6	112.5	L331 K332 D333 A337 G338 V339 L376 G377 F378	L331-R335 WeakPolarHBondContact O-CG 3.49Å; L331-R335 PolarHBondContact O-N 3.19Å; L331-R335 VanDerWaalsContact O-N 3.09Å; K332-R335 PolarHBondContact O-N 3.42Å; D333-R335 PolarHBondContact O-N 2.93Å; R335-A337 VanDerWaalsContact C-N 3.26Å; R335-A337 PolarHBondContact O-N 3.33Å; R335-G338 WeakPolarHBondContact O-CA 3.29Å; R335-G338 PolarHBondContact O-N 2.99Å; R335-V339 PolarHBondContact NH1-O 3.34Å; R335-L376 HydrophobicContact CG-CB 4.02Å; R335-L376 PolarHBondContact NE-O 3.32Å; R335-L376 VanDerWaalsContact NE-O 3.11Å; R335-G377 VanDerWaalsContact CZ-O 3.29Å; R335-G377 PolarHBondContact NE-O 2.9Å; R335-G377 PolarHBondContact NH2-O 2.9Å; R335-F378 VanDerWaalsContact CD-CD2 3.47Å; R335-F378 VanDerWaalsContact CD-CE2 3.43Å; R335-F378 VanDerWaalsContact CD-CG 3.4Å; R335-F378 HydrophobicContact CG-CD1 4.38Å; R335-F378 HydrophobicContact CG-CD2 3.98Å; R335-F378 HydrophobicContact CG-CE1 3.96Å; R335-F378 HydrophobicContact CG-CE2 3.5Å; R335-F378 HydrophobicContact CG-CG 4.39Å; R335-F378 HydrophobicContact CG-CZ 3.49Å; R335-F378 VanDerWaalsContact CG-CZ 3.49Å
336	Q	97.8	Very high	97.5	Very high	128 Å²	128	26.4 Å²	26.4	60%	0.598	13%	0.132	S	C	*	.	H	α-helix	trans	-61.1	-36.7	176.9	-172.2	176.2	14.6	0	0	111.6	K332 D333 G338	K332-Q336 WeakPolarHBondContact O-CB 3.46Å; K332-Q336 PolarHBondContact O-N 3.37Å; D333-Q336 PolarHBondContact O-N 3.4Å; Q336-G338 PolarHBondContact O-N 3.43Å
337	A	97.8	Very high	97.4	Very high	10 Å²	10	24.3 Å²	24.3	8%	0.083	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	5.7	172.7	0	0	0	0	0	114.1	L287 E291 D333 L334 R335 V339	L287-A337 HydrophobicContact CB-CB 4.46Å; L287-A337 HydrophobicContact CD2-CB 4.29Å; E291-A337 HydrophobicContact CB-CB 4.44Å; D333-A337 WeakPolarHBondContact O-CB 3.32Å; D333-A337 PolarHBondContact O-N 3.3Å; L334-A337 PolarHBondContact O-N 3.02Å; R335-A337 VanDerWaalsContact C-N 3.26Å; R335-A337 PolarHBondContact O-N 3.33Å; A337-V339 HydrophobicContact CB-CG2 4.43Å
338	G	96.5	Very high	97	Very high	22 Å²	22	26.3 Å²	26.3	23%	0.227	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	23.3	177	0	0	0	0	0	114.6	T312 L334 R335 Q336 D340	T312-G338 PolarHBondContact OG1-O 3.25Å; L334-G338 PolarHBondContact O-N 3.31Å; R335-G338 WeakPolarHBondContact O-CA 3.29Å; R335-G338 PolarHBondContact O-N 2.99Å; Q336-G338 PolarHBondContact O-N 3.43Å; G338-D340 PolarHBondContact O-N 3.36Å
339	V	97.7	Very high	96.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.135	C	C	.	.			trans	-74.1	119.6	-180	179.4	0	0	0	0	110.8	L290 T312 L334 R335 A337 C341 F378	L290-V339 HydrophobicContact CB-CG2 3.88Å; L290-V339 HydrophobicContact CD1-CG2 3.63Å; L290-V339 HydrophobicContact CD2-CG2 4.49Å; L290-V339 HydrophobicContact CG-CG2 4.2Å; T312-V339 WeakPolarHBondContact OG1-CA 3.32Å; L334-V339 HydrophobicContact CB-CB 4.23Å; L334-V339 HydrophobicContact CB-CG2 4.29Å; L334-V339 HydrophobicContact CD2-CB 4.47Å; L334-V339 HydrophobicContact CD2-CG2 3.89Å; L334-V339 WeakPolarHBondContact O-CB 3.38Å; L334-V339 WeakPolarHBondContact O-CG2 3.41Å; L334-V339 PolarHBondContact O-N 3.28Å; R335-V339 PolarHBondContact NH1-O 3.34Å; A337-V339 HydrophobicContact CB-CG2 4.43Å; V339-C341 VanDerWaalsContact CG1-O 3.28Å; V339-C341 WeakPolarHBondContact CG1-O 3.26Å; V339-F378 HydrophobicContact CB-CE1 4.21Å; V339-F378 HydrophobicContact CG1-CE1 4.11Å; V339-F378 WeakPolarHBondContact O-CD1 3.46Å; V339-F378 WeakPolarHBondContact O-CE1 3.44Å
340	D	95.9	Very high	96.3	Very high	14 Å²	14	23.8 Å²	23.8	8%	0.075	12%	0.123	C	C	.	.			trans	-75.4	-39.5	-175.5	-64.6	-50.6	0	0	0	113.1	K294 V311 T312 G338 F378 L379 R405	K294-D340 IonicContact NZ-OD1 3.66Å; K294-D340 PolarHBondContact NZ-OD1 2.74Å; K294-D340 IonicContact NZ-OD2 2.97Å; K294-D340 PolarHBondContact NZ-OD2 3.02Å; V311-D340 WeakPolarHBondContact CA-OD2 3.43Å; V311-D340 HydrophobicContact CG1-CB 3.85Å; T312-D340 PolarHBondContact N-OD2 3.18Å; T312-D340 WeakPolarHBondContact O-CA 3.28Å; T312-D340 WeakPolarHBondContact O-CB 3.33Å; T312-D340 PolarHBondContact O-N 3.15Å; T312-D340 PolarHBondContact OG1-N 3.1Å; T312-D340 PolarHBondContact OG1-OD2 2.82Å; G338-D340 PolarHBondContact O-N 3.36Å; D340-F378 CarbonylContact O-C 3.6Å; D340-L379 HydrophobicContact CB-CD1 3.88Å; D340-L379 HydrophobicContact CB-CG 4.15Å; D340-L379 PolarHBondContact O-N 3.45Å; D340-R405 VanDerWaalsContact CG-NH2 3.28Å; D340-R405 IonicContact OD1-NH2 3.28Å; D340-R405 PolarHBondContact OD1-NH2 3.38Å; D340-R405 IonicContact OD2-CZ 3.27Å; D340-R405 IonicContact OD2-NH1 3.47Å; D340-R405 IonicContact OD2-NH2 3.79Å; D340-R405 PolarHBondContact OD2-NH2 2.98Å
341	C	95.3	Very high	95.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145.1	-174.4	-58.3	0	0	0	0	112.1	T312 K313 S314 V339 Y380	T312-C341 PolarHBondContact O-N 2.85Å; K313-C341 VanDerWaalsContact CA-O 3.27Å; K313-C341 WeakPolarHBondContact CA-O 3.29Å; K313-C341 HydrophobicContact CB-CB 4.15Å; K313-C341 HydrophobicContact CD-CB 4.43Å; K313-C341 HydrophobicContact CG-CB 3.93Å; S314-C341 PolarHBondContact N-O 3.02Å; V339-C341 VanDerWaalsContact CG1-O 3.28Å; V339-C341 WeakPolarHBondContact CG1-O 3.26Å; C341-Y380 WeakPolarHBondContact CA-O 3.39Å
342	V	96.2	Very high	95.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	143.9	175.4	70.7	0	0	0	0	111.9	S314 L331 L334 I344 F378 Y380 T381 A382	S314-V342 WeakPolarHBondContact O-CA 3.42Å; L331-V342 HydrophobicContact CD2-CG1 4.11Å; L331-V342 HydrophobicContact CD2-CG2 3.98Å; L334-V342 HydrophobicContact CD1-CG2 3.82Å; V342-I344 HydrophobicContact CG2-CG1 4.38Å; V342-F378 HydrophobicContact CB-CD1 4Å; V342-F378 HydrophobicContact CB-CD2 4.49Å; V342-F378 HydrophobicContact CB-CE1 3.76Å; V342-F378 HydrophobicContact CB-CE2 4.3Å; V342-F378 HydrophobicContact CB-CG 4.37Å; V342-F378 HydrophobicContact CB-CZ 3.93Å; V342-F378 HydrophobicContact CG1-CD1 3.95Å; V342-F378 HydrophobicContact CG1-CD2 3.66Å; V342-F378 HydrophobicContact CG1-CE1 3.98Å; V342-F378 HydrophobicContact CG1-CE2 3.72Å; V342-F378 HydrophobicContact CG1-CG 3.8Å; V342-F378 HydrophobicContact CG1-CZ 3.87Å; V342-Y380 PolarHBondContact N-O 3.48Å; V342-T381 HydrophobicContact CG1-CG2 3.85Å; V342-T381 WeakPolarHBondContact O-CA 3.42Å; V342-A382 PolarHBondContact O-N 3.4Å
