A0A3Q0KC81_SCHMA Loading...

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 A0A3Q0KC81, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 410 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.9	Very low	39.3	Very low	248 Å²	248	149.7 Å²	149.7	100%	1.222	82%	0.819	S	S	*	*				0	118.8	0	-90.7	174.9	163.3	0	0	108.3
2	G	39.6	Very low	38.7	Very low	64 Å²	64	153 Å²	153	66%	0.66	82%	0.82	S	S	*	*			trans	70.2	96.5	163.4	0	0	0	0	0	117
3	L	39.8	Very low	38.3	Very low	156 Å²	156	149.4 Å²	149.4	82%	0.817	81%	0.81	S	S	*	*				62.1	133.4	85.5	-79.6	78.7	0	0	0	112.5
4	L	40.1	Very low	37.9	Very low	143 Å²	143	148.3 Å²	148.3	75%	0.749	81%	0.81	S	S	*	*			cis	-175.5	134.3	4.5	-104	155.9	0	0	0	106.6
5	L	38.6	Very low	37.6	Very low	159 Å²	159	149.2 Å²	149.2	83%	0.832	81%	0.813	S	S	*	*			trans	-99.8	169.4	141.9	-76.9	169.2	0	0	0	105.7
6	P	44.8	Very low	37	Very low	99 Å²	99	145.3 Å²	145.3	64%	0.643	81%	0.806	S	S	*	*			cis	-158.9	-169	32.7	43.4	-19.4	0	0	0	117.8
7	R	36.1	Very low	36.7	Very low	239 Å²	239	143.9 Å²	143.9	90%	0.902	81%	0.809	S	S	*	*			trans	68.7	122.9	147.2	-78.4	170.9	-177.4	-173.1	0.3	120.9
8	G	44.2	Very low	36.1	Very low	81 Å²	81	144 Å²	144	84%	0.835	81%	0.813	S	S	*	*			trans	-163.3	103.2	157.6	0	0	0	0	0	110.6
9	S	35.5	Very low	35.7	Very low	98 Å²	98	142.4 Å²	142.4	69%	0.685	81%	0.812	S	S	*	*			trans	-87.9	141.1	-175.1	-43.2	0	0	0	0	111.6
10	Y	38	Very low	35.4	Very low	240 Å²	240	140.5 Å²	140.5	94%	0.941	82%	0.815	S	S	*	*			trans	-138.2	122.1	150.3	-89.3	-82.8	0	0	0	110
11	V	31.2	Very low	35.1	Very low	120 Å²	120	137.9 Å²	137.9	73%	0.727	81%	0.81	S	S	*	*			trans	-117.6	160.3	177.2	175.5	0	0	0	0	106.8
12	F	32.4	Very low	34.3	Very low	189 Å²	189	132.7 Å²	132.7	83%	0.829	79%	0.792	S	S	*	*			trans	113	144.8	163.6	-77.1	-93	0	0	0	115.1
13	P	34	Very low	33.7	Very low	106 Å²	106	139.5 Å²	139.5	69%	0.688	80%	0.803	S	S	*	*			cis	-142	172.1	-42.2	34.4	-15.5	0	0	0	115.4
14	V	32.7	Very low	33.2	Very low	134 Å²	134	144.1 Å²	144.1	81%	0.812	81%	0.81	S	S	*	*			trans	-52.9	131.4	162.8	173.8	0	0	0	0	112.9
15	L	32.8	Very low	32.6	Very low	162 Å²	162	149.3 Å²	149.3	85%	0.848	82%	0.82	S	S	*	*			trans	-154.7	100.7	152.3	-90.1	168.4	0	0	0	106.3
16	A	28.6	Very low	32.1	Very low	86 Å²	86	145.9 Å²	145.9	71%	0.711	81%	0.814	S	S	*	*				57	91.3	84.5	0	0	0	0	0	114
17	S	30.8	Very low	31.3	Very low	123 Å²	123	149.5 Å²	149.5	86%	0.86	82%	0.823	S	S	*	*			trans	-149.4	101.2	139.9	59.9	0	0	0	0	110.7
18	V	27.3	Very low	30.7	Very low	145 Å²	145	149.8 Å²	149.8	88%	0.879	82%	0.824	S	S	*	*			trans	-67	148.8	158.7	171.9	0	0	0	0	108
19	S	27	Very low	29.9	Very low	113 Å²	113	150.1 Å²	150.1	79%	0.79	81%	0.813	S	S	*	*			trans	102.8	96.3	160.4	-159.5	0	0	0	0	117.3
20	A	31.1	Very low	29.5	Very low	105 Å²	105	156.1 Å²	156.1	87%	0.868	82%	0.823	S	S	*	*				-167.5	39.1	129.8	0	0	0	0	0	111.8
21	A	28	Very low	29	Very low	85 Å²	85	152 Å²	152	70%	0.702	82%	0.815	S	S	*	*	S	Bend	trans	-96.2	128.4	158.7	0	0	0	0	0	106.3
22	T	27	Very low	28.7	Very low	139 Å²	139	154.6 Å²	154.6	85%	0.853	82%	0.817	S	S	*	*	S	Bend	trans	83.3	80	179.8	-21.4	0	0	0	0	115.6
23	K	27.8	Very low	28.7	Very low	207 Å²	207	152.1 Å²	152.1	90%	0.9	81%	0.811	S	S	*	*			trans	165	83.8	145.1	-95.5	173.9	-180	-179.1	0	110.5
24	R	29.8	Very low	28.2	Very low	254 Å²	254	153.3 Å²	153.3	96%	0.958	81%	0.811	S	S	*	*			trans	-147.9	77	146.2	-71.4	-160.3	-165.5	-161.6	4.1	108.3
25	R	27.5	Very low	28.1	Very low	252 Å²	252	153.7 Å²	153.7	95%	0.951	81%	0.807	S	S	*	*			trans	-122.7	72.9	165.1	-161.6	-177.1	-163.5	-175.8	5.2	105.6
26	A	27.8	Very low	27.9	Very low	87 Å²	87	151.9 Å²	151.9	72%	0.719	80%	0.803	S	S	*	*			trans	-179.8	146.7	168.3	0	0	0	0	0	107
27	E	26.8	Very low	27.9	Very low	174 Å²	174	155.5 Å²	155.5	81%	0.813	81%	0.805	S	S	*	*			trans	83.7	67.8	179.1	-55.7	-178.3	169.2	0	0	115.8
28	W	25.5	Very low	27.9	Very low	246 Å²	246	155.2 Å²	155.2	93%	0.932	80%	0.803	S	S	*	*			trans	-86.7	90.1	143.5	-86.7	35.9	0	0	0	107.6
29	S	26.9	Very low	27.9	Very low	88 Å²	88	158.8 Å²	158.8	62%	0.615	80%	0.802	S	S	*	*			trans	-105	128.8	167.1	35	0	0	0	0	108.7	I31	S29-I31 PolarHBondContact O-N 2.98Å
30	Y	26.7	Very low	28.2	Very low	224 Å²	224	159 Å²	159	88%	0.878	80%	0.804	S	S	*	*			trans	-27.8	113.9	175.3	-76.6	-100.2	0	0	0	114.7	K32	Y30-K32 PolarHBondContact O-N 2.63Å
31	I	28	Very low	28.2	Very low	152 Å²	152	158.5 Å²	158.5	78%	0.779	79%	0.794	S	S	*	*			trans	-81.9	94.6	156.4	-67.1	175.6	0	0	0	107	S29 I33	S29-I31 PolarHBondContact O-N 2.98Å; I31-I33 HydrophobicContact CG2-CD1 4.28Å; I31-I33 HydrophobicContact CG2-CG1 3.73Å
32	K	24.8	Very low	28.4	Very low	175 Å²	175	161.5 Å²	161.5	76%	0.761	80%	0.798	S	S	*	*			trans	-76.5	111.8	152.5	-83.4	-177.3	174.8	-179.4	0	106.6	Y30 N34	Y30-K32 PolarHBondContact O-N 2.63Å; K32-N34 PolarHBondContact O-N 3.5Å
33	I	30.9	Very low	28.7	Very low	137 Å²	137	160.9 Å²	160.9	70%	0.703	79%	0.79	S	S	*	*			trans	-82.3	97.2	161.3	-67.9	167.7	0	0	0	106.3	I31 I35	I31-I33 HydrophobicContact CG2-CD1 4.28Å; I31-I33 HydrophobicContact CG2-CG1 3.73Å; I33-I35 HydrophobicContact CG2-CD1 4.26Å; I33-I35 HydrophobicContact CG2-CG1 3.76Å
34	N	24.2	Very low	28.9	Very low	131 Å²	131	159.7 Å²	159.7	70%	0.701	78%	0.784	S	S	*	*			trans	-84.1	118.3	157.5	-86.6	-16.3	0	0	0	106.7	K32	K32-N34 PolarHBondContact O-N 3.5Å
35	I	32	Very low	28.8	Very low	143 Å²	143	152.9 Å²	152.9	73%	0.733	78%	0.776	S	S	*	*			trans	-96.7	100.2	162.9	-59.4	178	0	0	0	106.1	I33	I33-I35 HydrophobicContact CG2-CD1 4.26Å; I33-I35 HydrophobicContact CG2-CG1 3.76Å
36	T	27	Very low	29.1	Very low	124 Å²	124	146 Å²	146	76%	0.761	77%	0.767	S	S	*	*			trans	-89.8	113.3	169.9	42.9	0	0	0	0	109
37	H	28.8	Very low	29.1	Very low	161 Å²	161	150.8 Å²	150.8	75%	0.745	77%	0.774	S	S	*	*			trans	-80.3	121.4	163.4	-95.3	-91.6	0	0	0	109.3
38	S	30.9	Very low	29.4	Very low	118 Å²	118	151.9 Å²	151.9	83%	0.825	78%	0.776	S	S	*	*			trans	-101.2	113.1	164.2	55.1	0	0	0	0	109.3
39	Y	28.5	Very low	29.7	Very low	220 Å²	220	149.7 Å²	149.7	86%	0.863	78%	0.777	S	S	*	*			trans	-81.5	133.3	167.9	-92.4	-96.5	0	0	0	109.9
40	S	33.3	Very low	30.1	Very low	118 Å²	118	154.9 Å²	154.9	83%	0.825	79%	0.791	S	S	*	*			trans	-140.4	129.6	155.1	-176	0	0	0	0	109
41	S	30.6	Very low	30.4	Very low	94 Å²	94	151.8 Å²	151.8	66%	0.657	79%	0.79	S	S	*	*			trans	-71.4	132.3	-169.8	43.3	0	0	0	0	114.8
42	N	31.5	Very low	30.6	Very low	147 Å²	147	151.5 Å²	151.5	79%	0.786	79%	0.79	S	S	*	*				171	147.1	111.8	-90.7	-16.5	0	0	0	112.5
43	D	33.3	Very low	31.2	Very low	126 Å²	126	148 Å²	148	67%	0.674	79%	0.785	S	S	*	*			trans	83	99	157.5	-72	-43	0	0	0	121.4
44	K	31.6	Very low	31.6	Very low	182 Å²	182	147.4 Å²	147.4	79%	0.791	79%	0.788	S	S	*	*				65.3	114	123.4	-67.5	-179.8	-175.7	175.4	0	120.1
45	S	28.7	Very low	32.6	Very low	111 Å²	111	148.2 Å²	148.2	78%	0.776	79%	0.787	S	S	*	*			trans	63.2	98.4	140.2	60	0	0	0	0	118.1
46	S	33	Very low	33.4	Very low	109 Å²	109	150.2 Å²	150.2	76%	0.762	79%	0.791	S	S	*	*				170.5	141.7	120.6	42.9	0	0	0	0	109.8
47	E	28.5	Very low	34.6	Very low	186 Å²	186	148.4 Å²	148.4	87%	0.869	78%	0.776	S	S	*	*			trans	-63.6	122.3	-174.9	-63.4	159.6	145.1	0	0	112
48	F	32.7	Very low	36.4	Very low	197 Å²	197	143.4 Å²	143.4	86%	0.864	76%	0.759	S	S	*	*			trans	-148.7	107.8	157.1	-80.8	-76	0	0	0	109.6
49	E	32.6	Very low	37.9	Very low	201 Å²	201	142.7 Å²	142.7	94%	0.939	75%	0.751	S	S	*	*			trans	-73.4	121.5	167.9	-71.7	-176	147.2	0	0	109.5	D51	E49-D51 PolarHBondContact O-N 3.17Å
50	E	33.6	Very low	39.6	Very low	197 Å²	197	139.6 Å²	139.6	92%	0.921	75%	0.745	S	S	*	*			trans	-83.3	105.6	170.2	-96.1	-178.5	162.3	0	0	110
51	D	33.7	Very low	40.6	Very low	159 Å²	159	136.1 Å²	136.1	85%	0.85	72%	0.715	S	S	*	*			trans	-85.8	117	178.5	-150.7	6.6	0	0	0	110.3	E49 P53	E49-D51 PolarHBondContact O-N 3.17Å; D51-P53 WeakPolarHBondContact O-CD 3.47Å
52	N	33.3	Very low	42.2	Very low	145 Å²	145	136.3 Å²	136.3	78%	0.775	71%	0.706	S	S	*	*			trans	-106.9	100.7	-176.3	-156.2	-3.8	0	0	0	108.6	T54	N52-T54 PolarHBondContact O-N 2.8Å
53	P	35.6	Very low	43.8	Very low	101 Å²	101	136.2 Å²	136.2	66%	0.656	70%	0.698	S	S	*	*			trans	-88.2	79.9	-167.4	34.2	-33.1	0	0	0	111.2	D51 Q55	D51-P53 WeakPolarHBondContact O-CD 3.47Å; P53-Q55 VanDerWaalsContact C-N 3.29Å; P53-Q55 PolarHBondContact O-N 2.73Å
54	T	39.8	Very low	44.9	Very low	125 Å²	125	133 Å²	133	77%	0.767	69%	0.69	S	S	*	*			trans	-65.5	96.5	147.3	34.2	0	0	0	0	107.4	N52 K56	N52-T54 PolarHBondContact O-N 2.8Å; T54-K56 VanDerWaalsContact C-N 3.3Å; T54-K56 PolarHBondContact O-N 2.69Å
55	Q	45.8	Very low	46.2	Very low	149 Å²	149	128.7 Å²	128.7	70%	0.696	68%	0.678	S	S	*	*			trans	-60.9	89.8	177.6	-80.3	179.2	5	0	0	110.1	P53 L57 K408	P53-Q55 VanDerWaalsContact C-N 3.29Å; P53-Q55 PolarHBondContact O-N 2.73Å; Q55-L57 PolarHBondContact O-N 2.78Å; Q55-K408 VanDerWaalsContact CD-NZ 3.32Å; Q55-K408 VanDerWaalsContact NE2-NZ 3.16Å
56	K	47.6	Very low	47.9	Very low	185 Å²	185	127.2 Å²	127.2	80%	0.804	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-59.1	129.1	164.9	-78.7	178.1	176.9	173.6	0	107.9	T54	T54-K56 VanDerWaalsContact C-N 3.3Å; T54-K56 PolarHBondContact O-N 2.69Å
57	L	52.5	Low	49.3	Very low	86 Å²	86	129.4 Å²	129.4	45%	0.45	67%	0.671	S	S	.	*	P	Polyproline II helix	trans	-48.3	140.7	169.7	-69.5	165.4	0	0	0	109.7	Q55 F61 Q62	Q55-L57 PolarHBondContact O-N 2.78Å; L57-F61 HydrophobicContact CB-CD1 3.98Å; L57-F61 HydrophobicContact CD1-CD1 3.96Å; L57-F61 HydrophobicContact CD1-CE1 3.93Å; L57-F61 HydrophobicContact CD2-CD1 3.69Å; L57-F61 HydrophobicContact CD2-CE1 3.76Å; L57-F61 HydrophobicContact CG-CD1 4.08Å; L57-F61 HydrophobicContact CG-CE1 4.33Å; L57-Q62 HydrophobicContact CB-CG 4.02Å; L57-Q62 PolarHBondContact O-NE2 3.21Å
58	S	67.2	Low	50.6	Low	56 Å²	56	122 Å²	122	39%	0.392	64%	0.644	S	S	.	*	P	Polyproline II helix	trans	-55.3	144.6	-177.9	70.6	0	0	0	0	110.8	E60 F61 Q62	S58-E60 PolarHBondContact O-N 3.2Å; S58-E60 VanDerWaalsContact O-N 3.13Å; S58-F61 WeakPolarHBondContact O-CA 3.2Å; S58-F61 PolarHBondContact O-N 3.35Å; S58-F61 VanDerWaalsContact OG-CB 3.31Å; S58-F61 WeakPolarHBondContact OG-CB 3.48Å; S58-F61 PolarHBondContact OG-N 2.95Å; S58-F61 VanDerWaalsContact OG-N 3.12Å; S58-Q62 PolarHBondContact O-N 3.03Å
59	P	62.1	Low	51.6	Low	102 Å²	102	116.5 Å²	116.5	66%	0.662	63%	0.628	S	S	*	*	H	α-helix	trans	-55.5	-31.2	177.4	-25.5	33.8	0	0	0	112.8	K63	P59-K63 WeakPolarHBondContact O-CB 3.28Å; P59-K63 PolarHBondContact O-N 3.23Å
60	E	64.4	Low	53.1	Low	155 Å²	155	109.4 Å²	109.4	72%	0.724	60%	0.601	S	S	*	*	H	α-helix	trans	-67.2	-41	174.5	-68.4	161.3	168.8	0	0	112.1	S58 K63 A64	S58-E60 PolarHBondContact O-N 3.2Å; S58-E60 VanDerWaalsContact O-N 3.13Å; E60-K63 PolarHBondContact O-N 3.33Å; E60-A64 WeakPolarHBondContact O-CB 3.44Å; E60-A64 PolarHBondContact O-N 3.36Å
61	F	55.6	Low	54.2	Low	45 Å²	45	105 Å²	105	20%	0.197	58%	0.583	C	S	.	*	H	α-helix	trans	-72.1	-39.1	175	-175	-97.5	0	0	0	111.7	L57 S58 K63 A64 V65 H400	L57-F61 HydrophobicContact CB-CD1 3.98Å; L57-F61 HydrophobicContact CD1-CD1 3.96Å; L57-F61 HydrophobicContact CD1-CE1 3.93Å; L57-F61 HydrophobicContact CD2-CD1 3.69Å; L57-F61 HydrophobicContact CD2-CE1 3.76Å; L57-F61 HydrophobicContact CG-CD1 4.08Å; L57-F61 HydrophobicContact CG-CE1 4.33Å; S58-F61 WeakPolarHBondContact O-CA 3.2Å; S58-F61 PolarHBondContact O-N 3.35Å; S58-F61 VanDerWaalsContact OG-CB 3.31Å; S58-F61 WeakPolarHBondContact OG-CB 3.48Å; S58-F61 PolarHBondContact OG-N 2.95Å; S58-F61 VanDerWaalsContact OG-N 3.12Å; F61-K63 VanDerWaalsContact C-N 3.27Å; F61-K63 PolarHBondContact O-N 3.28Å; F61-A64 PolarHBondContact O-N 3.13Å; F61-A64 VanDerWaalsContact O-N 3.15Å; F61-V65 HydrophobicContact CD1-CG2 3.8Å; F61-V65 HydrophobicContact CD2-CG2 4.42Å; F61-V65 HydrophobicContact CE1-CG2 3.4Å; F61-V65 VanDerWaalsContact CE1-CG2 3.4Å; F61-V65 HydrophobicContact CE2-CG2 4.06Å; F61-V65 HydrophobicContact CG-CG2 4.31Å; F61-V65 HydrophobicContact CZ-CG2 3.55Å; F61-V65 WeakPolarHBondContact O-CB 3.31Å; F61-V65 WeakPolarHBondContact O-CG2 3.2Å; F61-V65 PolarHBondContact O-N 2.89Å; F61-H400 AromaticContact CD2-NE2 3.9Å; F61-H400 AromaticContact CE2-NE2 3.75Å
62	Q	62.3	Low	55.4	Low	99 Å²	99	100.9 Å²	100.9	46%	0.463	57%	0.567	S	S	.	*	H	α-helix	trans	-59.9	-40.6	172.1	-67.5	-178.9	22.3	0	0	110.9	L57 S58 A66	L57-Q62 HydrophobicContact CB-CG 4.02Å; L57-Q62 PolarHBondContact O-NE2 3.21Å; S58-Q62 PolarHBondContact O-N 3.03Å; Q62-A66 WeakPolarHBondContact O-CB 3.22Å; Q62-A66 PolarHBondContact O-N 3.26Å
63	K	65.9	Low	56.6	Low	144 Å²	144	98.7 Å²	98.7	63%	0.626	55%	0.551	S	S	*	*	H	α-helix	trans	-64	-46.7	170.4	-84.5	-177.9	175.9	179.9	0	111.8	P59 E60 F61 V65 A66 H67	P59-K63 WeakPolarHBondContact O-CB 3.28Å; P59-K63 PolarHBondContact O-N 3.23Å; E60-K63 PolarHBondContact O-N 3.33Å; F61-K63 VanDerWaalsContact C-N 3.27Å; F61-K63 PolarHBondContact O-N 3.28Å; K63-V65 VanDerWaalsContact C-N 3.34Å; K63-V65 PolarHBondContact O-N 3.14Å; K63-A66 PolarHBondContact O-N 3.24Å; K63-H67 PolarHBondContact O-N 2.95Å; K63-H67 PolarHBondContact O-ND1 3.05Å
64	A	56.4	Low	57.5	Low	60 Å²	60	99.6 Å²	99.6	50%	0.496	55%	0.545	S	S	.	.	H	α-helix	trans	-64.1	-36.9	-179.1	0	0	0	0	0	112.8	E60 F61 G68	E60-A64 WeakPolarHBondContact O-CB 3.44Å; E60-A64 PolarHBondContact O-N 3.36Å; F61-A64 PolarHBondContact O-N 3.13Å; F61-A64 VanDerWaalsContact O-N 3.15Å; A64-G68 PolarHBondContact O-N 3.01Å
65	V	59.4	Low	58.5	Low	90 Å²	90	98 Å²	98	55%	0.545	53%	0.531	S	S	.	.	H	α-helix	trans	-71.6	-38.7	173.6	172.9	0	0	0	0	111.1	F61 K63 H67 G68	F61-V65 HydrophobicContact CD1-CG2 3.8Å; F61-V65 HydrophobicContact CD2-CG2 4.42Å; F61-V65 HydrophobicContact CE1-CG2 3.4Å; F61-V65 VanDerWaalsContact CE1-CG2 3.4Å; F61-V65 HydrophobicContact CE2-CG2 4.06Å; F61-V65 HydrophobicContact CG-CG2 4.31Å; F61-V65 HydrophobicContact CZ-CG2 3.55Å; F61-V65 WeakPolarHBondContact O-CB 3.31Å; F61-V65 WeakPolarHBondContact O-CG2 3.2Å; F61-V65 PolarHBondContact O-N 2.89Å; K63-V65 VanDerWaalsContact C-N 3.34Å; K63-V65 PolarHBondContact O-N 3.14Å; V65-H67 VanDerWaalsContact C-N 3.29Å; V65-H67 PolarHBondContact O-N 3.33Å; V65-G68 PolarHBondContact O-N 3.07Å
66	A	65.1	Low	59.1	Low	80 Å²	80	97.8 Å²	97.8	66%	0.661	53%	0.528	S	S	*	.	H	α-helix	trans	-68.6	-24.9	176.4	0	0	0	0	0	113.7	Q62 K63	Q62-A66 WeakPolarHBondContact O-CB 3.22Å; Q62-A66 PolarHBondContact O-N 3.26Å; K63-A66 PolarHBondContact O-N 3.24Å
67	H	62.2	Low	59.3	Low	156 Å²	156	95.5 Å²	95.5	72%	0.722	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-0.4	177.6	-62	80.2	0	0	0	113.4	K63 V65	K63-H67 PolarHBondContact O-N 2.95Å; K63-H67 PolarHBondContact O-ND1 3.05Å; V65-H67 VanDerWaalsContact C-N 3.29Å; V65-H67 PolarHBondContact O-N 3.33Å
68	G	54.8	Low	59.1	Low	30 Å²	30	95.9 Å²	95.9	31%	0.309	53%	0.534	S	S	.	.	S	Bend	trans	-78.5	155.9	175.7	0	0	0	0	0	111.2	A64 V65 S70	A64-G68 PolarHBondContact O-N 3.01Å; V65-G68 PolarHBondContact O-N 3.07Å; G68-S70 PolarHBondContact O-N 3.26Å
69	P	53.4	Low	57.8	Low	81 Å²	81	98.7 Å²	98.7	53%	0.526	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-60.3	125.5	-179.5	24.6	-32	0	0	0	109.6	E73 F74	P69-E73 WeakPolarHBondContact CA-OE2 3.27Å; P69-E73 HydrophobicContact CB-CB 4.08Å; P69-F74 HydrophobicContact CB-CD2 4.5Å; P69-F74 HydrophobicContact CG-CD2 4.22Å; P69-F74 HydrophobicContact CG-CE2 4.49Å
70	S	64.3	Low	56.5	Low	53 Å²	53	100.9 Å²	100.9	37%	0.371	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-59.7	156	173.2	61.9	0	0	0	0	110.2	G68 S72 E73 F74	G68-S70 PolarHBondContact O-N 3.26Å; S70-S72 PolarHBondContact O-N 2.86Å; S70-S72 VanDerWaalsContact O-N 3.1Å; S70-E73 PolarHBondContact N-OE2 3.41Å; S70-E73 WeakPolarHBondContact O-CA 3.3Å; S70-E73 WeakPolarHBondContact O-CB 3.22Å; S70-E73 PolarHBondContact O-N 3.2Å; S70-E73 WeakPolarHBondContact OG-CG 3.21Å; S70-E73 PolarHBondContact OG-N 3.36Å; S70-E73 VanDerWaalsContact OG-N 3.17Å; S70-E73 PolarHBondContact OG-OE2 3.35Å; S70-F74 PolarHBondContact O-N 2.64Å
71	L	56.5	Low	55.3	Low	105 Å²	105	101.5 Å²	101.5	55%	0.55	56%	0.559	S	S	.	*	H	α-helix	trans	-50.8	-37.6	172.7	-178.7	64.9	0	0	0	111	F74 I75	L71-F74 WeakPolarHBondContact O-CB 3.24Å; L71-F74 PolarHBondContact O-N 2.84Å; L71-I75 HydrophobicContact CD1-CD1 4.43Å; L71-I75 HydrophobicContact CG-CD1 3.99Å; L71-I75 VanDerWaalsContact O-CG1 3.27Å; L71-I75 WeakPolarHBondContact O-CG1 3.41Å; L71-I75 PolarHBondContact O-N 3.34Å
72	S	59.3	Low	54.3	Low	72 Å²	72	108.6 Å²	108.6	50%	0.503	59%	0.593	S	S	.	*	H	α-helix	trans	-61.9	-39.3	174.7	-39.7	0	0	0	0	113.2	S70 K76	S70-S72 PolarHBondContact O-N 2.86Å; S70-S72 VanDerWaalsContact O-N 3.1Å; S72-K76 WeakPolarHBondContact O-CB 3.41Å; S72-K76 VanDerWaalsContact O-CG 3.24Å; S72-K76 WeakPolarHBondContact O-CG 3.47Å; S72-K76 PolarHBondContact O-N 2.82Å
73	E	59.3	Low	53.2	Low	98 Å²	98	109.6 Å²	109.6	46%	0.458	61%	0.61	S	S	.	*	H	α-helix	trans	-71.1	-36	174.8	-76.8	169.7	142.2	0	0	111.9	P69 S70 I75 K76 L77	P69-E73 WeakPolarHBondContact CA-OE2 3.27Å; P69-E73 HydrophobicContact CB-CB 4.08Å; S70-E73 PolarHBondContact N-OE2 3.41Å; S70-E73 WeakPolarHBondContact O-CA 3.3Å; S70-E73 WeakPolarHBondContact O-CB 3.22Å; S70-E73 PolarHBondContact O-N 3.2Å; S70-E73 WeakPolarHBondContact OG-CG 3.21Å; S70-E73 PolarHBondContact OG-N 3.36Å; S70-E73 VanDerWaalsContact OG-N 3.17Å; S70-E73 PolarHBondContact OG-OE2 3.35Å; E73-I75 VanDerWaalsContact C-N 3.34Å; E73-K76 PolarHBondContact O-N 3.08Å; E73-L77 WeakPolarHBondContact O-CD1 3.18Å; E73-L77 WeakPolarHBondContact O-CG 3.45Å; E73-L77 PolarHBondContact O-N 3.2Å
74	F	54.2	Low	51.5	Low	121 Å²	121	108.8 Å²	108.8	53%	0.531	62%	0.618	S	S	.	*	H	α-helix	trans	-63.6	-40.8	173.3	-132	-88.1	0	0	0	111.8	P69 S70 L71	P69-F74 HydrophobicContact CB-CD2 4.5Å; P69-F74 HydrophobicContact CG-CD2 4.22Å; P69-F74 HydrophobicContact CG-CE2 4.49Å; S70-F74 PolarHBondContact O-N 2.64Å; L71-F74 WeakPolarHBondContact O-CB 3.24Å; L71-F74 PolarHBondContact O-N 2.84Å
75	I	61.5	Low	50.6	Low	91 Å²	91	115.5 Å²	115.5	47%	0.467	64%	0.636	S	S	.	*	H	α-helix	trans	-69.3	-39	175.5	-67.5	166	0	0	0	111.2	L71 E73 S78 N79	L71-I75 HydrophobicContact CD1-CD1 4.43Å; L71-I75 HydrophobicContact CG-CD1 3.99Å; L71-I75 VanDerWaalsContact O-CG1 3.27Å; L71-I75 WeakPolarHBondContact O-CG1 3.41Å; L71-I75 PolarHBondContact O-N 3.34Å; E73-I75 VanDerWaalsContact C-N 3.34Å; I75-S78 PolarHBondContact O-N 3.5Å; I75-N79 PolarHBondContact O-N 3.43Å
76	K	57.8	Low	49.2	Very low	144 Å²	144	119.3 Å²	119.3	63%	0.626	65%	0.648	S	S	*	*	H	α-helix	trans	-65.3	-37.1	176.3	-78.2	174.5	-177	-179.1	0	112.8	S72 E73 S78 N79	S72-K76 WeakPolarHBondContact O-CB 3.41Å; S72-K76 VanDerWaalsContact O-CG 3.24Å; S72-K76 WeakPolarHBondContact O-CG 3.47Å; S72-K76 PolarHBondContact O-N 2.82Å; E73-K76 PolarHBondContact O-N 3.08Å; K76-S78 PolarHBondContact O-N 3.16Å; K76-N79 CarbonylContact O-C 3.46Å; K76-N79 PolarHBondContact O-N 3.13Å
77	L	51.9	Low	47.5	Very low	137 Å²	137	122.6 Å²	122.6	72%	0.717	65%	0.654	S	S	*	*	H	α-helix	trans	-62.6	-24.8	175.5	-81.3	157.8	0	0	0	112.9	E73	E73-L77 WeakPolarHBondContact O-CD1 3.18Å; E73-L77 WeakPolarHBondContact O-CG 3.45Å; E73-L77 PolarHBondContact O-N 3.2Å
78	S	47.4	Very low	46	Very low	95 Å²	95	124.8 Å²	124.8	66%	0.664	66%	0.662	S	S	*	*	H	α-helix	trans	-87.4	-16	174.6	-172.5	0	0	0	0	113.8	I75 K76	I75-S78 PolarHBondContact O-N 3.5Å; K76-S78 PolarHBondContact O-N 3.16Å
79	N	41	Very low	44.8	Very low	115 Å²	115	133.2 Å²	133.2	62%	0.615	69%	0.69	S	S	*	*			trans	-131.4	65.8	-170.8	-76	-33.7	0	0	0	111.3	I75 K76 N81	I75-N79 PolarHBondContact O-N 3.43Å; K76-N79 CarbonylContact O-C 3.46Å; K76-N79 PolarHBondContact O-N 3.13Å; N79-N81 VanDerWaalsContact C-N 3.34Å; N79-N81 PolarHBondContact O-N 3.09Å; N79-N81 VanDerWaalsContact O-N 3.17Å
80	N	35	Very low	43.9	Very low	147 Å²	147	134.4 Å²	134.4	79%	0.786	70%	0.7	S	S	*	*			trans	-81.6	82.9	163.6	-91.8	-19	0	0	0	109.8
81	N	39.1	Very low	42.8	Very low	168 Å²	168	136.2 Å²	136.2	90%	0.898	71%	0.713	S	S	*	*			trans	-153.1	114.5	148.1	-92.2	-31	0	0	0	108.6	N79	N79-N81 VanDerWaalsContact C-N 3.34Å; N79-N81 PolarHBondContact O-N 3.09Å; N79-N81 VanDerWaalsContact O-N 3.17Å
82	Q	34.6	Very low	42	Very low	195 Å²	195	137 Å²	137	91%	0.911	72%	0.724	S	S	*	*			trans	-70.4	139.8	-175.3	-68.9	171.1	-10.5	0	0	112.5
83	S	38.6	Very low	41.5	Very low	119 Å²	119	137 Å²	137	83%	0.832	73%	0.725	S	S	*	*				-168.7	133.7	128.4	52.7	0	0	0	0	111
84	T	30.4	Very low	41.1	Very low	128 Å²	128	135.3 Å²	135.3	79%	0.785	72%	0.724	S	S	*	*			trans	-80.1	145.4	-177.4	46.4	0	0	0	0	112.4
85	K	36.4	Very low	40.9	Very low	200 Å²	200	134.1 Å²	134.1	87%	0.87	73%	0.726	S	S	*	*				172.5	148.2	119.4	-94.8	177.4	179	-177.9	0	113.5
86	E	30.4	Very low	40.4	Very low	171 Å²	171	132.5 Å²	132.5	80%	0.799	72%	0.718	S	S	*	*			trans	-66.1	165.1	-173.6	-70.3	148.4	164.6	0	0	115.8
87	D	29.7	Very low	40	Very low	149 Å²	149	135.9 Å²	135.9	80%	0.797	73%	0.733	S	S	*	*			trans	72.5	97.8	156.1	-57.9	-23.6	0	0	0	119.7
88	F	31.1	Very low	40	Very low	202 Å²	202	132.3 Å²	132.3	89%	0.886	72%	0.719	S	S	*	*				-175.9	123.2	115.7	-135.3	-112	0	0	0	112.2	S90	F88-S90 PolarHBondContact O-N 3.35Å; F88-S90 VanDerWaalsContact O-N 3.14Å
89	F	29.5	Very low	40.6	Very low	207 Å²	207	130.8 Å²	130.8	91%	0.908	72%	0.719	S	S	*	*			trans	-62.2	108.1	166.9	-95.1	-100.6	0	0	0	110.5
90	S	34.5	Very low	41.6	Very low	105 Å²	105	133.2 Å²	133.2	73%	0.734	72%	0.724	S	S	*	*			trans	175.9	102.3	147.4	-80	0	0	0	0	108.8	F88 P92	F88-S90 PolarHBondContact O-N 3.35Å; F88-S90 VanDerWaalsContact O-N 3.14Å; S90-P92 VanDerWaalsContact O-CD 3.31Å; S90-P92 WeakPolarHBondContact O-CD 3.37Å
91	S	41.5	Very low	43.3	Very low	91 Å²	91	130.6 Å²	130.6	64%	0.636	72%	0.718	S	S	*	*			trans	-62.1	121.1	176.3	-51.5	0	0	0	0	110.4	S93	S91-S93 PolarHBondContact O-N 3.21Å; S91-S93 VanDerWaalsContact O-N 3.13Å
92	P	39.4	Very low	45.3	Very low	121 Å²	121	123.8 Å²	123.8	79%	0.786	68%	0.681	S	S	*	*			trans	-82.6	92.1	173.5	31.5	-28.4	0	0	0	108.8	S90 S94	S90-P92 VanDerWaalsContact O-CD 3.31Å; S90-P92 WeakPolarHBondContact O-CD 3.37Å; P92-S94 PolarHBondContact O-N 3.3Å
93	S	48.7	Very low	47.8	Very low	73 Å²	73	125.6 Å²	125.6	51%	0.51	68%	0.679	S	S	.	*			trans	-69	115.3	165.8	41.2	0	0	0	0	109.1	S91 V95 E359	S91-S93 PolarHBondContact O-N 3.21Å; S91-S93 VanDerWaalsContact O-N 3.13Å; S93-V95 VanDerWaalsContact C-N 3.26Å; S93-V95 PolarHBondContact O-N 3.38Å; S93-E359 WeakPolarHBondContact CB-OE1 3.38Å
94	S	50.4	Low	50.1	Low	63 Å²	63	123.6 Å²	123.6	44%	0.441	66%	0.659	S	S	.	*			trans	-79.7	72	179	58	0	0	0	0	111	P92 N96	P92-S94 PolarHBondContact O-N 3.3Å; S94-N96 PolarHBondContact O-N 2.97Å
95	V	51	Low	53	Low	95 Å²	95	118.5 Å²	118.5	58%	0.576	63%	0.628	S	S	*	*			trans	-74.7	117.3	175.7	-176.7	0	0	0	0	109.6	S93 K97	S93-V95 VanDerWaalsContact C-N 3.26Å; S93-V95 PolarHBondContact O-N 3.38Å; V95-K97 PolarHBondContact O-N 3.24Å
96	N	49.3	Very low	55.6	Low	58 Å²	58	115.3 Å²	115.3	31%	0.31	62%	0.616	S	S	.	*			trans	-83.4	108.7	-179.9	-146.8	-14.6	0	0	0	112.1	S94 S98 K100 L102	S94-N96 PolarHBondContact O-N 2.97Å; N96-S98 VanDerWaalsContact C-N 3.34Å; N96-S98 PolarHBondContact ND2-O 2.94Å; N96-S98 PolarHBondContact OD1-N 2.96Å; N96-S98 PolarHBondContact OD1-O 3.33Å; N96-S98 PolarHBondContact OD1-OG 2.93Å; N96-K100 PolarHBondContact ND2-O 3.27Å; N96-L102 HydrophobicContact CB-CD2 3.83Å; N96-L102 HydrophobicContact CB-CG 4.29Å
97	K	50	Low	58.5	Low	214 Å²	214	111.8 Å²	111.8	93%	0.93	60%	0.596	S	S	*	*	S	Bend	trans	-80.6	-14.6	168.2	-71.1	-176.5	179.5	176.7	0	113	V95	V95-K97 PolarHBondContact O-N 3.24Å
98	S	52.8	Low	61.3	Low	62 Å²	62	105.1 Å²	105.1	43%	0.434	56%	0.56	S	S	.	*	S	Bend	trans	-109.1	134.9	-179.2	75.1	0	0	0	0	109.5	N96 K100	N96-S98 VanDerWaalsContact C-N 3.34Å; N96-S98 PolarHBondContact ND2-O 2.94Å; N96-S98 PolarHBondContact OD1-N 2.96Å; N96-S98 PolarHBondContact OD1-O 3.33Å; N96-S98 PolarHBondContact OD1-OG 2.93Å; S98-K100 PolarHBondContact O-N 2.96Å
99	G	58.5	Low	63.8	Low	64 Å²	64	101 Å²	101	66%	0.66	54%	0.542	S	S	*	.	S	Bend	trans	-62.1	14.2	-174.3	0	0	0	0	0	117.7	K356	G99-K356 PolarHBondContact O-NZ 3.03Å
100	K	63.4	Low	66.1	Low	166 Å²	166	93.9 Å²	93.9	72%	0.722	52%	0.515	S	S	*	.	S	Bend	trans	-70.3	154.5	176.4	-69	-176.2	178.2	178.6	0	111.3	N96 S98	N96-K100 PolarHBondContact ND2-O 3.27Å; S98-K100 PolarHBondContact O-N 2.96Å
101	S	70.3	Confident	68	Low	92 Å²	92	97 Å²	97	64%	0.643	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-67.9	136.8	173.4	-172.8	0	0	0	0	109.9
102	L	81.1	Confident	69.3	Low	24 Å²	24	100 Å²	100	13%	0.126	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-66.5	149.5	168	-69.6	172.8	0	0	0	109.7	N96 Y360	N96-L102 HydrophobicContact CB-CD2 3.83Å; N96-L102 HydrophobicContact CB-CG 4.29Å; L102-Y360 HydrophobicContact CB-CD2 3.92Å; L102-Y360 HydrophobicContact CB-CE2 3.45Å; L102-Y360 VanDerWaalsContact CB-CE2 3.45Å; L102-Y360 HydrophobicContact CD1-CD2 4.15Å; L102-Y360 HydrophobicContact CD1-CE2 4.31Å
103	R	86.6	Confident	70.4	Confident	234 Å²	234	97.1 Å²	97.1	88%	0.883	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-82.1	137	171.4	-71.5	-173.2	178.9	-174.9	0.1	108.9	P105 Y360	R103-P105 WeakPolarHBondContact O-CD 3.49Å; R103-Y360 WeakPolarHBondContact O-CE2 3.33Å
104	L	87.9	Confident	70.8	Confident	77 Å²	77	99.8 Å²	99.8	40%	0.403	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-64.9	123	177.6	-167.2	73.3	0	0	0	109.4	L108 K109 Y360	L104-L108 HydrophobicContact CD1-CB 3.78Å; L104-L108 HydrophobicContact CD1-CD1 4Å; L104-L108 HydrophobicContact CD2-CB 4.47Å; L104-L108 HydrophobicContact CG-CB 4Å; L104-K109 HydrophobicContact CD2-CG 4.29Å; L104-Y360 HydrophobicContact CD1-CE1 3.81Å
105	P	91.6	Very high	71.5	Confident	20 Å²	20	98.6 Å²	98.6	13%	0.13	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-71.9	163	178	31.6	-38.1	0	0	0	111.8	R103 W107 L108 Y360	R103-P105 WeakPolarHBondContact O-CD 3.49Å; P105-W107 VanDerWaalsContact C-N 3.34Å; 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 3.92Å; P105-W107 HydrophobicContact CG-CE3 4.42Å; P105-W107 HydrophobicContact CG-CH2 4Å; P105-W107 HydrophobicContact CG-CZ2 3.46Å; P105-W107 VanDerWaalsContact CG-CZ2 3.46Å; P105-W107 HydrophobicContact CG-CZ3 4.45Å; P105-W107 PolarHBondContact O-N 3.09Å; P105-L108 HydrophobicContact CG-CB 4.26Å; P105-L108 HydrophobicContact CG-CD1 3.7Å; P105-L108 HydrophobicContact CG-CG 4.15Å; P105-L108 PolarHBondContact O-N 3.46Å; P105-Y360 HydrophobicContact CG-CD1 4.33Å; P105-Y360 HydrophobicContact CG-CD2 4.27Å; P105-Y360 HydrophobicContact CG-CG 3.92Å
106	E	91	Very high	72.4	Confident	134 Å²	134	97.1 Å²	97.1	63%	0.626	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-58.6	-42.9	-175.6	-162.3	61.3	-144.8	0	0	112.8	L108 K109	E106-L108 PolarHBondContact O-N 3.4Å; E106-K109 WeakPolarHBondContact O-CB 3.36Å; E106-K109 PolarHBondContact O-N 3.16Å; E106-K109 WeakPolarHBondContact OE1-CD 3.4Å; E106-K109 IonicContact OE1-NZ 3.5Å; E106-K109 PolarHBondContact OE1-NZ 2.88Å; E106-K109 VanDerWaalsContact OE2-CE 3.28Å; E106-K109 WeakPolarHBondContact OE2-CE 3.25Å; E106-K109 IonicContact OE2-NZ 2.63Å; E106-K109 PolarHBondContact OE2-NZ 3.47Å
107	W	90.4	Very high	73.4	Confident	97 Å²	97	96.6 Å²	96.6	37%	0.367	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-68.6	-5.8	-176.9	63.7	85.1	0	0	0	115	P105 I361 P363	P105-W107 VanDerWaalsContact C-N 3.34Å; 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 3.92Å; P105-W107 HydrophobicContact CG-CE3 4.42Å; P105-W107 HydrophobicContact CG-CH2 4Å; P105-W107 HydrophobicContact CG-CZ2 3.46Å; P105-W107 VanDerWaalsContact CG-CZ2 3.46Å; P105-W107 HydrophobicContact CG-CZ3 4.45Å; P105-W107 PolarHBondContact O-N 3.09Å; W107-I361 PolarHBondContact NE1-O 2.79Å; W107-P363 HydrophobicContact CB-CG 3.96Å; W107-P363 HydrophobicContact CD2-CG 4.21Å; W107-P363 HydrophobicContact CG-CG 3.75Å
108	L	88	Confident	74.4	Confident	8 Å²	8	87 Å²	87	4%	0.042	49%	0.485	C	S	.	.	G	3₁₀ helix	trans	-106.6	-4.1	174.4	-77.4	171.5	0	0	0	113.1	L104 P105 E106 Q346 Y360 P385 L386	L104-L108 HydrophobicContact CD1-CB 3.78Å; L104-L108 HydrophobicContact CD1-CD1 4Å; L104-L108 HydrophobicContact CD2-CB 4.47Å; L104-L108 HydrophobicContact CG-CB 4Å; P105-L108 HydrophobicContact CG-CB 4.26Å; P105-L108 HydrophobicContact CG-CD1 3.7Å; P105-L108 HydrophobicContact CG-CG 4.15Å; P105-L108 PolarHBondContact O-N 3.46Å; E106-L108 PolarHBondContact O-N 3.4Å; L108-Q346 HydrophobicContact CD1-CG 3.81Å; L108-Q346 HydrophobicContact CD2-CB 4.11Å; L108-Q346 HydrophobicContact CD2-CG 4.1Å; L108-Y360 HydrophobicContact CD1-CD1 3.32Å; L108-Y360 HydrophobicContact CD1-CE1 3.75Å; L108-Y360 HydrophobicContact CD1-CG 4.16Å; L108-P385 HydrophobicContact CD2-CB 3.49Å; L108-P385 VanDerWaalsContact CD2-CB 3.49Å; L108-P385 HydrophobicContact CG-CB 4.25Å; L108-L386 HydrophobicContact CD2-CD2 4Å
109	K	84.6	Confident	75.5	Confident	116 Å²	116	86.6 Å²	86.6	50%	0.504	49%	0.486	S	S	.	.			trans	-73.2	130.3	175.3	-65.5	-179.1	-175.3	170.6	0	108.8	L104 E106	L104-K109 HydrophobicContact CD2-CG 4.29Å; E106-K109 WeakPolarHBondContact O-CB 3.36Å; E106-K109 PolarHBondContact O-N 3.16Å; E106-K109 WeakPolarHBondContact OE1-CD 3.4Å; E106-K109 IonicContact OE1-NZ 3.5Å; E106-K109 PolarHBondContact OE1-NZ 2.88Å; E106-K109 VanDerWaalsContact OE2-CE 3.28Å; E106-K109 WeakPolarHBondContact OE2-CE 3.25Å; E106-K109 IonicContact OE2-NZ 2.63Å; E106-K109 PolarHBondContact OE2-NZ 3.47Å
110	T	78	Confident	76.4	Confident	58 Å²	58	92 Å²	92	36%	0.356	49%	0.487	S	S	.	.			trans	-115.6	156.2	172.7	60	0	0	0	0	109.8	P140 L386	T110-P140 HydrophobicContact CG2-CB 4.17Å; T110-P140 PolarHBondContact OG1-O 3.04Å; T110-L386 HydrophobicContact CG2-CD1 3.69Å; T110-L386 HydrophobicContact CG2-CD2 3.82Å; T110-L386 HydrophobicContact CG2-CG 4.43Å
111	E	72.7	Confident	77	Confident	169 Å²	169	85.1 Å²	85.1	79%	0.79	46%	0.458	S	S	*	.			trans	-66.8	143.3	173.1	-64.4	-171.5	165.2	0	0	110.7
112	I	69.6	Low	77.3	Confident	154 Å²	154	83.2 Å²	83.2	79%	0.79	44%	0.439	S	S	*	.			trans	-66	130.1	177	-61.2	173.2	0	0	0	108	C114	I112-C114 PolarHBondContact O-N 2.85Å
113	P	62.4	Low	77.3	Confident	62 Å²	62	90 Å²	90	40%	0.403	47%	0.467	S	S	.	.			trans	-62	105.1	-180	23.8	-33	0	0	0	110.7	I142	P113-I142 HydrophobicContact CB-CG2 3.85Å; P113-I142 HydrophobicContact CG-CG2 3.78Å
114	C	57.2	Low	76.9	Confident	129 Å²	129	81.8 Å²	81.8	87%	0.872	44%	0.439	S	S	*	.			trans	-128.1	110.2	176.1	-162.7	0	0	0	0	108.2	I112	I112-C114 PolarHBondContact O-N 2.85Å
115	G	64	Low	76.6	Confident	38 Å²	38	78.1 Å²	78.1	39%	0.392	42%	0.42	S	S	.	.			trans	176.1	146.2	-179.9	0	0	0	0	0	114.3	S117 V118	G115-S117 VanDerWaalsContact C-N 3.31Å; G115-S117 PolarHBondContact O-N 2.8Å; G115-V118 PolarHBondContact O-N 3.33Å
116	G	70	Confident	76.1	Confident	63 Å²	63	85.4 Å²	85.4	65%	0.649	45%	0.445	S	S	*	.	H	α-helix	trans	-68.3	-25.7	179.7	0	0	0	0	0	114.3	R120	G116-R120 WeakPolarHBondContact O-CB 3.34Å; G116-R120 PolarHBondContact O-N 3.4Å
117	S	70.7	Confident	75.6	Confident	48 Å²	48	83.5 Å²	83.5	34%	0.336	45%	0.446	S	S	.	.	H	α-helix	trans	-62.8	-47	176	51.7	0	0	0	0	111.8	G115 R120 L121	G115-S117 VanDerWaalsContact C-N 3.31Å; G115-S117 PolarHBondContact O-N 2.8Å; S117-R120 PolarHBondContact O-N 2.92Å; S117-L121 PolarHBondContact O-N 3.3Å
118	V	71	Confident	75.2	Confident	11 Å²	11	80.7 Å²	80.7	7%	0.067	44%	0.438	C	S	.	.	H	α-helix	trans	-61	-53	179.1	176.9	0	0	0	0	110	G115 R120 L121 Q122 W146	G115-V118 PolarHBondContact O-N 3.33Å; V118-R120 VanDerWaalsContact C-N 3.28Å; V118-R120 PolarHBondContact O-N 3.2Å; V118-L121 PolarHBondContact O-N 2.78Å; V118-L121 VanDerWaalsContact O-N 3.1Å; V118-Q122 HydrophobicContact CG1-CG 4.38Å; V118-Q122 WeakPolarHBondContact O-CG 3.31Å; V118-Q122 PolarHBondContact O-N 3.26Å; V118-W146 HydrophobicContact CB-CE3 4.34Å; V118-W146 HydrophobicContact CG1-CE3 3.82Å; V118-W146 HydrophobicContact CG1-CZ3 4.14Å; V118-W146 HydrophobicContact CG2-CB 4.29Å
119	A	76.6	Confident	74.9	Confident	55 Å²	55	85.2 Å²	85.2	46%	0.455	46%	0.463	S	S	.	.	H	α-helix	trans	-59.1	-37.8	179.9	0	0	0	0	0	112.8	K123	A119-K123 PolarHBondContact O-N 3.29Å
120	R	76.8	Confident	74.9	Confident	176 Å²	176	80.1 Å²	80.1	66%	0.664	44%	0.441	S	S	*	.	H	α-helix	trans	-62.5	-47.1	174.9	-172.6	-179	78	171.7	3.5	111.5	G116 S117 V118 K123 Q124	G116-R120 WeakPolarHBondContact O-CB 3.34Å; G116-R120 PolarHBondContact O-N 3.4Å; S117-R120 PolarHBondContact O-N 2.92Å; V118-R120 VanDerWaalsContact C-N 3.28Å; V118-R120 PolarHBondContact O-N 3.2Å; R120-K123 PolarHBondContact O-N 3.05Å; R120-Q124 WeakPolarHBondContact O-CG 3.29Å; R120-Q124 PolarHBondContact O-N 3.48Å
121	L	75.9	Confident	75.3	Confident	23 Å²	23	79.1 Å²	79.1	12%	0.12	43%	0.432	C	S	.	.	H	α-helix	trans	-65.7	-42.2	-179.7	-166.5	66.8	0	0	0	111.3	S117 V118 K123 Q124 L125 W146 W198	S117-L121 PolarHBondContact O-N 3.3Å; V118-L121 PolarHBondContact O-N 2.78Å; V118-L121 VanDerWaalsContact O-N 3.1Å; L121-K123 VanDerWaalsContact C-N 3.3Å; L121-K123 PolarHBondContact O-N 3.35Å; L121-Q124 PolarHBondContact O-N 2.93Å; L121-Q124 VanDerWaalsContact O-N 3.17Å; L121-L125 HydrophobicContact CG-CD1 4Å; L121-L125 HydrophobicContact CG-CG 4.47Å; L121-L125 WeakPolarHBondContact O-CB 3.38Å; L121-L125 WeakPolarHBondContact O-CD1 3.31Å; L121-L125 WeakPolarHBondContact O-CG 3.48Å; L121-L125 PolarHBondContact O-N 3.05Å; L121-W146 HydrophobicContact CB-CE3 3.99Å; L121-W146 HydrophobicContact CB-CZ3 4.08Å; L121-W146 HydrophobicContact CD2-CB 4.34Å; L121-W146 HydrophobicContact CD2-CD2 3.52Å; L121-W146 HydrophobicContact CD2-CE3 3.59Å; L121-W146 HydrophobicContact CD2-CG 3.85Å; L121-W146 HydrophobicContact CD2-CH2 4.34Å; L121-W146 HydrophobicContact CD2-CZ2 4.29Å; L121-W146 HydrophobicContact CD2-CZ3 3.98Å; L121-W146 HydrophobicContact CG-CE3 4.21Å; L121-W146 HydrophobicContact CG-CZ3 4.24Å; L121-W198 HydrophobicContact CD1-CD2 4.12Å; L121-W198 HydrophobicContact CD1-CH2 4.42Å; L121-W198 HydrophobicContact CD1-CZ2 3.74Å
122	Q	76.8	Confident	75.8	Confident	52 Å²	52	71.1 Å²	71.1	24%	0.243	40%	0.395	C	S	.	.	H	α-helix	trans	-56.4	-44.3	174	-66.9	-174.3	-49.2	0	0	111.8	V118 L125 R126 E135 W146	V118-Q122 HydrophobicContact CG1-CG 4.38Å; V118-Q122 WeakPolarHBondContact O-CG 3.31Å; V118-Q122 PolarHBondContact O-N 3.26Å; Q122-L125 PolarHBondContact O-N 2.75Å; Q122-R126 WeakPolarHBondContact O-CB 3.31Å; Q122-R126 VanDerWaalsContact O-CG 3.29Å; Q122-R126 WeakPolarHBondContact O-CG 3.14Å; Q122-R126 PolarHBondContact O-N 3.1Å; Q122-E135 VanDerWaalsContact CG-OE1 3.31Å; Q122-E135 WeakPolarHBondContact CG-OE1 3.45Å; Q122-E135 PolarHBondContact NE2-OE1 3.36Å; Q122-W146 HydrophobicContact CG-CH2 4.2Å; Q122-W146 HydrophobicContact CG-CZ3 3.59Å
123	K	80.6	Confident	76.4	Confident	165 Å²	165	65.5 Å²	65.5	72%	0.717	37%	0.367	S	S	*	.	H	α-helix	trans	-63.3	-42.3	178.4	-172.4	177.9	178.9	-179.1	0	111.7	A119 R120 L121 S127	A119-K123 PolarHBondContact O-N 3.29Å; R120-K123 PolarHBondContact O-N 3.05Å; L121-K123 VanDerWaalsContact C-N 3.3Å; L121-K123 PolarHBondContact O-N 3.35Å; K123-S127 WeakPolarHBondContact O-CB 3.49Å; K123-S127 PolarHBondContact O-N 3.5Å; K123-S127 PolarHBondContact O-OG 3.45Å
124	Q	79.1	Confident	77.2	Confident	62 Å²	62	63 Å²	63	29%	0.29	35%	0.351	S	S	.	.	H	α-helix	trans	-64.3	-47.7	177.4	-73.4	-179	-39.1	0	0	111.9	R120 L121 R126 S127 L128	R120-Q124 WeakPolarHBondContact O-CG 3.29Å; R120-Q124 PolarHBondContact O-N 3.48Å; L121-Q124 PolarHBondContact O-N 2.93Å; L121-Q124 VanDerWaalsContact O-N 3.17Å; Q124-R126 PolarHBondContact O-N 3.07Å; Q124-S127 PolarHBondContact O-N 3.26Å; Q124-S127 PolarHBondContact O-OG 3.02Å; Q124-L128 PolarHBondContact O-N 3.19Å
125	L	80.9	Confident	78.3	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-56.3	-48.5	177.4	-74.4	161.7	0	0	0	111.5	L121 Q122 S127 L128 N129 L130 T132 W146 W198	L121-L125 HydrophobicContact CG-CD1 4Å; L121-L125 HydrophobicContact CG-CG 4.47Å; L121-L125 WeakPolarHBondContact O-CB 3.38Å; L121-L125 WeakPolarHBondContact O-CD1 3.31Å; L121-L125 WeakPolarHBondContact O-CG 3.48Å; L121-L125 PolarHBondContact O-N 3.05Å; Q122-L125 PolarHBondContact O-N 2.75Å; L125-S127 VanDerWaalsContact C-N 3.35Å; L125-S127 PolarHBondContact O-N 2.77Å; L125-L128 PolarHBondContact O-N 3.16Å; L125-N129 PolarHBondContact O-N 2.66Å; L125-L130 HydrophobicContact CD2-CB 3.93Å; L125-L130 HydrophobicContact CD2-CD1 4.41Å; L125-L130 PolarHBondContact O-N 3.3Å; L125-T132 HydrophobicContact CD1-CG2 3.4Å; L125-T132 HydrophobicContact CD2-CG2 3.72Å; L125-T132 HydrophobicContact CG-CG2 4.17Å; L125-W146 HydrophobicContact CD1-CH2 3.64Å; L125-W146 HydrophobicContact CD1-CZ2 4.16Å; L125-W146 HydrophobicContact CD1-CZ3 4.29Å; L125-W198 HydrophobicContact CD2-CH2 3.58Å; L125-W198 HydrophobicContact CD2-CZ2 3.8Å; L125-W198 HydrophobicContact CG-CH2 4.36Å; L125-W198 HydrophobicContact CG-CZ2 4.2Å
126	R	81.1	Confident	79.2	Confident	172 Å²	172	59.4 Å²	59.4	65%	0.649	31%	0.312	S	S	*	.	H	α-helix	trans	-62.5	-38.9	177.4	-70.4	175.9	-169	173.1	6.4	112.9	Q122 Q124 L128 N129	Q122-R126 WeakPolarHBondContact O-CB 3.31Å; Q122-R126 VanDerWaalsContact O-CG 3.29Å; Q122-R126 WeakPolarHBondContact O-CG 3.14Å; Q122-R126 PolarHBondContact O-N 3.1Å; Q124-R126 PolarHBondContact O-N 3.07Å; R126-L128 PolarHBondContact O-N 3.28Å; R126-N129 PolarHBondContact O-N 3.48Å
127	S	82.3	Confident	79.5	Confident	94 Å²	94	57.7 Å²	57.7	66%	0.657	29%	0.291	S	S	*	.	H	α-helix	trans	-66.2	-21.6	179	68.3	0	0	0	0	113.8	K123 Q124 L125	K123-S127 WeakPolarHBondContact O-CB 3.49Å; K123-S127 PolarHBondContact O-N 3.5Å; K123-S127 PolarHBondContact O-OG 3.45Å; Q124-S127 PolarHBondContact O-N 3.26Å; Q124-S127 PolarHBondContact O-OG 3.02Å; L125-S127 VanDerWaalsContact C-N 3.35Å; L125-S127 PolarHBondContact O-N 2.77Å
128	L	80.7	Confident	79.8	Confident	38 Å²	38	63.2 Å²	63.2	20%	0.199	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	9.7	179.2	-62.9	174.8	0	0	0	112.5	Q124 L125 R126 L130 A194	Q124-L128 PolarHBondContact O-N 3.19Å; L125-L128 PolarHBondContact O-N 3.16Å; R126-L128 PolarHBondContact O-N 3.28Å; L128-L130 HydrophobicContact CB-CD1 3.98Å; L128-L130 HydrophobicContact CB-CG 3.89Å; L128-L130 HydrophobicContact CD1-CD1 4.41Å; L128-L130 PolarHBondContact O-N 3.04Å; L128-A194 HydrophobicContact CD1-CB 3.37Å
129	N	82.1	Confident	80.3	Confident	104 Å²	104	63.7 Å²	63.7	56%	0.556	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	37.4	-176.2	-161.7	42.6	0	0	0	113.2	L125 R126	L125-N129 PolarHBondContact O-N 2.66Å; R126-N129 PolarHBondContact O-N 3.48Å
130	L	85.2	Confident	80.4	Confident	8 Å²	8	62.5 Å²	62.5	4%	0.042	30%	0.296	C	S	.	.			trans	-101.1	145.5	179.8	-60.9	178.8	0	0	0	111.1	L125 L128 E187 T191 A194	L125-L130 HydrophobicContact CD2-CB 3.93Å; L125-L130 HydrophobicContact CD2-CD1 4.41Å; L125-L130 PolarHBondContact O-N 3.3Å; L128-L130 HydrophobicContact CB-CD1 3.98Å; L128-L130 HydrophobicContact CB-CG 3.89Å; L128-L130 HydrophobicContact CD1-CD1 4.41Å; L128-L130 PolarHBondContact O-N 3.04Å; L130-E187 HydrophobicContact CD2-CG 4.4Å; L130-T191 VanDerWaalsContact CD2-OG1 3.27Å; L130-T191 WeakPolarHBondContact CD2-OG1 3.35Å; L130-A194 HydrophobicContact CD1-CB 3.54Å
131	H	85.5	Confident	80.5	Confident	37 Å²	37	54.3 Å²	54.3	17%	0.171	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	155.4	175.9	-57.8	-83.5	0	0	0	111	E136 M159	H131-E136 IonicContact ND1-OE1 3.24Å; H131-M159 HydrophobicContact CB-CB 4.4Å; H131-M159 HydrophobicContact CB-CE 4.07Å; H131-M159 PolarHBondContact O-N 3.35Å
132	T	84.4	Confident	80.5	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.7	171.7	66.9	0	0	0	0	110.5	L125 C134 E135 E136 W146 T157	L125-T132 HydrophobicContact CD1-CG2 3.4Å; L125-T132 HydrophobicContact CD2-CG2 3.72Å; L125-T132 HydrophobicContact CG-CG2 4.17Å; T132-C134 PolarHBondContact O-N 3.06Å; T132-E135 PolarHBondContact O-N 3.32Å; T132-E135 WeakPolarHBondContact OG1-CG 3.23Å; T132-E135 PolarHBondContact OG1-N 3Å; T132-E135 PolarHBondContact OG1-OE2 3.13Å; T132-E136 WeakPolarHBondContact O-CG 3.37Å; T132-E136 PolarHBondContact O-N 2.83Å; T132-W146 HydrophobicContact CG2-CH2 4.39Å; T132-W146 HydrophobicContact CG2-CZ2 4Å; T132-T157 WeakPolarHBondContact CB-O 3.49Å
133	V	82.3	Confident	80.4	Confident	36 Å²	36	52.9 Å²	52.9	22%	0.218	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-26.3	172.9	75.2	0	0	0	0	110.8	E135 A137 T157 T206	V133-E135 VanDerWaalsContact C-N 3.3Å; V133-E135 PolarHBondContact O-N 3.17Å; V133-A137 HydrophobicContact CG2-CB 3.85Å; V133-A137 WeakPolarHBondContact O-CA 3.37Å; V133-A137 WeakPolarHBondContact O-CB 3.36Å; V133-A137 PolarHBondContact O-N 3.08Å; V133-T157 HydrophobicContact CB-CG2 4.43Å; V133-T157 HydrophobicContact CG1-CG2 3.38Å; V133-T206 HydrophobicContact CB-CG2 4Å; V133-T206 HydrophobicContact CG1-CG2 4.29Å
134	C	79.2	Confident	80.1	Confident	9 Å²	9	48.5 Å²	48.5	6%	0.061	24%	0.243	C	C	.	.	H	α-helix	trans	-57.6	-44	176.7	-55.9	0	0	0	0	111.6	T132 R138 C139 I142 W146	T132-C134 PolarHBondContact O-N 3.06Å; C134-R138 PolarHBondContact O-N 3.23Å; C134-C139 HydrophobicContact CB-CB 4.45Å; C134-C139 PolarHBondContact O-N 2.71Å; C134-I142 HydrophobicContact CB-CD1 4.03Å; C134-I142 HydrophobicContact CB-CG1 4.06Å; C134-W146 HydrophobicContact CB-CZ2 3.89Å
135	E	80.4	Confident	79.9	Confident	47 Å²	47	46.1 Å²	46.1	22%	0.22	23%	0.233	C	C	.	.	H	α-helix	trans	-79	-50.7	177.5	-68.7	177.9	128.3	0	0	111.5	Q122 T132 V133 A137 R138 I142 W146	Q122-E135 VanDerWaalsContact CG-OE1 3.31Å; Q122-E135 WeakPolarHBondContact CG-OE1 3.45Å; Q122-E135 PolarHBondContact NE2-OE1 3.36Å; T132-E135 PolarHBondContact O-N 3.32Å; T132-E135 WeakPolarHBondContact OG1-CG 3.23Å; T132-E135 PolarHBondContact OG1-N 3Å; T132-E135 PolarHBondContact OG1-OE2 3.13Å; V133-E135 VanDerWaalsContact C-N 3.3Å; V133-E135 PolarHBondContact O-N 3.17Å; E135-A137 PolarHBondContact O-N 3.35Å; E135-R138 PolarHBondContact O-N 3.03Å; E135-R138 VanDerWaalsContact O-N 3.16Å; E135-I142 HydrophobicContact CG-CD1 4.01Å; E135-W146 HydrophobicContact CG-CH2 4.2Å
136	E	81.2	Confident	79.4	Confident	45 Å²	45	46.7 Å²	46.7	21%	0.21	24%	0.236	C	C	.	.	H	α-helix	trans	-69.3	-32.4	-173	-59.9	-57.2	154.5	0	0	113.1	H131 T132 M159 D163 S173 V174	H131-E136 IonicContact ND1-OE1 3.24Å; T132-E136 WeakPolarHBondContact O-CG 3.37Å; T132-E136 PolarHBondContact O-N 2.83Å; E136-M159 HydrophobicContact CB-CE 3.84Å; E136-M159 HydrophobicContact CG-CE 3.51Å; E136-D163 HydrophobicContact CG-CB 4.37Å; E136-S173 PolarHBondContact O-OG 3.21Å; E136-V174 HydrophobicContact CB-CG2 4.28Å
137	A	76.2	Confident	78.7	Confident	26 Å²	26	41.5 Å²	41.5	22%	0.215	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	3.5	175.7	0	0	0	0	0	113.8	V133 E135 C139 S173	V133-A137 HydrophobicContact CG2-CB 3.85Å; V133-A137 WeakPolarHBondContact O-CA 3.37Å; V133-A137 WeakPolarHBondContact O-CB 3.36Å; V133-A137 PolarHBondContact O-N 3.08Å; E135-A137 PolarHBondContact O-N 3.35Å; A137-C139 PolarHBondContact O-N 3.49Å; A137-S173 WeakPolarHBondContact CA-OG 3.23Å
138	R	78.3	Confident	77.7	Confident	164 Å²	164	40 Å²	40	62%	0.619	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	54.5	179.8	-56.1	179.1	179.4	-161.4	-5.5	112.7	C134 E135	C134-R138 PolarHBondContact O-N 3.23Å; E135-R138 PolarHBondContact O-N 3.03Å; E135-R138 VanDerWaalsContact O-N 3.16Å
139	C	80.8	Confident	76.6	Confident	21 Å²	21	39.8 Å²	39.8	14%	0.142	22%	0.223	C	C	.	.			trans	-66.7	128	-176.1	-171.8	0	0	0	0	111.6	C134 A137 N141 I142	C134-C139 HydrophobicContact CB-CB 4.45Å; C134-C139 PolarHBondContact O-N 2.71Å; A137-C139 PolarHBondContact O-N 3.49Å; C139-N141 PolarHBondContact O-N 2.97Å; C139-N141 PolarHBondContact SG-N 3.15Å; C139-I142 PolarHBondContact O-N 3.29Å
140	P	78.5	Confident	74.8	Confident	31 Å²	31	46 Å²	46	20%	0.201	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-14.8	176.6	29.4	-34.2	0	0	0	113.1	T110	T110-P140 HydrophobicContact CG2-CB 4.17Å; T110-P140 PolarHBondContact OG1-O 3.04Å
141	N	79	Confident	72.7	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.021	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	11.4	-176.4	-50.6	-14	0	0	0	112.9	C139 S143 E144 C145 L386 Y391	C139-N141 PolarHBondContact O-N 2.97Å; C139-N141 PolarHBondContact SG-N 3.15Å; N141-S143 VanDerWaalsContact C-N 3.32Å; N141-S143 PolarHBondContact O-N 3.45Å; N141-E144 PolarHBondContact O-N 3.26Å; N141-C145 PolarHBondContact O-N 2.98Å; N141-L386 PolarHBondContact ND2-O 3.43Å; N141-Y391 WeakPolarHBondContact ND2-CD2 3.37Å
142	I	76.5	Confident	71.3	Confident	18 Å²	18	49.6 Å²	49.6	9%	0.092	28%	0.275	C	S	.	.	H	α-helix	trans	-59.3	-39.9	-172.8	-169.2	169.8	0	0	0	112.8	P113 C134 E135 C139 W146	P113-I142 HydrophobicContact CB-CG2 3.85Å; P113-I142 HydrophobicContact CG-CG2 3.78Å; C134-I142 HydrophobicContact CB-CD1 4.03Å; C134-I142 HydrophobicContact CB-CG1 4.06Å; E135-I142 HydrophobicContact CG-CD1 4.01Å; C139-I142 PolarHBondContact O-N 3.29Å; I142-W146 HydrophobicContact CD1-CE3 4.45Å; I142-W146 HydrophobicContact CD1-CH2 4.07Å; I142-W146 HydrophobicContact CD1-CZ2 4.12Å; I142-W146 HydrophobicContact CD1-CZ3 4.26Å; I142-W146 HydrophobicContact CG1-CD2 3.9Å; I142-W146 HydrophobicContact CG1-CE3 4.18Å; I142-W146 HydrophobicContact CG1-CG 4.42Å; I142-W146 HydrophobicContact CG1-CH2 4.47Å; I142-W146 HydrophobicContact CG1-CZ2 4.2Å; I142-W146 HydrophobicContact CG1-CZ3 4.47Å; I142-W146 WeakPolarHBondContact O-CB 3.17Å; I142-W146 PolarHBondContact O-N 2.87Å
143	S	73.6	Confident	70.1	Confident	27 Å²	27	51.5 Å²	51.5	19%	0.189	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-45.5	175.8	34.3	0	0	0	0	112.1	N141 T147	N141-S143 VanDerWaalsContact C-N 3.32Å; N141-S143 PolarHBondContact O-N 3.45Å; S143-T147 WeakPolarHBondContact O-CB 3.33Å; S143-T147 PolarHBondContact O-N 3.17Å; S143-T147 PolarHBondContact O-OG1 2.94Å
144	E	75.9	Confident	69.2	Low	73 Å²	73	50.7 Å²	50.7	34%	0.341	29%	0.287	S	S	.	.	H	α-helix	trans	-68.7	-43.4	-175.5	-168.2	-168.3	161.6	0	0	112.1	N141 Y391 R392	N141-E144 PolarHBondContact O-N 3.26Å; E144-Y391 PolarHBondContact OE1-OH 2.87Å; E144-Y391 PolarHBondContact OE2-OH 3.43Å; E144-R392 PolarHBondContact O-NH1 2.87Å
145	C	73.4	Confident	68.9	Low	12 Å²	12	50.4 Å²	50.4	8%	0.081	29%	0.286	C	S	.	.	H	α-helix	trans	-70.3	-37.1	-179.3	-67.8	0	0	0	0	112.4	N141 T155	N141-C145 PolarHBondContact O-N 2.98Å; C145-T155 PolarHBondContact O-N 2.93Å; C145-T155 VanDerWaalsContact O-N 3.08Å
146	W	70.7	Confident	68.7	Low	13 Å²	13	48.4 Å²	48.4	5%	0.049	28%	0.277	C	S	.	.	H	α-helix	trans	-89.1	-11.3	-174.8	-66	9	0	0	0	113.6	V118 L121 Q122 L125 T132 C134 E135 I142	V118-W146 HydrophobicContact CB-CE3 4.34Å; V118-W146 HydrophobicContact CG1-CE3 3.82Å; V118-W146 HydrophobicContact CG1-CZ3 4.14Å; V118-W146 HydrophobicContact CG2-CB 4.29Å; L121-W146 HydrophobicContact CB-CE3 3.99Å; L121-W146 HydrophobicContact CB-CZ3 4.08Å; L121-W146 HydrophobicContact CD2-CB 4.34Å; L121-W146 HydrophobicContact CD2-CD2 3.52Å; L121-W146 HydrophobicContact CD2-CE3 3.59Å; L121-W146 HydrophobicContact CD2-CG 3.85Å; L121-W146 HydrophobicContact CD2-CH2 4.34Å; L121-W146 HydrophobicContact CD2-CZ2 4.29Å; L121-W146 HydrophobicContact CD2-CZ3 3.98Å; L121-W146 HydrophobicContact CG-CE3 4.21Å; L121-W146 HydrophobicContact CG-CZ3 4.24Å; Q122-W146 HydrophobicContact CG-CH2 4.2Å; Q122-W146 HydrophobicContact CG-CZ3 3.59Å; L125-W146 HydrophobicContact CD1-CH2 3.64Å; L125-W146 HydrophobicContact CD1-CZ2 4.16Å; L125-W146 HydrophobicContact CD1-CZ3 4.29Å; T132-W146 HydrophobicContact CG2-CH2 4.39Å; T132-W146 HydrophobicContact CG2-CZ2 4Å; C134-W146 HydrophobicContact CB-CZ2 3.89Å; E135-W146 HydrophobicContact CG-CH2 4.2Å; I142-W146 HydrophobicContact CD1-CE3 4.45Å; I142-W146 HydrophobicContact CD1-CH2 4.07Å; I142-W146 HydrophobicContact CD1-CZ2 4.12Å; I142-W146 HydrophobicContact CD1-CZ3 4.26Å; I142-W146 HydrophobicContact CG1-CD2 3.9Å; I142-W146 HydrophobicContact CG1-CE3 4.18Å; I142-W146 HydrophobicContact CG1-CG 4.42Å; I142-W146 HydrophobicContact CG1-CH2 4.47Å; I142-W146 HydrophobicContact CG1-CZ2 4.2Å; I142-W146 HydrophobicContact CG1-CZ3 4.47Å; I142-W146 WeakPolarHBondContact O-CB 3.17Å; I142-W146 PolarHBondContact O-N 2.87Å
147	T	67.2	Low	69	Low	63 Å²	63	46.4 Å²	46.4	39%	0.387	27%	0.268	S	S	.	.	S	Bend	trans	-95.6	106.8	172.4	-52.9	0	0	0	0	108.3	S143 G149	S143-T147 WeakPolarHBondContact O-CB 3.33Å; S143-T147 PolarHBondContact O-N 3.17Å; S143-T147 PolarHBondContact O-OG1 2.94Å; T147-G149 PolarHBondContact O-N 3.1Å; T147-G149 VanDerWaalsContact O-N 3.15Å
148	A	60.6	Low	69.7	Low	62 Å²	62	45.2 Å²	45.2	51%	0.512	26%	0.258	S	S	.	.			trans	-55.6	122.6	168.3	0	0	0	0	0	108.5	T152 A154	A148-T152 CarbonylContact C-O 3.59Å; A148-T152 WeakPolarHBondContact CA-O 3.43Å; A148-A154 HydrophobicContact CB-CB 4.2Å
149	G	57	Low	70.5	Confident	34 Å²	34	37.6 Å²	37.6	35%	0.351	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-78	166.5	173.4	0	0	0	0	0	109.9	T147 S151 T152	T147-G149 PolarHBondContact O-N 3.1Å; T147-G149 VanDerWaalsContact O-N 3.15Å; G149-S151 PolarHBondContact O-N 3.26Å; G149-T152 PolarHBondContact N-O 2.82Å; G149-T152 PolarHBondContact O-N 3.37Å
150	K	44.7	Very low	71.2	Confident	233 Å²	233	36.6 Å²	36.6	100%	1.013	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-24.7	176.5	-72.2	-178.8	178.3	178	0	113.7
151	S	42.4	Very low	72.1	Confident	98 Å²	98	35.4 Å²	35.4	69%	0.685	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.1	2	-178.6	53.8	0	0	0	0	113.4	G149 Y396	G149-S151 PolarHBondContact O-N 3.26Å; S151-Y396 PolarHBondContact O-OH 3.17Å
152	T	54.1	Low	72.7	Confident	24 Å²	24	36.1 Å²	36.1	15%	0.147	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-133.1	118.4	-168.8	55.9	0	0	0	0	114.7	A148 G149 R392 Y396	A148-T152 CarbonylContact C-O 3.59Å; A148-T152 WeakPolarHBondContact CA-O 3.43Å; G149-T152 PolarHBondContact N-O 2.82Å; G149-T152 PolarHBondContact O-N 3.37Å; T152-R392 PolarHBondContact O-NH2 3.41Å; T152-R392 VanDerWaalsContact O-NH2 3.14Å; T152-R392 PolarHBondContact OG1-NH1 2.87Å; T152-R392 PolarHBondContact OG1-NH2 2.92Å; T152-Y396 WeakPolarHBondContact CA-OH 3.29Å; T152-Y396 HydrophobicContact CG2-CE2 3.94Å