343	T	95.8	Very high	95.1	Very high	4 Å²	4	41.9 Å²	41.9	3%	0.025	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	135.9	173.1	53.9	0	0	0	0	109.9	S314 S315 I316 A382 V387	S314-T343 PolarHBondContact O-N 3.12Å; S314-T343 PolarHBondContact O-OG1 3.44Å; S314-T343 VanDerWaalsContact O-OG1 3.09Å; S315-T343 CarbonylContact C-O 3.55Å; S315-T343 VanDerWaalsContact CA-O 3.26Å; S315-T343 WeakPolarHBondContact CA-O 3.47Å; S315-T343 WeakPolarHBondContact CA-OG1 3.5Å; S315-T343 WeakPolarHBondContact CB-OG1 3.45Å; S315-T343 PolarHBondContact OG-O 3.42Å; S315-T343 PolarHBondContact OG-OG1 2.92Å; I316-T343 PolarHBondContact N-O 3.04Å; T343-A382 CarbonylContact C-O 3.55Å; T343-A382 VanDerWaalsContact CA-O 3.25Å; T343-A382 WeakPolarHBondContact CA-O 3.34Å; T343-A382 HydrophobicContact CG2-CB 4.14Å; T343-V387 HydrophobicContact CG2-CG1 4.27Å
344	I	97.3	Very high	94.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	112.6	-178.6	-53.9	171.4	0	0	0	107.8	I316 L318 L331 V342 F366 W369 T381 A382 S383 G384	I316-I344 WeakPolarHBondContact O-CA 3.04Å; L318-I344 HydrophobicContact CD1-CG2 3.6Å; L318-I344 HydrophobicContact CD2-CG2 4.33Å; L318-I344 HydrophobicContact CG-CG2 3.79Å; L331-I344 HydrophobicContact CD1-CD1 4.23Å; L331-I344 HydrophobicContact CD2-CD1 3.91Å; V342-I344 HydrophobicContact CG2-CG1 4.38Å; I344-F366 HydrophobicContact CG2-CD1 4.22Å; I344-F366 HydrophobicContact CG2-CE1 4.26Å; I344-W369 HydrophobicContact CD1-CB 3.7Å; I344-W369 HydrophobicContact CD1-CG 4.34Å; I344-T381 HydrophobicContact CD1-CG2 4.35Å; I344-A382 PolarHBondContact N-O 3.48Å; I344-S383 WeakPolarHBondContact O-CA 3.49Å; I344-G384 PolarHBondContact O-N 2.95Å
345	G	95.9	Very high	94.7	Very high	4 Å²	4	44 Å²	44	4%	0.041	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	162.8	-171.8	0	0	0	0	0	113.3	I316 M317 L318 G384 V387	I316-G345 PolarHBondContact O-N 3.28Å; I316-G345 VanDerWaalsContact O-N 3.07Å; M317-G345 CarbonylContact C-O 3.48Å; M317-G345 WeakPolarHBondContact CA-O 3.28Å; L318-G345 PolarHBondContact N-O 2.72Å; G345-G384 WeakPolarHBondContact CA-O 3.21Å; G345-V387 WeakPolarHBondContact CA-O 3.34Å
346	Q	96.6	Very high	94.5	Very high	3 Å²	3	46.7 Å²	46.7	1%	0.014	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	132.3	171.3	175.2	66.3	55.1	0	0	110.3	L108 L318 V348 E359 Y360 F366 P385	L108-Q346 HydrophobicContact CD1-CG 3.81Å; L108-Q346 HydrophobicContact CD2-CB 4.12Å; L108-Q346 HydrophobicContact CD2-CG 4.11Å; L318-Q346 PolarHBondContact O-NE2 3.03Å; Q346-V348 HydrophobicContact CG-CG2 4.36Å; Q346-V348 PolarHBondContact O-N 3.43Å; Q346-E359 PolarHBondContact NE2-O 3.35Å; Q346-E359 VanDerWaalsContact NE2-O 3.08Å; Q346-Y360 HydrophobicContact CG-CD1 4.3Å; Q346-F366 HydrophobicContact CB-CZ 3.94Å; Q346-P385 HydrophobicContact CB-CB 4.47Å; Q346-P385 VanDerWaalsContact CB-O 3.23Å; Q346-P385 WeakPolarHBondContact CB-O 3.41Å; Q346-P385 PolarHBondContact N-O 2.98Å; Q346-P385 VanDerWaalsContact N-O 3.16Å
347	Y	95.7	Very high	94.4	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.016	20%	0.197	C	C	.	.			trans	-65.8	120.8	163.9	173.8	-119.3	0	0	0	110.1	F171 M317 L318 L320 Q349 L355 V357	F171-Y347 HydrophobicContact CB-CD2 4.23Å; F171-Y347 HydrophobicContact CB-CE2 3.65Å; M317-Y347 HydrophobicContact SD-CD2 4.24Å; L318-Y347 VanDerWaalsContact O-CB 3.26Å; L318-Y347 WeakPolarHBondContact O-CB 3.41Å; L318-Y347 PolarHBondContact O-N 2.9Å; L320-Y347 HydrophobicContact CD2-CD1 3.38Å; L320-Y347 HydrophobicContact CD2-CD2 4.22Å; L320-Y347 HydrophobicContact CD2-CE1 3.71Å; L320-Y347 HydrophobicContact CD2-CG 3.66Å; L320-Y347 HydrophobicContact CG-CD1 4.04Å; L320-Y347 HydrophobicContact CG-CG 3.99Å; Y347-Q349 HydrophobicContact CE1-CB 4.24Å; Y347-L355 HydrophobicContact CE1-CB 4.17Å; Y347-L355 VanDerWaalsContact CE1-O 3.31Å; Y347-L355 WeakPolarHBondContact CE1-O 3.23Å; Y347-L355 PolarHBondContact OH-O 3.47Å; Y347-V357 HydrophobicContact CD1-CG2 3.94Å; Y347-V357 HydrophobicContact CE1-CG2 4.09Å
348	V	91.3	Very high	94.3	Very high	45 Å²	45	46.7 Å²	46.7	27%	0.273	22%	0.218	S	C	.	.			trans	-112.7	121.1	172	-179.1	0	0	0	0	108.1	Q346 P350	Q346-V348 HydrophobicContact CG-CG2 4.36Å; Q346-V348 PolarHBondContact O-N 3.43Å; V348-P350 VanDerWaalsContact O-CD 3.24Å; V348-P350 WeakPolarHBondContact O-CD 3.34Å
349	Q	91.4	Very high	94.3	Very high	46 Å²	46	48.6 Å²	48.6	22%	0.215	22%	0.221	C	C	.	.			trans	-65.1	118.1	-177.6	-178.5	179.2	26.7	0	0	111.1	Y347 T351 H354 L355 V357	Y347-Q349 HydrophobicContact CE1-CB 4.24Å; Q349-T351 WeakPolarHBondContact CG-O 3.2Å; Q349-T351 PolarHBondContact NE2-O 2.68Å; Q349-H354 HydrophobicContact CG-CB 4.22Å; Q349-H354 PolarHBondContact NE2-O 2.98Å; Q349-L355 VanDerWaalsContact CD-O 3.25Å; Q349-L355 VanDerWaalsContact CG-O 3.25Å; Q349-L355 WeakPolarHBondContact CG-O 3.42Å; Q349-L355 PolarHBondContact NE2-O 3.07Å; Q349-V357 HydrophobicContact CB-CG2 3.99Å
350	P	89.6	Confident	94.2	Very high	31 Å²	31	49.8 Å²	49.8	20%	0.201	23%	0.226	C	C	.	.	S	Bend	trans	-69	-39.6	-176	-22.8	33.6	0	0	0	113.9	F171 V348	F171-P350 VanDerWaalsContact O-CG 3.31Å; F171-P350 WeakPolarHBondContact O-CG 3.34Å; V348-P350 VanDerWaalsContact O-CD 3.24Å; V348-P350 WeakPolarHBondContact O-CD 3.34Å
351	T	89.4	Confident	94.3	Very high	35 Å²	35	49.8 Å²	49.8	22%	0.215	23%	0.226	C	C	.	.	S	Bend	trans	-148.9	163.2	176.1	83.8	0	0	0	0	110.1	Q349 R353 H354	Q349-T351 WeakPolarHBondContact CG-O 3.2Å; Q349-T351 PolarHBondContact NE2-O 2.68Å; T351-R353 PolarHBondContact O-N 3.09Å; T351-R353 PolarHBondContact OG1-N 3.11Å; T351-H354 PolarHBondContact N-ND1 2.97Å; T351-H354 PolarHBondContact O-N 2.85Å; T351-H354 PolarHBondContact O-ND1 3.27Å; T351-H354 PolarHBondContact OG1-CE1 2.84Å; T351-H354 VanDerWaalsContact OG1-CE1 3.24Å; T351-H354 PolarHBondContact OG1-ND1 2.95Å
352	K	90.8	Very high	94.3	Very high	204 Å²	204	52.9 Å²	52.9	89%	0.887	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-15.6	177.2	-64.1	-177.7	179.8	177.2	0	114.9
353	R	91	Very high	94.3	Very high	238 Å²	238	54.6 Å²	54.6	90%	0.898	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-18.5	178.2	-61	-178.3	-178.9	176.4	-0.4	113.4	T351	T351-R353 PolarHBondContact O-N 3.09Å; T351-R353 PolarHBondContact OG1-N 3.11Å
354	H	94	Very high	94.3	Very high	36 Å²	36	58.9 Å²	58.9	17%	0.167	27%	0.274	C	S	.	.	S	Bend	trans	-86.1	174.6	-179.3	-61.1	87.6	0	0	0	111.1	R170 C172 S173 Q349 T351 K356	R170-H354 WeakPolarHBondContact O-CA 3.42Å; R170-H354 WeakPolarHBondContact O-CB 3.38Å; C172-H354 PolarHBondContact O-CD2 2.73Å; C172-H354 VanDerWaalsContact O-CD2 3.25Å; C172-H354 PolarHBondContact O-NE2 3.41Å; S173-H354 WeakPolarHBondContact CA-NE2 3.15Å; Q349-H354 HydrophobicContact CG-CB 4.22Å; Q349-H354 PolarHBondContact NE2-O 2.98Å; T351-H354 PolarHBondContact N-ND1 2.97Å; T351-H354 PolarHBondContact O-N 2.85Å; T351-H354 PolarHBondContact O-ND1 3.27Å; T351-H354 PolarHBondContact OG1-CE1 2.84Å; T351-H354 VanDerWaalsContact OG1-CE1 3.24Å; T351-H354 PolarHBondContact OG1-ND1 2.95Å; H354-K356 PolarHBondContact O-N 2.97Å