153	A	59.1	Low	73.5	Confident	41 Å²	41	36.5 Å²	36.5	34%	0.339	23%	0.225	S	C	.	.			trans	-56.6	147	177.2	0	0	0	0	0	110.4	R392	A153-R392 PolarHBondContact O-NH2 3.26Å
154	A	65.4	Low	74.6	Confident	19 Å²	19	36.1 Å²	36.1	16%	0.157	22%	0.222	C	C	.	.			trans	-71.5	142.5	174.4	0	0	0	0	0	109.6	A148 V200	A148-A154 HydrophobicContact CB-CB 4.2Å; A154-V200 HydrophobicContact CB-CG1 4.29Å; A154-V200 VanDerWaalsContact O-CG1 3.22Å; A154-V200 WeakPolarHBondContact O-CG1 3.49Å
155	T	71.3	Confident	75.6	Confident	4 Å²	4	33.2 Å²	33.2	3%	0.025	21%	0.209	C	C	.	.			trans	-116.8	126.7	174.2	-41.4	0	0	0	0	108.5	C145 Y202 E395	C145-T155 PolarHBondContact O-N 2.93Å; C145-T155 VanDerWaalsContact O-N 3.08Å; T155-Y202 HydrophobicContact CG2-CD1 4.47Å; T155-E395 VanDerWaalsContact CB-OE1 3.24Å; T155-E395 WeakPolarHBondContact CB-OE1 3.45Å; T155-E395 VanDerWaalsContact CG2-CD 3.42Å; T155-E395 WeakPolarHBondContact CG2-OE1 3.43Å; T155-E395 PolarHBondContact OG1-OE1 3.02Å; T155-E395 PolarHBondContact OG1-OE2 2.68Å
156	A	77.5	Confident	76.8	Confident	4 Å²	4	33.1 Å²	33.1	3%	0.033	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	143.5	169.6	0	0	0	0	0	110.3	W198 I203 V204	A156-W198 HydrophobicContact CB-CE3 4.08Å; A156-W198 HydrophobicContact CB-CZ3 3.66Å; A156-I203 HydrophobicContact CB-CD1 3.77Å; A156-I203 VanDerWaalsContact O-CD1 3.29Å; A156-I203 WeakPolarHBondContact O-CD1 3.33Å; A156-V204 PolarHBondContact O-N 3.3Å
157	T	87.4	Confident	78.1	Confident	4 Å²	4	32.9 Å²	32.9	3%	0.025	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	110.4	167.1	-53.1	0	0	0	0	108.7	T132 V133 V204 T206 S390	T132-T157 WeakPolarHBondContact CB-O 3.49Å; V133-T157 HydrophobicContact CB-CG2 4.43Å; V133-T157 HydrophobicContact CG1-CG2 3.38Å; T157-V204 CarbonylContact C-O 3.53Å; T157-V204 VanDerWaalsContact CA-O 3.28Å; T157-V204 WeakPolarHBondContact CA-O 3.38Å; T157-V204 HydrophobicContact CG2-CB 3.86Å; T157-V204 HydrophobicContact CG2-CG1 3.74Å; T157-T206 HydrophobicContact CG2-CG2 3.93Å; T157-S390 WeakPolarHBondContact OG1-CB 3.37Å; T157-S390 PolarHBondContact OG1-OG 3.02Å; T157-S390 VanDerWaalsContact OG1-OG 3.09Å
158	I	91.1	Very high	79.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	132.8	177	-57.7	-179.6	0	0	0	108.2	I160 T191 I195 W198 I203 V204 I205 T206	I158-I160 HydrophobicContact CG2-CG2 4.12Å; I158-T191 HydrophobicContact CD1-CG2 3.88Å; I158-T191 HydrophobicContact CG2-CG2 4.24Å; I158-I195 HydrophobicContact CD1-CD1 3.68Å; I158-I195 HydrophobicContact CD1-CG1 3.6Å; I158-W198 HydrophobicContact CD1-CH2 3.65Å; I158-W198 HydrophobicContact CD1-CZ3 3.59Å; I158-W198 HydrophobicContact CG1-CH2 4.03Å; I158-W198 HydrophobicContact CG1-CZ3 3.97Å; I158-I203 HydrophobicContact CD1-CD1 4.28Å; I158-I203 HydrophobicContact CG1-CD1 4.26Å; I158-V204 PolarHBondContact N-O 2.76Å; I158-I205 HydrophobicContact CB-CD1 4.06Å; I158-I205 HydrophobicContact CD1-CD1 4.47Å; I158-T206 PolarHBondContact O-N 3.09Å
159	M	94.3	Very high	81.2	Confident	4 Å²	4	29.8 Å²	29.8	2%	0.02	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	112.1	171.3	-172.8	172	68.3	0	0	108.3	H131 E136 G162 D163 V174 T206 V208	H131-M159 HydrophobicContact CB-CB 4.4Å; H131-M159 HydrophobicContact CB-CE 4.07Å; H131-M159 PolarHBondContact O-N 3.35Å; E136-M159 HydrophobicContact CB-CE 3.84Å; E136-M159 HydrophobicContact CG-CE 3.51Å; M159-G162 WeakPolarHBondContact CE-O 3.44Å; M159-D163 HydrophobicContact CE-CB 4.38Å; M159-V174 HydrophobicContact SD-CG2 4.25Å; M159-T206 CarbonylContact C-O 3.52Å; M159-T206 WeakPolarHBondContact CA-O 3.3Å; M159-T206 HydrophobicContact CB-CG2 4Å; M159-T206 HydrophobicContact CG-CG2 4.11Å; M159-V208 HydrophobicContact CE-CG1 4.4Å; M159-V208 HydrophobicContact SD-CG1 3.91Å
160	I	96.2	Very high	83	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	168.1	175.3	58	165.3	0	0	0	110.7	I158 G162 E187 T191 I205 T206 S207 I221 T224	I158-I160 HydrophobicContact CG2-CG2 4.12Å; I160-G162 VanDerWaalsContact C-N 3.34Å; I160-E187 WeakPolarHBondContact CA-OE1 3.44Å; I160-E187 HydrophobicContact CG2-CG 4.38Å; I160-T191 HydrophobicContact CG2-CG2 4.43Å; I160-I205 HydrophobicContact CD1-CG2 3.77Å; I160-I205 HydrophobicContact CG1-CG2 3.87Å; I160-I205 HydrophobicContact CG2-CG2 4.22Å; I160-T206 VanDerWaalsContact CG1-O 3.25Å; I160-T206 WeakPolarHBondContact CG1-O 3.41Å; I160-T206 PolarHBondContact N-O 3.32Å; I160-S207 WeakPolarHBondContact O-CA 3.43Å; I160-S207 WeakPolarHBondContact O-CB 3.36Å; I160-I221 HydrophobicContact CD1-CB 4.3Å; I160-I221 HydrophobicContact CD1-CG1 3.69Å; I160-T224 HydrophobicContact CG2-CG2 4.38Å
161	M	96.3	Very high	85.4	Confident	6 Å²	6	25.2 Å²	25.2	3%	0.03	16%	0.157	C	C	.	.	S	Bend	trans	71.3	24.6	-178.3	-51.3	-161.8	-76.2	0	0	114.5	L183 E187 S207 V208 R210 G217 H220 I221	M161-L183 HydrophobicContact CB-CD2 3.48Å; M161-L183 VanDerWaalsContact CB-CD2 3.48Å; M161-L183 HydrophobicContact CG-CD2 3.51Å; M161-L183 HydrophobicContact SD-CD1 4.38Å; M161-L183 HydrophobicContact SD-CD2 3.92Å; M161-E187 WeakPolarHBondContact CA-OE2 3.09Å; M161-E187 VanDerWaalsContact N-CD 3.28Å; M161-E187 PolarHBondContact N-OE1 2.78Å; M161-E187 PolarHBondContact N-OE2 3.08Å; M161-S207 WeakPolarHBondContact CE-OG 3.44Å; M161-V208 HydrophobicContact CB-CG2 4.12Å; M161-V208 WeakPolarHBondContact O-CG2 3.48Å; M161-R210 HydrophobicContact CB-CG 4.05Å; M161-R210 HydrophobicContact CE-CG 3.98Å; M161-R210 HydrophobicContact SD-CG 3.8Å; M161-G217 VanDerWaalsContact SD-CA 3.55Å; M161-H220 HydrophobicContact SD-CB 4.13Å; M161-I221 HydrophobicContact CE-CD1 4.06Å; M161-I221 HydrophobicContact CE-CG1 4.28Å
162	G	93	Very high	88	Confident	20 Å²	20	22.6 Å²	22.6	21%	0.206	14%	0.138	C	C	.	.			trans	84.6	-170.2	177.3	0	0	0	0	0	114.8	M159 I160	M159-G162 WeakPolarHBondContact CE-O 3.44Å; I160-G162 VanDerWaalsContact C-N 3.34Å
163	D	93.4	Very high	89.8	Confident	26 Å²	26	22.7 Å²	22.7	14%	0.139	14%	0.139	C	C	.	.	S	Bend	trans	-105.4	6	-175.7	70.3	-4.5	0	0	0	114.3	E136 M159 V174 K175	E136-D163 HydrophobicContact CG-CB 4.37Å; M159-D163 HydrophobicContact CE-CB 4.38Å; D163-V174 VanDerWaalsContact O-CG1 3.22Å; D163-V174 WeakPolarHBondContact O-CG1 3.46Å; D163-K175 WeakPolarHBondContact O-CB 3.27Å; D163-K175 PolarHBondContact O-N 3.03Å; D163-K175 IonicContact OD2-NZ 2.66Å; D163-K175 PolarHBondContact OD2-NZ 3.48Å
164	T	95.8	Very high	91.5	Very high	19 Å²	19	21.5 Å²	21.5	12%	0.117	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	113	-170.3	-60.8	0	0	0	0	110.6	K175 S177 P180	T164-K175 CarbonylContact C-O 3.42Å; T164-K175 WeakPolarHBondContact CA-O 3.47Å; T164-K175 HydrophobicContact CG2-CB 4.49Å; T164-S177 VanDerWaalsContact CG2-CB 3.44Å; T164-P180 HydrophobicContact CG2-CB 4.12Å
165	C	97.2	Very high	92.9	Very high	11 Å²	11	26 Å²	26	7%	0.074	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	143.2	-176.5	-169.7	0	0	0	0	112.4	R167 V174 K175 T176 S177 V208 D209	C165-R167 PolarHBondContact O-N 3.25Å; C165-R167 PolarHBondContact SG-N 2.87Å; C165-V174 HydrophobicContact CB-CG1 4.05Å; C165-K175 PolarHBondContact N-O 3.43Å; C165-T176 VanDerWaalsContact O-CA 3.23Å; C165-T176 WeakPolarHBondContact O-CA 3.48Å; C165-S177 PolarHBondContact O-N 3.23Å; C165-V208 HydrophobicContact CB-CB 3.86Å; C165-V208 HydrophobicContact CB-CG1 4.09Å; C165-D209 PolarHBondContact SG-N 3.17Å
166	T	98	Very high	94	Very high	11 Å²	11	30 Å²	30	7%	0.067	17%	0.169	C	C	.	.	S	Bend	trans	-74.5	-8.4	171.5	56.9	0	0	0	0	113.2	S177 P180 D209 D211 D212 R280	T166-S177 WeakPolarHBondContact CA-O 3.22Å; T166-P180 HydrophobicContact CG2-CG 3.8Å; T166-D209 WeakPolarHBondContact CB-O 3.46Å; T166-D209 PolarHBondContact N-O 2.86Å; T166-D209 VanDerWaalsContact OG1-C 3.23Å; T166-D209 PolarHBondContact OG1-O 3.06Å; T166-D211 WeakPolarHBondContact OG1-CB 3.21Å; T166-D211 PolarHBondContact OG1-N 2.84Å; T166-D212 HydrophobicContact CG2-CB 4.41Å; T166-D212 WeakPolarHBondContact CG2-OD1 3.18Å; T166-R280 VanDerWaalsContact O-CZ 3.27Å; T166-R280 PolarHBondContact O-NH1 3.3Å; T166-R280 PolarHBondContact O-NH2 2.89Å
167	R	97.3	Very high	95	Very high	8 Å²	8	31.6 Å²	31.6	3%	0.03	18%	0.18	C	C	.	.			trans	-116.4	146.8	-177.3	-63.3	-165.1	-169.8	173.4	6.7	113.5	C165 T176 D209 D211 D243 R245 D278	C165-R167 PolarHBondContact O-N 3.25Å; C165-R167 PolarHBondContact SG-N 2.87Å; R167-T176 WeakPolarHBondContact O-CG2 3.46Å; R167-D209 HydrophobicContact CB-CB 4.18Å; R167-D209 WeakPolarHBondContact CD-OD2 3.4Å; R167-D209 HydrophobicContact CG-CB 3.65Å; R167-D209 IonicContact CZ-OD1 3.53Å; R167-D209 VanDerWaalsContact CZ-OD1 3.24Å; R167-D209 IonicContact NE-OD1 2.8Å; R167-D209 PolarHBondContact NE-OD1 3.39Å; R167-D209 IonicContact NH1-OD1 2.65Å; R167-D209 PolarHBondContact NH1-OD1 2.84Å; R167-D209 IonicContact NH2-OD1 2.74Å; R167-D211 WeakPolarHBondContact CG-OD2 3.37Å; R167-D211 IonicContact CZ-OD1 3.96Å; R167-D211 IonicContact CZ-OD2 2.93Å; R167-D211 IonicContact NE-OD1 3.03Å; R167-D211 PolarHBondContact NE-OD1 3.45Å; R167-D211 IonicContact NE-OD2 3.8Å; R167-D211 PolarHBondContact NE-OD2 3.19Å; R167-D211 IonicContact NH2-OD1 2.8Å; R167-D211 PolarHBondContact NH2-OD1 3.31Å; R167-D211 IonicContact NH2-OD2 2.83Å; R167-D243 IonicContact CZ-OD1 3.66Å; R167-D243 VanDerWaalsContact CZ-OD1 3.28Å; R167-D243 IonicContact CZ-OD2 2.8Å; R167-D243 IonicContact NH1-OD1 2.68Å; R167-D243 PolarHBondContact NH1-OD1 3.44Å; R167-D243 IonicContact NH1-OD2 3.42Å; R167-D243 PolarHBondContact NH1-OD2 2.7Å; R167-D243 IonicContact NH2-OD1 2.65Å; R167-D243 PolarHBondContact NH2-OD1 3.16Å; R167-D243 IonicContact NH2-OD2 3.64Å; R167-R245 VanDerWaalsContact NH2-CG 3.26Å; R167-D278 WeakPolarHBondContact CA-OD2 3.36Å; R167-D278 HydrophobicContact CB-CB 3.85Å; R167-D278 HydrophobicContact CG-CB 4.32Å
168	G	95.5	Very high	95.3	Very high	37 Å²	37	36.3 Å²	36.3	38%	0.381	21%	0.21	S	C	.	.			trans	-112.2	58.8	-176.2	0	0	0	0	0	114.2	R170 D278	G168-R170 PolarHBondContact O-N 3.03Å; G168-D278 PolarHBondContact N-OD2 3.5Å
169	C	97.5	Very high	95.5	Very high	23 Å²	23	42.7 Å²	42.7	16%	0.155	24%	0.244	C	C	.	.			trans	-60.8	126.5	173.7	-69.3	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 4.21Å; C169-F171 PolarHBondContact O-N 3.42Å; C169-F171 VanDerWaalsContact O-N 3.17Å; C169-C172 HydrophobicContact CB-CB 4.03Å; C169-C172 PolarHBondContact O-N 3.28Å; C169-C172 VanDerWaalsContact O-N 3.09Å; C169-D278 PolarHBondContact SG-N 3.19Å; C169-D278 VanDerWaalsContact SG-N 3.39Å
170	R	96.6	Very high	95.6	Very high	140 Å²	140	43.2 Å²	43.2	53%	0.528	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-8.2	-168.6	-55.7	-165.5	-176	159.9	-9.7	114.9	G168 V275 V276 H354 L355	G168-R170 PolarHBondContact O-N 3.03Å; R170-V275 VanDerWaalsContact CD-O 3.27Å; R170-V275 WeakPolarHBondContact CD-O 3.39Å; R170-V276 PolarHBondContact N-O 3.32Å; R170-H354 WeakPolarHBondContact O-CA 3.48Å; R170-H354 WeakPolarHBondContact O-CB 3.1Å; R170-L355 HydrophobicContact CB-CD1 3.92Å; R170-L355 HydrophobicContact CB-CD2 4.08Å; R170-L355 HydrophobicContact CB-CG 3.65Å; R170-L355 PolarHBondContact O-N 3.42Å; R170-L355 VanDerWaalsContact O-N 3.09Å
171	F	95.2	Very high	95.5	Very high	31 Å²	31	47.1 Å²	47.1	14%	0.136	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-16	172.9	72.4	-92.2	0	0	0	113	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 4.21Å; C169-F171 PolarHBondContact O-N 3.42Å; C169-F171 VanDerWaalsContact O-N 3.17Å; F171-E267 HydrophobicContact CE1-CB 4.41Å; F171-E267 HydrophobicContact CE1-CG 4.12Å; F171-E267 HydrophobicContact CZ-CB 4.47Å; F171-E267 HydrophobicContact CZ-CG 3.86Å; F171-V276 HydrophobicContact CB-CG1 4.45Å; F171-V276 HydrophobicContact CD1-CG1 3.6Å; F171-V276 HydrophobicContact CE1-CG1 4.27Å; F171-V276 HydrophobicContact CG-CG1 4.36Å; F171-R277 HydrophobicContact CE1-CG 4.15Å; F171-M317 HydrophobicContact CB-CE 4.44Å; F171-M317 HydrophobicContact CD1-CE 4.1Å; F171-M317 HydrophobicContact CD2-CE 3.53Å; F171-M317 HydrophobicContact CD2-SD 4Å; F171-M317 HydrophobicContact CE1-CE 4.19Å; F171-M317 HydrophobicContact CE2-CE 3.64Å; F171-M317 HydrophobicContact CE2-SD 4.34Å; F171-M317 HydrophobicContact CG-CE 3.77Å; F171-M317 HydrophobicContact CZ-CE 3.97Å; F171-Y347 HydrophobicContact CB-CD2 4.19Å; F171-Y347 HydrophobicContact CB-CE2 3.67Å; F171-P350 WeakPolarHBondContact O-CG 3.19Å
172	C	95	Very high	95.5	Very high	42 Å²	42	52.5 Å²	52.5	28%	0.284	31%	0.309	S	S	.	.			trans	-102.8	135.3	-167.8	-174.6	0	0	0	0	111.5	C169 V174 H354	C169-C172 HydrophobicContact CB-CB 4.03Å; C169-C172 PolarHBondContact O-N 3.28Å; C169-C172 VanDerWaalsContact O-N 3.09Å; C172-V174 VanDerWaalsContact SG-CG2 3.59Å; C172-H354 PolarHBondContact O-CD2 2.89Å; C172-H354 VanDerWaalsContact O-CD2 3.27Å; C172-H354 PolarHBondContact O-NE2 3.3Å
173	S	93.8	Very high	95.7	Very high	26 Å²	26	53.6 Å²	53.6	18%	0.182	31%	0.31	C	S	.	.			trans	-96.5	1.8	-179.2	60.3	0	0	0	0	115.9	E136 A137 H354	E136-S173 PolarHBondContact O-OG 3.21Å; A137-S173 WeakPolarHBondContact CA-OG 3.23Å; S173-H354 WeakPolarHBondContact CA-NE2 3.19Å
174	V	93.6	Very high	95.8	Very high	16 Å²	16	54.8 Å²	54.8	10%	0.097	32%	0.316	C	S	.	.	S	Bend	trans	-58.1	141.9	173.2	176.1	0	0	0	0	109	E136 M159 D163 C165 C172 V208	E136-V174 HydrophobicContact CB-CG2 4.28Å; M159-V174 HydrophobicContact SD-CG2 4.25Å; D163-V174 VanDerWaalsContact O-CG1 3.22Å; D163-V174 WeakPolarHBondContact O-CG1 3.46Å; C165-V174 HydrophobicContact CB-CG1 4.05Å; C172-V174 VanDerWaalsContact SG-CG2 3.59Å; V174-V208 HydrophobicContact CG1-CG1 3.75Å
175	K	94.5	Very high	95.7	Very high	113 Å²	113	58 Å²	58	49%	0.491	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	154	-178.6	-61	171	-170.7	161.5	0	109.7	D163 T164 C165	D163-K175 WeakPolarHBondContact O-CB 3.27Å; D163-K175 PolarHBondContact O-N 3.03Å; D163-K175 IonicContact OD2-NZ 2.66Å; D163-K175 PolarHBondContact OD2-NZ 3.48Å; T164-K175 CarbonylContact C-O 3.42Å; T164-K175 WeakPolarHBondContact CA-O 3.47Å; T164-K175 HydrophobicContact CG2-CB 4.49Å; C165-K175 PolarHBondContact N-O 3.43Å
176	T	96.1	Very high	95.6	Very high	90 Å²	90	61.9 Å²	61.9	55%	0.552	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.3	137.8	-179.9	61.6	0	0	0	0	111.7	C165 R167	C165-T176 VanDerWaalsContact O-CA 3.23Å; C165-T176 WeakPolarHBondContact O-CA 3.48Å; R167-T176 WeakPolarHBondContact O-CG2 3.46Å
177	S	96.6	Very high	95.5	Very high	37 Å²	37	61.8 Å²	61.8	26%	0.259	36%	0.356	S	S	.	.			trans	-153.4	137.2	172.7	179.9	0	0	0	0	109.1	T164 C165 T166 N179	T164-S177 VanDerWaalsContact CG2-CB 3.44Å; C165-S177 PolarHBondContact O-N 3.23Å; T166-S177 WeakPolarHBondContact CA-O 3.22Å; S177-N179 PolarHBondContact O-N 2.78Å; S177-N179 VanDerWaalsContact OG-C 3.26Å; S177-N179 PolarHBondContact OG-N 3.22Å; S177-N179 VanDerWaalsContact OG-N 3.07Å; S177-N179 PolarHBondContact OG-O 3.07Å
178	P	93.8	Very high	95.5	Very high	102 Å²	102	61.4 Å²	61.4	66%	0.662	35%	0.354	S	S	*	.	S	Bend	trans	-64	-22.4	168.6	28	-34.1	0	0	0	112.3
179	N	95.3	Very high	95.5	Very high	135 Å²	135	61.6 Å²	61.6	72%	0.722	35%	0.348	S	S	*	.	S	Bend	trans	-125	78.3	-179.9	-56.5	-49	0	0	0	109.2	S177	S177-N179 PolarHBondContact O-N 2.78Å; S177-N179 VanDerWaalsContact OG-C 3.26Å; S177-N179 PolarHBondContact OG-N 3.22Å; S177-N179 VanDerWaalsContact OG-N 3.07Å; S177-N179 PolarHBondContact OG-O 3.07Å
180	P	96.6	Very high	95.3	Very high	15 Å²	15	62.6 Å²	62.6	10%	0.097	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-68.5	163.3	174.3	31.3	-36.2	0	0	0	111	T164 T166	T164-P180 HydrophobicContact CG2-CB 4.12Å; T166-P180 HydrophobicContact CG2-CG 3.8Å
181	P	95.7	Very high	95.2	Very high	82 Å²	82	55.9 Å²	55.9	53%	0.532	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-55.5	154.1	171.7	-25.3	35.3	0	0	0	113	R210	P181-R210 PolarHBondContact O-NH1 3.19Å; P181-R210 VanDerWaalsContact O-NH1 3.16Å; P181-R210 PolarHBondContact O-NH2 2.98Å; P181-R210 VanDerWaalsContact O-NH2 3.09Å
182	P	95.9	Very high	95.2	Very high	118 Å²	118	54.5 Å²	54.5	77%	0.766	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-59.7	151.8	173.5	27.3	-34.7	0	0	0	110.7	D184	P182-D184 PolarHBondContact O-N 3.2Å
183	L	96.1	Very high	95	Very high	44 Å²	44	55.9 Å²	55.9	23%	0.23	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-62.5	135.7	172.9	-68.6	178.3	0	0	0	110.3	M161 P185 L213 H220	M161-L183 HydrophobicContact CB-CD2 3.48Å; M161-L183 VanDerWaalsContact CB-CD2 3.48Å; M161-L183 HydrophobicContact CG-CD2 3.51Å; M161-L183 HydrophobicContact SD-CD1 4.38Å; M161-L183 HydrophobicContact SD-CD2 3.92Å; L183-P185 WeakPolarHBondContact O-CD 3.42Å; L183-L213 HydrophobicContact CD1-CD1 3.33Å; L183-L213 HydrophobicContact CG-CD1 3.9Å; L183-H220 HydrophobicContact CD1-CB 4.05Å
184	D	95.1	Very high	94.8	Very high	51 Å²	51	54.7 Å²	54.7	27%	0.273	31%	0.314	S	S	.	.			trans	-72.2	114.3	168.3	173.8	2	0	0	0	108.9	P182 D186 E187 H220	P182-D184 PolarHBondContact O-N 3.2Å; D184-D186 PolarHBondContact O-N 2.9Å; D184-D186 VanDerWaalsContact O-N 3.14Å; D184-D186 PolarHBondContact OD1-N 3.08Å; D184-E187 HydrophobicContact CB-CB 4.02Å; D184-E187 WeakPolarHBondContact O-CB 3.37Å; D184-E187 PolarHBondContact O-N 3.17Å; D184-H220 PolarHBondContact O-CE1 3.28Å; D184-H220 VanDerWaalsContact O-CE1 3.27Å
185	P	95.1	Very high	94.6	Very high	86 Å²	86	54 Å²	54	56%	0.558	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.1	-177.7	26.9	-35.3	0	0	0	114.1	L183 K223	L183-P185 WeakPolarHBondContact O-CD 3.42Å; P185-K223 PolarHBondContact O-NZ 2.88Å
186	D	94.9	Very high	94.4	Very high	92 Å²	92	51 Å²	51	49%	0.492	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-10.4	-178.7	-64.6	-37.7	0	0	0	113	D184 P188 V189 N190	D184-D186 PolarHBondContact O-N 2.9Å; D184-D186 VanDerWaalsContact O-N 3.14Å; D184-D186 PolarHBondContact OD1-N 3.08Å; D186-P188 VanDerWaalsContact C-CD 3.41Å; D186-P188 VanDerWaalsContact C-N 3.3Å; D186-P188 VanDerWaalsContact O-N 3.17Å; D186-V189 WeakPolarHBondContact O-CB 3.29Å; D186-V189 PolarHBondContact O-N 2.86Å; D186-N190 PolarHBondContact O-N 3.21Å
187	E	96.1	Very high	93.9	Very high	9 Å²	9	52.7 Å²	52.7	4%	0.042	30%	0.304	C	S	.	.	H	α-helix	trans	-48.5	-43.1	176.3	178.5	-177.6	-122.3	0	0	113	L130 I160 M161 D184 V189 N190 T191 H220	L130-E187 HydrophobicContact CD2-CG 4.4Å; I160-E187 WeakPolarHBondContact CA-OE1 3.44Å; I160-E187 HydrophobicContact CG2-CG 4.38Å; M161-E187 WeakPolarHBondContact CA-OE2 3.09Å; M161-E187 VanDerWaalsContact N-CD 3.28Å; M161-E187 PolarHBondContact N-OE1 2.78Å; M161-E187 PolarHBondContact N-OE2 3.08Å; D184-E187 HydrophobicContact CB-CB 4.02Å; D184-E187 WeakPolarHBondContact O-CB 3.37Å; D184-E187 PolarHBondContact O-N 3.17Å; E187-V189 VanDerWaalsContact C-N 3.32Å; E187-V189 PolarHBondContact O-N 3.21Å; E187-N190 PolarHBondContact O-N 3.01Å; E187-T191 WeakPolarHBondContact O-CB 3.46Å; E187-T191 PolarHBondContact O-N 3.11Å; E187-T191 PolarHBondContact O-OG1 3.02Å; E187-H220 IonicContact OE2-CD2 3.36Å; E187-H220 IonicContact OE2-CE1 3.42Å; E187-H220 IonicContact OE2-NE2 2.75Å; E187-H220 PolarHBondContact OE2-NE2 2.66Å
188	P	96.8	Very high	93.3	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.8	-36.8	177.1	-28.9	40.4	0	0	0	114.1	D186 A192 H220 K223 T224 Q227	D186-P188 VanDerWaalsContact C-CD 3.41Å; D186-P188 VanDerWaalsContact C-N 3.3Å; D186-P188 VanDerWaalsContact O-N 3.17Å; P188-A192 WeakPolarHBondContact O-CB 3.48Å; P188-A192 PolarHBondContact O-N 3.48Å; P188-H220 VanDerWaalsContact CD-CE1 3.46Å; P188-H220 WeakPolarHBondContact CD-CE1 3.28Å; P188-H220 WeakPolarHBondContact CD-NE2 3.48Å; P188-H220 VanDerWaalsContact CG-NE2 3.32Å; P188-H220 WeakPolarHBondContact CG-NE2 3.35Å; P188-K223 HydrophobicContact CB-CB 4.25Å; P188-K223 HydrophobicContact CB-CD 4.12Å; P188-K223 HydrophobicContact CB-CG 3.82Å; P188-K223 HydrophobicContact CG-CB 4.27Å; P188-K223 HydrophobicContact CG-CD 3.96Å; P188-K223 HydrophobicContact CG-CG 4.08Å; P188-T224 WeakPolarHBondContact CA-OG1 3.25Å; P188-T224 WeakPolarHBondContact CB-OG1 3.4Å; P188-T224 WeakPolarHBondContact CG-OG1 3.43Å; P188-Q227 HydrophobicContact CB-CG 4.33Å; P188-Q227 WeakPolarHBondContact O-CB 3.38Å
189	V	95.5	Very high	92.6	Very high	42 Å²	42	54.2 Å²	54.2	26%	0.255	30%	0.302	S	S	.	.	H	α-helix	trans	-74.7	-47.7	-179.3	176.6	0	0	0	0	109.4	D186 E187 T191 A192 E193 Q227	D186-V189 WeakPolarHBondContact O-CB 3.29Å; D186-V189 PolarHBondContact O-N 2.86Å; E187-V189 VanDerWaalsContact C-N 3.32Å; E187-V189 PolarHBondContact O-N 3.21Å; V189-T191 VanDerWaalsContact C-N 3.34Å; V189-T191 PolarHBondContact O-N 3.43Å; V189-A192 PolarHBondContact O-N 3.02Å; V189-E193 PolarHBondContact O-N 2.9Å; V189-Q227 HydrophobicContact CG2-CG 4.42Å
190	N	93.4	Very high	91.8	Very high	43 Å²	43	48.1 Å²	48.1	23%	0.23	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-41.2	178.3	-66	-20.8	0	0	0	111.5	D186 E187 E193 A194	D186-N190 PolarHBondContact O-N 3.21Å; E187-N190 PolarHBondContact O-N 3.01Å; N190-E193 PolarHBondContact O-N 2.78Å; N190-A194 WeakPolarHBondContact O-CB 3.36Å; N190-A194 PolarHBondContact O-N 3.05Å
191	T	94.2	Very high	91.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.6	-48.1	174.8	-62.7	0	0	0	0	111	L130 I158 I160 E187 V189 E193 A194 I195 I205 T224 I228	L130-T191 VanDerWaalsContact CD2-OG1 3.27Å; L130-T191 WeakPolarHBondContact CD2-OG1 3.35Å; I158-T191 HydrophobicContact CD1-CG2 3.88Å; I158-T191 HydrophobicContact CG2-CG2 4.24Å; I160-T191 HydrophobicContact CG2-CG2 4.43Å; E187-T191 WeakPolarHBondContact O-CB 3.46Å; E187-T191 PolarHBondContact O-N 3.11Å; E187-T191 PolarHBondContact O-OG1 3.02Å; V189-T191 VanDerWaalsContact C-N 3.34Å; V189-T191 PolarHBondContact O-N 3.43Å; T191-E193 PolarHBondContact O-N 3.14Å; T191-A194 WeakPolarHBondContact O-CB 3.35Å; T191-A194 PolarHBondContact O-N 3.18Å; T191-I195 HydrophobicContact CG2-CD1 3.76Å; T191-I195 WeakPolarHBondContact O-CD1 3.48Å; T191-I195 WeakPolarHBondContact O-CG1 3.48Å; T191-I195 PolarHBondContact O-N 2.93Å; T191-I205 HydrophobicContact CG2-CD1 4.32Å; T191-T224 HydrophobicContact CG2-CG2 3.7Å; T191-I228 HydrophobicContact CG2-CD1 4.39Å
192	A	94.4	Very high	90.8	Very high	1 Å²	1	47 Å²	47	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-66.3	-37.8	179.5	0	0	0	0	0	112.6	P188 V189 S196 Q227 I228	P188-A192 WeakPolarHBondContact O-CB 3.48Å; P188-A192 PolarHBondContact O-N 3.48Å; V189-A192 PolarHBondContact O-N 3.02Å; A192-S196 WeakPolarHBondContact O-CB 3.37Å; A192-S196 PolarHBondContact O-N 3.29Å; A192-S196 PolarHBondContact O-OG 3.44Å; A192-Q227 HydrophobicContact CB-CB 3.62Å; A192-Q227 WeakPolarHBondContact CB-O 3.41Å; A192-I228 HydrophobicContact CB-CG1 3.95Å
193	E	92.2	Very high	90.5	Very high	72 Å²	72	41.4 Å²	41.4	34%	0.336	22%	0.221	S	C	.	.	H	α-helix	trans	-64	-43.7	174.1	-175	-178.8	166.7	0	0	111.4	V189 N190 T191 S196 K197	V189-E193 PolarHBondContact O-N 2.9Å; N190-E193 PolarHBondContact O-N 2.78Å; T191-E193 PolarHBondContact O-N 3.14Å; E193-S196 PolarHBondContact O-N 2.94Å; E193-S196 PolarHBondContact O-OG 2.98Å; E193-K197 WeakPolarHBondContact O-CG 3.44Å; E193-K197 PolarHBondContact O-N 3.07Å; E193-K197 WeakPolarHBondContact OE1-CE 3.37Å; E193-K197 IonicContact OE1-NZ 3.58Å; E193-K197 PolarHBondContact OE1-NZ 3.35Å
194	A	89.3	Confident	90.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-56.5	-53.6	175.6	0	0	0	0	0	111.2	L128 L130 N190 T191 S196 K197 W198	L128-A194 HydrophobicContact CD1-CB 3.37Å; L130-A194 HydrophobicContact CD1-CB 3.54Å; N190-A194 WeakPolarHBondContact O-CB 3.36Å; N190-A194 PolarHBondContact O-N 3.05Å; T191-A194 WeakPolarHBondContact O-CB 3.35Å; T191-A194 PolarHBondContact O-N 3.18Å; A194-S196 VanDerWaalsContact C-N 3.3Å; A194-S196 PolarHBondContact O-N 3Å; A194-K197 PolarHBondContact O-N 3.02Å; A194-K197 VanDerWaalsContact O-N 3.09Å; A194-W198 HydrophobicContact CB-CH2 4.45Å; A194-W198 HydrophobicContact CB-CZ2 4.04Å; A194-W198 PolarHBondContact O-N 3.32Å
195	I	89.7	Confident	90.4	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-62.3	-38	-178.1	-67.9	162.3	0	0	0	111.2	I158 T191 K197 W198 V200 I203 I205 I228 I235	I158-I195 HydrophobicContact CD1-CD1 3.68Å; I158-I195 HydrophobicContact CD1-CG1 3.6Å; T191-I195 HydrophobicContact CG2-CD1 3.76Å; T191-I195 WeakPolarHBondContact O-CD1 3.48Å; T191-I195 WeakPolarHBondContact O-CG1 3.48Å; T191-I195 PolarHBondContact O-N 2.93Å; I195-K197 PolarHBondContact O-N 3.01Å; I195-W198 HydrophobicContact CG1-CE3 4.2Å; I195-W198 HydrophobicContact CG1-CZ3 4.13Å; I195-W198 PolarHBondContact O-N 2.76Å; I195-V200 HydrophobicContact CG2-CG2 4.41Å; I195-I203 HydrophobicContact CD1-CD1 4.28Å; I195-I203 HydrophobicContact CD1-CG1 3.8Å; I195-I203 HydrophobicContact CD1-CG2 4.43Å; I195-I203 HydrophobicContact CG1-CD1 4.09Å; I195-I203 HydrophobicContact CG1-CG1 4.14Å; I195-I205 HydrophobicContact CD1-CD1 4.06Å; I195-I228 HydrophobicContact CD1-CD1 3.41Å; I195-I228 VanDerWaalsContact CD1-CD1 3.41Å; I195-I228 HydrophobicContact CD1-CG1 3.65Å; I195-I228 HydrophobicContact CG2-CG2 4.42Å; I195-I235 HydrophobicContact CG2-CD1 3.36Å