355	L	94.7	Very high	94.3	Very high	32 Å²	32	61.5 Å²	61.5	17%	0.168	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-51.3	139.1	177.1	-68.5	177.3	0	0	0	112.1	R170 V275 V276 L320 Y347 Q349	R170-L355 HydrophobicContact CB-CD1 3.93Å; R170-L355 HydrophobicContact CB-CD2 4.13Å; R170-L355 HydrophobicContact CB-CG 3.69Å; R170-L355 PolarHBondContact O-N 3.29Å; R170-L355 VanDerWaalsContact O-N 3.12Å; V275-L355 HydrophobicContact CG1-CD2 4.48Å; V276-L355 HydrophobicContact CB-CD1 4.3Å; V276-L355 HydrophobicContact CG2-CD1 3.94Å; L320-L355 HydrophobicContact CD2-CB 4.37Å; L320-L355 HydrophobicContact CD2-CD1 4.02Å; Y347-L355 HydrophobicContact CE1-CB 4.17Å; Y347-L355 VanDerWaalsContact CE1-O 3.31Å; Y347-L355 WeakPolarHBondContact CE1-O 3.23Å; Y347-L355 PolarHBondContact OH-O 3.47Å; Q349-L355 VanDerWaalsContact CD-O 3.25Å; Q349-L355 VanDerWaalsContact CG-O 3.25Å; Q349-L355 WeakPolarHBondContact CG-O 3.42Å; Q349-L355 PolarHBondContact NE2-O 3.07Å
356	K	95	Very high	94.4	Very high	124 Å²	124	61.4 Å²	61.4	54%	0.539	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-73.6	136.5	172.8	-68	-177	177.8	178.8	0	108.7	G99 H354 K358	G99-K356 PolarHBondContact O-NZ 2.85Å; H354-K356 PolarHBondContact O-N 2.97Å; K356-K358 PolarHBondContact O-N 3.49Å
357	V	95.2	Very high	94.4	Very high	14 Å²	14	65.1 Å²	65.1	9%	0.085	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-58.7	127	167	-174.3	0	0	0	0	108.5	Y347 Q349 E359 Y360	Y347-V357 HydrophobicContact CD1-CG2 3.94Å; Y347-V357 HydrophobicContact CE1-CG2 4.09Å; Q349-V357 HydrophobicContact CB-CG2 3.99Å; V357-E359 WeakPolarHBondContact CG1-O 3.33Å; V357-Y360 HydrophobicContact CB-CE1 4.31Å; V357-Y360 HydrophobicContact CG1-CD1 3.9Å; V357-Y360 HydrophobicContact CG1-CE1 3.78Å; V357-Y360 HydrophobicContact CG1-CG 4.36Å; V357-Y360 HydrophobicContact CG2-CE1 4.13Å
358	K	95.9	Very high	94.4	Very high	125 Å²	125	68.7 Å²	68.7	54%	0.543	32%	0.318	S	S	.	.			trans	-84.4	-37	177.7	-67.2	-62	-171.4	169.4	0	112	G319 L320 K356	G319-K358 PolarHBondContact O-N 2.91Å; L320-K358 VanDerWaalsContact O-CG 3.3Å; L320-K358 WeakPolarHBondContact O-CG 3.27Å; K356-K358 PolarHBondContact O-N 3.49Å
359	E	95.4	Very high	94.8	Very high	61 Å²	61	66.8 Å²	66.8	29%	0.285	31%	0.306	S	S	.	.			trans	-153	141.7	-178.7	-171.7	173.8	177.5	0	0	109.6	S93 G319 Q346 V357 I361	S93-E359 WeakPolarHBondContact CB-OE1 3.3Å; G319-E359 WeakPolarHBondContact CA-O 3.34Å; Q346-E359 PolarHBondContact NE2-O 3.35Å; Q346-E359 VanDerWaalsContact NE2-O 3.08Å; V357-E359 WeakPolarHBondContact CG1-O 3.33Å; E359-I361 HydrophobicContact CB-CD1 4.23Å; E359-I361 HydrophobicContact CG-CD1 3.93Å
360	Y	96.6	Very high	95	Very high	26 Å²	26	65.4 Å²	65.4	10%	0.102	30%	0.303	C	S	.	.			trans	-94.5	111.6	164.3	-68.9	-64.8	0	0	0	108.5	L102 R103 L104 P105 L108 Q346 V357	L102-Y360 HydrophobicContact CB-CD2 3.94Å; L102-Y360 HydrophobicContact CB-CE2 3.45Å; L102-Y360 VanDerWaalsContact CB-CE2 3.45Å; L102-Y360 HydrophobicContact CD1-CD2 4.21Å; L102-Y360 HydrophobicContact CD1-CE2 4.36Å; R103-Y360 WeakPolarHBondContact O-CE2 3.19Å; L104-Y360 HydrophobicContact CD1-CE1 3.81Å; P105-Y360 VanDerWaalsContact CD-CD2 3.5Å; P105-Y360 HydrophobicContact CG-CD1 4.33Å; P105-Y360 HydrophobicContact CG-CD2 4.26Å; P105-Y360 HydrophobicContact CG-CG 3.91Å; L108-Y360 HydrophobicContact CD1-CD1 3.35Å; L108-Y360 HydrophobicContact CD1-CE1 3.78Å; L108-Y360 HydrophobicContact CD1-CG 4.18Å; Q346-Y360 HydrophobicContact CG-CD1 4.3Å; V357-Y360 HydrophobicContact CB-CE1 4.31Å; V357-Y360 HydrophobicContact CG1-CD1 3.9Å; V357-Y360 HydrophobicContact CG1-CE1 3.78Å; V357-Y360 HydrophobicContact CG1-CG 4.36Å; V357-Y360 HydrophobicContact CG2-CE1 4.13Å
361	I	96.6	Very high	95.3	Very high	13 Å²	13	69.7 Å²	69.7	7%	0.067	32%	0.318	C	S	.	.			trans	-72.6	133	-176.1	-55.4	-57	0	0	0	109.4	W107 L318 E359 K365 F366	W107-I361 PolarHBondContact NE1-O 3.08Å; L318-I361 HydrophobicContact CB-CG1 3.81Å; L318-I361 HydrophobicContact CD1-CG2 4.48Å; E359-I361 HydrophobicContact CB-CD1 4.23Å; E359-I361 HydrophobicContact CG-CD1 3.93Å; I361-K365 HydrophobicContact CG2-CB 3.58Å; I361-K365 HydrophobicContact CG2-CG 3.79Å; I361-F366 HydrophobicContact CB-CD2 4.48Å; I361-F366 HydrophobicContact CB-CE2 3.62Å; I361-F366 HydrophobicContact CB-CZ 3.89Å; I361-F366 HydrophobicContact CG2-CD2 4.01Å; I361-F366 HydrophobicContact CG2-CE2 3.61Å; I361-F366 HydrophobicContact CG2-CZ 4.04Å
362	H	95.9	Very high	95.7	Very high	66 Å²	66	69.1 Å²	69.1	31%	0.306	31%	0.313	S	S	.	.			trans	-68.4	143.2	177.9	-167	-95	0	0	0	110.8	D364 K365	H362-D364 VanDerWaalsContact C-N 3.29Å; H362-D364 IonicContact CE1-OD1 3.35Å; H362-D364 PolarHBondContact CE1-OD1 3.47Å; H362-D364 IonicContact CE1-OD2 3.11Å; H362-D364 PolarHBondContact CE1-OD2 3.23Å; H362-D364 PolarHBondContact ND1-N 2.82Å; H362-D364 IonicContact ND1-OD1 3.42Å; H362-D364 PolarHBondContact ND1-OD1 2.88Å; H362-D364 IonicContact ND1-OD2 3.06Å; H362-D364 PolarHBondContact ND1-OD2 3.16Å; H362-D364 PolarHBondContact O-N 3.46Å; H362-K365 WeakPolarHBondContact O-CB 3.48Å; H362-K365 PolarHBondContact O-N 2.96Å
363	P	95.6	Very high	96	Very high	35 Å²	35	59.4 Å²	59.4	23%	0.227	27%	0.271	C	S	.	.	H	α-helix	trans	-47.4	-44.4	177.6	-31.6	37.1	0	0	0	114.8	W107 K365 F366 D367 P385	W107-P363 HydrophobicContact CB-CG 3.98Å; W107-P363 HydrophobicContact CD2-CG 4.18Å; W107-P363 HydrophobicContact CG-CG 3.74Å; P363-K365 PolarHBondContact O-N 3.44Å; P363-F366 WeakPolarHBondContact O-CA 3.11Å; P363-F366 VanDerWaalsContact O-CB 3.29Å; P363-F366 WeakPolarHBondContact O-CB 3.31Å; P363-F366 PolarHBondContact O-N 2.89Å; P363-D367 PolarHBondContact O-N 3.48Å; P363-D367 VanDerWaalsContact O-N 3.15Å; P363-P385 HydrophobicContact CB-CG 4.42Å; P363-P385 HydrophobicContact CG-CG 4.08Å
364	D	96.7	Very high	96.1	Very high	95 Å²	95	52.4 Å²	52.4	51%	0.508	25%	0.251	S	S	.	.	H	α-helix	trans	-56.7	-30	179.2	-49.5	-12.4	0	0	0	113.3	H362 F366 D367 Y368	H362-D364 VanDerWaalsContact C-N 3.29Å; H362-D364 IonicContact CE1-OD1 3.35Å; H362-D364 PolarHBondContact CE1-OD1 3.47Å; H362-D364 IonicContact CE1-OD2 3.11Å; H362-D364 PolarHBondContact CE1-OD2 3.23Å; H362-D364 PolarHBondContact ND1-N 2.82Å; H362-D364 IonicContact ND1-OD1 3.42Å; H362-D364 PolarHBondContact ND1-OD1 2.88Å; H362-D364 IonicContact ND1-OD2 3.06Å; H362-D364 PolarHBondContact ND1-OD2 3.16Å; H362-D364 PolarHBondContact O-N 3.46Å; D364-F366 VanDerWaalsContact C-N 3.32Å; D364-D367 PolarHBondContact O-N 3.21Å; D364-Y368 PolarHBondContact O-N 3.45Å
365	K	97.2	Very high	96.2	Very high	55 Å²	55	55.7 Å²	55.7	24%	0.239	27%	0.27	C	S	.	.	H	α-helix	trans	-72.3	-31.4	177.3	-169.1	57.8	169	-179.3	0	111.4	E324 I361 H362 P363 Y368 W369	E324-K365 IonicContact OE1-NZ 3.97Å; E324-K365 PolarHBondContact OE1-NZ 2.74Å; E324-K365 WeakPolarHBondContact OE2-CE 3.38Å; E324-K365 IonicContact OE2-NZ 2.92Å; E324-K365 PolarHBondContact OE2-NZ 3.36Å; I361-K365 HydrophobicContact CG2-CB 3.58Å; I361-K365 HydrophobicContact CG2-CG 3.79Å; H362-K365 WeakPolarHBondContact O-CB 3.48Å; H362-K365 PolarHBondContact O-N 2.96Å; P363-K365 PolarHBondContact O-N 3.44Å; K365-Y368 HydrophobicContact CD-CD1 3.99Å; K365-Y368 HydrophobicContact CD-CG 4.42Å; K365-Y368 WeakPolarHBondContact O-CB 3.49Å; K365-Y368 PolarHBondContact O-N 2.8Å; K365-W369 PolarHBondContact O-N 3.02Å; K365-W369 VanDerWaalsContact O-N 3.08Å
366	F	97.1	Very high	96.3	Very high	1 Å²	1	56.5 Å²	56.5	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-67.9	-39.4	170.5	-69.7	-81.8	0	0	0	111.4	L318 I344 Q346 I361 P363 D364 Y368 W369 A370 S383 P385	L318-F366 HydrophobicContact CD1-CD1 4.42Å; L318-F366 HydrophobicContact CD1-CE1 3.92Å; L318-F366 HydrophobicContact CD1-CZ 4.38Å; L318-F366 HydrophobicContact CG-CE1 4.45Å; I344-F366 HydrophobicContact CG2-CD1 4.22Å; I344-F366 HydrophobicContact CG2-CE1 4.26Å; Q346-F366 HydrophobicContact CB-CZ 3.94Å; I361-F366 HydrophobicContact CB-CD2 4.48Å; I361-F366 HydrophobicContact CB-CE2 3.62Å; I361-F366 HydrophobicContact CB-CZ 3.89Å; I361-F366 HydrophobicContact CG2-CD2 4.01Å; I361-F366 HydrophobicContact CG2-CE2 3.61Å; I361-F366 HydrophobicContact CG2-CZ 4.04Å; P363-F366 WeakPolarHBondContact O-CA 3.11Å; P363-F366 VanDerWaalsContact O-CB 3.29Å; P363-F366 WeakPolarHBondContact O-CB 3.31Å; P363-F366 PolarHBondContact O-N 2.89Å; D364-F366 VanDerWaalsContact C-N 3.32Å; F366-Y368 VanDerWaalsContact C-N 3.32Å; F366-Y368 PolarHBondContact O-N 3.43Å; F366-W369 PolarHBondContact O-N 3.46Å; F366-W369 VanDerWaalsContact O-N 3.11Å; F366-A370 PolarHBondContact O-N 3.4Å; F366-S383 VanDerWaalsContact CA-OG 3.31Å; F366-S383 WeakPolarHBondContact CA-OG 3.48Å; F366-S383 WeakPolarHBondContact CB-OG 3.19Å; F366-S383 WeakPolarHBondContact O-CB 3.36Å; F366-S383 PolarHBondContact O-OG 3.31Å; F366-P385 HydrophobicContact CD2-CB 4.48Å; F366-P385 HydrophobicContact CD2-CG 3.73Å; F366-P385 HydrophobicContact CE2-CB 4.06Å; F366-P385 HydrophobicContact CE2-CG 3.75Å
367	D	96.2	Very high	96.4	Very high	82 Å²	82	52.3 Å²	52.3	44%	0.439	27%	0.267	S	S	.	.	H	α-helix	trans	-61.9	-41.3	174.1	-66.8	-27.6	0	0	0	111.6	P363 D364 W369 A370 K371	P363-D367 PolarHBondContact O-N 3.48Å; P363-D367 VanDerWaalsContact O-N 3.15Å; D364-D367 PolarHBondContact O-N 3.21Å; D367-W369 VanDerWaalsContact C-N 3.33Å; D367-W369 PolarHBondContact O-N 2.84Å; D367-A370 WeakPolarHBondContact O-CB 3.36Å; D367-A370 PolarHBondContact O-N 3.39Å; D367-K371 PolarHBondContact O-N 2.88Å
368	Y	97.6	Very high	96.4	Very high	79 Å²	79	52.1 Å²	52.1	31%	0.31	26%	0.264	S	S	.	.	H	α-helix	trans	-55.3	-47.8	170.8	169.3	-96.7	0	0	0	111.6	D364 K365 F366 A370 K371 I372	D364-Y368 PolarHBondContact O-N 3.45Å; K365-Y368 HydrophobicContact CD-CD1 3.99Å; K365-Y368 HydrophobicContact CD-CG 4.42Å; K365-Y368 WeakPolarHBondContact O-CB 3.49Å; K365-Y368 PolarHBondContact O-N 2.8Å; F366-Y368 VanDerWaalsContact C-N 3.32Å; F366-Y368 PolarHBondContact O-N 3.43Å; Y368-A370 PolarHBondContact O-N 3.19Å; Y368-K371 WeakPolarHBondContact O-CB 3.27Å; Y368-K371 PolarHBondContact O-N 3.41Å; Y368-I372 HydrophobicContact CD1-CG1 4.33Å; Y368-I372 HydrophobicContact CD2-CG1 4.48Å; Y368-I372 HydrophobicContact CE1-CG1 3.84Å; Y368-I372 HydrophobicContact CE2-CD1 4.09Å; Y368-I372 HydrophobicContact CE2-CG1 4.01Å; Y368-I372 WeakPolarHBondContact O-CG1 3.28Å; Y368-I372 PolarHBondContact O-N 3.23Å
369	W	97.8	Very high	96.2	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.015	25%	0.253	C	S	.	.	H	α-helix	trans	-67	-33.6	178	-70.5	126.4	0	0	0	113.7	E324 V327 M328 L331 I344 K365 F366 D367 K371 I372 G373	E324-W369 HydrophobicContact CB-CZ2 4.34Å; E324-W369 HydrophobicContact CG-CH2 3.74Å; E324-W369 HydrophobicContact CG-CZ2 3.81Å; E324-W369 WeakPolarHBondContact O-CH2 3.4Å; V327-W369 HydrophobicContact CB-CH2 3.59Å; V327-W369 HydrophobicContact CB-CZ2 3.61Å; V327-W369 HydrophobicContact CB-CZ3 4.22Å; V327-W369 HydrophobicContact CG1-CD2 3.99Å; V327-W369 HydrophobicContact CG1-CE3 3.99Å; V327-W369 HydrophobicContact CG1-CH2 3.61Å; V327-W369 HydrophobicContact CG1-CZ2 3.56Å; V327-W369 HydrophobicContact CG1-CZ3 3.81Å; V327-W369 HydrophobicContact CG2-CZ2 4.27Å; M328-W369 HydrophobicContact CB-CH2 4.4Å; M328-W369 HydrophobicContact CB-CZ3 4.33Å; M328-W369 HydrophobicContact CE-CZ3 4.22Å; L331-W369 HydrophobicContact CD1-CE3 3.6Å; L331-W369 HydrophobicContact CD1-CZ3 3.91Å; I344-W369 HydrophobicContact CD1-CB 3.7Å; I344-W369 HydrophobicContact CD1-CG 4.34Å; K365-W369 PolarHBondContact O-N 3.02Å; K365-W369 VanDerWaalsContact O-N 3.08Å; F366-W369 PolarHBondContact O-N 3.46Å; F366-W369 VanDerWaalsContact O-N 3.11Å; D367-W369 VanDerWaalsContact C-N 3.33Å; D367-W369 PolarHBondContact O-N 2.84Å; W369-K371 VanDerWaalsContact C-N 3.32Å; W369-I372 HydrophobicContact CE3-CB 4.22Å; W369-I372 HydrophobicContact CE3-CG1 4.36Å; W369-I372 HydrophobicContact CE3-CG2 4.28Å; W369-I372 HydrophobicContact CZ3-CG2 4.35Å; W369-I372 PolarHBondContact O-N 3.25Å; W369-G373 PolarHBondContact O-N 3.14Å
370	A	95.6	Very high	96	Very high	18 Å²	18	47.7 Å²	47.7	15%	0.149	25%	0.246	C	C	.	.	H	α-helix	trans	-58.2	-48	172.4	0	0	0	0	0	110.6	F366 D367 Y368 G373 N374	F366-A370 PolarHBondContact O-N 3.4Å; D367-A370 WeakPolarHBondContact O-CB 3.36Å; D367-A370 PolarHBondContact O-N 3.39Å; Y368-A370 PolarHBondContact O-N 3.19Å; A370-G373 PolarHBondContact O-N 3.39Å; A370-N374 VanDerWaalsContact O-CG 3.24Å; A370-N374 PolarHBondContact O-N 3.47Å; A370-N374 PolarHBondContact O-ND2 3.31Å
371	K	96.9	Very high	95.8	Very high	121 Å²	121	47 Å²	47	53%	0.526	25%	0.245	S	C	.	.	H	α-helix	trans	-60.4	-48.8	176.6	-176	-179.8	-179.4	-64.2	0	111.6	D367 Y368 W369 G373 N374 D375	D367-K371 PolarHBondContact O-N 2.88Å; Y368-K371 WeakPolarHBondContact O-CB 3.27Å; Y368-K371 PolarHBondContact O-N 3.41Å; W369-K371 VanDerWaalsContact C-N 3.32Å; K371-G373 VanDerWaalsContact C-N 3.33Å; K371-G373 PolarHBondContact O-N 3.24Å; K371-N374 PolarHBondContact O-N 3.01Å; K371-D375 IonicContact NZ-OD2 2.84Å; K371-D375 PolarHBondContact NZ-OD2 3.3Å; K371-D375 WeakPolarHBondContact O-CB 3.41Å; K371-D375 VanDerWaalsContact O-CG 3.22Å; K371-D375 PolarHBondContact O-N 2.86Å