196	S	89.6	Confident	90.4	Very high	52 Å²	52	33.5 Å²	33.5	36%	0.364	18%	0.175	S	C	.	.	H	α-helix	trans	-63.8	-25.1	178.1	69.8	0	0	0	0	113.6	A192 E193 A194 W198	A192-S196 WeakPolarHBondContact O-CB 3.37Å; A192-S196 PolarHBondContact O-N 3.29Å; A192-S196 PolarHBondContact O-OG 3.44Å; E193-S196 PolarHBondContact O-N 2.94Å; E193-S196 PolarHBondContact O-OG 2.98Å; A194-S196 VanDerWaalsContact C-N 3.3Å; A194-S196 PolarHBondContact O-N 3Å; S196-W198 VanDerWaalsContact C-N 3.34Å
197	K	86.2	Confident	90.5	Very high	125 Å²	125	29.9 Å²	29.9	54%	0.543	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-9	176.2	-66.1	171.7	-174.1	171	0	112.5	E193 A194 I195	E193-K197 WeakPolarHBondContact O-CG 3.44Å; E193-K197 PolarHBondContact O-N 3.07Å; E193-K197 WeakPolarHBondContact OE1-CE 3.37Å; E193-K197 IonicContact OE1-NZ 3.58Å; E193-K197 PolarHBondContact OE1-NZ 3.35Å; A194-K197 PolarHBondContact O-N 3.02Å; A194-K197 VanDerWaalsContact O-N 3.09Å; I195-K197 PolarHBondContact O-N 3.01Å
198	W	83.2	Confident	90.5	Very high	21 Å²	21	29.8 Å²	29.8	8%	0.08	16%	0.157	C	C	.	.	S	Bend	trans	-96.1	140.2	179.4	-59.8	-15.6	0	0	0	111.3	L121 L125 A156 I158 A194 I195 S196 V200 I203 K232	L121-W198 HydrophobicContact CD1-CD2 4.12Å; L121-W198 HydrophobicContact CD1-CH2 4.42Å; L121-W198 HydrophobicContact CD1-CZ2 3.74Å; L125-W198 HydrophobicContact CD2-CH2 3.58Å; L125-W198 HydrophobicContact CD2-CZ2 3.8Å; L125-W198 HydrophobicContact CG-CH2 4.36Å; L125-W198 HydrophobicContact CG-CZ2 4.2Å; A156-W198 HydrophobicContact CB-CE3 4.08Å; A156-W198 HydrophobicContact CB-CZ3 3.66Å; I158-W198 HydrophobicContact CD1-CH2 3.65Å; I158-W198 HydrophobicContact CD1-CZ3 3.59Å; I158-W198 HydrophobicContact CG1-CH2 4.03Å; I158-W198 HydrophobicContact CG1-CZ3 3.97Å; A194-W198 HydrophobicContact CB-CH2 4.45Å; A194-W198 HydrophobicContact CB-CZ2 4.04Å; A194-W198 PolarHBondContact O-N 3.32Å; I195-W198 HydrophobicContact CG1-CE3 4.2Å; I195-W198 HydrophobicContact CG1-CZ3 4.13Å; I195-W198 PolarHBondContact O-N 2.76Å; S196-W198 VanDerWaalsContact C-N 3.34Å; W198-V200 HydrophobicContact CB-CG1 4.18Å; W198-V200 HydrophobicContact CB-CG2 4.02Å; W198-V200 PolarHBondContact O-N 2.99Å; W198-I203 HydrophobicContact CE3-CD1 4.39Å; W198-I203 HydrophobicContact CZ3-CD1 4.11Å; W198-K232 PolarHBondContact O-NZ 2.95Å
199	D	78.4	Confident	90.6	Very high	150 Å²	150	31 Å²	31	80%	0.802	16%	0.163	S	C	*	.			trans	-83.5	65.2	175.3	-167.7	27.8	0	0	0	110.6
200	V	79.9	Confident	90.7	Very high	6 Å²	6	29.2 Å²	29.2	4%	0.036	15%	0.152	C	C	.	.			trans	-126.6	130.5	-179.4	-58.4	0	0	0	0	111	A154 I195 W198 K232 I235	A154-V200 HydrophobicContact CB-CG1 4.29Å; A154-V200 VanDerWaalsContact O-CG1 3.22Å; A154-V200 WeakPolarHBondContact O-CG1 3.49Å; I195-V200 HydrophobicContact CG2-CG2 4.41Å; W198-V200 HydrophobicContact CB-CG1 4.18Å; W198-V200 HydrophobicContact CB-CG2 4.02Å; W198-V200 PolarHBondContact O-N 2.99Å; V200-K232 WeakPolarHBondContact O-CE 3.16Å; V200-K232 PolarHBondContact O-NZ 3.48Å; V200-I235 HydrophobicContact CG2-CD1 4.17Å
201	D	82.8	Confident	90.9	Very high	64 Å²	64	28.6 Å²	28.6	34%	0.342	15%	0.148	S	C	.	.	S	Bend	trans	-89.2	-13.1	175.1	-74.6	-17.5	0	0	0	112.8	I235 I236 K399	D201-I235 WeakPolarHBondContact O-CG1 3.21Å; D201-I236 PolarHBondContact O-N 2.86Å; D201-K399 IonicContact OD2-NZ 2.73Å; D201-K399 PolarHBondContact OD2-NZ 3.47Å
202	Y	87.9	Confident	91	Very high	10 Å²	10	32 Å²	32	4%	0.039	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	130.7	-174.4	-161.9	-74.6	0	0	0	109.3	T155 V204 I236 E238 E395 I398	T155-Y202 HydrophobicContact CG2-CD1 4.47Å; Y202-V204 HydrophobicContact CD1-CG2 4.3Å; Y202-V204 HydrophobicContact CE1-CG2 3.82Å; Y202-I236 HydrophobicContact CD2-CB 3.7Å; Y202-I236 HydrophobicContact CD2-CD1 4.3Å; Y202-I236 HydrophobicContact CD2-CG2 3.44Å; Y202-I236 VanDerWaalsContact CD2-CG2 3.44Å; Y202-I236 HydrophobicContact CE2-CB 4.11Å; Y202-I236 HydrophobicContact CE2-CG2 3.3Å; Y202-I236 HydrophobicContact CG-CB 4.35Å; Y202-I236 HydrophobicContact CG-CG2 4.31Å; Y202-E238 HydrophobicContact CE1-CB 3.74Å; Y202-E238 WeakPolarHBondContact OH-CB 2.84Å; Y202-E238 PolarHBondContact OH-OE2 2.8Å; Y202-E395 HydrophobicContact CD1-CG 3.64Å; Y202-E395 HydrophobicContact CD2-CB 3.93Å; Y202-E395 HydrophobicContact CD2-CG 3.89Å; Y202-E395 HydrophobicContact CE1-CG 3.76Å; Y202-E395 HydrophobicContact CE2-CB 4.17Å; Y202-E395 HydrophobicContact CE2-CG 3.97Å; Y202-E395 HydrophobicContact CG-CB 4.1Å; Y202-E395 HydrophobicContact CG-CG 3.72Å; Y202-I398 HydrophobicContact CE2-CB 4.44Å; Y202-I398 HydrophobicContact CE2-CG2 3.95Å
203	I	90.5	Very high	91.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	136.3	174.7	-167	75.2	0	0	0	110.5	A156 I158 I195 W198 I205 I235 I236 V237 E238	A156-I203 HydrophobicContact CB-CD1 3.77Å; A156-I203 VanDerWaalsContact O-CD1 3.29Å; A156-I203 WeakPolarHBondContact O-CD1 3.33Å; I158-I203 HydrophobicContact CD1-CD1 4.28Å; I158-I203 HydrophobicContact CG1-CD1 4.26Å; I195-I203 HydrophobicContact CD1-CD1 4.28Å; I195-I203 HydrophobicContact CD1-CG1 3.8Å; I195-I203 HydrophobicContact CD1-CG2 4.43Å; I195-I203 HydrophobicContact CG1-CD1 4.09Å; I195-I203 HydrophobicContact CG1-CG1 4.14Å; W198-I203 HydrophobicContact CE3-CD1 4.39Å; W198-I203 HydrophobicContact CZ3-CD1 4.11Å; I203-I205 HydrophobicContact CG1-CD1 3.91Å; I203-I235 HydrophobicContact CB-CD1 3.85Å; I203-I235 HydrophobicContact CG2-CD1 3.63Å; I203-I235 HydrophobicContact CG2-CG1 4.27Å; I203-I236 PolarHBondContact N-O 3.36Å; I203-V237 HydrophobicContact CG2-CB 4.46Å; I203-V237 HydrophobicContact CG2-CG1 4.38Å; I203-V237 HydrophobicContact CG2-CG2 4.07Å; I203-E238 PolarHBondContact O-N 2.91Å
204	V	92.9	Very high	91.3	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.6	167.5	-174.8	0	0	0	0	108.5	A156 T157 I158 Y202 E238 L240	A156-V204 PolarHBondContact O-N 3.3Å; T157-V204 CarbonylContact C-O 3.53Å; T157-V204 VanDerWaalsContact CA-O 3.28Å; T157-V204 WeakPolarHBondContact CA-O 3.38Å; T157-V204 HydrophobicContact CG2-CB 3.86Å; T157-V204 HydrophobicContact CG2-CG1 3.74Å; I158-V204 PolarHBondContact N-O 2.76Å; Y202-V204 HydrophobicContact CD1-CG2 4.3Å; Y202-V204 HydrophobicContact CE1-CG2 3.82Å; V204-E238 CarbonylContact C-O 3.55Å; V204-E238 WeakPolarHBondContact CA-O 3.24Å; V204-E238 HydrophobicContact CG1-CG 4.29Å; V204-E238 HydrophobicContact CG2-CB 4.17Å; V204-E238 HydrophobicContact CG2-CG 4.4Å; V204-L240 HydrophobicContact CG1-CB 4.45Å
205	I	94.8	Very high	91.7	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	129.2	168.7	-54.7	-58	0	0	0	107.6	I158 I160 T191 I195 I203 I228 V237 E238 C239 L240	I158-I205 HydrophobicContact CB-CD1 4.06Å; I158-I205 HydrophobicContact CD1-CD1 4.47Å; I160-I205 HydrophobicContact CD1-CG2 3.77Å; I160-I205 HydrophobicContact CG1-CG2 3.87Å; I160-I205 HydrophobicContact CG2-CG2 4.22Å; T191-I205 HydrophobicContact CG2-CD1 4.32Å; I195-I205 HydrophobicContact CD1-CD1 4.06Å; I203-I205 HydrophobicContact CG1-CD1 3.91Å; I205-I228 HydrophobicContact CD1-CD1 3.84Å; I205-I228 HydrophobicContact CG1-CD1 3.98Å; I205-V237 HydrophobicContact CG1-CG1 4.25Å; I205-E238 PolarHBondContact N-O 3.06Å; I205-C239 CarbonylContact O-C 3.59Å; I205-C239 WeakPolarHBondContact O-CA 3.32Å; I205-L240 PolarHBondContact O-N 3Å
206	T	95.9	Very high	92.1	Very high	13 Å²	13	36.7 Å²	36.7	8%	0.08	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	172.2	171.4	-164.5	0	0	0	0	110.2	V133 T157 I158 M159 I160 L240	V133-T206 HydrophobicContact CB-CG2 4Å; V133-T206 HydrophobicContact CG1-CG2 4.29Å; T157-T206 HydrophobicContact CG2-CG2 3.93Å; I158-T206 PolarHBondContact O-N 3.09Å; M159-T206 CarbonylContact C-O 3.52Å; M159-T206 WeakPolarHBondContact CA-O 3.3Å; M159-T206 HydrophobicContact CB-CG2 4Å; M159-T206 HydrophobicContact CG-CG2 4.11Å; I160-T206 VanDerWaalsContact CG1-O 3.25Å; I160-T206 WeakPolarHBondContact CG1-O 3.41Å; I160-T206 PolarHBondContact N-O 3.32Å; T206-L240 VanDerWaalsContact CA-O 3.28Å; T206-L240 WeakPolarHBondContact CA-O 3.38Å; T206-L240 WeakPolarHBondContact CB-O 3.41Å; T206-L240 PolarHBondContact OG1-O 3.13Å
207	S	96.6	Very high	92.4	Very high	17 Å²	17	34.3 Å²	34.3	12%	0.119	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	162.9	178.4	76.6	0	0	0	0	111.9	I160 M161 P242	I160-S207 WeakPolarHBondContact O-CA 3.43Å; I160-S207 WeakPolarHBondContact O-CB 3.36Å; M161-S207 WeakPolarHBondContact CE-OG 3.44Å; S207-P242 VanDerWaalsContact OG-CD 3.26Å; S207-P242 WeakPolarHBondContact OG-CD 3.21Å; S207-P242 WeakPolarHBondContact OG-CG 3.32Å
208	V	96.7	Very high	93	Very high	6 Å²	6	28.3 Å²	28.3	4%	0.036	17%	0.174	C	C	.	.			trans	-71.9	162.4	162.2	-60	0	0	0	0	111.1	M159 M161 C165 V174 R210	M159-V208 HydrophobicContact CE-CG1 4.4Å; M159-V208 HydrophobicContact SD-CG1 3.91Å; M161-V208 HydrophobicContact CB-CG2 4.12Å; M161-V208 WeakPolarHBondContact O-CG2 3.48Å; C165-V208 HydrophobicContact CB-CB 3.86Å; C165-V208 HydrophobicContact CB-CG1 4.09Å; V174-V208 HydrophobicContact CG1-CG1 3.75Å; V208-R210 HydrophobicContact CG2-CG 4.19Å
209	D	98.1	Very high	93.8	Very high	25 Å²	25	35.1 Å²	35.1	13%	0.134	20%	0.2	C	C	.	.			trans	-73.2	129.5	166.7	-64.1	-89.6	0	0	0	110	C165 T166 R167 P242	C165-D209 PolarHBondContact SG-N 3.17Å; T166-D209 WeakPolarHBondContact CB-O 3.46Å; T166-D209 PolarHBondContact N-O 2.86Å; T166-D209 VanDerWaalsContact OG1-C 3.23Å; T166-D209 PolarHBondContact OG1-O 3.06Å; R167-D209 HydrophobicContact CB-CB 4.18Å; R167-D209 WeakPolarHBondContact CD-OD2 3.4Å; R167-D209 HydrophobicContact CG-CB 3.65Å; R167-D209 IonicContact CZ-OD1 3.53Å; R167-D209 VanDerWaalsContact CZ-OD1 3.24Å; R167-D209 IonicContact NE-OD1 2.8Å; R167-D209 PolarHBondContact NE-OD1 3.39Å; R167-D209 IonicContact NH1-OD1 2.65Å; R167-D209 PolarHBondContact NH1-OD1 2.84Å; R167-D209 IonicContact NH2-OD1 2.74Å; D209-P242 WeakPolarHBondContact OD1-CB 3.42Å
210	R	97.9	Very high	94.7	Very high	6 Å²	6	28.9 Å²	28.9	2%	0.023	17%	0.166	C	C	.	.			trans	-115.9	62.2	177.7	-67.5	-60.3	-58.7	-107.1	1.4	111.4	M161 P181 V208 D212 L213 G216	M161-R210 HydrophobicContact CB-CG 4.05Å; M161-R210 HydrophobicContact CE-CG 3.98Å; M161-R210 HydrophobicContact SD-CG 3.8Å; P181-R210 PolarHBondContact O-NH1 3.19Å; P181-R210 VanDerWaalsContact O-NH1 3.16Å; P181-R210 PolarHBondContact O-NH2 2.98Å; P181-R210 VanDerWaalsContact O-NH2 3.09Å; V208-R210 HydrophobicContact CG2-CG 4.19Å; R210-D212 VanDerWaalsContact C-OD1 3.3Å; R210-D212 VanDerWaalsContact CA-OD1 3.31Å; R210-D212 WeakPolarHBondContact CA-OD1 3.46Å; R210-D212 IonicContact CZ-OD1 3.84Å; R210-D212 IonicContact CZ-OD2 3.58Å; R210-D212 IonicContact NE-OD1 2.93Å; R210-D212 PolarHBondContact NE-OD1 3.15Å; R210-D212 IonicContact NE-OD2 3.35Å; R210-D212 PolarHBondContact NE-OD2 2.54Å; R210-D212 IonicContact NH2-OD1 3.28Å; R210-D212 IonicContact NH2-OD2 3.3Å; R210-D212 PolarHBondContact NH2-OD2 3.27Å; R210-D212 PolarHBondContact O-N 3.04Å; R210-L213 HydrophobicContact CB-CB 4.41Å; R210-L213 HydrophobicContact CB-CD1 3.77Å; R210-L213 HydrophobicContact CB-CG 4.05Å; R210-L213 HydrophobicContact CG-CD1 4.18Å; R210-L213 PolarHBondContact O-N 3.25Å; R210-G216 WeakPolarHBondContact O-CA 3.03Å
211	D	97.2	Very high	95.6	Very high	29 Å²	29	28.7 Å²	28.7	16%	0.155	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-11.3	178.9	-67.4	-34.2	0	0	0	112.9	T166 R167 L213 R245 R280	T166-D211 WeakPolarHBondContact OG1-CB 3.21Å; T166-D211 PolarHBondContact OG1-N 2.84Å; R167-D211 WeakPolarHBondContact CG-OD2 3.37Å; R167-D211 IonicContact CZ-OD1 3.96Å; R167-D211 IonicContact CZ-OD2 2.93Å; R167-D211 IonicContact NE-OD1 3.03Å; R167-D211 PolarHBondContact NE-OD1 3.45Å; R167-D211 IonicContact NE-OD2 3.8Å; R167-D211 PolarHBondContact NE-OD2 3.19Å; R167-D211 IonicContact NH2-OD1 2.8Å; R167-D211 PolarHBondContact NH2-OD1 3.31Å; R167-D211 IonicContact NH2-OD2 2.83Å; D211-L213 VanDerWaalsContact C-N 3.3Å; D211-R245 WeakPolarHBondContact OD1-CD 3.15Å; D211-R245 WeakPolarHBondContact OD1-CG 3.38Å; D211-R280 WeakPolarHBondContact OD2-CD 3.49Å; D211-R280 IonicContact OD2-CZ 2.68Å; D211-R280 IonicContact OD2-NE 3.66Å; D211-R280 IonicContact OD2-NH1 2.8Å; D211-R280 PolarHBondContact OD2-NH1 3.23Å
212	D	96.7	Very high	96.3	Very high	73 Å²	73	25.7 Å²	25.7	39%	0.39	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-16.4	171.3	64.4	-63.4	0	0	0	113.4	T166 R210	T166-D212 HydrophobicContact CG2-CB 4.41Å; T166-D212 WeakPolarHBondContact CG2-OD1 3.18Å; R210-D212 VanDerWaalsContact C-OD1 3.3Å; R210-D212 VanDerWaalsContact CA-OD1 3.31Å; R210-D212 WeakPolarHBondContact CA-OD1 3.46Å; R210-D212 IonicContact CZ-OD1 3.84Å; R210-D212 IonicContact CZ-OD2 3.58Å; R210-D212 IonicContact NE-OD1 2.93Å; R210-D212 PolarHBondContact NE-OD1 3.15Å; R210-D212 IonicContact NE-OD2 3.35Å; R210-D212 PolarHBondContact NE-OD2 2.54Å; R210-D212 IonicContact NH2-OD1 3.28Å; R210-D212 IonicContact NH2-OD2 3.3Å; R210-D212 PolarHBondContact NH2-OD2 3.27Å; R210-D212 PolarHBondContact O-N 3.04Å
213	L	97	Very high	96.8	Very high	50 Å²	50	29.3 Å²	29.3	26%	0.262	17%	0.165	S	C	.	.	S	Bend	trans	-102.6	140.2	178.7	-57.2	177.5	0	0	0	111.2	L183 R210 D211 D215 G216	L183-L213 HydrophobicContact CD1-CD1 3.33Å; L183-L213 HydrophobicContact CG-CD1 3.9Å; R210-L213 HydrophobicContact CB-CB 4.41Å; R210-L213 HydrophobicContact CB-CD1 3.77Å; R210-L213 HydrophobicContact CB-CG 4.05Å; R210-L213 HydrophobicContact CG-CD1 4.18Å; R210-L213 PolarHBondContact O-N 3.25Å; D211-L213 VanDerWaalsContact C-N 3.3Å; L213-D215 VanDerWaalsContact C-N 3.25Å; L213-D215 PolarHBondContact O-N 2.96Å; L213-G216 PolarHBondContact O-N 2.85Å
214	G	95.8	Very high	97.2	Very high	89 Å²	89	29.3 Å²	29.3	92%	0.918	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-27.3	-177.3	0	0	0	0	0	115.2
215	D	97.5	Very high	97.4	Very high	23 Å²	23	29.2 Å²	29.2	12%	0.123	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	11.9	176.1	69.8	-23	0	0	0	112.9	L213 G217 A218 R219 S250	L213-D215 VanDerWaalsContact C-N 3.25Å; L213-D215 PolarHBondContact O-N 2.96Å; D215-G217 PolarHBondContact O-N 3.19Å; D215-G217 PolarHBondContact OD1-N 3.27Å; D215-G217 VanDerWaalsContact OD1-N 3.16Å; D215-A218 HydrophobicContact CB-CB 4.43Å; D215-A218 VanDerWaalsContact O-CB 3.31Å; D215-A218 WeakPolarHBondContact O-CB 3.45Å; D215-A218 PolarHBondContact O-N 2.74Å; D215-R219 IonicContact OD1-NH2 3.08Å; D215-R219 VanDerWaalsContact OD2-CB 3.26Å; D215-R219 WeakPolarHBondContact OD2-CB 3.44Å; D215-R219 VanDerWaalsContact OD2-CG 3.26Å; D215-R219 WeakPolarHBondContact OD2-CG 3.48Å; D215-R219 IonicContact OD2-CZ 2.79Å; D215-R219 PolarHBondContact OD2-N 2.83Å; D215-R219 IonicContact OD2-NE 2.74Å; D215-R219 PolarHBondContact OD2-NE 2.82Å; D215-R219 IonicContact OD2-NH2 3.68Å; D215-R219 PolarHBondContact OD2-NH2 3.24Å; D215-S250 PolarHBondContact O-OG 3.31Å
216	G	97.5	Very high	97.5	Very high	10 Å²	10	34.8 Å²	34.8	10%	0.103	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	15.1	-176.5	0	0	0	0	0	114.9	R210 L213	R210-G216 WeakPolarHBondContact O-CA 3.03Å; L213-G216 PolarHBondContact O-N 2.85Å
217	G	97.9	Very high	97.6	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.01	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	6.5	-175.1	0	0	0	0	0	115.6	M161 D215 R219 H220 I221	M161-G217 VanDerWaalsContact SD-CA 3.55Å; D215-G217 PolarHBondContact O-N 3.19Å; D215-G217 PolarHBondContact OD1-N 3.27Å; D215-G217 VanDerWaalsContact OD1-N 3.16Å; G217-R219 VanDerWaalsContact C-N 3.33Å; G217-R219 PolarHBondContact O-N 2.97Å; G217-H220 WeakPolarHBondContact O-CA 3.44Å; G217-H220 VanDerWaalsContact O-CB 3.27Å; G217-H220 WeakPolarHBondContact O-CB 3.13Å; G217-H220 PolarHBondContact O-N 3.27Å; G217-I221 PolarHBondContact O-N 2.94Å; G217-I221 VanDerWaalsContact O-N 3.1Å
218	A	98.5	Very high	97.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-56.6	-40	-177.4	0	0	0	0	0	114.2	D215 H220 I221 A222 F244 S250 T253 V254	D215-A218 HydrophobicContact CB-CB 4.43Å; D215-A218 VanDerWaalsContact O-CB 3.31Å; D215-A218 WeakPolarHBondContact O-CB 3.45Å; D215-A218 PolarHBondContact O-N 2.74Å; A218-H220 VanDerWaalsContact C-N 3.28Å; A218-H220 PolarHBondContact O-N 3.39Å; A218-I221 PolarHBondContact O-N 3.44Å; A218-A222 WeakPolarHBondContact O-CB 3.49Å; A218-A222 PolarHBondContact O-N 2.87Å; A218-F244 HydrophobicContact CB-CD1 4.21Å; A218-F244 HydrophobicContact CB-CE1 3.86Å; A218-F244 HydrophobicContact CB-CZ 4.25Å; A218-S250 WeakPolarHBondContact CB-O 3.47Å; A218-T253 HydrophobicContact CB-CG2 4.32Å; A218-V254 HydrophobicContact CB-CG2 4.1Å
219	R	98.4	Very high	97.5	Very high	164 Å²	164	37.6 Å²	37.6	62%	0.619	20%	0.195	S	C	*	.	H	α-helix	trans	-66.1	-32.3	175.3	-73.7	175.2	-66.1	-150.7	1	112.6	D215 G217 A222 K223 T253	D215-R219 IonicContact OD1-NH2 3.08Å; D215-R219 VanDerWaalsContact OD2-CB 3.26Å; D215-R219 WeakPolarHBondContact OD2-CB 3.44Å; D215-R219 VanDerWaalsContact OD2-CG 3.26Å; D215-R219 WeakPolarHBondContact OD2-CG 3.48Å; D215-R219 IonicContact OD2-CZ 2.79Å; D215-R219 PolarHBondContact OD2-N 2.83Å; D215-R219 IonicContact OD2-NE 2.74Å; D215-R219 PolarHBondContact OD2-NE 2.82Å; D215-R219 IonicContact OD2-NH2 3.68Å; D215-R219 PolarHBondContact OD2-NH2 3.24Å; G217-R219 VanDerWaalsContact C-N 3.33Å; G217-R219 PolarHBondContact O-N 2.97Å; R219-A222 PolarHBondContact O-N 2.85Å; R219-K223 WeakPolarHBondContact O-CB 3.16Å; R219-K223 PolarHBondContact O-N 3.46Å; R219-T253 HydrophobicContact CG-CG2 3.95Å
220	H	98.4	Very high	97.4	Very high	19 Å²	19	41.7 Å²	41.7	9%	0.088	22%	0.22	C	C	.	.	H	α-helix	trans	-66.8	-49.4	177.7	-160.3	93.6	0	0	0	110.3	M161 L183 D184 E187 P188 G217 A218 A222 K223 T224	M161-H220 HydrophobicContact SD-CB 4.13Å; L183-H220 HydrophobicContact CD1-CB 4.05Å; D184-H220 PolarHBondContact O-CE1 3.28Å; D184-H220 VanDerWaalsContact O-CE1 3.27Å; E187-H220 IonicContact OE2-CD2 3.36Å; E187-H220 IonicContact OE2-CE1 3.42Å; E187-H220 IonicContact OE2-NE2 2.75Å; E187-H220 PolarHBondContact OE2-NE2 2.66Å; P188-H220 VanDerWaalsContact CD-CE1 3.46Å; P188-H220 WeakPolarHBondContact CD-CE1 3.28Å; P188-H220 WeakPolarHBondContact CD-NE2 3.48Å; P188-H220 VanDerWaalsContact CG-NE2 3.32Å; P188-H220 WeakPolarHBondContact CG-NE2 3.35Å; G217-H220 WeakPolarHBondContact O-CA 3.44Å; G217-H220 VanDerWaalsContact O-CB 3.27Å; G217-H220 WeakPolarHBondContact O-CB 3.13Å; G217-H220 PolarHBondContact O-N 3.27Å; A218-H220 VanDerWaalsContact C-N 3.28Å; A218-H220 PolarHBondContact O-N 3.39Å; H220-A222 VanDerWaalsContact C-N 3.34Å; H220-A222 PolarHBondContact O-N 2.9Å; H220-K223 PolarHBondContact O-N 3.16Å; H220-T224 PolarHBondContact O-N 3.09Å; H220-T224 PolarHBondContact O-OG1 2.95Å; H220-T224 VanDerWaalsContact O-OG1 3.11Å
221	I	98.4	Very high	97.3	Very high	2 Å²	2	46 Å²	46	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-53.5	-50.1	172	-68.5	160.8	0	0	0	110.9	I160 M161 G217 A218 K223 T224 I225 C239 V241 F244 V254	I160-I221 HydrophobicContact CD1-CB 4.3Å; I160-I221 HydrophobicContact CD1-CG1 3.69Å; M161-I221 HydrophobicContact CE-CD1 4.06Å; M161-I221 HydrophobicContact CE-CG1 4.28Å; G217-I221 PolarHBondContact O-N 2.94Å; G217-I221 VanDerWaalsContact O-N 3.1Å; A218-I221 PolarHBondContact O-N 3.44Å; I221-K223 PolarHBondContact O-N 3.34Å; I221-T224 WeakPolarHBondContact O-CB 3.39Å; I221-T224 PolarHBondContact O-N 2.69Å; I221-I225 HydrophobicContact CG2-CD1 3.88Å; I221-I225 WeakPolarHBondContact O-CG1 3.34Å; I221-I225 PolarHBondContact O-N 3.09Å; I221-C239 WeakPolarHBondContact CG2-SG 3.47Å; I221-V241 HydrophobicContact CD1-CG1 4.22Å; I221-V241 HydrophobicContact CG2-CG1 4.44Å; I221-F244 HydrophobicContact CD1-CE1 3.96Å; I221-F244 HydrophobicContact CD1-CZ 3.84Å; I221-V254 HydrophobicContact CB-CG2 4.21Å; I221-V254 HydrophobicContact CG2-CG1 3.93Å; I221-V254 HydrophobicContact CG2-CG2 3.87Å
222	A	98.4	Very high	97	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-40	180	0	0	0	0	0	112.9	A218 R219 H220 R226 T253 A257	A218-A222 WeakPolarHBondContact O-CB 3.49Å; A218-A222 PolarHBondContact O-N 2.87Å; R219-A222 PolarHBondContact O-N 2.85Å; H220-A222 VanDerWaalsContact C-N 3.34Å; H220-A222 PolarHBondContact O-N 2.9Å; A222-R226 WeakPolarHBondContact O-CG 3.19Å; A222-R226 PolarHBondContact O-N 2.92Å; A222-R226 VanDerWaalsContact O-N 3.13Å; A222-T253 HydrophobicContact CB-CG2 3.93Å; A222-A257 HydrophobicContact CB-CB 3.77Å
223	K	98.3	Very high	96.8	Very high	85 Å²	85	47.5 Å²	47.5	37%	0.37	25%	0.248	S	C	.	.	H	α-helix	trans	-62.9	-44.2	174.9	-173.3	177.9	170.2	-163.5	0	110.3	P185 P188 R219 H220 I221 R226 Q227	P185-K223 PolarHBondContact O-NZ 2.88Å; P188-K223 HydrophobicContact CB-CB 4.25Å; P188-K223 HydrophobicContact CB-CD 4.12Å; P188-K223 HydrophobicContact CB-CG 3.82Å; P188-K223 HydrophobicContact CG-CB 4.27Å; P188-K223 HydrophobicContact CG-CD 3.96Å; P188-K223 HydrophobicContact CG-CG 4.08Å; R219-K223 WeakPolarHBondContact O-CB 3.16Å; R219-K223 PolarHBondContact O-N 3.46Å; H220-K223 PolarHBondContact O-N 3.16Å; I221-K223 PolarHBondContact O-N 3.34Å; K223-R226 PolarHBondContact O-N 2.94Å; K223-Q227 HydrophobicContact CG-CG 4.41Å; K223-Q227 WeakPolarHBondContact O-CB 3.09Å; K223-Q227 VanDerWaalsContact O-CG 3.26Å; K223-Q227 WeakPolarHBondContact O-CG 3.49Å; K223-Q227 PolarHBondContact O-N 3.19Å
224	T	98.1	Very high	96.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.4	-48.2	177.6	-58.1	0	0	0	0	111.8	I160 P188 T191 H220 I221 R226 Q227 I228	I160-T224 HydrophobicContact CG2-CG2 4.38Å; P188-T224 WeakPolarHBondContact CA-OG1 3.25Å; P188-T224 WeakPolarHBondContact CB-OG1 3.4Å; P188-T224 WeakPolarHBondContact CG-OG1 3.43Å; T191-T224 HydrophobicContact CG2-CG2 3.7Å; H220-T224 PolarHBondContact O-N 3.09Å; H220-T224 PolarHBondContact O-OG1 2.95Å; H220-T224 VanDerWaalsContact O-OG1 3.11Å; I221-T224 WeakPolarHBondContact O-CB 3.39Å; I221-T224 PolarHBondContact O-N 2.69Å; T224-R226 VanDerWaalsContact C-N 3.33Å; T224-R226 PolarHBondContact O-N 2.74Å; T224-Q227 PolarHBondContact O-N 3.16Å; T224-I228 HydrophobicContact CG2-CD1 3.8Å; T224-I228 HydrophobicContact CG2-CG1 4.47Å; T224-I228 VanDerWaalsContact O-CG1 3.27Å; T224-I228 WeakPolarHBondContact O-CG1 3.29Å; T224-I228 PolarHBondContact O-N 2.8Å
225	I	97.4	Very high	96.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.1	-47.6	177.6	-64.2	163.2	0	0	0	110.7	I221 Q227 I228 K229 V237 C239 V254 A257 P259	I221-I225 HydrophobicContact CG2-CD1 3.88Å; I221-I225 WeakPolarHBondContact O-CG1 3.34Å; I221-I225 PolarHBondContact O-N 3.09Å; I225-Q227 PolarHBondContact O-N 3.09Å; I225-I228 PolarHBondContact O-N 2.64Å; I225-K229 HydrophobicContact CG2-CD 4.2Å; I225-K229 WeakPolarHBondContact O-CG 3.41Å; I225-K229 PolarHBondContact O-N 3.34Å; I225-V237 HydrophobicContact CG1-CG1 4.12Å; I225-V237 HydrophobicContact CG2-CG1 4.41Å; I225-C239 HydrophobicContact CD1-CB 4.3Å; I225-V254 HydrophobicContact CD1-CG1 4.13Å; I225-A257 HydrophobicContact CB-CB 4.03Å; 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 3.39Å; I225-P259 HydrophobicContact CD1-CB 4.15Å; I225-P259 HydrophobicContact CD1-CG 4.32Å
226	R	97.6	Very high	95.9	Very high	118 Å²	118	44.2 Å²	44.2	45%	0.445	22%	0.217	S	C	.	.	H	α-helix	trans	-62.3	-44.5	179.1	-70.2	172.3	-174.5	156.8	5.7	112.1	A222 K223 T224 I228 K229 V230 A257	A222-R226 WeakPolarHBondContact O-CG 3.19Å; A222-R226 PolarHBondContact O-N 2.92Å; A222-R226 VanDerWaalsContact O-N 3.13Å; K223-R226 PolarHBondContact O-N 2.94Å; T224-R226 VanDerWaalsContact C-N 3.33Å; T224-R226 PolarHBondContact O-N 2.74Å; R226-I228 VanDerWaalsContact C-N 3.31Å; R226-I228 PolarHBondContact O-N 3.34Å; R226-K229 PolarHBondContact O-N 3.42Å; R226-V230 VanDerWaalsContact O-CG2 3.26Å; R226-V230 WeakPolarHBondContact O-CG2 3.49Å; R226-V230 PolarHBondContact O-N 3.03Å; R226-A257 HydrophobicContact CG-CB 4.5Å
227	Q	97.7	Very high	95.7	Very high	51 Å²	51	43.7 Å²	43.7	24%	0.238	21%	0.212	C	C	.	.	H	α-helix	trans	-63.1	-38.2	179	-70.9	-63.5	-37	0	0	112.2	P188 V189 A192 K223 T224 I225 R231	P188-Q227 HydrophobicContact CB-CG 4.33Å; P188-Q227 WeakPolarHBondContact O-CB 3.38Å; V189-Q227 HydrophobicContact CG2-CG 4.42Å; A192-Q227 HydrophobicContact CB-CB 3.62Å; A192-Q227 WeakPolarHBondContact CB-O 3.41Å; K223-Q227 HydrophobicContact CG-CG 4.41Å; K223-Q227 WeakPolarHBondContact O-CB 3.09Å; K223-Q227 VanDerWaalsContact O-CG 3.26Å; K223-Q227 WeakPolarHBondContact O-CG 3.49Å; K223-Q227 PolarHBondContact O-N 3.19Å; T224-Q227 PolarHBondContact O-N 3.16Å; I225-Q227 PolarHBondContact O-N 3.09Å; Q227-R231 PolarHBondContact O-N 3.36Å; Q227-R231 PolarHBondContact O-NH1 3.36Å