372	I	97.6	Very high	95.6	Very high	22 Å²	22	46.7 Å²	46.7	11%	0.113	24%	0.244	C	C	.	.	H	α-helix	trans	-58.7	-43.9	178	-67.7	-52.1	0	0	0	111.7	M328 L331 Y368 W369 N374 D375 L376	M328-I372 HydrophobicContact CE-CB 4.37Å; M328-I372 HydrophobicContact CE-CD1 3.86Å; M328-I372 HydrophobicContact CE-CG1 3.89Å; M328-I372 HydrophobicContact CE-CG2 3.51Å; M328-I372 HydrophobicContact SD-CG2 3.7Å; L331-I372 HydrophobicContact CD1-CG2 3.93Å; Y368-I372 HydrophobicContact CD1-CG1 4.33Å; Y368-I372 HydrophobicContact CD2-CG1 4.48Å; Y368-I372 HydrophobicContact CE1-CG1 3.84Å; Y368-I372 HydrophobicContact CE2-CD1 4.09Å; Y368-I372 HydrophobicContact CE2-CG1 4.01Å; Y368-I372 WeakPolarHBondContact O-CG1 3.28Å; Y368-I372 PolarHBondContact O-N 3.23Å; W369-I372 HydrophobicContact CE3-CB 4.22Å; W369-I372 HydrophobicContact CE3-CG1 4.36Å; W369-I372 HydrophobicContact CE3-CG2 4.28Å; W369-I372 HydrophobicContact CZ3-CG2 4.35Å; W369-I372 PolarHBondContact O-N 3.25Å; I372-N374 VanDerWaalsContact C-N 3.33Å; I372-N374 PolarHBondContact O-N 2.71Å; I372-D375 PolarHBondContact O-N 3.12Å; I372-L376 HydrophobicContact CG2-CD1 3.85Å; I372-L376 HydrophobicContact CG2-CG 4.3Å; I372-L376 WeakPolarHBondContact O-CB 3.36Å; I372-L376 VanDerWaalsContact O-CG 3.29Å; I372-L376 WeakPolarHBondContact O-CG 3.45Å; I372-L376 PolarHBondContact O-N 3.24Å
373	G	96.4	Very high	95.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-41.8	178.2	0	0	0	0	0	112.5	W369 A370 K371 L376 G377 F378 T381	W369-G373 PolarHBondContact O-N 3.14Å; A370-G373 PolarHBondContact O-N 3.39Å; K371-G373 VanDerWaalsContact C-N 3.33Å; K371-G373 PolarHBondContact O-N 3.24Å; G373-L376 PolarHBondContact O-N 3.32Å; G373-G377 PolarHBondContact O-N 2.95Å; G373-F378 WeakPolarHBondContact O-CD2 3.35Å; G373-F378 PolarHBondContact O-N 3.28Å; G373-F378 VanDerWaalsContact O-N 3.15Å; G373-T381 VanDerWaalsContact C-OG1 3.29Å; G373-T381 WeakPolarHBondContact CA-OG1 3.38Å
374	N	93	Very high	95.4	Very high	91 Å²	91	42.6 Å²	42.6	49%	0.487	23%	0.225	S	C	.	.	H	α-helix	trans	-64.7	-43	174.9	-64.4	-18.4	0	0	0	111.8	A370 K371 I372 L376 G377 T381	A370-N374 VanDerWaalsContact O-CG 3.24Å; A370-N374 PolarHBondContact O-N 3.47Å; A370-N374 PolarHBondContact O-ND2 3.31Å; K371-N374 PolarHBondContact O-N 3.01Å; I372-N374 VanDerWaalsContact C-N 3.33Å; I372-N374 PolarHBondContact O-N 2.71Å; N374-L376 VanDerWaalsContact C-N 3.28Å; N374-L376 PolarHBondContact O-N 2.95Å; N374-G377 WeakPolarHBondContact O-CA 3.47Å; N374-G377 PolarHBondContact O-N 3.32Å; N374-T381 PolarHBondContact OD1-OG1 2.99Å
375	D	97	Very high	95.3	Very high	105 Å²	105	39 Å²	39	56%	0.561	21%	0.207	S	C	*	.	H	α-helix	trans	-63.8	-32.4	177.5	-68.4	-15.4	0	0	0	111.9	K371 I372 G377	K371-D375 IonicContact NZ-OD2 2.84Å; K371-D375 PolarHBondContact NZ-OD2 3.3Å; K371-D375 WeakPolarHBondContact O-CB 3.41Å; K371-D375 VanDerWaalsContact O-CG 3.22Å; K371-D375 PolarHBondContact O-N 2.86Å; I372-D375 PolarHBondContact O-N 3.12Å; D375-G377 PolarHBondContact O-N 2.93Å
376	L	97.5	Very high	94.9	Very high	50 Å²	50	38.3 Å²	38.3	26%	0.262	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-2.2	173.3	-70.7	174.2	0	0	0	113.5	M328 L331 K332 R335 I372 G373 N374	M328-L376 HydrophobicContact SD-CD1 4.49Å; L331-L376 HydrophobicContact CB-CD1 3.6Å; K332-L376 HydrophobicContact CG-CD1 4.27Å; K332-L376 HydrophobicContact CG-CD2 3.91Å; R335-L376 HydrophobicContact CG-CB 4.02Å; R335-L376 PolarHBondContact NE-O 3.32Å; R335-L376 VanDerWaalsContact NE-O 3.11Å; I372-L376 HydrophobicContact CG2-CD1 3.85Å; I372-L376 HydrophobicContact CG2-CG 4.3Å; I372-L376 WeakPolarHBondContact O-CB 3.36Å; I372-L376 VanDerWaalsContact O-CG 3.29Å; I372-L376 WeakPolarHBondContact O-CG 3.45Å; I372-L376 PolarHBondContact O-N 3.24Å; G373-L376 PolarHBondContact O-N 3.32Å; N374-L376 VanDerWaalsContact C-N 3.28Å; N374-L376 PolarHBondContact O-N 2.95Å
377	G	95.9	Very high	94.6	Very high	36 Å²	36	39 Å²	39	37%	0.371	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	28.9	175.2	0	0	0	0	0	114.6	R335 G373 N374 D375	R335-G377 VanDerWaalsContact CZ-O 3.29Å; R335-G377 PolarHBondContact NE-O 2.9Å; R335-G377 PolarHBondContact NH2-O 2.9Å; G373-G377 PolarHBondContact O-N 2.95Å; N374-G377 WeakPolarHBondContact O-CA 3.47Å; N374-G377 PolarHBondContact O-N 3.32Å; D375-G377 PolarHBondContact O-N 2.93Å
378	F	95.3	Very high	94.3	Very high	9 Å²	9	38 Å²	38	4%	0.039	20%	0.2	C	C	.	.			trans	-59.6	141.1	159.2	-74.7	-76.5	0	0	0	108.2	L331 L334 R335 V339 D340 V342 G373 Y380	L331-F378 HydrophobicContact CB-CE2 4.3Å; L331-F378 HydrophobicContact CD2-CE2 4.05Å; L331-F378 HydrophobicContact CD2-CZ 4.37Å; L334-F378 HydrophobicContact CB-CE1 4.17Å; L334-F378 HydrophobicContact CB-CZ 3.82Å; L334-F378 HydrophobicContact CD1-CZ 4.48Å; R335-F378 VanDerWaalsContact CD-CD2 3.47Å; R335-F378 VanDerWaalsContact CD-CE2 3.43Å; R335-F378 VanDerWaalsContact CD-CG 3.4Å; R335-F378 HydrophobicContact CG-CD1 4.38Å; R335-F378 HydrophobicContact CG-CD2 3.98Å; R335-F378 HydrophobicContact CG-CE1 3.96Å; R335-F378 HydrophobicContact CG-CE2 3.5Å; R335-F378 HydrophobicContact CG-CG 4.39Å; R335-F378 HydrophobicContact CG-CZ 3.49Å; R335-F378 VanDerWaalsContact CG-CZ 3.49Å; V339-F378 HydrophobicContact CB-CE1 4.21Å; V339-F378 HydrophobicContact CG1-CE1 4.11Å; V339-F378 WeakPolarHBondContact O-CD1 3.46Å; V339-F378 WeakPolarHBondContact O-CE1 3.44Å; D340-F378 CarbonylContact O-C 3.6Å; V342-F378 HydrophobicContact CB-CD1 4Å; V342-F378 HydrophobicContact CB-CD2 4.49Å; V342-F378 HydrophobicContact CB-CE1 3.76Å; V342-F378 HydrophobicContact CB-CE2 4.3Å; V342-F378 HydrophobicContact CB-CG 4.37Å; V342-F378 HydrophobicContact CB-CZ 3.93Å; V342-F378 HydrophobicContact CG1-CD1 3.95Å; V342-F378 HydrophobicContact CG1-CD2 3.66Å; V342-F378 HydrophobicContact CG1-CE1 3.98Å; V342-F378 HydrophobicContact CG1-CE2 3.72Å; V342-F378 HydrophobicContact CG1-CG 3.8Å; V342-F378 HydrophobicContact CG1-CZ 3.87Å; G373-F378 WeakPolarHBondContact O-CD2 3.35Å; G373-F378 PolarHBondContact O-N 3.28Å; G373-F378 VanDerWaalsContact O-N 3.15Å; F378-Y380 PolarHBondContact O-N 2.95Å
379	L	91.9	Very high	93.7	Very high	58 Å²	58	35.1 Å²	35.1	30%	0.304	19%	0.192	S	C	.	.	S	Bend	trans	-60.6	-39.9	170.9	-59.1	-174.7	0	0	0	109.4	D340 Y397 I401	D340-L379 HydrophobicContact CB-CD1 3.88Å; D340-L379 HydrophobicContact CB-CG 4.15Å; D340-L379 PolarHBondContact O-N 3.45Å; L379-Y397 HydrophobicContact CB-CE1 4.37Å; L379-Y397 WeakPolarHBondContact O-CE1 3.26Å; L379-Y397 PolarHBondContact O-OH 3.06Å; L379-I401 HydrophobicContact CB-CD1 3.87Å; L379-I401 HydrophobicContact CD1-CD1 4.14Å; L379-I401 HydrophobicContact CD1-CG1 4.46Å; L379-I401 HydrophobicContact CD1-CG2 3.91Å