228	I	96.3	Very high	95.6	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-52.5	174.5	-69.7	164.6	0	0	0	110	T191 A192 I195 I205 T224 I225 R226 V230 R231 K232 I235 V237	T191-I228 HydrophobicContact CG2-CD1 4.39Å; A192-I228 HydrophobicContact CB-CG1 3.95Å; I195-I228 HydrophobicContact CD1-CD1 3.41Å; I195-I228 VanDerWaalsContact CD1-CD1 3.41Å; I195-I228 HydrophobicContact CD1-CG1 3.65Å; I195-I228 HydrophobicContact CG2-CG2 4.42Å; I205-I228 HydrophobicContact CD1-CD1 3.84Å; I205-I228 HydrophobicContact CG1-CD1 3.98Å; T224-I228 HydrophobicContact CG2-CD1 3.8Å; T224-I228 HydrophobicContact CG2-CG1 4.47Å; T224-I228 VanDerWaalsContact O-CG1 3.27Å; T224-I228 WeakPolarHBondContact O-CG1 3.29Å; T224-I228 PolarHBondContact O-N 2.8Å; I225-I228 PolarHBondContact O-N 2.64Å; R226-I228 VanDerWaalsContact C-N 3.31Å; R226-I228 PolarHBondContact O-N 3.34Å; I228-V230 VanDerWaalsContact C-N 3.3Å; I228-V230 PolarHBondContact O-N 2.92Å; I228-R231 PolarHBondContact O-N 3Å; I228-K232 PolarHBondContact O-N 3.35Å; I228-I235 HydrophobicContact CG2-CG2 3.51Å; I228-V237 HydrophobicContact CG2-CG2 3.97Å
229	K	94.5	Very high	95.4	Very high	43 Å²	43	43.8 Å²	43.8	19%	0.187	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-33.2	-177	-72.3	-170.4	169.2	-145.1	0	113.3	I225 R226 R231 K232 P233 V237 S258 E260	I225-K229 HydrophobicContact CG2-CD 4.2Å; I225-K229 WeakPolarHBondContact O-CG 3.41Å; I225-K229 PolarHBondContact O-N 3.34Å; R226-K229 PolarHBondContact O-N 3.42Å; K229-R231 VanDerWaalsContact C-N 3.34Å; K229-K232 CarbonylContact O-C 3.57Å; K229-P233 VanDerWaalsContact O-CA 3.25Å; K229-P233 WeakPolarHBondContact O-CA 3.45Å; K229-P233 WeakPolarHBondContact O-CD 3.29Å; K229-P233 WeakPolarHBondContact O-CG 3.44Å; K229-V237 HydrophobicContact CG-CG2 4.4Å; K229-S258 WeakPolarHBondContact CE-O 3.28Å; K229-S258 PolarHBondContact NZ-O 3.44Å; K229-E260 WeakPolarHBondContact CE-OE2 3.45Å; K229-E260 IonicContact NZ-OE1 2.83Å; K229-E260 PolarHBondContact NZ-OE1 2.91Å; K229-E260 IonicContact NZ-OE2 3.44Å; K229-E260 PolarHBondContact NZ-OE2 2.92Å
230	V	95.8	Very high	95.4	Very high	110 Å²	110	37 Å²	37	67%	0.667	19%	0.188	S	C	*	.	H	α-helix	trans	-63.3	-39.9	173	167.5	0	0	0	0	111.6	R226 I228	R226-V230 VanDerWaalsContact O-CG2 3.26Å; R226-V230 WeakPolarHBondContact O-CG2 3.49Å; R226-V230 PolarHBondContact O-N 3.03Å; I228-V230 VanDerWaalsContact C-N 3.3Å; I228-V230 PolarHBondContact O-N 2.92Å
231	R	94.8	Very high	95.3	Very high	96 Å²	96	36.4 Å²	36.4	36%	0.362	19%	0.186	S	C	.	.	H	α-helix	trans	-84.3	-31.3	-177.9	-72.2	179.1	178.2	66.4	2.8	113.7	Q227 I228 K229	Q227-R231 PolarHBondContact O-N 3.36Å; Q227-R231 PolarHBondContact O-NH1 3.36Å; I228-R231 PolarHBondContact O-N 3Å; K229-R231 VanDerWaalsContact C-N 3.34Å
232	K	92.7	Very high	95.3	Very high	32 Å²	32	36.8 Å²	36.8	14%	0.139	19%	0.189	C	C	.	.			trans	-140.1	78.1	-179.3	-162.9	171.3	-175.9	175.5	0	110.5	W198 V200 I228 K229 S234 I235	W198-K232 PolarHBondContact O-NZ 2.95Å; V200-K232 WeakPolarHBondContact O-CE 3.16Å; V200-K232 PolarHBondContact O-NZ 3.48Å; I228-K232 PolarHBondContact O-N 3.35Å; K229-K232 CarbonylContact O-C 3.57Å; K232-S234 PolarHBondContact O-N 2.93Å; 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 4.08Å; K232-I235 HydrophobicContact CD-CD1 4.24Å; K232-I235 HydrophobicContact CD-CG1 4.46Å; K232-I235 HydrophobicContact CG-CB 3.99Å; K232-I235 HydrophobicContact CG-CG2 4.49Å; K232-I235 WeakPolarHBondContact O-CG2 3.27Å; K232-I235 PolarHBondContact O-N 3.32Å; K232-I235 VanDerWaalsContact O-N 3.07Å
233	P	92.2	Very high	95.3	Very high	102 Å²	102	36.8 Å²	36.8	66%	0.662	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.4	-174.1	-25.2	33.7	0	0	0	115.2	K229	K229-P233 VanDerWaalsContact O-CA 3.25Å; K229-P233 WeakPolarHBondContact O-CA 3.45Å; K229-P233 WeakPolarHBondContact O-CD 3.29Å; K229-P233 WeakPolarHBondContact O-CG 3.44Å
234	S	89	Confident	95.2	Very high	89 Å²	89	33.1 Å²	33.1	62%	0.622	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-12.7	179.1	57.6	0	0	0	0	114.3	K232	K232-S234 PolarHBondContact O-N 2.93Å; K232-S234 VanDerWaalsContact O-N 3.11Å
235	I	89.7	Confident	95.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.202	C	C	.	.			trans	-71.6	139.8	-176.8	-158	177.1	0	0	0	111	I195 V200 D201 I203 I228 K232 V237	I195-I235 HydrophobicContact CG2-CD1 3.36Å; V200-I235 HydrophobicContact CG2-CD1 4.17Å; D201-I235 WeakPolarHBondContact O-CG1 3.21Å; I203-I235 HydrophobicContact CB-CD1 3.85Å; I203-I235 HydrophobicContact CG2-CD1 3.63Å; I203-I235 HydrophobicContact CG2-CG1 4.27Å; I228-I235 HydrophobicContact CG2-CG2 3.51Å; K232-I235 HydrophobicContact CB-CB 4.26Å; K232-I235 HydrophobicContact CB-CG2 4.22Å; K232-I235 HydrophobicContact CD-CB 4.08Å; K232-I235 HydrophobicContact CD-CD1 4.24Å; K232-I235 HydrophobicContact CD-CG1 4.46Å; K232-I235 HydrophobicContact CG-CB 3.99Å; K232-I235 HydrophobicContact CG-CG2 4.49Å; K232-I235 WeakPolarHBondContact O-CG2 3.27Å; K232-I235 PolarHBondContact O-N 3.32Å; K232-I235 VanDerWaalsContact O-N 3.07Å; I235-V237 HydrophobicContact CG2-CG2 3.99Å
236	I	91.5	Very high	95	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	126.7	171.1	-66.4	170.6	0	0	0	108.6	D201 Y202 I203 E260 K399 I402	D201-I236 PolarHBondContact O-N 2.86Å; Y202-I236 HydrophobicContact CD2-CB 3.7Å; Y202-I236 HydrophobicContact CD2-CD1 4.3Å; Y202-I236 HydrophobicContact CD2-CG2 3.44Å; Y202-I236 VanDerWaalsContact CD2-CG2 3.44Å; Y202-I236 HydrophobicContact CE2-CB 4.11Å; Y202-I236 HydrophobicContact CE2-CG2 3.3Å; Y202-I236 HydrophobicContact CG-CB 4.35Å; Y202-I236 HydrophobicContact CG-CG2 4.31Å; I203-I236 PolarHBondContact N-O 3.36Å; I236-E260 HydrophobicContact CB-CG 4.47Å; I236-E260 HydrophobicContact CG1-CG 4.4Å; I236-E260 HydrophobicContact CG2-CB 3.72Å; I236-E260 HydrophobicContact CG2-CG 4Å; I236-K399 HydrophobicContact CD1-CB 3.62Å; I236-K399 HydrophobicContact CD1-CD 4.19Å; I236-K399 HydrophobicContact CD1-CG 3.59Å; I236-I402 HydrophobicContact CD1-CD1 3.97Å; I236-I402 HydrophobicContact CG1-CD1 4.22Å; I236-I402 HydrophobicContact CG2-CD1 3.62Å
237	V	93.9	Very high	95	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	113.6	178.6	-173.9	0	0	0	0	110.2	I203 I205 I225 I228 K229 I235 E260 V261	I203-V237 HydrophobicContact CG2-CB 4.46Å; I203-V237 HydrophobicContact CG2-CG1 4.38Å; I203-V237 HydrophobicContact CG2-CG2 4.07Å; I205-V237 HydrophobicContact CG1-CG1 4.25Å; I225-V237 HydrophobicContact CG1-CG1 4.12Å; I225-V237 HydrophobicContact CG2-CG1 4.41Å; I228-V237 HydrophobicContact CG2-CG2 3.97Å; K229-V237 HydrophobicContact CG-CG2 4.4Å; I235-V237 HydrophobicContact CG2-CG2 3.99Å; V237-E260 PolarHBondContact N-OE2 3.49Å; V237-E260 PolarHBondContact O-N 3.47Å; V237-V261 PolarHBondContact O-N 2.93Å
238	E	95.3	Very high	95	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128.8	163.9	174.2	170.1	133.9	0	0	109.6	Y202 I203 V204 I205 V261 A263 K313	Y202-E238 HydrophobicContact CE1-CB 3.74Å; Y202-E238 WeakPolarHBondContact OH-CB 2.84Å; Y202-E238 PolarHBondContact OH-OE2 2.8Å; I203-E238 PolarHBondContact O-N 2.91Å; V204-E238 CarbonylContact C-O 3.55Å; V204-E238 WeakPolarHBondContact CA-O 3.24Å; V204-E238 HydrophobicContact CG1-CG 4.29Å; V204-E238 HydrophobicContact CG2-CB 4.17Å; V204-E238 HydrophobicContact CG2-CG 4.4Å; I205-E238 PolarHBondContact N-O 3.06Å; E238-V261 WeakPolarHBondContact CA-O 3.22Å; E238-V261 HydrophobicContact CB-CB 3.8Å; E238-V261 HydrophobicContact CB-CG1 4.41Å; E238-V261 HydrophobicContact CB-CG2 4.3Å; E238-V261 HydrophobicContact CG-CB 3.78Å; E238-V261 HydrophobicContact CG-CG1 3.84Å; E238-A263 HydrophobicContact CG-CB 4.36Å; E238-K313 IonicContact OE1-NZ 2.94Å; E238-K313 PolarHBondContact OE1-NZ 2.98Å; E238-K313 WeakPolarHBondContact OE2-CD 3.06Å; E238-K313 IonicContact OE2-NZ 3.51Å; E238-K313 PolarHBondContact OE2-NZ 3.49Å
239	C	95.9	Very high	95	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.007	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	107.8	177.7	-161.2	0	0	0	0	110.2	I205 I221 I225 V241 P259 V261 A263	I205-C239 CarbonylContact O-C 3.59Å; I205-C239 WeakPolarHBondContact O-CA 3.32Å; I221-C239 WeakPolarHBondContact CG2-SG 3.47Å; I225-C239 HydrophobicContact CD1-CB 4.3Å; C239-V241 HydrophobicContact CB-CG1 4.18Å; C239-V241 WeakPolarHBondContact SG-CG1 3.4Å; C239-P259 HydrophobicContact CB-CB 4.21Å; C239-V261 PolarHBondContact N-O 3.02Å; C239-A263 PolarHBondContact O-N 3.06Å
240	L	97	Very high	95.2	Very high	21 Å²	21	42.8 Å²	42.8	11%	0.11	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	99.4	172.5	175.3	60.1	0	0	0	109.8	V204 I205 T206 A263 S389	V204-L240 HydrophobicContact CG1-CB 4.45Å; I205-L240 PolarHBondContact O-N 3Å; T206-L240 VanDerWaalsContact CA-O 3.28Å; T206-L240 WeakPolarHBondContact CA-O 3.38Å; T206-L240 WeakPolarHBondContact CB-O 3.41Å; T206-L240 PolarHBondContact OG1-O 3.13Å; L240-A263 CarbonylContact C-O 3.51Å; L240-A263 WeakPolarHBondContact CA-O 3.31Å; L240-A263 HydrophobicContact CB-CB 4.21Å; L240-A263 HydrophobicContact CD1-CB 3.89Å; L240-S389 WeakPolarHBondContact CD2-OG 3.5Å
241	V	97.6	Very high	95.3	Very high	8 Å²	8	37.7 Å²	37.7	5%	0.048	21%	0.207	C	C	.	.			trans	-103.7	157.8	-167.6	-63	0	0	0	0	114.3	I221 C239 F244 V254 Y262 A263 H264	I221-V241 HydrophobicContact CD1-CG1 4.22Å; I221-V241 HydrophobicContact CG2-CG1 4.44Å; C239-V241 HydrophobicContact CB-CG1 4.18Å; C239-V241 WeakPolarHBondContact SG-CG1 3.4Å; V241-F244 HydrophobicContact CB-CE2 3.84Å; V241-F244 HydrophobicContact CB-CZ 3.78Å; V241-F244 HydrophobicContact CG1-CE2 4.4Å; V241-F244 HydrophobicContact CG1-CZ 4.13Å; V241-F244 HydrophobicContact CG2-CE2 3.89Å; V241-F244 HydrophobicContact CG2-CZ 4.35Å; V241-V254 HydrophobicContact CG1-CG1 4.17Å; V241-Y262 HydrophobicContact CG2-CD1 4.45Å; V241-Y262 HydrophobicContact CG2-CE1 3.72Å; V241-Y262 HydrophobicContact CG2-CE2 3.79Å; V241-Y262 WeakPolarHBondContact CG2-OH 3.27Å; V241-A263 WeakPolarHBondContact CG2-O 3.34Å; V241-A263 PolarHBondContact N-O 3.44Å; V241-H264 HydrophobicContact CG2-CB 4.46Å; V241-H264 PolarHBondContact O-ND1 2.74Å
242	P	97.6	Very high	95.5	Very high	10 Å²	10	35.6 Å²	35.6	7%	0.065	20%	0.201	C	C	.	.			trans	-56.5	169.5	161.9	-26.2	37.2	0	0	0	112.9	S207 D209 F244	S207-P242 VanDerWaalsContact OG-CD 3.26Å; S207-P242 WeakPolarHBondContact OG-CD 3.21Å; S207-P242 WeakPolarHBondContact OG-CG 3.32Å; D209-P242 WeakPolarHBondContact OD1-CB 3.42Å; P242-F244 HydrophobicContact CB-CD1 4.39Å; P242-F244 HydrophobicContact CB-CE1 4.36Å; P242-F244 HydrophobicContact CG-CE1 4.41Å; P242-F244 WeakPolarHBondContact O-CD2 3.44Å; P242-F244 WeakPolarHBondContact O-CE2 3.42Å; P242-F244 PolarHBondContact O-N 3.33Å
243	D	97.5	Very high	95.7	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	21%	0.206	C	C	.	.			trans	-79.5	-4.7	172.2	61.7	20.8	0	0	0	113.7	R167 R245 G246 H264 Q285	R167-D243 IonicContact CZ-OD1 3.66Å; R167-D243 VanDerWaalsContact CZ-OD1 3.28Å; R167-D243 IonicContact CZ-OD2 2.8Å; R167-D243 IonicContact NH1-OD1 2.68Å; R167-D243 PolarHBondContact NH1-OD1 3.44Å; R167-D243 IonicContact NH1-OD2 3.42Å; R167-D243 PolarHBondContact NH1-OD2 2.7Å; R167-D243 IonicContact NH2-OD1 2.65Å; R167-D243 PolarHBondContact NH2-OD1 3.16Å; R167-D243 IonicContact NH2-OD2 3.64Å; D243-R245 PolarHBondContact O-N 3.07Å; D243-R245 PolarHBondContact OD1-N 2.88Å; D243-G246 PolarHBondContact O-N 3.29Å; D243-H264 PolarHBondContact N-CE1 3.13Å; D243-Q285 HydrophobicContact CB-CG 4.34Å; D243-Q285 PolarHBondContact OD2-NE2 3.25Å
244	F	97.7	Very high	96	Very high	8 Å²	8	31 Å²	31	4%	0.035	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	49.1	29.1	-174.4	-52.4	-69.2	0	0	0	114	A218 I221 V241 P242 G246 C247 I251 V254	A218-F244 HydrophobicContact CB-CD1 4.21Å; A218-F244 HydrophobicContact CB-CE1 3.86Å; A218-F244 HydrophobicContact CB-CZ 4.25Å; I221-F244 HydrophobicContact CD1-CE1 3.96Å; I221-F244 HydrophobicContact CD1-CZ 3.84Å; V241-F244 HydrophobicContact CB-CE2 3.84Å; V241-F244 HydrophobicContact CB-CZ 3.78Å; V241-F244 HydrophobicContact CG1-CE2 4.4Å; V241-F244 HydrophobicContact CG1-CZ 4.13Å; V241-F244 HydrophobicContact CG2-CE2 3.89Å; V241-F244 HydrophobicContact CG2-CZ 4.35Å; P242-F244 HydrophobicContact CB-CD1 4.39Å; P242-F244 HydrophobicContact CB-CE1 4.36Å; P242-F244 HydrophobicContact CG-CE1 4.41Å; P242-F244 WeakPolarHBondContact O-CD2 3.44Å; P242-F244 WeakPolarHBondContact O-CE2 3.42Å; P242-F244 PolarHBondContact O-N 3.33Å; F244-G246 PolarHBondContact O-N 3.17Å; F244-G246 VanDerWaalsContact O-N 3.15Å; F244-C247 HydrophobicContact CB-CB 4.23Å; F244-C247 WeakPolarHBondContact O-CB 3.31Å; F244-C247 PolarHBondContact O-N 3.45Å; F244-I251 HydrophobicContact CD2-CG1 3.92Å; F244-V254 HydrophobicContact CE2-CG2 4.27Å; F244-V254 HydrophobicContact CZ-CG2 3.9Å
245	R	95.5	Very high	96.4	Very high	162 Å²	162	26.9 Å²	26.9	61%	0.611	15%	0.145	S	C	*	.	G	3₁₀ helix	trans	54.9	27.7	-173	-56.7	173.7	61.4	173.7	-1.2	113.2	R167 D211 D243 C247	R167-R245 VanDerWaalsContact NH2-CG 3.26Å; D211-R245 WeakPolarHBondContact OD1-CD 3.15Å; D211-R245 WeakPolarHBondContact OD1-CG 3.38Å; D243-R245 PolarHBondContact O-N 3.07Å; D243-R245 PolarHBondContact OD1-N 2.88Å; R245-C247 VanDerWaalsContact C-N 3.33Å
246	G	95.3	Very high	96.8	Very high	34 Å²	34	33.1 Å²	33.1	35%	0.351	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	76.5	13.8	-175.1	0	0	0	0	0	114.7	D243 F244 T248	D243-G246 PolarHBondContact O-N 3.29Å; F244-G246 PolarHBondContact O-N 3.17Å; F244-G246 VanDerWaalsContact O-N 3.15Å; G246-T248 PolarHBondContact O-N 3.43Å; G246-T248 VanDerWaalsContact O-N 3.14Å
247	C	97.2	Very high	97.1	Very high	47 Å²	47	33.2 Å²	33.2	32%	0.318	17%	0.17	S	C	.	.			trans	-70.1	106.9	177.4	-178.7	0	0	0	0	111	F244 R245 D249 S250 I251	F244-C247 HydrophobicContact CB-CB 4.23Å; F244-C247 WeakPolarHBondContact O-CB 3.31Å; F244-C247 PolarHBondContact O-N 3.45Å; R245-C247 VanDerWaalsContact C-N 3.33Å; C247-D249 VanDerWaalsContact C-N 3.31Å; C247-D249 PolarHBondContact O-N 2.8Å; C247-S250 WeakPolarHBondContact O-CB 3.45Å; C247-S250 PolarHBondContact O-N 3.42Å; C247-S250 PolarHBondContact SG-OG 3.16Å; C247-I251 WeakPolarHBondContact O-CG1 3.38Å; C247-I251 PolarHBondContact O-N 3.09Å; C247-I251 VanDerWaalsContact O-N 3.15Å
248	T	97.3	Very high	97.1	Very high	60 Å²	60	34.8 Å²	34.8	37%	0.368	18%	0.181	S	C	.	.	H	α-helix	trans	-66	-31	-177.9	54.6	0	0	0	0	113.2	G246 I251 H252 T292	G246-T248 PolarHBondContact O-N 3.43Å; G246-T248 VanDerWaalsContact O-N 3.14Å; T248-I251 PolarHBondContact O-N 2.8Å; T248-H252 WeakPolarHBondContact O-CB 3.44Å; T248-H252 PolarHBondContact O-N 2.99Å; T248-T292 HydrophobicContact CG2-CG2 4.05Å
249	D	98.1	Very high	97.1	Very high	109 Å²	109	34.8 Å²	34.8	58%	0.583	18%	0.181	S	C	*	.	H	α-helix	trans	-67.9	-35.7	175	-68.3	-27.1	0	0	0	112.3	C247 H252 T253	C247-D249 VanDerWaalsContact C-N 3.31Å; C247-D249 PolarHBondContact O-N 2.8Å; D249-H252 PolarHBondContact O-N 3.15Å; D249-T253 WeakPolarHBondContact O-CB 3.36Å; D249-T253 PolarHBondContact O-N 2.8Å; D249-T253 PolarHBondContact O-OG1 2.73Å
250	S	98.4	Very high	97	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.028	18%	0.181	C	C	.	.	H	α-helix	trans	-66.9	-44	174.6	-64.2	0	0	0	0	110.7	D215 A218 C247 H252 T253 V254	D215-S250 PolarHBondContact O-OG 3.31Å; A218-S250 WeakPolarHBondContact CB-O 3.47Å; C247-S250 WeakPolarHBondContact O-CB 3.45Å; C247-S250 PolarHBondContact O-N 3.42Å; C247-S250 PolarHBondContact SG-OG 3.16Å; S250-H252 PolarHBondContact O-N 3.21Å; S250-T253 WeakPolarHBondContact O-CB 3.48Å; S250-T253 PolarHBondContact O-N 2.92Å; S250-V254 PolarHBondContact O-N 2.71Å
251	I	98.2	Very high	96.9	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-58.2	-50	172.8	-63.4	165.6	0	0	0	110.3	F244 C247 T248 T253 V254 V255 Y262 T292 A293	F244-I251 HydrophobicContact CD2-CG1 3.92Å; C247-I251 WeakPolarHBondContact O-CG1 3.38Å; C247-I251 PolarHBondContact O-N 3.09Å; C247-I251 VanDerWaalsContact O-N 3.15Å; T248-I251 PolarHBondContact O-N 2.8Å; I251-T253 VanDerWaalsContact C-N 3.3Å; I251-T253 PolarHBondContact O-N 2.68Å; I251-V254 PolarHBondContact O-N 2.83Å; I251-V255 HydrophobicContact CG2-CG2 4.29Å; I251-V255 WeakPolarHBondContact O-CG2 3.49Å; I251-V255 PolarHBondContact O-N 3.49Å; I251-Y262 HydrophobicContact CG2-CE2 4.37Å; I251-T292 HydrophobicContact CB-CG2 4.27Å; I251-T292 HydrophobicContact CD1-CG2 4.1Å; I251-T292 HydrophobicContact CG2-CG2 3.9Å; I251-A293 HydrophobicContact CG2-CB 3.95Å
252	H	97.6	Very high	96.9	Very high	52 Å²	52	33.4 Å²	33.4	24%	0.241	17%	0.174	C	C	.	.	H	α-helix	trans	-60.3	-38.7	179.3	178.2	-124.6	0	0	0	112.5	T248 D249 S250 V254 V255 R256 R296	T248-H252 WeakPolarHBondContact O-CB 3.44Å; T248-H252 PolarHBondContact O-N 2.99Å; D249-H252 PolarHBondContact O-N 3.15Å; S250-H252 PolarHBondContact O-N 3.21Å; H252-V254 VanDerWaalsContact C-N 3.32Å; H252-V254 PolarHBondContact O-N 2.94Å; H252-V255 PolarHBondContact O-N 3.38Å; H252-R256 VanDerWaalsContact O-CB 3.31Å; H252-R256 WeakPolarHBondContact O-CB 3.47Å; H252-R256 PolarHBondContact O-N 3.34Å; H252-R296 HydrophobicContact CB-CG 4.42Å
253	T	98.3	Very high	96.9	Very high	39 Å²	39	33 Å²	33	24%	0.239	17%	0.171	C	C	.	.	H	α-helix	trans	-58.2	-44.1	176.9	-64.7	0	0	0	0	111.8	A218 R219 A222 D249 S250 I251 A257	A218-T253 HydrophobicContact CB-CG2 4.32Å; R219-T253 HydrophobicContact CG-CG2 3.95Å; A222-T253 HydrophobicContact CB-CG2 3.93Å; D249-T253 WeakPolarHBondContact O-CB 3.36Å; D249-T253 PolarHBondContact O-N 2.8Å; D249-T253 PolarHBondContact O-OG1 2.73Å; S250-T253 WeakPolarHBondContact O-CB 3.48Å; S250-T253 PolarHBondContact O-N 2.92Å; I251-T253 VanDerWaalsContact C-N 3.3Å; I251-T253 PolarHBondContact O-N 2.68Å; T253-A257 PolarHBondContact O-N 2.68Å
254	V	98.1	Very high	97	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-71	-44.5	177.3	178.3	0	0	0	0	111.1	A218 I221 I225 V241 F244 S250 I251 H252 R256 A257 P259 Y262	A218-V254 HydrophobicContact CB-CG2 4.1Å; I221-V254 HydrophobicContact CB-CG2 4.21Å; I221-V254 HydrophobicContact CG2-CG1 3.93Å; I221-V254 HydrophobicContact CG2-CG2 3.87Å; I225-V254 HydrophobicContact CD1-CG1 4.13Å; V241-V254 HydrophobicContact CG1-CG1 4.17Å; F244-V254 HydrophobicContact CE2-CG2 4.27Å; F244-V254 HydrophobicContact CZ-CG2 3.9Å; S250-V254 PolarHBondContact O-N 2.71Å; I251-V254 PolarHBondContact O-N 2.83Å; H252-V254 VanDerWaalsContact C-N 3.32Å; H252-V254 PolarHBondContact O-N 2.94Å; V254-R256 VanDerWaalsContact C-N 3.29Å; V254-R256 PolarHBondContact O-N 3.06Å; V254-A257 VanDerWaalsContact O-CB 3.28Å; V254-A257 WeakPolarHBondContact O-CB 3.42Å; V254-A257 PolarHBondContact O-N 2.95Å; V254-P259 HydrophobicContact CG1-CG 4.47Å; V254-P259 VanDerWaalsContact O-CD 3.26Å; V254-P259 WeakPolarHBondContact O-CD 3.49Å; V254-Y262 HydrophobicContact CB-CE2 4.12Å; V254-Y262 HydrophobicContact CG1-CD2 4.03Å; V254-Y262 HydrophobicContact CG1-CE2 3.94Å
255	V	97.8	Very high	97	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	17%	0.172	C	C	.	.	H	α-helix	trans	-60.1	-39.2	178.5	173.8	0	0	0	0	111.5	I251 H252 A257 S258 Y262 A293 R296 L300 V310	I251-V255 HydrophobicContact CG2-CG2 4.29Å; I251-V255 WeakPolarHBondContact O-CG2 3.49Å; I251-V255 PolarHBondContact O-N 3.49Å; H252-V255 PolarHBondContact O-N 3.38Å; V255-A257 PolarHBondContact O-N 2.93Å; V255-S258 WeakPolarHBondContact O-CA 3.47Å; V255-S258 PolarHBondContact O-N 2.83Å; V255-Y262 HydrophobicContact CG2-CD2 3.98Å; V255-Y262 HydrophobicContact CG2-CE2 4.12Å; V255-A293 HydrophobicContact CG2-CB 3.96Å; V255-R296 HydrophobicContact CG1-CB 4.24Å; V255-L300 HydrophobicContact CG1-CD1 3.91Å; V255-V310 HydrophobicContact CG1-CG2 4.42Å
256	R	97.2	Very high	97.1	Very high	132 Å²	132	25.5 Å²	25.5	50%	0.498	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-12.4	175.2	-173.2	177.7	164.9	98.8	1.9	113.6	H252 V254 S258 L300	H252-R256 VanDerWaalsContact O-CB 3.31Å; H252-R256 WeakPolarHBondContact O-CB 3.47Å; H252-R256 PolarHBondContact O-N 3.34Å; V254-R256 VanDerWaalsContact C-N 3.29Å; V254-R256 PolarHBondContact O-N 3.06Å; R256-S258 PolarHBondContact O-N 3.22Å; R256-L300 HydrophobicContact CB-CD1 4.38Å
257	A	96.9	Very high	97.2	Very high	6 Å²	6	25.1 Å²	25.1	5%	0.05	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-2.4	166.4	0	0	0	0	0	112.4	A222 I225 R226 T253 V254 V255	A222-A257 HydrophobicContact CB-CB 3.77Å; I225-A257 HydrophobicContact CB-CB 4.03Å; 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 3.39Å; R226-A257 HydrophobicContact CG-CB 4.5Å; T253-A257 PolarHBondContact O-N 2.68Å; V254-A257 VanDerWaalsContact O-CB 3.28Å; V254-A257 WeakPolarHBondContact O-CB 3.42Å; V254-A257 PolarHBondContact O-N 2.95Å; V255-A257 PolarHBondContact O-N 2.93Å
258	S	94.5	Very high	97.3	Very high	33 Å²	33	22.9 Å²	22.9	23%	0.231	12%	0.117	C	C	.	.			trans	56	50	174.7	-51.7	0	0	0	0	114.2	K229 V255 R256	K229-S258 WeakPolarHBondContact CE-O 3.28Å; K229-S258 PolarHBondContact NZ-O 3.44Å; V255-S258 WeakPolarHBondContact O-CA 3.47Å; V255-S258 PolarHBondContact O-N 2.83Å; R256-S258 PolarHBondContact O-N 3.22Å
259	P	95.6	Very high	97.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.1	C	C	.	.			trans	-62.3	145.2	168.1	30.5	-34.7	0	0	0	109.9	I225 C239 V254 V261 V310	I225-P259 HydrophobicContact CD1-CB 4.15Å; I225-P259 HydrophobicContact CD1-CG 4.32Å; C239-P259 HydrophobicContact CB-CB 4.21Å; V254-P259 HydrophobicContact CG1-CG 4.47Å; V254-P259 VanDerWaalsContact O-CD 3.26Å; V254-P259 WeakPolarHBondContact O-CD 3.49Å; P259-V261 VanDerWaalsContact C-N 3.29Å; P259-V261 PolarHBondContact O-N 2.77Å; P259-V310 WeakPolarHBondContact O-CG2 3.33Å
260	E	94.4	Very high	97.4	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.009	10%	0.098	C	C	.	.	S	Bend	trans	-64.2	-36.3	174.1	-81	70.2	-153.9	0	0	112.2	K229 I236 V237 F308 I311 I402 K406	K229-E260 WeakPolarHBondContact CE-OE2 3.45Å; K229-E260 IonicContact NZ-OE1 2.83Å; K229-E260 PolarHBondContact NZ-OE1 2.91Å; K229-E260 IonicContact NZ-OE2 3.44Å; K229-E260 PolarHBondContact NZ-OE2 2.92Å; I236-E260 HydrophobicContact CB-CG 4.47Å; I236-E260 HydrophobicContact CG1-CG 4.4Å; I236-E260 HydrophobicContact CG2-CB 3.72Å; I236-E260 HydrophobicContact CG2-CG 4Å; V237-E260 PolarHBondContact N-OE2 3.49Å; V237-E260 PolarHBondContact O-N 3.47Å; E260-F308 HydrophobicContact CG-CE2 4.34Å; E260-F308 HydrophobicContact CG-CZ 4.13Å; E260-I311 PolarHBondContact O-N 2.9Å; E260-I402 HydrophobicContact CB-CD1 3.58Å; E260-I402 HydrophobicContact CB-CG1 4.3Å; E260-I402 HydrophobicContact CG-CD1 3.84Å; E260-I402 HydrophobicContact CG-CG1 4.34Å; E260-I402 HydrophobicContact CG-CG2 3.93Å; E260-K406 IonicContact OE1-NZ 2.83Å; E260-K406 PolarHBondContact OE1-NZ 3.33Å; E260-K406 VanDerWaalsContact OE1-NZ 3.08Å
261	V	95.3	Very high	97.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.3	176.8	-172.3	0	0	0	0	110.2	V237 E238 C239 P259 I311 K313 I398	V237-V261 PolarHBondContact O-N 2.93Å; E238-V261 WeakPolarHBondContact CA-O 3.22Å; E238-V261 HydrophobicContact CB-CB 3.8Å; E238-V261 HydrophobicContact CB-CG1 4.41Å; E238-V261 HydrophobicContact CB-CG2 4.3Å; E238-V261 HydrophobicContact CG-CB 3.78Å; E238-V261 HydrophobicContact CG-CG1 3.84Å; C239-V261 PolarHBondContact N-O 3.02Å; P259-V261 VanDerWaalsContact C-N 3.29Å; P259-V261 PolarHBondContact O-N 2.77Å; V261-I311 CarbonylContact C-O 3.55Å; V261-I311 VanDerWaalsContact CA-O 3.29Å; V261-I311 WeakPolarHBondContact CA-O 3.32Å; V261-I311 HydrophobicContact CG1-CB 4.45Å; V261-I311 HydrophobicContact CG1-CG2 4.34Å; V261-I311 WeakPolarHBondContact CG1-O 3.4Å; V261-I311 HydrophobicContact CG2-CB 4.21Å; V261-I311 HydrophobicContact CG2-CG2 4.5Å; V261-K313 HydrophobicContact CG1-CB 3.85Å; V261-K313 HydrophobicContact CG1-CD 4.18Å; V261-I398 HydrophobicContact CG2-CD1 4.32Å; V261-I398 HydrophobicContact CG2-CG2 3.53Å
262	Y	97.2	Very high	97.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	111.3	169	-176.2	-76.6	0	0	0	108.7	V241 I251 V254 V255 H264 A293 V310 I311 T312 K313	V241-Y262 HydrophobicContact CG2-CD1 4.45Å; V241-Y262 HydrophobicContact CG2-CE1 3.72Å; V241-Y262 HydrophobicContact CG2-CE2 3.79Å; V241-Y262 WeakPolarHBondContact CG2-OH 3.27Å; I251-Y262 HydrophobicContact CG2-CE2 4.37Å; V254-Y262 HydrophobicContact CB-CE2 4.12Å; V254-Y262 HydrophobicContact CG1-CD2 4.03Å; V254-Y262 HydrophobicContact CG1-CE2 3.94Å; V255-Y262 HydrophobicContact CG2-CD2 3.98Å; V255-Y262 HydrophobicContact CG2-CE2 4.12Å; Y262-H264 HydrophobicContact CE1-CB 4.46Å; Y262-A293 HydrophobicContact CD1-CB 3.5Å; Y262-A293 HydrophobicContact CD2-CB 4.18Å; Y262-A293 HydrophobicContact CE1-CB 3.54Å; Y262-A293 HydrophobicContact CE2-CB 4.2Å; Y262-A293 HydrophobicContact CG-CB 3.85Å; Y262-V310 VanDerWaalsContact CB-CG1 3.49Å; Y262-I311 PolarHBondContact N-O 2.97Å; Y262-T312 CarbonylContact O-C 3.58Å; Y262-T312 VanDerWaalsContact O-CA 3.31Å; Y262-T312 WeakPolarHBondContact O-CA 3.48Å; Y262-K313 PolarHBondContact O-N 2.88Å
263	A	97.5	Very high	97.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	136.6	-179.2	0	0	0	0	0	111	E238 C239 L240 V241 K313	E238-A263 HydrophobicContact CG-CB 4.36Å; C239-A263 PolarHBondContact O-N 3.06Å; L240-A263 CarbonylContact C-O 3.51Å; L240-A263 WeakPolarHBondContact CA-O 3.31Å; L240-A263 HydrophobicContact CB-CB 4.21Å; L240-A263 HydrophobicContact CD1-CB 3.89Å; V241-A263 WeakPolarHBondContact CG2-O 3.34Å; V241-A263 PolarHBondContact N-O 3.44Å; A263-K313 CarbonylContact C-O 3.5Å; A263-K313 VanDerWaalsContact CA-O 3.23Å; A263-K313 WeakPolarHBondContact CA-O 3.38Å; A263-K313 HydrophobicContact CB-CB 3.96Å; A263-K313 HydrophobicContact CB-CD 4.49Å; A263-K313 HydrophobicContact CB-CG 4.44Å
264	H	98.1	Very high	97.2	Very high	5 Å²	5	30.6 Å²	30.6	2%	0.023	14%	0.142	C	C	.	.			trans	-144.8	125.8	166.3	179.4	70.1	0	0	0	108.6	V241 D243 Y262 S286 L290 K313 S314	V241-H264 HydrophobicContact CG2-CB 4.46Å; V241-H264 PolarHBondContact O-ND1 2.74Å; D243-H264 PolarHBondContact N-CE1 3.13Å; Y262-H264 HydrophobicContact CE1-CB 4.46Å; H264-S286 WeakPolarHBondContact NE2-CB 3.19Å; H264-S286 PolarHBondContact NE2-OG 2.93Å; H264-L290 HydrophobicContact CB-CD2 3.81Å; H264-L290 HydrophobicContact CB-CG 4.14Å; H264-K313 PolarHBondContact N-O 2.83Å; H264-S314 WeakPolarHBondContact O-CB 2.91Å; H264-S314 PolarHBondContact O-OG 3Å
265	N	97.9	Very high	97.1	Very high	9 Å²	9	33.8 Å²	33.8	5%	0.048	16%	0.161	C	C	.	.			trans	-89.1	131.4	-174.3	-66	-13.7	0	0	0	111.5	E267 R277 S314 S315	N265-E267 VanDerWaalsContact C-N 3.27Å; N265-E267 HydrophobicContact CB-CG 3.9Å; N265-E267 WeakPolarHBondContact CB-OE1 3.26Å; N265-E267 WeakPolarHBondContact CB-OE2 3.07Å; N265-E267 PolarHBondContact ND2-OE1 3.45Å; N265-E267 PolarHBondContact ND2-OE2 3.4Å; N265-R277 PolarHBondContact O-NH2 3.03Å; N265-R277 VanDerWaalsContact O-NH2 3.13Å; N265-S314 WeakPolarHBondContact CA-OG 3.45Å; N265-S315 WeakPolarHBondContact OD1-CB 3.5Å; N265-S315 PolarHBondContact OD1-N 2.93Å
266	I	98.3	Very high	97.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.161	C	C	.	.			trans	-75.8	-21.5	165.4	61.4	165.5	0	0	0	111.4	T268 Q273 Y283 L287 S314 S315 I316 A330 L334	I266-T268 PolarHBondContact O-N 3.36Å; I266-Q273 PolarHBondContact O-NE2 3.19Å; I266-Y283 HydrophobicContact CD1-CE2 4.06Å; I266-L287 HydrophobicContact CG2-CD2 4.1Å; I266-L287 HydrophobicContact CG2-CG 4.48Å; I266-S314 PolarHBondContact N-OG 3.21Å; I266-S315 WeakPolarHBondContact CG1-O 3.45Å; I266-I316 HydrophobicContact CD1-CD1 4.01Å; I266-I316 HydrophobicContact CD1-CG1 3.83Å; I266-I316 HydrophobicContact CG1-CG1 3.97Å; I266-A330 HydrophobicContact CD1-CB 4.1Å; I266-L334 HydrophobicContact CD1-CD1 3.75Å; I266-L334 HydrophobicContact CD1-CD2 4.01Å; I266-L334 HydrophobicContact CD1-CG 3.85Å; I266-L334 HydrophobicContact CG1-CD1 4.32Å; I266-L334 HydrophobicContact CG1-CD2 4.27Å; I266-L334 HydrophobicContact CG2-CD2 3.95Å
267	E	98.1	Very high	97.2	Very high	27 Å²	27	28.2 Å²	28.2	13%	0.126	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	66.5	-39.3	176	-50.7	-63.8	-170	0	0	115.9	F171 N265 R277 S315 M317	F171-E267 HydrophobicContact CE1-CB 4.41Å; F171-E267 HydrophobicContact CE1-CG 4.12Å; F171-E267 HydrophobicContact CZ-CB 4.47Å; F171-E267 HydrophobicContact CZ-CG 3.86Å; N265-E267 VanDerWaalsContact C-N 3.27Å; N265-E267 HydrophobicContact CB-CG 3.9Å; N265-E267 WeakPolarHBondContact CB-OE1 3.26Å; N265-E267 WeakPolarHBondContact CB-OE2 3.07Å; N265-E267 PolarHBondContact ND2-OE1 3.45Å; N265-E267 PolarHBondContact ND2-OE2 3.4Å; E267-R277 HydrophobicContact CB-CG 4.39Å; E267-S315 PolarHBondContact N-O 2.82Å; E267-M317 HydrophobicContact CB-CE 3.74Å; E267-M317 HydrophobicContact CG-CE 4.32Å; E267-M317 PolarHBondContact O-N 3.46Å; E267-M317 WeakPolarHBondContact OE2-CE 3.45Å
268	T	98.4	Very high	97.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-156.5	173.6	-177.3	-164.9	0	0	0	0	111.2	I266 L272 Q273 V276	I266-T268 PolarHBondContact O-N 3.36Å; T268-L272 HydrophobicContact CG2-CB 3.9Å; T268-Q273 HydrophobicContact CG2-CG 4.36Å; T268-Q273 PolarHBondContact O-NE2 2.68Å; T268-V276 HydrophobicContact CG2-CB 3.83Å; T268-V276 HydrophobicContact CG2-CG1 4.04Å; T268-V276 HydrophobicContact CG2-CG2 3.95Å
269	V	98.5	Very high	97.3	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	16%	0.161	C	C	.	.			trans	-68.5	156.1	177.1	-59.8	0	0	0	0	112	S271 L272 Q273 E322 E326 V327 A330	V269-S271 VanDerWaalsContact C-N 3.27Å; V269-S271 WeakPolarHBondContact CG2-OG 3.29Å; V269-S271 PolarHBondContact O-N 2.69Å; V269-S271 VanDerWaalsContact O-N 3.15Å; V269-L272 HydrophobicContact CG2-CB 4.23Å; V269-L272 HydrophobicContact CG2-CD1 4.02Å; V269-L272 HydrophobicContact CG2-CG 3.97Å; V269-L272 PolarHBondContact O-N 2.87Å; V269-Q273 PolarHBondContact O-N 2.99Å; V269-E322 HydrophobicContact CB-CB 4.42Å; V269-E322 HydrophobicContact CG1-CB 3.88Å; 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 3.68Å; V269-E326 HydrophobicContact CG2-CB 4Å; V269-V327 HydrophobicContact CG1-CG2 4.01Å; V269-A330 HydrophobicContact CG1-CB 4.35Å
270	E	98.3	Very high	97.3	Very high	118 Å²	118	37.4 Å²	37.4	55%	0.551	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-50.7	-43.6	-174.7	-173.6	177.1	-159.7	0	0	113.5	L272 Q273 Y283	E270-L272 PolarHBondContact O-N 2.8Å; E270-Q273 WeakPolarHBondContact O-CG 3.15Å; E270-Q273 PolarHBondContact O-N 2.88Å; E270-Y283 HydrophobicContact CB-CD1 3.78Å; E270-Y283 HydrophobicContact CB-CD2 3.99Å; E270-Y283 HydrophobicContact CB-CE1 4.03Å; E270-Y283 HydrophobicContact CB-CE2 4.22Å; E270-Y283 HydrophobicContact CB-CG 3.76Å; E270-Y283 HydrophobicContact CG-CD1 3.82Å; E270-Y283 HydrophobicContact CG-CE1 4.48Å; E270-Y283 HydrophobicContact CG-CG 3.86Å
271	S	98	Very high	97.4	Very high	70 Å²	70	37.8 Å²	37.8	49%	0.49	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-63.6	-23.2	-177.1	63.7	0	0	0	0	114.2	V269 E326	V269-S271 VanDerWaalsContact C-N 3.27Å; V269-S271 WeakPolarHBondContact CG2-OG 3.29Å; V269-S271 PolarHBondContact O-N 2.69Å; V269-S271 VanDerWaalsContact O-N 3.15Å; S271-E326 WeakPolarHBondContact CB-OE1 3.25Å; S271-E326 PolarHBondContact OG-OE1 2.86Å
272	L	98	Very high	97.4	Very high	28 Å²	28	39 Å²	39	15%	0.147	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-102.6	-6	-177.1	-66.1	-179	0	0	0	113.9	T268 V269 E270 R274 V275 V276 L320 E322	T268-L272 HydrophobicContact CG2-CB 3.9Å; V269-L272 HydrophobicContact CG2-CB 4.23Å; V269-L272 HydrophobicContact CG2-CD1 4.02Å; V269-L272 HydrophobicContact CG2-CG 3.97Å; V269-L272 PolarHBondContact O-N 2.87Å; E270-L272 PolarHBondContact O-N 2.8Å; L272-R274 PolarHBondContact O-N 2.66Å; L272-V275 WeakPolarHBondContact O-CA 3.27Å; L272-V275 WeakPolarHBondContact O-CB 3.25Å; L272-V275 PolarHBondContact O-N 3.44Å; L272-V276 HydrophobicContact CB-CG2 3.98Å; L272-V276 WeakPolarHBondContact O-CB 3.49Å; L272-V276 WeakPolarHBondContact O-CG2 3.28Å; L272-V276 PolarHBondContact O-N 2.99Å; L272-L320 HydrophobicContact CD1-CB 4.19Å; L272-E322 HydrophobicContact CD1-CB 3.95Å
273	Q	97.6	Very high	97.5	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.033	19%	0.193	C	C	.	.	H	α-helix	trans	-52.8	-50.1	-174	-72.1	-81.1	-37.6	0	0	113.2	I266 T268 V269 E270 V275 V276 R277 Y283	I266-Q273 PolarHBondContact O-NE2 3.19Å; T268-Q273 HydrophobicContact CG2-CG 4.36Å; T268-Q273 PolarHBondContact O-NE2 2.68Å; V269-Q273 PolarHBondContact O-N 2.99Å; E270-Q273 WeakPolarHBondContact O-CG 3.15Å; E270-Q273 PolarHBondContact O-N 2.88Å; Q273-V275 PolarHBondContact O-N 2.85Å; Q273-V276 PolarHBondContact O-N 3.06Å; Q273-R277 PolarHBondContact O-N 2.65Å; Q273-R277 VanDerWaalsContact OE1-NH1 3.08Å; Q273-Y283 HydrophobicContact CG-CD2 4.07Å; Q273-Y283 HydrophobicContact CG-CG 4.44Å
274	R	95.7	Very high	97.5	Very high	203 Å²	203	43.4 Å²	43.4	77%	0.766	21%	0.213	S	C	*	.	H	α-helix	trans	-65.6	-23.2	178.9	-74.6	-176.8	177.3	-89.4	-0.1	113.9	L272	L272-R274 PolarHBondContact O-N 2.66Å
275	V	96.9	Very high	97.5	Very high	67 Å²	67	45.7 Å²	45.7	41%	0.406	22%	0.224	S	C	.	.	H	α-helix	trans	-85.5	-37.1	179.4	-179.4	0	0	0	0	110.4	R170 L272 Q273 L355	R170-V275 VanDerWaalsContact CD-O 3.27Å; R170-V275 WeakPolarHBondContact CD-O 3.39Å; L272-V275 WeakPolarHBondContact O-CA 3.27Å; L272-V275 WeakPolarHBondContact O-CB 3.25Å; L272-V275 PolarHBondContact O-N 3.44Å; Q273-V275 PolarHBondContact O-N 2.85Å; V275-L355 HydrophobicContact CG1-CD2 4.48Å
276	V	97.6	Very high	97.5	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-91.5	-47.1	-170.7	174.5	0	0	0	0	112.2	R170 F171 T268 L272 Q273 L320 L355	R170-V276 PolarHBondContact N-O 3.32Å; F171-V276 HydrophobicContact CB-CG1 4.45Å; F171-V276 HydrophobicContact CD1-CG1 3.6Å; F171-V276 HydrophobicContact CE1-CG1 4.27Å; F171-V276 HydrophobicContact CG-CG1 4.36Å; T268-V276 HydrophobicContact CG2-CB 3.83Å; T268-V276 HydrophobicContact CG2-CG1 4.04Å; T268-V276 HydrophobicContact CG2-CG2 3.95Å; L272-V276 HydrophobicContact CB-CG2 3.98Å; L272-V276 WeakPolarHBondContact O-CB 3.49Å; L272-V276 WeakPolarHBondContact O-CG2 3.28Å; L272-V276 PolarHBondContact O-N 2.99Å; Q273-V276 PolarHBondContact O-N 3.06Å; V276-L320 HydrophobicContact CG1-CD1 3.86Å; V276-L320 HydrophobicContact CG2-CB 4.35Å; V276-L320 HydrophobicContact CG2-CD1 3.93Å; V276-L320 HydrophobicContact CG2-CD2 4.35Å; V276-L320 HydrophobicContact CG2-CG 4.45Å; V276-L355 HydrophobicContact CB-CD1 4.31Å; V276-L355 HydrophobicContact CG2-CD1 3.95Å
277	R	98	Very high	97.6	Very high	16 Å²	16	46.1 Å²	46.1	6%	0.06	23%	0.226	C	C	.	.	S	Bend	trans	-104	164.8	-173.2	-54.9	178.1	79.5	-165.3	5.9	110.8	F171 N265 E267 Q273 A281 S286	F171-R277 HydrophobicContact CE1-CG 4.15Å; N265-R277 PolarHBondContact O-NH2 3.03Å; N265-R277 VanDerWaalsContact O-NH2 3.13Å; E267-R277 HydrophobicContact CB-CG 4.39Å; Q273-R277 PolarHBondContact O-N 2.65Å; Q273-R277 VanDerWaalsContact OE1-NH1 3.08Å; R277-A281 HydrophobicContact CB-CB 4.04Å; R277-S286 PolarHBondContact NH1-OG 2.77Å; R277-S286 PolarHBondContact NH2-OG 2.74Å
278	D	97.6	Very high	97.6	Very high	14 Å²	14	52.4 Å²	52.4	8%	0.075	25%	0.249	C	C	.	.			trans	-56.1	144.1	169.3	-171.2	-72.3	0	0	0	110	R167 G168 C169 R280 A281	R167-D278 WeakPolarHBondContact CA-OD2 3.36Å; R167-D278 HydrophobicContact CB-CB 3.85Å; R167-D278 HydrophobicContact CG-CB 4.32Å; G168-D278 PolarHBondContact N-OD2 3.5Å; C169-D278 PolarHBondContact SG-N 3.19Å; C169-D278 VanDerWaalsContact SG-N 3.39Å; D278-R280 PolarHBondContact O-N 3.33Å; D278-R280 WeakPolarHBondContact OD1-CB 3.42Å; D278-R280 IonicContact OD1-CZ 3.91Å; D278-R280 PolarHBondContact OD1-N 2.91Å; D278-R280 IonicContact OD1-NE 3.7Å; D278-R280 PolarHBondContact OD1-NE 2.98Å; D278-R280 IonicContact OD1-NH2 3.63Å; D278-R280 IonicContact OD2-CZ 3.38Å; D278-R280 IonicContact OD2-NE 3.75Å; D278-R280 IonicContact OD2-NH2 3.34Å; D278-R280 PolarHBondContact OD2-NH2 3.36Å; D278-A281 WeakPolarHBondContact O-CB 3.37Å; D278-A281 PolarHBondContact O-N 2.89Å
279	H	96.1	Very high	97.5	Very high	139 Å²	139	52.5 Å²	52.5	64%	0.644	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.9	-176.3	71.7	80.7	0	0	0	113.9	A281	H279-A281 VanDerWaalsContact C-N 3.34Å
280	R	96.5	Very high	97.5	Very high	78 Å²	78	52.4 Å²	52.4	29%	0.294	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-19.7	173.3	-70.4	167.4	-78.3	-176.6	-12.5	113.1	T166 D211 D278 Q285	T166-R280 VanDerWaalsContact O-CZ 3.27Å; T166-R280 PolarHBondContact O-NH1 3.3Å; T166-R280 PolarHBondContact O-NH2 2.89Å; D211-R280 WeakPolarHBondContact OD2-CD 3.49Å; D211-R280 IonicContact OD2-CZ 2.68Å; D211-R280 IonicContact OD2-NE 3.66Å; D211-R280 IonicContact OD2-NH1 2.8Å; D211-R280 PolarHBondContact OD2-NH1 3.23Å; D278-R280 PolarHBondContact O-N 3.33Å; D278-R280 WeakPolarHBondContact OD1-CB 3.42Å; D278-R280 IonicContact OD1-CZ 3.91Å; D278-R280 PolarHBondContact OD1-N 2.91Å; D278-R280 IonicContact OD1-NE 3.7Å; D278-R280 PolarHBondContact OD1-NE 2.98Å; D278-R280 IonicContact OD1-NH2 3.63Å; D278-R280 IonicContact OD2-CZ 3.38Å; D278-R280 IonicContact OD2-NE 3.75Å; D278-R280 IonicContact OD2-NH2 3.34Å; D278-R280 PolarHBondContact OD2-NH2 3.36Å; R280-Q285 PolarHBondContact O-NE2 3.45Å
281	A	96.3	Very high	97.5	Very high	10 Å²	10	50.7 Å²	50.7	8%	0.083	24%	0.241	C	C	.	.			trans	-88	136.9	172.2	0	0	0	0	0	110	R277 D278 H279	R277-A281 HydrophobicContact CB-CB 4.04Å; D278-A281 WeakPolarHBondContact O-CB 3.37Å; D278-A281 PolarHBondContact O-N 2.89Å; H279-A281 VanDerWaalsContact C-N 3.34Å
282	G	95.7	Very high	97.5	Very high	25 Å²	25	48.1 Å²	48.1	26%	0.258	22%	0.222	S	C	.	.			trans	-137.5	147.8	-178.5	0	0	0	0	0	112.5	I284 Q285 S286	G282-I284 PolarHBondContact O-N 2.8Å; G282-Q285 WeakPolarHBondContact O-CB 3.36Å; G282-Q285 PolarHBondContact O-N 2.8Å; G282-S286 PolarHBondContact O-N 2.98Å; G282-S286 PolarHBondContact O-OG 3.13Å
283	Y	98.4	Very high	97.5	Very high	11 Å²	11	46.8 Å²	46.8	4%	0.043	22%	0.215	C	C	.	.	H	α-helix	trans	-53.1	-57.4	-178.9	-165.6	-112.1	0	0	0	112.7	I266 E270 Q273 Q285 S286 L287 A330 D333	I266-Y283 HydrophobicContact CD1-CE2 4.06Å; E270-Y283 HydrophobicContact CB-CD1 3.78Å; E270-Y283 HydrophobicContact CB-CD2 3.99Å; E270-Y283 HydrophobicContact CB-CE1 4.03Å; E270-Y283 HydrophobicContact CB-CE2 4.22Å; E270-Y283 HydrophobicContact CB-CG 3.76Å; E270-Y283 HydrophobicContact CG-CD1 3.82Å; E270-Y283 HydrophobicContact CG-CE1 4.48Å; E270-Y283 HydrophobicContact CG-CG 3.86Å; Q273-Y283 HydrophobicContact CG-CD2 4.07Å; Q273-Y283 HydrophobicContact CG-CG 4.44Å; Y283-Q285 VanDerWaalsContact C-N 3.3Å; Y283-Q285 PolarHBondContact O-N 3.08Å; Y283-S286 PolarHBondContact O-N 2.73Å; Y283-L287 HydrophobicContact CD1-CD1 3.86Å; Y283-L287 HydrophobicContact CE1-CD1 3.52Å; Y283-L287 HydrophobicContact CE1-CG 4.47Å; Y283-L287 PolarHBondContact O-N 2.95Å; Y283-A330 WeakPolarHBondContact OH-CA 3.49Å; Y283-A330 WeakPolarHBondContact OH-CB 3.4Å; Y283-D333 VanDerWaalsContact CE1-OD2 3.29Å; Y283-D333 WeakPolarHBondContact CE1-OD2 3.29Å; Y283-D333 PolarHBondContact OH-OD2 2.97Å
284	I	98.1	Very high	97.4	Very high	82 Å²	82	47.8 Å²	47.8	42%	0.421	22%	0.219	S	C	.	.	H	α-helix	trans	-65.5	-34.5	-179	-56.4	-59.1	0	0	0	111.4	G282 L287 R288	G282-I284 PolarHBondContact O-N 2.8Å; I284-L287 HydrophobicContact CD1-CD1 4.47Å; I284-L287 PolarHBondContact O-N 3.2Å; I284-R288 HydrophobicContact CG2-CG 4.34Å; I284-R288 VanDerWaalsContact O-CB 3.32Å; I284-R288 WeakPolarHBondContact O-CB 3.49Å; I284-R288 VanDerWaalsContact O-CG 3.26Å; I284-R288 WeakPolarHBondContact O-CG 3.47Å; I284-R288 PolarHBondContact O-N 3.34Å
285	Q	98	Very high	97.5	Very high	54 Å²	54	42 Å²	42	25%	0.252	20%	0.201	S	C	.	.	H	α-helix	trans	-63.6	-45.1	175.3	179.1	171.7	-71.1	0	0	111	D243 R280 G282 Y283 R288 S289	D243-Q285 HydrophobicContact CB-CG 4.34Å; D243-Q285 PolarHBondContact OD2-NE2 3.25Å; R280-Q285 PolarHBondContact O-NE2 3.45Å; G282-Q285 WeakPolarHBondContact O-CB 3.36Å; G282-Q285 PolarHBondContact O-N 2.8Å; Y283-Q285 VanDerWaalsContact C-N 3.3Å; Y283-Q285 PolarHBondContact O-N 3.08Å; Q285-R288 PolarHBondContact O-N 3.47Å; Q285-S289 PolarHBondContact O-N 3.33Å
286	S	98.4	Very high	97.5	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.1	-42.6	176.8	-71.7	0	0	0	0	112.6	H264 R277 G282 Y283 S289 L290	H264-S286 WeakPolarHBondContact NE2-CB 3.19Å; H264-S286 PolarHBondContact NE2-OG 2.93Å; R277-S286 PolarHBondContact NH1-OG 2.77Å; R277-S286 PolarHBondContact NH2-OG 2.74Å; G282-S286 PolarHBondContact O-N 2.98Å; G282-S286 PolarHBondContact O-OG 3.13Å; Y283-S286 PolarHBondContact O-N 2.73Å; S286-S289 WeakPolarHBondContact O-CB 3.44Å; S286-S289 PolarHBondContact O-N 3.35Å; S286-L290 PolarHBondContact O-N 2.94Å
287	L	98.6	Very high	97.4	Very high	18 Å²	18	42 Å²	42	9%	0.094	19%	0.194	C	C	.	.	H	α-helix	trans	-62	-47.5	174.4	-69.6	174.9	0	0	0	111.6	I266 Y283 I284 S289 L290 E291 D333 L334 A337	I266-L287 HydrophobicContact CG2-CD2 4.1Å; I266-L287 HydrophobicContact CG2-CG 4.48Å; Y283-L287 HydrophobicContact CD1-CD1 3.86Å; Y283-L287 HydrophobicContact CE1-CD1 3.52Å; Y283-L287 HydrophobicContact CE1-CG 4.47Å; Y283-L287 PolarHBondContact O-N 2.95Å; I284-L287 HydrophobicContact CD1-CD1 4.47Å; I284-L287 PolarHBondContact O-N 3.2Å; L287-S289 PolarHBondContact O-N 2.9Å; L287-L290 PolarHBondContact O-N 2.78Å; L287-L290 VanDerWaalsContact O-N 3.12Å; L287-E291 PolarHBondContact O-N 3.29Å; L287-D333 HydrophobicContact CD1-CB 3.91Å; L287-D333 HydrophobicContact CD2-CB 4.34Å; L287-L334 HydrophobicContact CD2-CD2 3.83Å; L287-L334 HydrophobicContact CD2-CG 4.33Å; L287-A337 HydrophobicContact CD2-CB 4.31Å
288	R	98.2	Very high	97.3	Very high	159 Å²	159	44.6 Å²	44.6	60%	0.6	21%	0.209	S	C	*	.	H	α-helix	trans	-60.7	-31.7	176.4	-77	178.5	178.5	179	-0.3	112.9	I284 Q285 L290 T292	I284-R288 HydrophobicContact CG2-CG 4.34Å; I284-R288 VanDerWaalsContact O-CB 3.32Å; I284-R288 WeakPolarHBondContact O-CB 3.49Å; I284-R288 VanDerWaalsContact O-CG 3.26Å; I284-R288 WeakPolarHBondContact O-CG 3.47Å; I284-R288 PolarHBondContact O-N 3.34Å; Q285-R288 PolarHBondContact O-N 3.47Å; R288-L290 VanDerWaalsContact C-N 3.34Å; R288-T292 WeakPolarHBondContact O-CB 3.45Å; R288-T292 PolarHBondContact O-N 3.38Å; R288-T292 PolarHBondContact O-OG1 2.68Å
289	S	98	Very high	97.2	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.007	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-44.2	175.7	-166.9	0	0	0	0	111.5	Q285 S286 L287 A293	Q285-S289 PolarHBondContact O-N 3.33Å; S286-S289 WeakPolarHBondContact O-CB 3.44Å; S286-S289 PolarHBondContact O-N 3.35Å; L287-S289 PolarHBondContact O-N 2.9Å; S289-A293 WeakPolarHBondContact O-CB 3.33Å; S289-A293 PolarHBondContact O-N 2.97Å
290	L	98.4	Very high	97.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-70.4	-44.4	179.1	-67.1	163.1	0	0	0	111.7	H264 S286 L287 R288 A293 K294 K313 L334 V339	H264-L290 HydrophobicContact CB-CD2 3.81Å; H264-L290 HydrophobicContact CB-CG 4.14Å; S286-L290 PolarHBondContact O-N 2.94Å; L287-L290 PolarHBondContact O-N 2.78Å; L287-L290 VanDerWaalsContact O-N 3.12Å; R288-L290 VanDerWaalsContact C-N 3.34Å; L290-A293 PolarHBondContact O-N 3.42Å; L290-K294 PolarHBondContact O-N 2.83Å; L290-K313 WeakPolarHBondContact CD2-O 3.43Å; L290-L334 HydrophobicContact CD1-CD2 3.96Å; L290-V339 HydrophobicContact CB-CG2 3.88Å; L290-V339 HydrophobicContact CD1-CG2 3.64Å; L290-V339 HydrophobicContact CG-CG2 4.21Å
291	E	98.1	Very high	97.1	Very high	81 Å²	81	42.9 Å²	42.9	38%	0.379	20%	0.202	S	C	.	.	H	α-helix	trans	-58.3	-50.1	175.2	-177.6	176.8	-142.2	0	0	110.8	L287 A293 K294 E295 A337	L287-E291 PolarHBondContact O-N 3.29Å; E291-A293 VanDerWaalsContact C-N 3.31Å; E291-A293 PolarHBondContact O-N 2.75Å; E291-K294 WeakPolarHBondContact O-CB 3.46Å; E291-K294 PolarHBondContact O-N 3.48Å; E291-K294 VanDerWaalsContact O-N 3.15Å; E291-E295 WeakPolarHBondContact O-CG 3.33Å; E291-E295 PolarHBondContact O-N 3.39Å; E291-A337 HydrophobicContact CB-CB 4.41Å
292	T	98	Very high	97	Very high	17 Å²	17	47.7 Å²	47.7	10%	0.104	24%	0.235	C	C	.	.	H	α-helix	trans	-58.8	-42.5	176.7	-59.8	0	0	0	0	111.2	T248 I251 R288 K294 E295 R296	T248-T292 HydrophobicContact CG2-CG2 4.05Å; I251-T292 HydrophobicContact CB-CG2 4.27Å; I251-T292 HydrophobicContact CD1-CG2 4.1Å; I251-T292 HydrophobicContact CG2-CG2 3.9Å; R288-T292 WeakPolarHBondContact O-CB 3.45Å; R288-T292 PolarHBondContact O-N 3.38Å; R288-T292 PolarHBondContact O-OG1 2.68Å; T292-K294 VanDerWaalsContact C-N 3.32Å; T292-K294 PolarHBondContact O-N 3.43Å; T292-E295 PolarHBondContact O-N 2.93Å; T292-R296 HydrophobicContact CG2-CG 4.03Å; T292-R296 WeakPolarHBondContact O-CB 3.45Å; T292-R296 WeakPolarHBondContact O-CG 3.23Å; T292-R296 PolarHBondContact O-N 2.99Å
293	A	97.9	Very high	96.9	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-42.7	178.6	0	0	0	0	0	111.8	I251 V255 Y262 S289 L290 E291 S297 T312	I251-A293 HydrophobicContact CG2-CB 3.95Å; V255-A293 HydrophobicContact CG2-CB 3.96Å; Y262-A293 HydrophobicContact CD1-CB 3.5Å; Y262-A293 HydrophobicContact CD2-CB 4.18Å; Y262-A293 HydrophobicContact CE1-CB 3.54Å; Y262-A293 HydrophobicContact CE2-CB 4.2Å; Y262-A293 HydrophobicContact CG-CB 3.85Å; S289-A293 WeakPolarHBondContact O-CB 3.33Å; S289-A293 PolarHBondContact O-N 2.97Å; L290-A293 PolarHBondContact O-N 3.42Å; E291-A293 VanDerWaalsContact C-N 3.31Å; E291-A293 PolarHBondContact O-N 2.75Å; A293-S297 WeakPolarHBondContact O-CB 3.27Å; A293-S297 PolarHBondContact O-N 3.42Å; A293-T312 HydrophobicContact CB-CG2 4.46Å
294	K	96.2	Very high	96.6	Very high	27 Å²	27	52.5 Å²	52.5	12%	0.117	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-48.8	176.5	-166.7	63.7	153.3	-173.3	0	111.9	L290 E291 T292 R296 S297 N298 L309 T312 D340	L290-K294 PolarHBondContact O-N 2.83Å; E291-K294 WeakPolarHBondContact O-CB 3.46Å; E291-K294 PolarHBondContact O-N 3.48Å; E291-K294 VanDerWaalsContact O-N 3.15Å; T292-K294 VanDerWaalsContact C-N 3.32Å; T292-K294 PolarHBondContact O-N 3.43Å; K294-R296 PolarHBondContact O-N 3.41Å; K294-S297 PolarHBondContact O-N 2.91Å; K294-N298 PolarHBondContact O-N 3.07Å; K294-N298 PolarHBondContact O-ND2 3.35Å; K294-L309 HydrophobicContact CD-CD1 4.31Å; K294-T312 HydrophobicContact CB-CG2 4.16Å; K294-T312 HydrophobicContact CD-CG2 4.22Å; K294-D340 IonicContact NZ-OD1 3.86Å; K294-D340 PolarHBondContact NZ-OD1 3.3Å; K294-D340 IonicContact NZ-OD2 3.42Å; K294-D340 PolarHBondContact NZ-OD2 3.19Å
295	E	96.9	Very high	96.3	Very high	83 Å²	83	53.6 Å²	53.6	39%	0.388	28%	0.283	S	S	.	.	H	α-helix	trans	-59.2	-46.2	178	-72.5	-178.1	176.6	0	0	112.3	E291 T292 N298 R299	E291-E295 WeakPolarHBondContact O-CG 3.33Å; E291-E295 PolarHBondContact O-N 3.39Å; T292-E295 PolarHBondContact O-N 2.93Å; E295-N298 PolarHBondContact O-N 2.94Å; E295-R299 WeakPolarHBondContact O-CG 3.35Å; E295-R299 PolarHBondContact O-N 2.99Å; E295-R299 IonicContact OE2-NH2 3.82Å
296	R	97	Very high	95.9	Very high	66 Å²	66	51.6 Å²	51.6	25%	0.249	28%	0.276	C	S	.	.	H	α-helix	trans	-66.3	-39.8	-179.8	-66.2	-63.5	173.2	167.2	1.7	111.4	H252 V255 T292 K294 R299 L300	H252-R296 HydrophobicContact CB-CG 4.42Å; V255-R296 HydrophobicContact CG1-CB 4.24Å; T292-R296 HydrophobicContact CG2-CG 4.03Å; T292-R296 WeakPolarHBondContact O-CB 3.45Å; T292-R296 WeakPolarHBondContact O-CG 3.23Å; T292-R296 PolarHBondContact O-N 2.99Å; K294-R296 PolarHBondContact O-N 3.41Å; R296-R299 PolarHBondContact O-N 3.12Å; R296-L300 WeakPolarHBondContact O-CG 3.33Å; R296-L300 PolarHBondContact O-N 2.95Å
297	S	96.1	Very high	95.3	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.007	31%	0.31	C	S	.	.	H	α-helix	trans	-65.1	-42.3	175.7	-175.7	0	0	0	0	111.9	A293 K294 R299 L300 V301 L309 V310	A293-S297 WeakPolarHBondContact O-CB 3.27Å; A293-S297 PolarHBondContact O-N 3.42Å; K294-S297 PolarHBondContact O-N 2.91Å; S297-R299 VanDerWaalsContact C-N 3.31Å; S297-R299 PolarHBondContact O-N 2.87Å; S297-L300 PolarHBondContact O-N 3.13Å; S297-V301 WeakPolarHBondContact O-CG2 3.29Å; S297-V301 PolarHBondContact O-N 2.96Å; S297-L309 WeakPolarHBondContact OG-CD1 3.46Å; S297-V310 WeakPolarHBondContact OG-CB 3.41Å; S297-V310 WeakPolarHBondContact OG-CG2 3.33Å; S297-V310 PolarHBondContact OG-N 3.36Å
298	N	95.2	Very high	94.7	Very high	70 Å²	70	58 Å²	58	37%	0.374	31%	0.309	S	S	.	.	H	α-helix	trans	-56.1	-46.1	173.4	-79.2	-29.5	0	0	0	111.4	K294 E295 L300 V301 S302 L309	K294-N298 PolarHBondContact O-N 3.07Å; K294-N298 PolarHBondContact O-ND2 3.35Å; E295-N298 PolarHBondContact O-N 2.94Å; N298-L300 PolarHBondContact O-N 2.82Å; N298-V301 PolarHBondContact O-N 2.8Å; N298-S302 WeakPolarHBondContact O-CB 3.41Å; N298-S302 PolarHBondContact O-N 3.39Å; N298-S302 PolarHBondContact O-OG 3.18Å; N298-S302 VanDerWaalsContact O-OG 3.07Å; N298-L309 WeakPolarHBondContact OD1-CD1 3.44Å
299	R	96	Very high	94.4	Very high	133 Å²	133	52.3 Å²	52.3	50%	0.502	29%	0.291	S	S	.	.	H	α-helix	trans	-61.8	-40.3	178.5	-69.8	178	-166.6	167.1	10.7	112.8	E295 R296 S297 S303	E295-R299 WeakPolarHBondContact O-CG 3.35Å; E295-R299 PolarHBondContact O-N 2.99Å; E295-R299 IonicContact OE2-NH2 3.82Å; R296-R299 PolarHBondContact O-N 3.12Å; S297-R299 VanDerWaalsContact C-N 3.31Å; S297-R299 PolarHBondContact O-N 2.87Å; R299-S303 WeakPolarHBondContact O-CB 3.44Å; R299-S303 PolarHBondContact O-N 3.16Å; R299-S303 VanDerWaalsContact O-N 3.08Å; R299-S303 PolarHBondContact O-OG 3.01Å
300	L	95.8	Very high	94.2	Very high	11 Å²	11	52.4 Å²	52.4	6%	0.058	29%	0.292	C	S	.	.	H	α-helix	trans	-65.6	-41.5	177	-68.6	171.7	0	0	0	111.5	V255 R256 R296 S297 N298 S303 G304 D305 A306	V255-L300 HydrophobicContact CG1-CD1 3.91Å; R256-L300 HydrophobicContact CB-CD1 4.38Å; R296-L300 WeakPolarHBondContact O-CG 3.33Å; R296-L300 PolarHBondContact O-N 2.95Å; S297-L300 PolarHBondContact O-N 3.13Å; N298-L300 PolarHBondContact O-N 2.82Å; L300-S303 WeakPolarHBondContact CA-OG 3.4Å; L300-S303 PolarHBondContact O-N 3.01Å; L300-S303 PolarHBondContact O-OG 3.14Å; L300-S303 VanDerWaalsContact O-OG 3.07Å; L300-G304 PolarHBondContact O-N 3.44Å; L300-D305 HydrophobicContact CB-CB 4.32Å; L300-D305 HydrophobicContact CD2-CB 3.74Å; L300-D305 PolarHBondContact O-N 2.96Å; L300-A306 HydrophobicContact CB-CB 3.74Å; L300-A306 PolarHBondContact O-N 3.27Å
301	V	93.3	Very high	94.1	Very high	52 Å²	52	52.5 Å²	52.5	32%	0.315	29%	0.292	S	S	.	.	H	α-helix	trans	-65.6	-47	175.9	175.6	0	0	0	0	111	S297 N298 S303 G304 A306 F308 L309	S297-V301 WeakPolarHBondContact O-CG2 3.29Å; S297-V301 PolarHBondContact O-N 2.96Å; N298-V301 PolarHBondContact O-N 2.8Å; V301-S303 PolarHBondContact O-N 2.85Å; V301-G304 PolarHBondContact O-N 2.75Å; V301-G304 VanDerWaalsContact O-N 3.08Å; V301-A306 HydrophobicContact CG2-CB 4.32Å; V301-F308 WeakPolarHBondContact CG2-O 3.48Å; V301-L309 HydrophobicContact CG2-CB 4.5Å