380	Y	90.4	Very high	92.8	Very high	36 Å²	36	35.8 Å²	35.8	14%	0.141	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	132.8	-179.9	-175.4	-113.9	0	0	0	112.4	C341 V342 F378 A382 A393 Y397	C341-Y380 WeakPolarHBondContact CA-O 3.39Å; V342-Y380 PolarHBondContact N-O 3.48Å; F378-Y380 PolarHBondContact O-N 2.95Å; Y380-A382 HydrophobicContact CD1-CB 4.43Å; Y380-A382 HydrophobicContact CE1-CB 3.47Å; Y380-A382 VanDerWaalsContact CE1-CB 3.47Å; Y380-A393 WeakPolarHBondContact OH-CB 3.26Å; Y380-A393 PolarHBondContact OH-O 3.13Å; Y380-Y397 VanDerWaalsContact CB-CD1 3.47Å; Y380-Y397 AromaticContact CD2-CD1 3.55Å; Y380-Y397 HydrophobicContact CD2-CD1 3.55Å; Y380-Y397 HydrophobicContact CD2-CD2 4.3Å; Y380-Y397 HydrophobicContact CD2-CE1 4.14Å; Y380-Y397 AromaticContact CD2-CG 3.62Å; Y380-Y397 HydrophobicContact CD2-CG 3.62Å; Y380-Y397 HydrophobicContact CE2-CG 4.26Å; Y380-Y397 AromaticContact CG-CD1 3.71Å; Y380-Y397 HydrophobicContact CG-CD1 3.71Å; Y380-Y397 HydrophobicContact CG-CE1 4.29Å; Y380-Y397 HydrophobicContact CG-CG 4.2Å
381	T	93.2	Very high	91.6	Very high	12 Å²	12	37 Å²	37	7%	0.074	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	105.3	173	-52.5	0	0	0	0	109.5	V342 I344 G373 N374	V342-T381 HydrophobicContact CG1-CG2 3.85Å; V342-T381 WeakPolarHBondContact O-CA 3.42Å; I344-T381 HydrophobicContact CD1-CG2 4.35Å; G373-T381 VanDerWaalsContact C-OG1 3.29Å; G373-T381 WeakPolarHBondContact CA-OG1 3.38Å; N374-T381 PolarHBondContact OD1-OG1 2.99Å
382	A	92.4	Very high	90.2	Very high	5 Å²	5	33 Å²	33	4%	0.041	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	117.1	167.1	0	0	0	0	0	109	V342 T343 I344 Y380 V387	V342-A382 PolarHBondContact O-N 3.4Å; T343-A382 CarbonylContact C-O 3.55Å; T343-A382 VanDerWaalsContact CA-O 3.25Å; T343-A382 WeakPolarHBondContact CA-O 3.34Å; T343-A382 HydrophobicContact CG2-CB 4.14Å; I344-A382 PolarHBondContact N-O 3.48Å; Y380-A382 HydrophobicContact CD1-CB 4.43Å; Y380-A382 HydrophobicContact CE1-CB 3.47Å; Y380-A382 VanDerWaalsContact CE1-CB 3.47Å; A382-V387 HydrophobicContact CB-CG1 3.9Å; A382-V387 HydrophobicContact CB-CG2 4.46Å
383	S	94.7	Very high	87.9	Confident	5 Å²	5	33.8 Å²	33.8	4%	0.035	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	124.5	179.7	-173.2	0	0	0	0	109.5	I344 F366	I344-S383 WeakPolarHBondContact O-CA 3.49Å; F366-S383 VanDerWaalsContact CA-OG 3.31Å; F366-S383 WeakPolarHBondContact CA-OG 3.48Å; F366-S383 WeakPolarHBondContact CB-OG 3.19Å; F366-S383 WeakPolarHBondContact O-CB 3.36Å; F366-S383 PolarHBondContact O-OG 3.31Å
384	G	93.5	Very high	86	Confident	10 Å²	10	34 Å²	34	10%	0.103	19%	0.191	C	C	.	.	S	Bend	trans	177.9	157.2	180	0	0	0	0	0	112.1	I344 G345 L386 V387	I344-G384 PolarHBondContact O-N 2.95Å; G345-G384 WeakPolarHBondContact CA-O 3.21Å; G384-L386 VanDerWaalsContact C-N 3.28Å; G384-L386 PolarHBondContact O-N 3.35Å; G384-V387 WeakPolarHBondContact O-CB 3.29Å; G384-V387 PolarHBondContact O-N 3.04Å
385	P	93.1	Very high	84.9	Confident	21 Å²	21	30.7 Å²	30.7	14%	0.136	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-40.2	-175.6	-23.6	31.1	0	0	0	113.5	L108 Q346 P363 F366	L108-P385 HydrophobicContact CD2-CB 3.51Å; L108-P385 HydrophobicContact CG-CB 4.28Å; Q346-P385 HydrophobicContact CB-CB 4.47Å; Q346-P385 VanDerWaalsContact CB-O 3.23Å; Q346-P385 WeakPolarHBondContact CB-O 3.41Å; Q346-P385 PolarHBondContact N-O 2.98Å; Q346-P385 VanDerWaalsContact N-O 3.16Å; P363-P385 HydrophobicContact CB-CG 4.42Å; P363-P385 HydrophobicContact CG-CG 4.08Å; F366-P385 HydrophobicContact CD2-CB 4.48Å; F366-P385 HydrophobicContact CD2-CG 3.73Å; F366-P385 HydrophobicContact CE2-CB 4.06Å; F366-P385 HydrophobicContact CE2-CG 3.75Å
386	L	89.8	Confident	83.3	Confident	40 Å²	40	34.8 Å²	34.8	21%	0.209	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	0.1	-179.5	-62	177.5	0	0	0	113.8	L108 T110 N141 G384 R388	L108-L386 HydrophobicContact CD2-CD2 3.97Å; T110-L386 HydrophobicContact CG2-CD1 3.67Å; T110-L386 HydrophobicContact CG2-CD2 3.92Å; T110-L386 HydrophobicContact CG2-CG 4.47Å; N141-L386 PolarHBondContact ND2-O 2.65Å; G384-L386 VanDerWaalsContact C-N 3.28Å; G384-L386 PolarHBondContact O-N 3.35Å; L386-R388 PolarHBondContact O-N 2.89Å
387	V	90.6	Very high	82	Confident	15 Å²	15	34.2 Å²	34.2	9%	0.091	18%	0.176	C	C	.	.			trans	-63.4	136	179	171.8	0	0	0	0	110.1	T343 G345 A382 G384 Y391	T343-V387 HydrophobicContact CG2-CG1 4.27Å; G345-V387 WeakPolarHBondContact CA-O 3.34Å; A382-V387 HydrophobicContact CB-CG1 3.9Å; A382-V387 HydrophobicContact CB-CG2 4.46Å; G384-V387 WeakPolarHBondContact O-CB 3.29Å; G384-V387 PolarHBondContact O-N 3.04Å; V387-Y391 HydrophobicContact CG2-CD1 4.39Å
388	R	89.2	Confident	81.1	Confident	60 Å²	60	32.5 Å²	32.5	23%	0.226	16%	0.158	C	C	.	.			trans	-126.4	164.3	172.2	-58.9	-62.1	-179	90.9	-9	109	L386 S390 Y391	L386-R388 PolarHBondContact O-N 2.89Å; R388-S390 PolarHBondContact O-N 2.79Å; R388-Y391 WeakPolarHBondContact O-CB 3.47Å; R388-Y391 PolarHBondContact O-N 3.49Å
389	S	85.1	Confident	80.3	Confident	20 Å²	20	35.6 Å²	35.6	14%	0.14	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-40.6	175.4	49.6	0	0	0	0	112.1	L240 K313	L240-S389 WeakPolarHBondContact CD2-OG 3.26Å; K313-S389 VanDerWaalsContact CE-O 3.23Å; K313-S389 WeakPolarHBondContact CE-O 3.38Å; K313-S389 PolarHBondContact NZ-O 2.94Å
390	S	80.1	Confident	79.7	Confident	18 Å²	18	35.2 Å²	35.2	13%	0.126	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	14.4	179.4	60.7	0	0	0	0	115.5	T157 R388 R392	T157-S390 WeakPolarHBondContact OG1-CB 3.45Å; T157-S390 PolarHBondContact OG1-OG 3.39Å; R388-S390 PolarHBondContact O-N 2.79Å; S390-R392 PolarHBondContact O-N 2.82Å
391	Y	69.5	Low	79.2	Confident	43 Å²	43	34 Å²	34	17%	0.169	16%	0.164	C	C	.	.			trans	-80.1	120.6	-174.8	-173.5	-108.1	0	0	0	112.9	N141 E144 V387 R388 A393 G394	N141-Y391 HydrophobicContact CB-CD2 4.23Å; N141-Y391 HydrophobicContact CB-CE2 4.14Å; N141-Y391 VanDerWaalsContact ND2-CD2 3.33Å; N141-Y391 WeakPolarHBondContact ND2-CD2 3.5Å; E144-Y391 VanDerWaalsContact CD-OH 3.3Å; E144-Y391 PolarHBondContact OE1-OH 3.4Å; E144-Y391 PolarHBondContact OE2-OH 3.11Å; V387-Y391 HydrophobicContact CG2-CD1 4.39Å; R388-Y391 WeakPolarHBondContact O-CB 3.47Å; R388-Y391 PolarHBondContact O-N 3.49Å; Y391-A393 HydrophobicContact CD1-CB 4.41Å; Y391-A393 PolarHBondContact O-N 2.99Å; Y391-G394 PolarHBondContact O-N 3.12Å
392	R	67.8	Low	78.6	Confident	38 Å²	38	33.6 Å²	33.6	14%	0.143	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	1.1	-46.8	168.5	-50.6	-174.7	80	-174.8	11.1	119.5	E144 T152 S390 G394 E395	E144-R392 IonicContact OE1-NH1 3.35Å; E144-R392 PolarHBondContact OE1-NH1 3.25Å; T152-R392 PolarHBondContact O-NH2 2.78Å; T152-R392 PolarHBondContact OG1-NH2 2.81Å; S390-R392 PolarHBondContact O-N 2.82Å; R392-G394 PolarHBondContact O-N 3.37Å; R392-E395 WeakPolarHBondContact CA-OE1 3.49Å; R392-E395 PolarHBondContact O-N 2.92Å; R392-E395 VanDerWaalsContact O-N 3.08Å