302	S	94	Very high	94	Very high	111 Å²	111	48.7 Å²	48.7	78%	0.776	27%	0.274	S	S	*	.	H	α-helix	trans	-64	-23.2	179.7	-60.7	0	0	0	0	114	N298	N298-S302 WeakPolarHBondContact O-CB 3.41Å; N298-S302 PolarHBondContact O-N 3.39Å; N298-S302 PolarHBondContact O-OG 3.18Å; N298-S302 VanDerWaalsContact O-OG 3.07Å
303	S	95	Very high	94	Very high	74 Å²	74	48.1 Å²	48.1	52%	0.517	27%	0.27	S	S	.	.	H	α-helix	trans	-93	-6	176.3	49.7	0	0	0	0	113.8	R299 L300 V301 D305	R299-S303 WeakPolarHBondContact O-CB 3.44Å; R299-S303 PolarHBondContact O-N 3.16Å; R299-S303 VanDerWaalsContact O-N 3.08Å; R299-S303 PolarHBondContact O-OG 3.01Å; L300-S303 WeakPolarHBondContact CA-OG 3.4Å; L300-S303 PolarHBondContact O-N 3.01Å; L300-S303 PolarHBondContact O-OG 3.14Å; L300-S303 VanDerWaalsContact O-OG 3.07Å; V301-S303 PolarHBondContact O-N 2.85Å; S303-D305 VanDerWaalsContact C-N 3.28Å
304	G	92.7	Very high	93.9	Very high	63 Å²	63	48.1 Å²	48.1	65%	0.649	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	8.3	-174.9	0	0	0	0	0	114.5	L300 V301 A306	L300-G304 PolarHBondContact O-N 3.44Å; V301-G304 PolarHBondContact O-N 2.75Å; V301-G304 VanDerWaalsContact O-N 3.08Å; G304-A306 VanDerWaalsContact C-N 3.3Å
305	D	91.6	Very high	94	Very high	104 Å²	104	47.2 Å²	47.2	56%	0.556	27%	0.267	S	S	*	.	S	Bend	trans	-80.6	-8.8	177.7	-83	-17.1	0	0	0	113.1	L300 S303	L300-D305 HydrophobicContact CB-CB 4.32Å; L300-D305 HydrophobicContact CD2-CB 3.74Å; L300-D305 PolarHBondContact O-N 2.96Å; S303-D305 VanDerWaalsContact C-N 3.28Å
306	A	89.1	Confident	94.1	Very high	13 Å²	13	43.2 Å²	43.2	11%	0.107	25%	0.249	C	C	.	.			trans	-146.2	138.6	175.9	0	0	0	0	0	112.3	L300 V301 G304 F308	L300-A306 HydrophobicContact CB-CB 3.74Å; L300-A306 PolarHBondContact O-N 3.27Å; V301-A306 HydrophobicContact CG2-CB 4.32Å; G304-A306 VanDerWaalsContact C-N 3.3Å; A306-F308 VanDerWaalsContact C-N 3.31Å; A306-F308 PolarHBondContact O-N 3.1Å
307	D	84.9	Confident	94.1	Very high	132 Å²	132	41.4 Å²	41.4	71%	0.706	24%	0.243	S	C	*	.	S	Bend	trans	-76	-16	-176.7	-52.7	-39.3	0	0	0	113.7	N409	D307-N409 PolarHBondContact O-ND2 3.07Å
308	F	87	Confident	94.2	Very high	19 Å²	19	41.5 Å²	41.5	8%	0.083	24%	0.243	C	C	.	.	S	Bend	trans	-152.8	153.3	-175.5	62.4	-94.9	0	0	0	113	E260 V301 A306 V310	E260-F308 HydrophobicContact CG-CE2 4.34Å; E260-F308 HydrophobicContact CG-CZ 4.13Å; V301-F308 WeakPolarHBondContact CG2-O 3.48Å; A306-F308 VanDerWaalsContact C-N 3.31Å; A306-F308 PolarHBondContact O-N 3.1Å; F308-V310 HydrophobicContact CE2-CG2 4.5Å
309	L	92.4	Very high	94.3	Very high	41 Å²	41	38.2 Å²	38.2	22%	0.215	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-75.5	123.5	171.4	-177.1	61	0	0	0	110.1	K294 S297 N298 V301 R405	K294-L309 HydrophobicContact CD-CD1 4.31Å; S297-L309 WeakPolarHBondContact OG-CD1 3.46Å; N298-L309 WeakPolarHBondContact OD1-CD1 3.44Å; V301-L309 HydrophobicContact CG2-CB 4.5Å; L309-R405 PolarHBondContact O-NH1 3.46Å
310	V	93.5	Very high	94.3	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.018	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-61.1	135.7	175.3	177.6	0	0	0	0	110.1	V255 P259 Y262 S297 F308	V255-V310 HydrophobicContact CG1-CG2 4.42Å; P259-V310 WeakPolarHBondContact O-CG2 3.33Å; Y262-V310 VanDerWaalsContact CB-CG1 3.49Å; S297-V310 WeakPolarHBondContact OG-CB 3.41Å; S297-V310 WeakPolarHBondContact OG-CG2 3.33Å; S297-V310 PolarHBondContact OG-N 3.36Å; F308-V310 HydrophobicContact CE2-CG2 4.5Å
311	I	95	Very high	94.4	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	127.6	173.4	-64.5	172.1	0	0	0	108.7	E260 V261 Y262 D340 I398 I401 I402	E260-I311 PolarHBondContact O-N 2.9Å; V261-I311 CarbonylContact C-O 3.55Å; V261-I311 VanDerWaalsContact CA-O 3.29Å; V261-I311 WeakPolarHBondContact CA-O 3.32Å; V261-I311 HydrophobicContact CG1-CB 4.45Å; V261-I311 HydrophobicContact CG1-CG2 4.34Å; V261-I311 WeakPolarHBondContact CG1-O 3.4Å; V261-I311 HydrophobicContact CG2-CB 4.21Å; V261-I311 HydrophobicContact CG2-CG2 4.5Å; Y262-I311 PolarHBondContact N-O 2.97Å; I311-D340 VanDerWaalsContact CA-OD2 3.31Å; I311-D340 WeakPolarHBondContact CA-OD2 3.47Å; I311-D340 HydrophobicContact CG2-CB 3.84Å; I311-I398 HydrophobicContact CD1-CG2 4.12Å; I311-I401 HydrophobicContact CD1-CB 4.43Å; I311-I401 HydrophobicContact CD1-CG2 3.89Å; I311-I402 HydrophobicContact CD1-CD1 4.27Å; I311-I402 HydrophobicContact CD1-CG1 3.71Å
312	T	96.6	Very high	94.7	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	136.8	175.9	46.5	0	0	0	0	111.3	Y262 A293 K294 G338 V339 D340 C341	Y262-T312 CarbonylContact O-C 3.58Å; Y262-T312 VanDerWaalsContact O-CA 3.31Å; Y262-T312 WeakPolarHBondContact O-CA 3.48Å; A293-T312 HydrophobicContact CB-CG2 4.46Å; K294-T312 HydrophobicContact CB-CG2 4.16Å; K294-T312 HydrophobicContact CD-CG2 4.22Å; T312-G338 PolarHBondContact OG1-O 2.93Å; T312-V339 VanDerWaalsContact OG1-CA 3.31Å; T312-V339 WeakPolarHBondContact OG1-CA 3.14Å; T312-D340 PolarHBondContact N-OD2 3.28Å; T312-D340 WeakPolarHBondContact O-CA 3.5Å; T312-D340 WeakPolarHBondContact O-CB 3.11Å; T312-D340 PolarHBondContact O-N 3.29Å; T312-D340 PolarHBondContact OG1-N 3.4Å; T312-D340 VanDerWaalsContact OG1-N 3.11Å; T312-D340 PolarHBondContact OG1-OD2 2.91Å; T312-C341 PolarHBondContact O-N 3.36Å
313	K	96.9	Very high	94.8	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.026	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	144.9	-176.5	-176.1	180	177.1	-166.8	0	112.5	E238 V261 Y262 A263 H264 L290 C341 S389 I398	E238-K313 IonicContact OE1-NZ 2.94Å; E238-K313 PolarHBondContact OE1-NZ 2.98Å; E238-K313 WeakPolarHBondContact OE2-CD 3.06Å; E238-K313 IonicContact OE2-NZ 3.51Å; E238-K313 PolarHBondContact OE2-NZ 3.49Å; V261-K313 HydrophobicContact CG1-CB 3.85Å; V261-K313 HydrophobicContact CG1-CD 4.18Å; Y262-K313 PolarHBondContact O-N 2.88Å; A263-K313 CarbonylContact C-O 3.5Å; A263-K313 VanDerWaalsContact CA-O 3.23Å; A263-K313 WeakPolarHBondContact CA-O 3.38Å; A263-K313 HydrophobicContact CB-CB 3.96Å; A263-K313 HydrophobicContact CB-CD 4.49Å; A263-K313 HydrophobicContact CB-CG 4.44Å; H264-K313 PolarHBondContact N-O 2.83Å; L290-K313 WeakPolarHBondContact CD2-O 3.43Å; K313-C341 CarbonylContact C-O 3.55Å; K313-C341 VanDerWaalsContact CA-O 3.27Å; K313-C341 WeakPolarHBondContact CA-O 3.45Å; K313-C341 HydrophobicContact CB-CB 4.06Å; K313-C341 HydrophobicContact CD-CB 4.4Å; K313-C341 HydrophobicContact CG-CB 3.85Å; K313-S389 WeakPolarHBondContact CE-O 3.49Å; K313-S389 PolarHBondContact NZ-O 3.4Å; K313-I398 HydrophobicContact CD-CD1 4.46Å
314	S	97.7	Very high	94.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	177.1	173.7	-154.4	0	0	0	0	113	H264 N265 I266 C341 V342 T343	H264-S314 WeakPolarHBondContact O-CB 2.91Å; H264-S314 PolarHBondContact O-OG 3Å; N265-S314 WeakPolarHBondContact CA-OG 3.45Å; I266-S314 PolarHBondContact N-OG 3.21Å; S314-C341 PolarHBondContact N-O 3.47Å; S314-V342 WeakPolarHBondContact O-CA 3.48Å; S314-T343 PolarHBondContact O-N 3.03Å; S314-T343 PolarHBondContact O-OG1 3.01Å
315	S	97.2	Very high	95.2	Very high	7 Å²	7	40.6 Å²	40.6	5%	0.049	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	147.3	-179.2	-160.3	0	0	0	0	112.3	N265 I266 E267 T343	N265-S315 WeakPolarHBondContact OD1-CB 3.5Å; N265-S315 PolarHBondContact OD1-N 2.93Å; I266-S315 WeakPolarHBondContact CG1-O 3.45Å; E267-S315 PolarHBondContact N-O 2.82Å; S315-T343 CarbonylContact C-O 3.6Å; S315-T343 VanDerWaalsContact CA-O 3.25Å; S315-T343 WeakPolarHBondContact CA-O 3.48Å; S315-T343 WeakPolarHBondContact CA-OG1 3.31Å; S315-T343 WeakPolarHBondContact CB-OG1 3.42Å; S315-T343 PolarHBondContact OG-O 2.92Å; S315-T343 PolarHBondContact OG-OG1 3.03Å
316	I	98.1	Very high	95.5	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	127.8	170.8	-55.4	177.4	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 3.83Å; I266-I316 HydrophobicContact CG1-CG1 3.97Å; I316-L318 HydrophobicContact CG2-CD2 3.99Å; I316-A330 HydrophobicContact CD1-CB 3.9Å; I316-L331 HydrophobicContact CD1-CD2 3.95Å; I316-L331 HydrophobicContact CD1-CG 4.34Å; I316-L334 HydrophobicContact CD1-CD1 4.13Å; I316-L334 HydrophobicContact CG1-CD1 4.39Å; I316-T343 PolarHBondContact N-O 3.21Å; I316-I344 WeakPolarHBondContact O-CA 3.41Å; I316-G345 PolarHBondContact O-N 3.11Å
317	M	97.6	Very high	96	Very high	28 Å²	28	37.4 Å²	37.4	14%	0.138	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	132.6	168.9	-65.6	176.5	-75.1	0	0	110.3	F171 E267 L320 G345 Y347	F171-M317 HydrophobicContact CB-CE 4.44Å; F171-M317 HydrophobicContact CD1-CE 4.1Å; F171-M317 HydrophobicContact CD2-CE 3.53Å; F171-M317 HydrophobicContact CD2-SD 4Å; F171-M317 HydrophobicContact CE1-CE 4.19Å; F171-M317 HydrophobicContact CE2-CE 3.64Å; F171-M317 HydrophobicContact CE2-SD 4.34Å; F171-M317 HydrophobicContact CG-CE 3.77Å; F171-M317 HydrophobicContact CZ-CE 3.97Å; E267-M317 HydrophobicContact CB-CE 3.74Å; E267-M317 HydrophobicContact CG-CE 4.32Å; E267-M317 PolarHBondContact O-N 3.46Å; E267-M317 WeakPolarHBondContact OE2-CE 3.45Å; M317-L320 HydrophobicContact CB-CD1 4.18Å; M317-G345 CarbonylContact C-O 3.57Å; M317-G345 WeakPolarHBondContact CA-O 3.39Å; M317-Y347 HydrophobicContact SD-CD2 4.27Å
318	L	98.2	Very high	96.6	Very high	2 Å²	2	33 Å²	33	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	159.5	176.3	-54.8	-174.3	0	0	0	112	I316 E322 V327 I344 G345 Q346 Y347 I361 F366	I316-L318 HydrophobicContact CG2-CD2 3.99Å; L318-E322 WeakPolarHBondContact CA-OE1 3.36Å; L318-E322 VanDerWaalsContact CB-OE1 3.31Å; L318-E322 WeakPolarHBondContact CB-OE1 3.36Å; L318-E322 HydrophobicContact CD2-CG 3.91Å; L318-V327 HydrophobicContact CD2-CG1 4.2Å; L318-V327 HydrophobicContact CD2-CG2 3.74Å; L318-I344 HydrophobicContact CD1-CG2 3.61Å; L318-I344 HydrophobicContact CD2-CG2 4.33Å; L318-I344 HydrophobicContact CG-CG2 3.8Å; L318-G345 PolarHBondContact N-O 2.68Å; L318-Q346 PolarHBondContact O-NE2 2.88Å; L318-Y347 VanDerWaalsContact O-CB 3.29Å; L318-Y347 WeakPolarHBondContact O-CB 3.47Å; L318-Y347 PolarHBondContact O-N 3.24Å; L318-I361 HydrophobicContact CB-CG1 3.81Å; L318-I361 HydrophobicContact CD1-CG2 4.48Å; L318-F366 HydrophobicContact CD1-CD1 4.4Å; L318-F366 HydrophobicContact CD1-CE1 3.91Å; L318-F366 HydrophobicContact CD1-CZ 4.36Å; L318-F366 HydrophobicContact CG-CE1 4.43Å
319	G	97.4	Very high	97.2	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.01	18%	0.178	C	C	.	.	S	Bend	trans	90.4	15.2	-178	0	0	0	0	0	114.3	E322 K358 E359	G319-E322 PolarHBondContact N-OE1 2.97Å; G319-E322 PolarHBondContact N-OE2 3.2Å; G319-K358 PolarHBondContact O-N 3.19Å; G319-E359 WeakPolarHBondContact CA-O 3.47Å
320	L	97.2	Very high	97.5	Very high	12 Å²	12	33.8 Å²	33.8	6%	0.063	17%	0.168	C	C	.	.	S	Bend	trans	-94.9	-7.2	175.2	-71.7	165.8	0	0	0	112.5	L272 V276 M317 E322 Y347 L355 K358	L272-L320 HydrophobicContact CD1-CB 4.19Å; V276-L320 HydrophobicContact CG1-CD1 3.86Å; V276-L320 HydrophobicContact CG2-CB 4.35Å; V276-L320 HydrophobicContact CG2-CD1 3.93Å; V276-L320 HydrophobicContact CG2-CD2 4.35Å; V276-L320 HydrophobicContact CG2-CG 4.45Å; M317-L320 HydrophobicContact CB-CD1 4.18Å; L320-E322 WeakPolarHBondContact CA-OE2 3.46Å; L320-E322 PolarHBondContact N-OE2 3.19Å; L320-Y347 HydrophobicContact CD2-CD1 3.4Å; L320-Y347 VanDerWaalsContact CD2-CD1 3.4Å; L320-Y347 HydrophobicContact CD2-CD2 4.23Å; L320-Y347 HydrophobicContact CD2-CE1 3.72Å; L320-Y347 HydrophobicContact CD2-CG 3.68Å; L320-Y347 HydrophobicContact CG-CD1 4.03Å; L320-Y347 HydrophobicContact CG-CG 3.99Å; L320-L355 HydrophobicContact CD2-CB 4.34Å; L320-L355 HydrophobicContact CD2-CD1 4Å; L320-K358 VanDerWaalsContact O-CG 3.31Å; L320-K358 WeakPolarHBondContact O-CG 3.22Å
321	G	97.2	Very high	97.7	Very high	41 Å²	41	33.6 Å²	33.6	42%	0.423	17%	0.167	S	C	.	.	S	Bend	trans	111.9	10.3	178.4	0	0	0	0	0	113.7
322	E	98.2	Very high	97.9	Very high	22 Å²	22	38.9 Å²	38.9	10%	0.103	19%	0.19	C	C	.	.			trans	-63.2	142.7	173.6	70.9	-63	157.2	0	0	111.6	V269 L272 L318 G319 L320 V327	V269-E322 HydrophobicContact CB-CB 4.42Å; V269-E322 HydrophobicContact CG1-CB 3.88Å; V269-E322 HydrophobicContact CG2-CB 3.62Å; L272-E322 HydrophobicContact CD1-CB 3.95Å; L318-E322 WeakPolarHBondContact CA-OE1 3.36Å; L318-E322 VanDerWaalsContact CB-OE1 3.31Å; L318-E322 WeakPolarHBondContact CB-OE1 3.36Å; L318-E322 HydrophobicContact CD2-CG 3.91Å; G319-E322 PolarHBondContact N-OE1 2.97Å; G319-E322 PolarHBondContact N-OE2 3.2Å; L320-E322 WeakPolarHBondContact CA-OE2 3.46Å; L320-E322 PolarHBondContact N-OE2 3.19Å; E322-V327 HydrophobicContact CB-CG2 4.16Å; E322-V327 HydrophobicContact CG-CG2 3.47Å; E322-V327 VanDerWaalsContact CG-CG2 3.47Å
323	K	97.9	Very high	98	Very high	150 Å²	150	40.1 Å²	40.1	65%	0.652	20%	0.197	S	C	*	.			trans	-89.7	151.1	172.3	-60	172.1	-175.6	173.8	0	109.9	K325 E326 V327	K323-K325 VanDerWaalsContact C-N 3.27Å; K323-K325 PolarHBondContact O-N 2.98Å; K323-E326 HydrophobicContact CB-CG 4.17Å; K323-E326 VanDerWaalsContact CB-OE2 3.28Å; K323-E326 WeakPolarHBondContact CB-OE2 3.47Å; K323-E326 WeakPolarHBondContact CG-OE2 3.39Å; K323-E326 PolarHBondContact N-OE2 2.9Å; K323-E326 WeakPolarHBondContact O-CA 3.32Å; K323-E326 WeakPolarHBondContact O-CB 3.49Å; K323-E326 PolarHBondContact O-N 3.39Å; K323-V327 PolarHBondContact O-N 2.99Å; K323-V327 VanDerWaalsContact O-N 3.08Å
324	E	97.3	Very high	98.1	Very high	95 Å²	95	39.8 Å²	39.8	44%	0.444	20%	0.195	S	C	.	.	H	α-helix	trans	-50.6	-44.5	175.9	178.5	174.3	155.6	0	0	113.5	E326 V327 M328 K365 W369	E324-E326 PolarHBondContact O-N 3.42Å; E324-V327 PolarHBondContact O-N 2.79Å; E324-M328 PolarHBondContact O-N 3.12Å; E324-K365 IonicContact OE1-NZ 3.38Å; E324-K365 PolarHBondContact OE1-NZ 3.29Å; E324-K365 WeakPolarHBondContact OE2-CE 3.31Å; E324-K365 IonicContact OE2-NZ 3.3Å; E324-K365 PolarHBondContact OE2-NZ 3.26Å; E324-W369 HydrophobicContact CB-CZ2 4.33Å; E324-W369 HydrophobicContact CG-CH2 3.72Å; E324-W369 HydrophobicContact CG-CZ2 3.79Å; E324-W369 WeakPolarHBondContact O-CH2 3.27Å
325	K	98.1	Very high	98.1	Very high	174 Å²	174	43.1 Å²	43.1	76%	0.757	21%	0.208	S	C	*	.	H	α-helix	trans	-59.7	-35.6	177	-68.1	-174	179.5	-177.6	0	112.5	K323 I329	K323-K325 VanDerWaalsContact C-N 3.27Å; K323-K325 PolarHBondContact O-N 2.98Å; K325-I329 WeakPolarHBondContact O-CD1 3.47Å; K325-I329 VanDerWaalsContact O-CG1 3.29Å; K325-I329 WeakPolarHBondContact O-CG1 3.47Å; K325-I329 PolarHBondContact O-N 3.36Å; K325-I329 VanDerWaalsContact O-N 3.09Å
326	E	98.5	Very high	98.1	Very high	49 Å²	49	50.7 Å²	50.7	23%	0.229	24%	0.242	C	C	.	.	H	α-helix	trans	-73.4	-37.3	179.5	-60.5	174.9	113	0	0	111.1	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 3.68Å; V269-E326 HydrophobicContact CG2-CB 4Å; S271-E326 WeakPolarHBondContact CB-OE1 3.25Å; S271-E326 PolarHBondContact OG-OE1 2.86Å; K323-E326 HydrophobicContact CB-CG 4.17Å; K323-E326 VanDerWaalsContact CB-OE2 3.28Å; K323-E326 WeakPolarHBondContact CB-OE2 3.47Å; K323-E326 WeakPolarHBondContact CG-OE2 3.39Å; K323-E326 PolarHBondContact N-OE2 2.9Å; K323-E326 WeakPolarHBondContact O-CA 3.32Å; K323-E326 WeakPolarHBondContact O-CB 3.49Å; K323-E326 PolarHBondContact O-N 3.39Å; E324-E326 PolarHBondContact O-N 3.42Å; E326-I329 PolarHBondContact O-N 2.96Å; E326-A330 WeakPolarHBondContact O-CB 3.5Å; E326-A330 PolarHBondContact O-N 3.49Å
327	V	98.5	Very high	98.1	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.012	25%	0.246	C	C	.	.	H	α-helix	trans	-64.6	-43.3	174	-180	0	0	0	0	110.7	V269 L318 E322 K323 E324 I329 A330 L331 W369	V269-V327 HydrophobicContact CG1-CG2 4.01Å; L318-V327 HydrophobicContact CD2-CG1 4.2Å; L318-V327 HydrophobicContact CD2-CG2 3.74Å; E322-V327 HydrophobicContact CB-CG2 4.16Å; E322-V327 HydrophobicContact CG-CG2 3.47Å; E322-V327 VanDerWaalsContact CG-CG2 3.47Å; K323-V327 PolarHBondContact O-N 2.99Å; K323-V327 VanDerWaalsContact O-N 3.08Å; E324-V327 PolarHBondContact O-N 2.79Å; V327-I329 VanDerWaalsContact C-N 3.34Å; V327-I329 PolarHBondContact O-N 3.28Å; V327-A330 PolarHBondContact O-N 3.48Å; V327-A330 VanDerWaalsContact O-N 3.16Å; V327-L331 HydrophobicContact CG1-CD1 4.41Å; V327-L331 WeakPolarHBondContact O-CG 3.26Å; V327-L331 PolarHBondContact O-N 3.29Å; V327-W369 HydrophobicContact CB-CH2 3.59Å; V327-W369 HydrophobicContact CB-CZ2 3.6Å; V327-W369 HydrophobicContact CB-CZ3 4.22Å; V327-W369 HydrophobicContact CG1-CD2 3.98Å; V327-W369 HydrophobicContact CG1-CE3 3.99Å; V327-W369 HydrophobicContact CG1-CH2 3.61Å; V327-W369 HydrophobicContact CG1-CZ2 3.55Å; V327-W369 HydrophobicContact CG1-CZ3 3.82Å; V327-W369 HydrophobicContact CG2-CZ2 4.26Å
328	M	98.4	Very high	98	Very high	40 Å²	40	50.9 Å²	50.9	20%	0.197	25%	0.251	C	S	.	.	H	α-helix	trans	-59.3	-43.1	174.5	178.2	64.6	70.3	0	0	112.2	E324 L331 K332 W369 I372	E324-M328 PolarHBondContact O-N 3.12Å; M328-L331 PolarHBondContact O-N 3.37Å; M328-K332 WeakPolarHBondContact O-CG 3.5Å; M328-K332 PolarHBondContact O-N 2.79Å; M328-K332 VanDerWaalsContact O-N 3.13Å; M328-W369 HydrophobicContact CB-CH2 4.4Å; M328-W369 HydrophobicContact CB-CZ3 4.32Å; M328-W369 HydrophobicContact CE-CZ3 4.2Å; 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 3.53Å; M328-I372 HydrophobicContact SD-CG2 3.72Å
329	I	98.5	Very high	98	Very high	74 Å²	74	50.8 Å²	50.8	38%	0.379	25%	0.25	S	S	.	.	H	α-helix	trans	-60.9	-47.2	174.3	-70.4	163.8	0	0	0	109.7	K325 E326 V327 L331 K332 D333	K325-I329 WeakPolarHBondContact O-CD1 3.47Å; K325-I329 VanDerWaalsContact O-CG1 3.29Å; K325-I329 WeakPolarHBondContact O-CG1 3.47Å; K325-I329 PolarHBondContact O-N 3.36Å; K325-I329 VanDerWaalsContact O-N 3.09Å; E326-I329 PolarHBondContact O-N 2.96Å; V327-I329 VanDerWaalsContact C-N 3.34Å; V327-I329 PolarHBondContact O-N 3.28Å; I329-L331 VanDerWaalsContact C-N 3.32Å; I329-L331 PolarHBondContact O-N 3.43Å; I329-K332 WeakPolarHBondContact O-CB 3.32Å; I329-K332 PolarHBondContact O-N 3.33Å; I329-D333 WeakPolarHBondContact CG2-OD2 3.32Å; I329-D333 PolarHBondContact O-N 2.97Å
330	A	98.7	Very high	98	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.008	25%	0.254	C	S	.	.	H	α-helix	trans	-61.4	-38.2	-179.6	0	0	0	0	0	113.9	I266 V269 Y283 I316 E326 V327 D333 L334	I266-A330 HydrophobicContact CD1-CB 4.1Å; V269-A330 HydrophobicContact CG1-CB 4.35Å; Y283-A330 WeakPolarHBondContact OH-CA 3.49Å; Y283-A330 WeakPolarHBondContact OH-CB 3.4Å; I316-A330 HydrophobicContact CD1-CB 3.9Å; E326-A330 WeakPolarHBondContact O-CB 3.5Å; E326-A330 PolarHBondContact O-N 3.49Å; V327-A330 PolarHBondContact O-N 3.48Å; V327-A330 VanDerWaalsContact O-N 3.16Å; A330-D333 PolarHBondContact O-N 3.19Å; A330-L334 WeakPolarHBondContact O-CB 3.39Å; A330-L334 VanDerWaalsContact O-CG 3.29Å; A330-L334 WeakPolarHBondContact O-CG 3.38Å; A330-L334 PolarHBondContact O-N 3.24Å
331	L	98.6	Very high	97.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.9	-40.6	173.6	-67.6	173.9	0	0	0	112	I316 V327 M328 I329 R335 V342 I344 W369 I372 L376 F378	I316-L331 HydrophobicContact CD1-CD2 3.95Å; I316-L331 HydrophobicContact CD1-CG 4.34Å; V327-L331 HydrophobicContact CG1-CD1 4.41Å; V327-L331 WeakPolarHBondContact O-CG 3.26Å; V327-L331 PolarHBondContact O-N 3.29Å; M328-L331 PolarHBondContact O-N 3.37Å; I329-L331 VanDerWaalsContact C-N 3.32Å; I329-L331 PolarHBondContact O-N 3.43Å; L331-R335 WeakPolarHBondContact O-CG 3.44Å; L331-R335 PolarHBondContact O-N 2.84Å; L331-R335 VanDerWaalsContact O-N 3.08Å; L331-V342 HydrophobicContact CD2-CG1 4.14Å; L331-V342 HydrophobicContact CD2-CG2 3.96Å; L331-I344 HydrophobicContact CD1-CD1 4.24Å; L331-I344 HydrophobicContact CD2-CD1 3.91Å; L331-W369 HydrophobicContact CD1-CE3 3.6Å; L331-W369 HydrophobicContact CD1-CZ3 3.92Å; L331-I372 HydrophobicContact CD1-CG2 3.95Å; L331-L376 HydrophobicContact CB-CD1 3.63Å; L331-F378 HydrophobicContact CB-CE2 4.36Å; L331-F378 HydrophobicContact CD2-CE2 4.09Å; L331-F378 HydrophobicContact CD2-CZ 4.38Å
332	K	98.6	Very high	97.8	Very high	111 Å²	111	49 Å²	49	48%	0.483	23%	0.231	S	C	.	.	H	α-helix	trans	-64.9	-43.2	175.3	-71.7	178	179.7	-173.3	0	111.9	M328 I329 L334 R335 Q336 L376	M328-K332 WeakPolarHBondContact O-CG 3.5Å; M328-K332 PolarHBondContact O-N 2.79Å; M328-K332 VanDerWaalsContact O-N 3.13Å; I329-K332 WeakPolarHBondContact O-CB 3.32Å; I329-K332 PolarHBondContact O-N 3.33Å; K332-L334 PolarHBondContact O-N 2.84Å; K332-R335 PolarHBondContact O-N 3.31Å; K332-Q336 WeakPolarHBondContact O-CB 3.36Å; K332-Q336 PolarHBondContact O-N 2.85Å; K332-L376 HydrophobicContact CG-CD1 4.28Å; K332-L376 HydrophobicContact CG-CD2 3.93Å
333	D	98.7	Very high	97.7	Very high	27 Å²	27	48 Å²	48	14%	0.144	23%	0.227	C	C	.	.	H	α-helix	trans	-62.9	-42.6	178.5	-63	-19.4	0	0	0	111.3	Y283 L287 I329 A330 R335 Q336 A337	Y283-D333 VanDerWaalsContact CE1-OD2 3.29Å; Y283-D333 WeakPolarHBondContact CE1-OD2 3.29Å; Y283-D333 PolarHBondContact OH-OD2 2.97Å; L287-D333 HydrophobicContact CD1-CB 3.91Å; L287-D333 HydrophobicContact CD2-CB 4.34Å; I329-D333 WeakPolarHBondContact CG2-OD2 3.32Å; I329-D333 PolarHBondContact O-N 2.97Å; A330-D333 PolarHBondContact O-N 3.19Å; D333-R335 PolarHBondContact O-N 2.97Å; D333-Q336 PolarHBondContact O-N 3.11Å; D333-A337 WeakPolarHBondContact O-CB 3.5Å; D333-A337 PolarHBondContact O-N 2.93Å
334	L	98.7	Very high	97.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.3	-45.6	174	-76.2	172.5	0	0	0	111.4	I266 L287 L290 I316 A330 K332 A337 G338 V339 V342 F378	I266-L334 HydrophobicContact CD1-CD1 3.75Å; I266-L334 HydrophobicContact CD1-CD2 4.01Å; I266-L334 HydrophobicContact CD1-CG 3.85Å; I266-L334 HydrophobicContact CG1-CD1 4.32Å; I266-L334 HydrophobicContact CG1-CD2 4.27Å; I266-L334 HydrophobicContact CG2-CD2 3.95Å; L287-L334 HydrophobicContact CD2-CD2 3.83Å; L287-L334 HydrophobicContact CD2-CG 4.33Å; L290-L334 HydrophobicContact CD1-CD2 3.96Å; I316-L334 HydrophobicContact CD1-CD1 4.13Å; I316-L334 HydrophobicContact CG1-CD1 4.39Å; A330-L334 WeakPolarHBondContact O-CB 3.39Å; A330-L334 VanDerWaalsContact O-CG 3.29Å; A330-L334 WeakPolarHBondContact O-CG 3.38Å; A330-L334 PolarHBondContact O-N 3.24Å; K332-L334 PolarHBondContact O-N 2.84Å; L334-A337 PolarHBondContact O-N 3.02Å; L334-G338 PolarHBondContact O-N 3.42Å; L334-V339 HydrophobicContact CB-CB 4.21Å; L334-V339 HydrophobicContact CB-CG2 4.27Å; L334-V339 HydrophobicContact CD2-CB 4.48Å; L334-V339 HydrophobicContact CD2-CG2 3.9Å; L334-V339 WeakPolarHBondContact O-CB 3.42Å; L334-V339 WeakPolarHBondContact O-CG2 3.38Å; L334-V339 PolarHBondContact O-N 3.34Å; L334-V342 HydrophobicContact CD1-CG2 3.81Å; L334-F378 HydrophobicContact CB-CE1 4.17Å; L334-F378 HydrophobicContact CB-CZ 3.86Å
335	R	98.1	Very high	97.7	Very high	70 Å²	70	36.5 Å²	36.5	26%	0.264	18%	0.176	S	C	.	.	H	α-helix	trans	-63.2	-42.7	175.6	-70.6	-56.1	-61.1	117.8	-3.1	112.6	L331 K332 D333 A337 G338 V339 L376 G377 F378	L331-R335 WeakPolarHBondContact O-CG 3.44Å; L331-R335 PolarHBondContact O-N 2.84Å; L331-R335 VanDerWaalsContact O-N 3.08Å; K332-R335 PolarHBondContact O-N 3.31Å; D333-R335 PolarHBondContact O-N 2.97Å; R335-A337 VanDerWaalsContact C-N 3.26Å; R335-A337 PolarHBondContact O-N 2.94Å; R335-G338 WeakPolarHBondContact O-CA 3.31Å; R335-G338 PolarHBondContact O-N 3.39Å; R335-V339 PolarHBondContact NH1-O 3.07Å; R335-L376 HydrophobicContact CG-CB 4Å; R335-L376 PolarHBondContact NE-O 3.32Å; R335-L376 VanDerWaalsContact NE-O 3.07Å; R335-G377 VanDerWaalsContact CZ-O 3.27Å; R335-G377 PolarHBondContact NE-O 3.49Å; R335-G377 PolarHBondContact NH2-O 3.44Å; R335-F378 VanDerWaalsContact CD-CD2 3.49Å; R335-F378 VanDerWaalsContact CD-CE2 3.43Å; R335-F378 VanDerWaalsContact CD-CG 3.41Å; R335-F378 HydrophobicContact CG-CD1 4.38Å; R335-F378 HydrophobicContact CG-CD2 4.03Å; R335-F378 HydrophobicContact CG-CE1 3.94Å; R335-F378 HydrophobicContact CG-CE2 3.53Å; R335-F378 HydrophobicContact CG-CG 4.42Å; R335-F378 HydrophobicContact CG-CZ 3.48Å; R335-F378 VanDerWaalsContact CG-CZ 3.48Å
336	Q	97.8	Very high	97.6	Very high	165 Å²	165	28.4 Å²	28.4	77%	0.771	14%	0.141	S	C	*	.	H	α-helix	trans	-61.4	-36.5	177.2	-173.5	174.3	16.1	0	0	111.6	K332 D333 G338	K332-Q336 WeakPolarHBondContact O-CB 3.36Å; K332-Q336 PolarHBondContact O-N 2.85Å; D333-Q336 PolarHBondContact O-N 3.11Å; Q336-G338 PolarHBondContact O-N 3.22Å
337	A	97.7	Very high	97.5	Very high	10 Å²	10	26.2 Å²	26.2	8%	0.083	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	5.5	172.8	0	0	0	0	0	114	L287 E291 D333 L334 R335 V339	L287-A337 HydrophobicContact CD2-CB 4.31Å; E291-A337 HydrophobicContact CB-CB 4.41Å; D333-A337 WeakPolarHBondContact O-CB 3.5Å; D333-A337 PolarHBondContact O-N 2.93Å; L334-A337 PolarHBondContact O-N 3.02Å; R335-A337 VanDerWaalsContact C-N 3.26Å; R335-A337 PolarHBondContact O-N 2.94Å; A337-V339 HydrophobicContact CB-CG2 4.42Å