393	A	48.7	Very low	78.2	Confident	38 Å²	38	35.8 Å²	35.8	31%	0.314	17%	0.173	S	C	.	.	H	α-helix	trans	-61.8	-28.2	-171.4	0	0	0	0	0	112.9	Y380 Y391	Y380-A393 WeakPolarHBondContact OH-CB 3.26Å; Y380-A393 PolarHBondContact OH-O 3.13Å; Y391-A393 HydrophobicContact CD1-CB 4.41Å; Y391-A393 PolarHBondContact O-N 2.99Å
394	G	58.3	Low	77.5	Confident	3 Å²	3	38 Å²	38	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-70.4	-28.1	176.2	0	0	0	0	0	114.3	Y391 R392 Y397 I398	Y391-G394 PolarHBondContact O-N 3.12Å; R392-G394 PolarHBondContact O-N 3.37Å; G394-Y397 PolarHBondContact O-N 3.07Å; G394-I398 WeakPolarHBondContact O-CA 3.33Å; G394-I398 WeakPolarHBondContact O-CB 3.37Å; G394-I398 WeakPolarHBondContact O-CD1 3.35Å; G394-I398 WeakPolarHBondContact O-CG1 3.38Å; G394-I398 PolarHBondContact O-N 3.21Å
395	E	68.4	Low	76.9	Confident	22 Å²	22	39.5 Å²	39.5	10%	0.103	19%	0.185	C	C	.	.	H	α-helix	trans	-70.7	-43.5	-163.1	-69.3	166.7	-141.2	0	0	113.5	T155 Y202 R392 Y397 K399	T155-E395 WeakPolarHBondContact CB-OE1 3.33Å; T155-E395 WeakPolarHBondContact CG2-OE1 3.37Å; T155-E395 PolarHBondContact OG1-OE1 3.07Å; T155-E395 PolarHBondContact OG1-OE2 3.01Å; Y202-E395 HydrophobicContact CD1-CG 3.63Å; Y202-E395 HydrophobicContact CD2-CB 4.02Å; Y202-E395 HydrophobicContact CD2-CG 3.84Å; Y202-E395 HydrophobicContact CE1-CG 3.82Å; Y202-E395 HydrophobicContact CE2-CB 4.31Å; Y202-E395 HydrophobicContact CE2-CG 4.01Å; Y202-E395 HydrophobicContact CG-CB 4.18Å; Y202-E395 HydrophobicContact CG-CG 3.64Å; R392-E395 WeakPolarHBondContact CA-OE1 3.49Å; R392-E395 PolarHBondContact O-N 2.92Å; R392-E395 VanDerWaalsContact O-N 3.08Å; E395-Y397 VanDerWaalsContact C-N 3.34Å; E395-Y397 PolarHBondContact O-N 3.44Å; E395-K399 WeakPolarHBondContact O-CB 3.42Å; E395-K399 PolarHBondContact O-N 3.02Å
396	Y	64.5	Low	76.2	Confident	192 Å²	192	41.4 Å²	41.4	75%	0.753	19%	0.191	S	C	*	.	H	α-helix	trans	-63.4	-44.8	178.6	-176.3	-95.8	0	0	0	111	H400	Y396-H400 PolarHBondContact O-N 3.45Å
397	Y	69.7	Low	75.6	Confident	37 Å²	37	48 Å²	48	15%	0.145	21%	0.213	C	C	.	.	H	α-helix	trans	-72.5	-43.3	-177.7	-168.7	-89.7	0	0	0	111.9	F61 I65 L379 Y380 G394 E395 H400 I401	F61-Y397 AromaticContact CE1-CE2 3.94Å; F61-Y397 HydrophobicContact CE1-CE2 3.94Å; F61-Y397 HydrophobicContact CZ-CD2 4.35Å; F61-Y397 AromaticContact CZ-CE2 3.82Å; F61-Y397 HydrophobicContact CZ-CE2 3.82Å; I65-Y397 HydrophobicContact CD1-CE2 4.42Å; L379-Y397 HydrophobicContact CB-CE1 4.37Å; L379-Y397 WeakPolarHBondContact O-CE1 3.26Å; L379-Y397 PolarHBondContact O-OH 3.06Å; Y380-Y397 VanDerWaalsContact CB-CD1 3.47Å; Y380-Y397 AromaticContact CD2-CD1 3.55Å; Y380-Y397 HydrophobicContact CD2-CD1 3.55Å; Y380-Y397 HydrophobicContact CD2-CD2 4.3Å; Y380-Y397 HydrophobicContact CD2-CE1 4.14Å; Y380-Y397 AromaticContact CD2-CG 3.62Å; Y380-Y397 HydrophobicContact CD2-CG 3.62Å; Y380-Y397 HydrophobicContact CE2-CG 4.26Å; Y380-Y397 AromaticContact CG-CD1 3.71Å; Y380-Y397 HydrophobicContact CG-CD1 3.71Å; Y380-Y397 HydrophobicContact CG-CE1 4.29Å; Y380-Y397 HydrophobicContact CG-CG 4.2Å; G394-Y397 PolarHBondContact O-N 3.07Å; E395-Y397 VanDerWaalsContact C-N 3.34Å; E395-Y397 PolarHBondContact O-N 3.44Å; Y397-H400 WeakPolarHBondContact O-CB 3.03Å; Y397-H400 PolarHBondContact O-N 3.05Å; Y397-I401 HydrophobicContact CD1-CD1 3.42Å; Y397-I401 VanDerWaalsContact CD1-CD1 3.42Å; Y397-I401 HydrophobicContact CD1-CG1 3.95Å; Y397-I401 HydrophobicContact CE1-CD1 3.34Å; Y397-I401 HydrophobicContact CE1-CG1 3.72Å; Y397-I401 WeakPolarHBondContact O-CG1 3.37Å; Y397-I401 PolarHBondContact O-N 3.08Å
398	I	75.9	Confident	74.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.9	-43.4	175	-71.3	169.5	0	0	0	110.3	Y202 V261 K313 G394 H400 I401 I402	Y202-I398 HydrophobicContact CE2-CB 4.47Å; Y202-I398 HydrophobicContact CE2-CG2 4.01Å; V261-I398 HydrophobicContact CG2-CG2 3.46Å; V261-I398 VanDerWaalsContact CG2-CG2 3.46Å; K313-I398 HydrophobicContact CD-CD1 4.23Å; G394-I398 WeakPolarHBondContact O-CA 3.33Å; G394-I398 WeakPolarHBondContact O-CB 3.37Å; G394-I398 WeakPolarHBondContact O-CD1 3.35Å; G394-I398 WeakPolarHBondContact O-CG1 3.38Å; G394-I398 PolarHBondContact O-N 3.21Å; I398-H400 VanDerWaalsContact C-N 3.29Å; I398-H400 PolarHBondContact O-N 3.29Å; I398-I401 PolarHBondContact O-N 3.36Å; I398-I402 HydrophobicContact CG2-CD1 3.38Å; I398-I402 HydrophobicContact CG2-CG1 4.16Å; I398-I402 WeakPolarHBondContact O-CB 3.41Å; I398-I402 VanDerWaalsContact O-CD1 3.31Å; I398-I402 WeakPolarHBondContact O-CD1 3.45Å; I398-I402 WeakPolarHBondContact O-CG1 3.33Å; I398-I402 PolarHBondContact O-N 3.45Å
399	K	78.9	Confident	72.9	Confident	74 Å²	74	54.3 Å²	54.3	32%	0.322	25%	0.245	S	C	.	.	H	α-helix	trans	-55	-47.1	173	178.2	166.4	-173.7	179.9	0	110.7	D201 I236 E395 I401 I402 D403	D201-K399 IonicContact OD2-NZ 2.73Å; D201-K399 PolarHBondContact OD2-NZ 3.48Å; I236-K399 HydrophobicContact CD1-CB 3.63Å; I236-K399 HydrophobicContact CD1-CD 4.09Å; I236-K399 HydrophobicContact CD1-CG 3.58Å; E395-K399 WeakPolarHBondContact O-CB 3.42Å; E395-K399 PolarHBondContact O-N 3.02Å; K399-I401 PolarHBondContact O-N 3.32Å; K399-I402 PolarHBondContact O-N 3.34Å; K399-D403 WeakPolarHBondContact O-CB 3.48Å; K399-D403 PolarHBondContact O-N 2.87Å
400	H	79.5	Confident	71.1	Confident	50 Å²	50	62.8 Å²	62.8	23%	0.231	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-44.7	176.2	-168.4	78.2	0	0	0	113.3	F61 Y396 Y397 I398 I402 D403 Q404	F61-H400 AromaticContact CD2-CD2 3.89Å; F61-H400 AromaticContact CD2-CE1 3.97Å; F61-H400 AromaticContact CD2-NE2 3.32Å; F61-H400 VanDerWaalsContact CD2-NE2 3.32Å; F61-H400 WeakPolarHBondContact CD2-NE2 3.47Å; F61-H400 AromaticContact CE2-CD2 3.22Å; F61-H400 WeakPolarHBondContact CE2-CD2 3.41Å; F61-H400 AromaticContact CE2-CE1 3.78Å; F61-H400 AromaticContact CE2-CG 3.9Å; F61-H400 AromaticContact CE2-NE2 3.15Å; F61-H400 WeakPolarHBondContact CE2-NE2 3.36Å; F61-H400 AromaticContact CZ-CD2 3.38Å; F61-H400 WeakPolarHBondContact CZ-CD2 3.41Å; F61-H400 AromaticContact CZ-NE2 3.75Å; Y396-H400 PolarHBondContact O-N 3.45Å; Y397-H400 WeakPolarHBondContact O-CB 3.03Å; Y397-H400 PolarHBondContact O-N 3.05Å; I398-H400 VanDerWaalsContact C-N 3.29Å; I398-H400 PolarHBondContact O-N 3.29Å; H400-I402 VanDerWaalsContact C-N 3.34Å; H400-I402 PolarHBondContact O-N 2.67Å; H400-D403 PolarHBondContact O-N 3.27Å; H400-Q404 PolarHBondContact CD2-NE2 3.4Å; H400-Q404 PolarHBondContact NE2-NE2 3.06Å; H400-Q404 WeakPolarHBondContact O-CG 3.22Å; H400-Q404 PolarHBondContact O-N 3.07Å
401	I	80.7	Confident	70.6	Confident	12 Å²	12	65.1 Å²	65.1	6%	0.062	30%	0.295	C	S	.	.	H	α-helix	trans	-59	-47	175.4	-65.3	157.9	0	0	0	110.6	V311 L379 Y397 I398 K399 Q404 R405	V311-I401 HydrophobicContact CG2-CG2 4.08Å; L379-I401 HydrophobicContact CB-CD1 3.87Å; L379-I401 HydrophobicContact CD1-CD1 4.14Å; L379-I401 HydrophobicContact CD1-CG1 4.46Å; L379-I401 HydrophobicContact CD1-CG2 3.91Å; Y397-I401 HydrophobicContact CD1-CD1 3.42Å; Y397-I401 VanDerWaalsContact CD1-CD1 3.42Å; Y397-I401 HydrophobicContact CD1-CG1 3.95Å; Y397-I401 HydrophobicContact CE1-CD1 3.34Å; Y397-I401 HydrophobicContact CE1-CG1 3.72Å; Y397-I401 WeakPolarHBondContact O-CG1 3.37Å; Y397-I401 PolarHBondContact O-N 3.08Å; I398-I401 PolarHBondContact O-N 3.36Å; K399-I401 PolarHBondContact O-N 3.32Å; I401-Q404 PolarHBondContact O-N 2.85Å; I401-R405 HydrophobicContact CG2-CG 4.42Å; I401-R405 WeakPolarHBondContact O-CG 3.27Å; I401-R405 PolarHBondContact O-N 3.28Å
402	I	79.4	Confident	70.7	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-46	-178.4	-68	157.5	0	0	0	109.9	I236 E260 V261 V311 I398 K399 H400 Q404 R405 K406	I236-I402 HydrophobicContact CD1-CD1 4.05Å; I236-I402 HydrophobicContact CG1-CD1 4.37Å; I236-I402 HydrophobicContact CG2-CD1 3.58Å; E260-I402 HydrophobicContact CB-CD1 3.58Å; E260-I402 HydrophobicContact CB-CG1 4.19Å; E260-I402 HydrophobicContact CB-CG2 4.47Å; E260-I402 HydrophobicContact CG-CD1 3.96Å; E260-I402 HydrophobicContact CG-CG1 4.4Å; E260-I402 HydrophobicContact CG-CG2 3.78Å; V261-I402 HydrophobicContact CG2-CD1 4.28Å; V311-I402 HydrophobicContact CG2-CG1 4.08Å; I398-I402 HydrophobicContact CG2-CD1 3.38Å; I398-I402 HydrophobicContact CG2-CG1 4.16Å; I398-I402 WeakPolarHBondContact O-CB 3.41Å; I398-I402 VanDerWaalsContact O-CD1 3.31Å; I398-I402 WeakPolarHBondContact O-CD1 3.45Å; I398-I402 WeakPolarHBondContact O-CG1 3.33Å; I398-I402 PolarHBondContact O-N 3.45Å; K399-I402 PolarHBondContact O-N 3.34Å; H400-I402 VanDerWaalsContact C-N 3.34Å; H400-I402 PolarHBondContact O-N 2.67Å; I402-Q404 VanDerWaalsContact C-N 3.3Å; I402-Q404 PolarHBondContact O-N 3.2Å; I402-R405 PolarHBondContact O-N 3.29Å; I402-R405 VanDerWaalsContact O-N 3.12Å; I402-K406 HydrophobicContact CG2-CD 3.9Å; I402-K406 HydrophobicContact CG2-CG 4.23Å; I402-K406 WeakPolarHBondContact O-CB 3.42Å; I402-K406 WeakPolarHBondContact O-CG 3.31Å; I402-K406 PolarHBondContact O-N 3.09Å
403	D	83.7	Confident	70.8	Confident	52 Å²	52	67.8 Å²	67.8	28%	0.278	31%	0.311	S	S	.	.	H	α-helix	trans	-60.3	-41.4	178.3	-70.9	-15.5	0	0	0	110.9	K399 H400 R407	K399-D403 WeakPolarHBondContact O-CB 3.48Å; K399-D403 PolarHBondContact O-N 2.87Å; H400-D403 PolarHBondContact O-N 3.27Å; D403-R407 WeakPolarHBondContact O-CB 3.15Å; D403-R407 VanDerWaalsContact O-CG 3.22Å; D403-R407 WeakPolarHBondContact O-CG 3.49Å; D403-R407 PolarHBondContact O-N 3.49Å
404	Q	80.9	Confident	72.1	Confident	52 Å²	52	69.5 Å²	69.5	24%	0.243	31%	0.31	C	S	.	.	H	α-helix	trans	-62.9	-43.7	173	-74	-171.8	-4.4	0	0	112.4	H400 I401 I402 R407 K408	H400-Q404 PolarHBondContact CD2-NE2 3.4Å; H400-Q404 PolarHBondContact NE2-NE2 3.06Å; H400-Q404 WeakPolarHBondContact O-CG 3.22Å; H400-Q404 PolarHBondContact O-N 3.07Å; I401-Q404 PolarHBondContact O-N 2.85Å; I402-Q404 VanDerWaalsContact C-N 3.3Å; I402-Q404 PolarHBondContact O-N 3.2Å; Q404-R407 PolarHBondContact O-N 2.9Å; Q404-K408 WeakPolarHBondContact O-CG 3.43Å; Q404-K408 PolarHBondContact O-N 3.13Å; Q404-K408 VanDerWaalsContact O-N 3.07Å
405	R	80.5	Confident	73	Confident	40 Å²	40	73.7 Å²	73.7	15%	0.151	33%	0.328	C	S	.	.	H	α-helix	trans	-64.4	-43.2	178.2	-74.7	-178	-179.9	-176.6	4.8	111.7	L309 V310 V311 D340 I401 I402 R407 K408	L309-R405 WeakPolarHBondContact O-CD 3.37Å; L309-R405 PolarHBondContact O-NH1 3.02Å; V310-R405 VanDerWaalsContact C-NH1 3.29Å; V310-R405 PolarHBondContact O-NH1 3.02Å; V311-R405 VanDerWaalsContact CG2-NH1 3.31Å; D340-R405 VanDerWaalsContact CG-NH2 3.28Å; D340-R405 IonicContact OD1-NH2 3.28Å; D340-R405 PolarHBondContact OD1-NH2 3.38Å; D340-R405 IonicContact OD2-CZ 3.27Å; D340-R405 IonicContact OD2-NH1 3.47Å; D340-R405 IonicContact OD2-NH2 3.79Å; D340-R405 PolarHBondContact OD2-NH2 2.98Å; I401-R405 HydrophobicContact CG2-CG 4.42Å; I401-R405 WeakPolarHBondContact O-CG 3.27Å; I401-R405 PolarHBondContact O-N 3.28Å; I402-R405 PolarHBondContact O-N 3.29Å; I402-R405 VanDerWaalsContact O-N 3.12Å; R405-R407 VanDerWaalsContact C-N 3.33Å; R405-R407 PolarHBondContact O-N 3.02Å; R405-K408 PolarHBondContact O-N 3.24Å
406	K	79.2	Confident	73.3	Confident	61 Å²	61	77.1 Å²	77.1	27%	0.265	34%	0.343	S	S	.	.	H	α-helix	trans	-63.7	-37.9	176.6	-72.9	-178.3	177.1	-179.8	0	111.6	E260 F308 I402	E260-K406 IonicContact OE1-NZ 2.94Å; E260-K406 PolarHBondContact OE1-NZ 3.35Å; F308-K406 HydrophobicContact CB-CG 4.19Å; F308-K406 HydrophobicContact CD1-CG 4.16Å; F308-K406 HydrophobicContact CG-CG 4.34Å; I402-K406 HydrophobicContact CG2-CD 3.9Å; I402-K406 HydrophobicContact CG2-CG 4.23Å; I402-K406 WeakPolarHBondContact O-CB 3.42Å; I402-K406 WeakPolarHBondContact O-CG 3.31Å; I402-K406 PolarHBondContact O-N 3.09Å
407	R	77.6	Confident	73.9	Confident	178 Å²	178	68.9 Å²	68.9	67%	0.672	31%	0.313	S	S	*	.	H	α-helix	trans	-72.4	-29.2	177.2	-73.1	174.6	-166.6	173.3	5.7	114.7	D403 Q404 R405 N409	D403-R407 WeakPolarHBondContact O-CB 3.15Å; D403-R407 VanDerWaalsContact O-CG 3.22Å; D403-R407 WeakPolarHBondContact O-CG 3.49Å; D403-R407 PolarHBondContact O-N 3.49Å; Q404-R407 PolarHBondContact O-N 2.9Å; R405-R407 VanDerWaalsContact C-N 3.33Å; R405-R407 PolarHBondContact O-N 3.02Å; R407-N409 VanDerWaalsContact C-N 3.33Å
408	K	67.4	Low	74.3	Confident	123 Å²	123	71.4 Å²	71.4	54%	0.535	33%	0.326	S	S	.	.	H	α-helix	trans	-78.9	-16	-179.9	-75.7	-176.3	-177.8	-173.2	0	113.7	Q404 R405	Q404-K408 WeakPolarHBondContact O-CG 3.43Å; Q404-K408 PolarHBondContact O-N 3.13Å; Q404-K408 VanDerWaalsContact O-N 3.07Å; R405-K408 PolarHBondContact O-N 3.24Å
409	N	56.1	Low	74.1	Confident	85 Å²	85	77.3 Å²	77.3	46%	0.455	35%	0.354	S	S	.	.			trans	-106.9	2.9	-176.3	-72	-7.7	0	0	0	113.5	D307 R407	D307-N409 WeakPolarHBondContact O-CB 3.33Å; D307-N409 PolarHBondContact O-ND2 3.19Å; R407-N409 VanDerWaalsContact C-N 3.33Å
410	I	45.8	Very low	73.7	Confident	199 Å²	199	77.6 Å²	77.6	100%	1.021	36%	0.357	S	S	*	.			trans	-101.7	0	163.3	-59	168.3	0	0	0	106.2

Retrieved 410 of 410 residues in 114.5 ms (Link to these results)

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