338	G	96.5	Very high	97.1	Very high	23 Å²	23	28.2 Å²	28.2	24%	0.237	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	22.7	177.2	0	0	0	0	0	114.6	T312 L334 R335 Q336 D340	T312-G338 PolarHBondContact OG1-O 2.93Å; L334-G338 PolarHBondContact O-N 3.42Å; R335-G338 WeakPolarHBondContact O-CA 3.31Å; R335-G338 PolarHBondContact O-N 3.39Å; Q336-G338 PolarHBondContact O-N 3.22Å; G338-D340 PolarHBondContact O-N 2.85Å
339	V	97.8	Very high	96.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.			trans	-73.4	120.5	-180	179.7	0	0	0	0	110.9	L290 T312 L334 R335 A337 C341 F378	L290-V339 HydrophobicContact CB-CG2 3.88Å; L290-V339 HydrophobicContact CD1-CG2 3.64Å; L290-V339 HydrophobicContact CG-CG2 4.21Å; T312-V339 VanDerWaalsContact OG1-CA 3.31Å; T312-V339 WeakPolarHBondContact OG1-CA 3.14Å; L334-V339 HydrophobicContact CB-CB 4.21Å; L334-V339 HydrophobicContact CB-CG2 4.27Å; L334-V339 HydrophobicContact CD2-CB 4.48Å; L334-V339 HydrophobicContact CD2-CG2 3.9Å; L334-V339 WeakPolarHBondContact O-CB 3.42Å; L334-V339 WeakPolarHBondContact O-CG2 3.38Å; L334-V339 PolarHBondContact O-N 3.34Å; R335-V339 PolarHBondContact NH1-O 3.07Å; A337-V339 HydrophobicContact CB-CG2 4.42Å; V339-C341 VanDerWaalsContact CG1-O 3.29Å; V339-C341 WeakPolarHBondContact CG1-O 3.29Å; V339-F378 HydrophobicContact CB-CE1 4.24Å; V339-F378 HydrophobicContact CG1-CE1 4.14Å; V339-F378 WeakPolarHBondContact O-CD1 3.26Å; V339-F378 WeakPolarHBondContact O-CE1 3.36Å
340	D	96.1	Very high	96.4	Very high	15 Å²	15	26.3 Å²	26.3	8%	0.08	13%	0.134	C	C	.	.			trans	-76.3	-39.9	-175.8	-60.4	-60.8	0	0	0	113.2	K294 I311 T312 G338 F378 L379	K294-D340 IonicContact NZ-OD1 3.86Å; K294-D340 PolarHBondContact NZ-OD1 3.3Å; K294-D340 IonicContact NZ-OD2 3.42Å; K294-D340 PolarHBondContact NZ-OD2 3.19Å; I311-D340 VanDerWaalsContact CA-OD2 3.31Å; I311-D340 WeakPolarHBondContact CA-OD2 3.47Å; I311-D340 HydrophobicContact CG2-CB 3.84Å; T312-D340 PolarHBondContact N-OD2 3.28Å; T312-D340 WeakPolarHBondContact O-CA 3.5Å; T312-D340 WeakPolarHBondContact O-CB 3.11Å; T312-D340 PolarHBondContact O-N 3.29Å; T312-D340 PolarHBondContact OG1-N 3.4Å; T312-D340 VanDerWaalsContact OG1-N 3.11Å; T312-D340 PolarHBondContact OG1-OD2 2.91Å; G338-D340 PolarHBondContact O-N 2.85Å; D340-F378 CarbonylContact O-C 3.55Å; D340-F378 WeakPolarHBondContact O-CA 3.33Å; D340-L379 HydrophobicContact CB-CD1 3.76Å; D340-L379 HydrophobicContact CB-CG 4.04Å; D340-L379 PolarHBondContact O-N 2.94Å
341	C	95.4	Very high	95.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	143.8	-173.3	-60	0	0	0	0	111.9	T312 K313 S314 V339 Y380	T312-C341 PolarHBondContact O-N 3.36Å; K313-C341 CarbonylContact C-O 3.55Å; K313-C341 VanDerWaalsContact CA-O 3.27Å; K313-C341 WeakPolarHBondContact CA-O 3.45Å; K313-C341 HydrophobicContact CB-CB 4.06Å; K313-C341 HydrophobicContact CD-CB 4.4Å; K313-C341 HydrophobicContact CG-CB 3.85Å; S314-C341 PolarHBondContact N-O 3.47Å; V339-C341 VanDerWaalsContact CG1-O 3.29Å; V339-C341 WeakPolarHBondContact CG1-O 3.29Å; C341-Y380 WeakPolarHBondContact CA-O 3.27Å
342	V	96.5	Very high	95.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	144.3	175.1	71	0	0	0	0	111.9	S314 L331 L334 I344 F378 Y380 T381 A382	S314-V342 WeakPolarHBondContact O-CA 3.48Å; L331-V342 HydrophobicContact CD2-CG1 4.14Å; L331-V342 HydrophobicContact CD2-CG2 3.96Å; L334-V342 HydrophobicContact CD1-CG2 3.81Å; V342-I344 HydrophobicContact CG2-CG1 4.37Å; V342-F378 HydrophobicContact CB-CD1 4.02Å; V342-F378 HydrophobicContact CB-CD2 4.47Å; V342-F378 HydrophobicContact CB-CE1 3.77Å; V342-F378 HydrophobicContact CB-CE2 4.28Å; V342-F378 HydrophobicContact CB-CG 4.38Å; V342-F378 HydrophobicContact CB-CZ 3.92Å; V342-F378 HydrophobicContact CG1-CD1 3.97Å; V342-F378 HydrophobicContact CG1-CD2 3.65Å; V342-F378 HydrophobicContact CG1-CE1 4Å; V342-F378 HydrophobicContact CG1-CE2 3.7Å; V342-F378 HydrophobicContact CG1-CG 3.81Å; V342-F378 HydrophobicContact CG1-CZ 3.87Å; V342-F378 HydrophobicContact CG2-CZ 4.5Å; V342-Y380 PolarHBondContact N-O 2.74Å; V342-T381 HydrophobicContact CG1-CG2 3.87Å; V342-T381 WeakPolarHBondContact O-CA 3.45Å; V342-A382 PolarHBondContact O-N 3.08Å
343	T	96.2	Very high	95.2	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.018	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.9	173.5	58.4	0	0	0	0	109.9	S314 S315 I316 A382 V387	S314-T343 PolarHBondContact O-N 3.03Å; S314-T343 PolarHBondContact O-OG1 3.01Å; S315-T343 CarbonylContact C-O 3.6Å; S315-T343 VanDerWaalsContact CA-O 3.25Å; S315-T343 WeakPolarHBondContact CA-O 3.48Å; S315-T343 WeakPolarHBondContact CA-OG1 3.31Å; S315-T343 WeakPolarHBondContact CB-OG1 3.42Å; S315-T343 PolarHBondContact OG-O 2.92Å; S315-T343 PolarHBondContact OG-OG1 3.03Å; I316-T343 PolarHBondContact N-O 3.21Å; T343-A382 CarbonylContact C-O 3.59Å; T343-A382 VanDerWaalsContact CA-O 3.27Å; T343-A382 WeakPolarHBondContact CA-O 3.31Å; T343-A382 HydrophobicContact CG2-CB 4.08Å; T343-V387 HydrophobicContact CG2-CG1 4.41Å
344	I	97.5	Very high	95	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	112.1	-177.1	-53.6	171.8	0	0	0	107.8	I316 L318 L331 V342 F366 W369 T381 A382 S383 G384	I316-I344 WeakPolarHBondContact O-CA 3.41Å; L318-I344 HydrophobicContact CD1-CG2 3.61Å; L318-I344 HydrophobicContact CD2-CG2 4.33Å; L318-I344 HydrophobicContact CG-CG2 3.8Å; L331-I344 HydrophobicContact CD1-CD1 4.24Å; L331-I344 HydrophobicContact CD2-CD1 3.91Å; V342-I344 HydrophobicContact CG2-CG1 4.37Å; I344-F366 HydrophobicContact CG2-CD1 4.23Å; I344-F366 HydrophobicContact CG2-CE1 4.27Å; I344-W369 HydrophobicContact CD1-CB 3.69Å; I344-W369 HydrophobicContact CD1-CG 4.34Å; I344-T381 HydrophobicContact CD1-CG2 4.38Å; I344-A382 PolarHBondContact N-O 2.65Å; I344-S383 WeakPolarHBondContact O-CA 3.31Å; I344-G384 PolarHBondContact O-N 2.74Å
345	G	96.1	Very high	94.8	Very high	3 Å²	3	46.3 Å²	46.3	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	163.1	-171.8	0	0	0	0	0	113.4	I316 M317 L318 G384 V387	I316-G345 PolarHBondContact O-N 3.11Å; M317-G345 CarbonylContact C-O 3.57Å; M317-G345 WeakPolarHBondContact CA-O 3.39Å; L318-G345 PolarHBondContact N-O 2.68Å; G345-G384 WeakPolarHBondContact CA-O 3.43Å; G345-V387 WeakPolarHBondContact CA-O 3.33Å
346	Q	96.7	Very high	94.7	Very high	3 Å²	3	48.7 Å²	48.7	1%	0.014	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	132	171	175	67.2	55.6	0	0	110.2	L108 L318 V348 E359 Y360 F366 P385	L108-Q346 HydrophobicContact CD1-CG 3.81Å; L108-Q346 HydrophobicContact CD2-CB 4.11Å; L108-Q346 HydrophobicContact CD2-CG 4.1Å; L318-Q346 PolarHBondContact O-NE2 2.88Å; Q346-V348 HydrophobicContact CG-CG2 4.35Å; Q346-V348 PolarHBondContact O-N 3.07Å; Q346-E359 PolarHBondContact NE2-O 3.42Å; Q346-E359 VanDerWaalsContact NE2-O 3.08Å; Q346-Y360 HydrophobicContact CG-CD1 4.31Å; Q346-F366 HydrophobicContact CB-CZ 3.95Å; Q346-P385 HydrophobicContact CB-CB 4.47Å; Q346-P385 VanDerWaalsContact CB-O 3.23Å; Q346-P385 WeakPolarHBondContact CB-O 3.36Å; Q346-P385 PolarHBondContact N-O 2.83Å; Q346-P385 VanDerWaalsContact N-O 3.16Å
347	Y	95.7	Very high	94.5	Very high	3 Å²	3	41.5 Å²	41.5	1%	0.012	20%	0.198	C	C	.	.			trans	-65.8	121.5	163.9	171.5	-117.3	0	0	0	110.1	F171 M317 L318 L320 Q349 L355 V357	F171-Y347 HydrophobicContact CB-CD2 4.19Å; F171-Y347 HydrophobicContact CB-CE2 3.67Å; M317-Y347 HydrophobicContact SD-CD2 4.27Å; L318-Y347 VanDerWaalsContact O-CB 3.29Å; L318-Y347 WeakPolarHBondContact O-CB 3.47Å; L318-Y347 PolarHBondContact O-N 3.24Å; L320-Y347 HydrophobicContact CD2-CD1 3.4Å; L320-Y347 VanDerWaalsContact CD2-CD1 3.4Å; L320-Y347 HydrophobicContact CD2-CD2 4.23Å; L320-Y347 HydrophobicContact CD2-CE1 3.72Å; L320-Y347 HydrophobicContact CD2-CG 3.68Å; L320-Y347 HydrophobicContact CG-CD1 4.03Å; L320-Y347 HydrophobicContact CG-CG 3.99Å; Y347-Q349 HydrophobicContact CE1-CB 4.24Å; Y347-L355 HydrophobicContact CE1-CB 4.22Å; Y347-L355 VanDerWaalsContact CE1-O 3.22Å; Y347-L355 WeakPolarHBondContact CE1-O 3.36Å; Y347-L355 PolarHBondContact OH-N 3.48Å; Y347-L355 PolarHBondContact OH-O 3Å; Y347-V357 HydrophobicContact CD1-CG2 3.92Å; Y347-V357 HydrophobicContact CE1-CG2 4Å
348	V	91.3	Very high	94.4	Very high	45 Å²	45	47 Å²	47	27%	0.273	22%	0.22	S	C	.	.			trans	-113.4	120.3	172.6	-179.6	0	0	0	0	108	Q346 P350	Q346-V348 HydrophobicContact CG-CG2 4.35Å; Q346-V348 PolarHBondContact O-N 3.07Å; V348-P350 VanDerWaalsContact O-CD 3.25Å; V348-P350 WeakPolarHBondContact O-CD 3.18Å
349	Q	91.3	Very high	94.4	Very high	46 Å²	46	48.7 Å²	48.7	22%	0.215	22%	0.222	C	C	.	.			trans	-64.4	118.5	-177.1	-178.9	179.1	24.9	0	0	111.3	Y347 T351 H354 L355 V357	Y347-Q349 HydrophobicContact CE1-CB 4.24Å; Q349-T351 WeakPolarHBondContact CG-O 3.42Å; Q349-T351 PolarHBondContact NE2-O 3.07Å; Q349-H354 HydrophobicContact CG-CB 4.23Å; Q349-H354 PolarHBondContact NE2-O 2.85Å; Q349-L355 VanDerWaalsContact CG-O 3.3Å; Q349-L355 WeakPolarHBondContact CG-O 3.31Å; Q349-L355 PolarHBondContact NE2-O 2.85Å; Q349-V357 HydrophobicContact CB-CG2 3.99Å
350	P	89.7	Confident	94.3	Very high	28 Å²	28	49.9 Å²	49.9	18%	0.182	23%	0.226	C	C	.	.	S	Bend	trans	-69	-39.5	-176.1	-23.1	33.6	0	0	0	114	F171 V348	F171-P350 WeakPolarHBondContact O-CG 3.19Å; V348-P350 VanDerWaalsContact O-CD 3.25Å; V348-P350 WeakPolarHBondContact O-CD 3.18Å
351	T	89.6	Confident	94.4	Very high	39 Å²	39	49.8 Å²	49.8	24%	0.239	23%	0.226	C	C	.	.	S	Bend	trans	-149	163.5	176.9	83.5	0	0	0	0	110.1	Q349 R353 H354	Q349-T351 WeakPolarHBondContact CG-O 3.42Å; Q349-T351 PolarHBondContact NE2-O 3.07Å; T351-R353 PolarHBondContact O-N 3.2Å; T351-R353 PolarHBondContact OG1-N 3.42Å; T351-H354 PolarHBondContact N-ND1 3.11Å; T351-H354 PolarHBondContact O-N 3.47Å; T351-H354 PolarHBondContact OG1-CE1 3.26Å; T351-H354 VanDerWaalsContact OG1-CE1 3.26Å; T351-H354 PolarHBondContact OG1-ND1 2.86Å
352	K	90.9	Very high	94.4	Very high	208 Å²	208	53.2 Å²	53.2	90%	0.904	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-15.7	176.9	-63.9	-177.3	-179.7	177.3	0	114.7
353	R	91.1	Very high	94.4	Very high	238 Å²	238	54.9 Å²	54.9	90%	0.898	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-18.8	178.2	-61.4	-178	-178.8	175.4	-0.2	113.5	T351	T351-R353 PolarHBondContact O-N 3.2Å; T351-R353 PolarHBondContact OG1-N 3.42Å
354	H	94.1	Very high	94.4	Very high	37 Å²	37	59.2 Å²	59.2	17%	0.171	28%	0.276	C	S	.	.	S	Bend	trans	-85.5	173.7	-179.8	-61.5	88.9	0	0	0	111.3	R170 C172 S173 Q349 T351 K356	R170-H354 WeakPolarHBondContact O-CA 3.48Å; R170-H354 WeakPolarHBondContact O-CB 3.1Å; C172-H354 PolarHBondContact O-CD2 2.89Å; C172-H354 VanDerWaalsContact O-CD2 3.27Å; C172-H354 PolarHBondContact O-NE2 3.3Å; S173-H354 WeakPolarHBondContact CA-NE2 3.19Å; Q349-H354 HydrophobicContact CG-CB 4.23Å; Q349-H354 PolarHBondContact NE2-O 2.85Å; T351-H354 PolarHBondContact N-ND1 3.11Å; T351-H354 PolarHBondContact O-N 3.47Å; T351-H354 PolarHBondContact OG1-CE1 3.26Å; T351-H354 VanDerWaalsContact OG1-CE1 3.26Å; T351-H354 PolarHBondContact OG1-ND1 2.86Å; H354-K356 PolarHBondContact O-N 3.42Å
355	L	94.8	Very high	94.4	Very high	37 Å²	37	62 Å²	62	19%	0.194	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-51.8	137.5	177.6	-68.6	178	0	0	0	111.7	R170 V275 V276 L320 Y347 Q349	R170-L355 HydrophobicContact CB-CD1 3.92Å; R170-L355 HydrophobicContact CB-CD2 4.08Å; R170-L355 HydrophobicContact CB-CG 3.65Å; R170-L355 PolarHBondContact O-N 3.42Å; R170-L355 VanDerWaalsContact O-N 3.09Å; V275-L355 HydrophobicContact CG1-CD2 4.48Å; V276-L355 HydrophobicContact CB-CD1 4.31Å; V276-L355 HydrophobicContact CG2-CD1 3.95Å; L320-L355 HydrophobicContact CD2-CB 4.34Å; L320-L355 HydrophobicContact CD2-CD1 4Å; Y347-L355 HydrophobicContact CE1-CB 4.22Å; Y347-L355 VanDerWaalsContact CE1-O 3.22Å; Y347-L355 WeakPolarHBondContact CE1-O 3.36Å; Y347-L355 PolarHBondContact OH-N 3.48Å; Y347-L355 PolarHBondContact OH-O 3Å; Q349-L355 VanDerWaalsContact CG-O 3.3Å; Q349-L355 WeakPolarHBondContact CG-O 3.31Å; Q349-L355 PolarHBondContact NE2-O 2.85Å
356	K	95	Very high	94.5	Very high	120 Å²	120	61.9 Å²	61.9	52%	0.522	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-71.3	137.7	172.7	-67.6	-177	178.1	178.1	0	109.1	G99 H354 K358	G99-K356 PolarHBondContact O-NZ 3.03Å; H354-K356 PolarHBondContact O-N 3.42Å; K356-K358 PolarHBondContact O-N 2.86Å
357	V	95.1	Very high	94.4	Very high	14 Å²	14	65.2 Å²	65.2	9%	0.085	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-59.9	127.4	167.3	-174.2	0	0	0	0	108.3	Y347 Q349 E359 Y360	Y347-V357 HydrophobicContact CD1-CG2 3.92Å; Y347-V357 HydrophobicContact CE1-CG2 4Å; Q349-V357 HydrophobicContact CB-CG2 3.99Å; V357-E359 VanDerWaalsContact CG1-O 3.22Å; V357-E359 WeakPolarHBondContact CG1-O 3.37Å; V357-Y360 HydrophobicContact CB-CE1 4.33Å; V357-Y360 HydrophobicContact CG1-CD1 3.91Å; V357-Y360 HydrophobicContact CG1-CE1 3.79Å; V357-Y360 HydrophobicContact CG1-CG 4.36Å; V357-Y360 HydrophobicContact CG2-CE1 4.15Å
358	K	95.9	Very high	94.5	Very high	125 Å²	125	69 Å²	69	54%	0.543	32%	0.319	S	S	.	.			trans	-84.9	-36.9	177.7	-67.1	-61.7	-171.4	169.8	0	112	G319 L320 K356	G319-K358 PolarHBondContact O-N 3.19Å; L320-K358 VanDerWaalsContact O-CG 3.31Å; L320-K358 WeakPolarHBondContact O-CG 3.22Å; K356-K358 PolarHBondContact O-N 2.86Å
359	E	95.3	Very high	94.9	Very high	59 Å²	59	67 Å²	67	28%	0.276	31%	0.307	S	S	.	.			trans	-152.6	141.2	-178.9	-170.2	175.9	170.7	0	0	109.4	S93 G319 Q346 V357 I361	S93-E359 WeakPolarHBondContact CB-OE1 3.38Å; G319-E359 WeakPolarHBondContact CA-O 3.47Å; Q346-E359 PolarHBondContact NE2-O 3.42Å; Q346-E359 VanDerWaalsContact NE2-O 3.08Å; V357-E359 VanDerWaalsContact CG1-O 3.22Å; V357-E359 WeakPolarHBondContact CG1-O 3.37Å; E359-I361 HydrophobicContact CB-CD1 4.17Å; E359-I361 HydrophobicContact CG-CD1 3.91Å
360	Y	96.6	Very high	95.1	Very high	25 Å²	25	65.8 Å²	65.8	10%	0.098	30%	0.304	C	S	.	.			trans	-93.8	111.4	163.9	-69.4	-64.4	0	0	0	108.7	L102 R103 L104 P105 L108 Q346 V357	L102-Y360 HydrophobicContact CB-CD2 3.92Å; L102-Y360 HydrophobicContact CB-CE2 3.45Å; L102-Y360 VanDerWaalsContact CB-CE2 3.45Å; L102-Y360 HydrophobicContact CD1-CD2 4.15Å; L102-Y360 HydrophobicContact CD1-CE2 4.31Å; R103-Y360 WeakPolarHBondContact O-CE2 3.33Å; L104-Y360 HydrophobicContact CD1-CE1 3.81Å; P105-Y360 HydrophobicContact CG-CD1 4.33Å; P105-Y360 HydrophobicContact CG-CD2 4.27Å; P105-Y360 HydrophobicContact CG-CG 3.92Å; L108-Y360 HydrophobicContact CD1-CD1 3.32Å; L108-Y360 HydrophobicContact CD1-CE1 3.75Å; L108-Y360 HydrophobicContact CD1-CG 4.16Å; Q346-Y360 HydrophobicContact CG-CD1 4.31Å; V357-Y360 HydrophobicContact CB-CE1 4.33Å; V357-Y360 HydrophobicContact CG1-CD1 3.91Å; V357-Y360 HydrophobicContact CG1-CE1 3.79Å; V357-Y360 HydrophobicContact CG1-CG 4.36Å; V357-Y360 HydrophobicContact CG2-CE1 4.15Å
361	I	96.7	Very high	95.4	Very high	12 Å²	12	70.8 Å²	70.8	6%	0.062	32%	0.323	C	S	.	.			trans	-73.1	132.9	-175.8	-55.1	-56.2	0	0	0	109.4	W107 L318 E359 K365 F366	W107-I361 PolarHBondContact NE1-O 2.79Å; L318-I361 HydrophobicContact CB-CG1 3.81Å; L318-I361 HydrophobicContact CD1-CG2 4.48Å; E359-I361 HydrophobicContact CB-CD1 4.17Å; E359-I361 HydrophobicContact CG-CD1 3.91Å; I361-K365 HydrophobicContact CG2-CB 3.58Å; I361-K365 HydrophobicContact CG2-CG 3.8Å; I361-F366 HydrophobicContact CB-CD2 4.48Å; I361-F366 HydrophobicContact CB-CE2 3.61Å; I361-F366 HydrophobicContact CB-CZ 3.9Å; I361-F366 HydrophobicContact CG2-CD2 4.01Å; I361-F366 HydrophobicContact CG2-CE2 3.61Å; I361-F366 HydrophobicContact CG2-CZ 4.05Å
362	H	96.1	Very high	95.8	Very high	73 Å²	73	70.1 Å²	70.1	34%	0.338	32%	0.318	S	S	.	.			trans	-68.6	143.2	177.9	-167.4	-93.9	0	0	0	111	D364 K365	H362-D364 VanDerWaalsContact C-N 3.3Å; H362-D364 IonicContact CE1-OD1 3.13Å; H362-D364 PolarHBondContact CE1-OD1 3.24Å; H362-D364 VanDerWaalsContact CE1-OD1 3.3Å; H362-D364 IonicContact CE1-OD2 3.83Å; H362-D364 PolarHBondContact CE1-OD2 3.43Å; H362-D364 PolarHBondContact ND1-N 2.91Å; H362-D364 IonicContact ND1-OD1 3.09Å; H362-D364 PolarHBondContact ND1-OD1 3.17Å; H362-D364 IonicContact ND1-OD2 2.94Å; H362-D364 PolarHBondContact ND1-OD2 3.14Å; H362-D364 VanDerWaalsContact ND1-OD2 3.09Å; H362-D364 PolarHBondContact O-N 3.01Å; H362-K365 WeakPolarHBondContact O-CB 3.26Å; H362-K365 PolarHBondContact O-N 3Å
363	P	95.9	Very high	96.1	Very high	35 Å²	35	60.2 Å²	60.2	23%	0.227	28%	0.275	C	S	.	.	H	α-helix	trans	-47.3	-44.5	177.7	-31.6	37.1	0	0	0	114.9	W107 K365 F366 D367 P385	W107-P363 HydrophobicContact CB-CG 3.96Å; W107-P363 HydrophobicContact CD2-CG 4.21Å; W107-P363 HydrophobicContact CG-CG 3.75Å; P363-K365 PolarHBondContact O-N 3.47Å; P363-F366 WeakPolarHBondContact O-CA 3.13Å; P363-F366 VanDerWaalsContact O-CB 3.29Å; P363-F366 WeakPolarHBondContact O-CB 3.4Å; P363-F366 PolarHBondContact O-N 3.49Å; P363-D367 PolarHBondContact O-N 3.15Å; P363-D367 VanDerWaalsContact O-N 3.13Å; P363-P385 HydrophobicContact CB-CG 4.46Å; P363-P385 HydrophobicContact CG-CG 4.11Å
364	D	97	Very high	96.2	Very high	94 Å²	94	53.1 Å²	53.1	50%	0.503	26%	0.255	S	S	.	.	H	α-helix	trans	-56	-29.9	179.1	-50.1	-10.6	0	0	0	113.4	H362 F366 D367 Y368	H362-D364 VanDerWaalsContact C-N 3.3Å; H362-D364 IonicContact CE1-OD1 3.13Å; H362-D364 PolarHBondContact CE1-OD1 3.24Å; H362-D364 VanDerWaalsContact CE1-OD1 3.3Å; H362-D364 IonicContact CE1-OD2 3.83Å; H362-D364 PolarHBondContact CE1-OD2 3.43Å; H362-D364 PolarHBondContact ND1-N 2.91Å; H362-D364 IonicContact ND1-OD1 3.09Å; H362-D364 PolarHBondContact ND1-OD1 3.17Å; H362-D364 IonicContact ND1-OD2 2.94Å; H362-D364 PolarHBondContact ND1-OD2 3.14Å; H362-D364 VanDerWaalsContact ND1-OD2 3.09Å; H362-D364 PolarHBondContact O-N 3.01Å; D364-F366 VanDerWaalsContact C-N 3.34Å; D364-D367 PolarHBondContact O-N 3.4Å; D364-Y368 PolarHBondContact O-N 3.15Å
365	K	97.3	Very high	96.3	Very high	57 Å²	57	56.7 Å²	56.7	25%	0.248	28%	0.275	C	S	.	.	H	α-helix	trans	-72.8	-31.8	177.4	-168.8	59.1	170	179.6	0	111.4	E324 I361 H362 P363 Y368 W369	E324-K365 IonicContact OE1-NZ 3.38Å; E324-K365 PolarHBondContact OE1-NZ 3.29Å; E324-K365 WeakPolarHBondContact OE2-CE 3.31Å; E324-K365 IonicContact OE2-NZ 3.3Å; E324-K365 PolarHBondContact OE2-NZ 3.26Å; I361-K365 HydrophobicContact CG2-CB 3.58Å; I361-K365 HydrophobicContact CG2-CG 3.8Å; H362-K365 WeakPolarHBondContact O-CB 3.26Å; H362-K365 PolarHBondContact O-N 3Å; P363-K365 PolarHBondContact O-N 3.47Å; K365-Y368 HydrophobicContact CD-CD1 4.02Å; K365-Y368 HydrophobicContact CD-CG 4.46Å; K365-Y368 WeakPolarHBondContact O-CB 3.26Å; K365-Y368 PolarHBondContact O-N 2.9Å; K365-W369 PolarHBondContact O-N 2.96Å; K365-W369 VanDerWaalsContact O-N 3.08Å
366	F	97.4	Very high	96.5	Very high	1 Å²	1	57.2 Å²	57.2	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-67.6	-40	170.7	-69.9	-81.5	0	0	0	111.2	L318 I344 Q346 I361 P363 D364 Y368 W369 A370 S383 P385	L318-F366 HydrophobicContact CD1-CD1 4.4Å; L318-F366 HydrophobicContact CD1-CE1 3.91Å; L318-F366 HydrophobicContact CD1-CZ 4.36Å; L318-F366 HydrophobicContact CG-CE1 4.43Å; I344-F366 HydrophobicContact CG2-CD1 4.23Å; I344-F366 HydrophobicContact CG2-CE1 4.27Å; Q346-F366 HydrophobicContact CB-CZ 3.95Å; I361-F366 HydrophobicContact CB-CD2 4.48Å; I361-F366 HydrophobicContact CB-CE2 3.61Å; I361-F366 HydrophobicContact CB-CZ 3.9Å; I361-F366 HydrophobicContact CG2-CD2 4.01Å; I361-F366 HydrophobicContact CG2-CE2 3.61Å; I361-F366 HydrophobicContact CG2-CZ 4.05Å; P363-F366 WeakPolarHBondContact O-CA 3.13Å; P363-F366 VanDerWaalsContact O-CB 3.29Å; P363-F366 WeakPolarHBondContact O-CB 3.4Å; P363-F366 PolarHBondContact O-N 3.49Å; D364-F366 VanDerWaalsContact C-N 3.34Å; F366-Y368 VanDerWaalsContact C-N 3.31Å; F366-Y368 PolarHBondContact O-N 3.2Å; F366-W369 PolarHBondContact O-N 2.73Å; F366-W369 VanDerWaalsContact O-N 3.11Å; F366-A370 PolarHBondContact O-N 3.34Å; F366-S383 VanDerWaalsContact C-OG 3.31Å; F366-S383 VanDerWaalsContact CA-OG 3.3Å; F366-S383 WeakPolarHBondContact CA-OG 3.37Å; F366-S383 WeakPolarHBondContact CB-OG 3.44Å; F366-S383 WeakPolarHBondContact O-CB 3.26Å; F366-S383 PolarHBondContact O-OG 2.88Å; F366-P385 HydrophobicContact CD2-CB 4.49Å; F366-P385 HydrophobicContact CD2-CG 3.73Å; F366-P385 HydrophobicContact CE2-CB 4.06Å; F366-P385 HydrophobicContact CE2-CG 3.75Å
367	D	96.6	Very high	96.5	Very high	74 Å²	74	53.3 Å²	53.3	40%	0.396	27%	0.271	S	S	.	.	H	α-helix	trans	-61.6	-41.4	174.3	-65.7	-28.9	0	0	0	111.6	P363 D364 W369 A370 K371	P363-D367 PolarHBondContact O-N 3.15Å; P363-D367 VanDerWaalsContact O-N 3.13Å; D364-D367 PolarHBondContact O-N 3.4Å; D367-W369 VanDerWaalsContact C-N 3.34Å; D367-W369 PolarHBondContact O-N 2.86Å; D367-A370 WeakPolarHBondContact O-CB 3.48Å; D367-A370 PolarHBondContact O-N 3.13Å; D367-K371 PolarHBondContact O-N 2.99Å
368	Y	97.7	Very high	96.5	Very high	82 Å²	82	53.1 Å²	53.1	32%	0.322	27%	0.269	S	S	.	.	H	α-helix	trans	-55.3	-47.9	171.1	169.7	-97.1	0	0	0	111.7	D364 K365 F366 A370 K371 I372	D364-Y368 PolarHBondContact O-N 3.15Å; K365-Y368 HydrophobicContact CD-CD1 4.02Å; K365-Y368 HydrophobicContact CD-CG 4.46Å; K365-Y368 WeakPolarHBondContact O-CB 3.26Å; K365-Y368 PolarHBondContact O-N 2.9Å; F366-Y368 VanDerWaalsContact C-N 3.31Å; F366-Y368 PolarHBondContact O-N 3.2Å; Y368-A370 VanDerWaalsContact C-N 3.35Å; Y368-A370 PolarHBondContact O-N 3.31Å; Y368-K371 WeakPolarHBondContact O-CB 3.44Å; Y368-K371 PolarHBondContact O-N 3.38Å; Y368-I372 HydrophobicContact CD1-CG1 4.37Å; Y368-I372 HydrophobicContact CE1-CG1 3.88Å; Y368-I372 HydrophobicContact CE2-CD1 4.14Å; Y368-I372 HydrophobicContact CE2-CG1 4.05Å; Y368-I372 WeakPolarHBondContact O-CG1 3.43Å; Y368-I372 PolarHBondContact O-N 3.27Å
369	W	97.9	Very high	96.3	Very high	4 Å²	4	50 Å²	50	2%	0.015	26%	0.258	C	S	.	.	H	α-helix	trans	-66.8	-33.7	177.7	-70.2	126.6	0	0	0	113.6	E324 V327 M328 L331 I344 K365 F366 D367 K371 I372 G373	E324-W369 HydrophobicContact CB-CZ2 4.33Å; E324-W369 HydrophobicContact CG-CH2 3.72Å; E324-W369 HydrophobicContact CG-CZ2 3.79Å; E324-W369 WeakPolarHBondContact O-CH2 3.27Å; V327-W369 HydrophobicContact CB-CH2 3.59Å; V327-W369 HydrophobicContact CB-CZ2 3.6Å; V327-W369 HydrophobicContact CB-CZ3 4.22Å; V327-W369 HydrophobicContact CG1-CD2 3.98Å; V327-W369 HydrophobicContact CG1-CE3 3.99Å; V327-W369 HydrophobicContact CG1-CH2 3.61Å; V327-W369 HydrophobicContact CG1-CZ2 3.55Å; V327-W369 HydrophobicContact CG1-CZ3 3.82Å; V327-W369 HydrophobicContact CG2-CZ2 4.26Å; M328-W369 HydrophobicContact CB-CH2 4.4Å; M328-W369 HydrophobicContact CB-CZ3 4.32Å; M328-W369 HydrophobicContact CE-CZ3 4.2Å; L331-W369 HydrophobicContact CD1-CE3 3.6Å; L331-W369 HydrophobicContact CD1-CZ3 3.92Å; I344-W369 HydrophobicContact CD1-CB 3.69Å; I344-W369 HydrophobicContact CD1-CG 4.34Å; K365-W369 PolarHBondContact O-N 2.96Å; K365-W369 VanDerWaalsContact O-N 3.08Å; F366-W369 PolarHBondContact O-N 2.73Å; F366-W369 VanDerWaalsContact O-N 3.11Å; D367-W369 VanDerWaalsContact C-N 3.34Å; D367-W369 PolarHBondContact O-N 2.86Å; W369-K371 VanDerWaalsContact C-N 3.31Å; W369-K371 PolarHBondContact O-N 2.94Å; W369-I372 HydrophobicContact CE3-CB 4.26Å; W369-I372 HydrophobicContact CE3-CG1 4.39Å; W369-I372 HydrophobicContact CE3-CG2 4.32Å; W369-I372 HydrophobicContact CZ3-CG2 4.4Å; W369-I372 PolarHBondContact O-N 2.97Å; W369-G373 PolarHBondContact O-N 3.34Å
370	A	95.9	Very high	96	Very high	20 Å²	20	48.7 Å²	48.7	17%	0.165	25%	0.251	C	S	.	.	H	α-helix	trans	-58	-47.8	173.2	0	0	0	0	0	110.5	F366 D367 Y368 G373 N374	F366-A370 PolarHBondContact O-N 3.34Å; D367-A370 WeakPolarHBondContact O-CB 3.48Å; D367-A370 PolarHBondContact O-N 3.13Å; Y368-A370 VanDerWaalsContact C-N 3.35Å; Y368-A370 PolarHBondContact O-N 3.31Å; A370-G373 PolarHBondContact O-N 3.24Å; A370-N374 VanDerWaalsContact O-CG 3.25Å; A370-N374 PolarHBondContact O-N 3.05Å; A370-N374 VanDerWaalsContact O-N 3.07Å; A370-N374 PolarHBondContact O-ND2 3.49Å
371	K	97.1	Very high	95.9	Very high	133 Å²	133	48 Å²	48	58%	0.578	25%	0.25	S	C	*	.	H	α-helix	trans	-60.8	-49.4	176.9	-171.6	-171.2	174.2	-165.3	0	111.6	D367 Y368 W369 G373 N374 D375	D367-K371 PolarHBondContact O-N 2.99Å; Y368-K371 WeakPolarHBondContact O-CB 3.44Å; Y368-K371 PolarHBondContact O-N 3.38Å; W369-K371 VanDerWaalsContact C-N 3.31Å; W369-K371 PolarHBondContact O-N 2.94Å; K371-G373 VanDerWaalsContact C-N 3.31Å; K371-G373 PolarHBondContact O-N 3.04Å; K371-N374 PolarHBondContact O-N 3.26Å; K371-D375 VanDerWaalsContact O-CG 3.27Å; K371-D375 PolarHBondContact O-N 3.35Å
372	I	97.6	Very high	95.7	Very high	24 Å²	24	47.8 Å²	47.8	12%	0.123	25%	0.249	C	C	.	.	H	α-helix	trans	-58.1	-43.1	178.2	-67.6	-52.7	0	0	0	111.6	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 3.53Å; M328-I372 HydrophobicContact SD-CG2 3.72Å; L331-I372 HydrophobicContact CD1-CG2 3.95Å; Y368-I372 HydrophobicContact CD1-CG1 4.37Å; Y368-I372 HydrophobicContact CE1-CG1 3.88Å; Y368-I372 HydrophobicContact CE2-CD1 4.14Å; Y368-I372 HydrophobicContact CE2-CG1 4.05Å; Y368-I372 WeakPolarHBondContact O-CG1 3.43Å; Y368-I372 PolarHBondContact O-N 3.27Å; W369-I372 HydrophobicContact CE3-CB 4.26Å; W369-I372 HydrophobicContact CE3-CG1 4.39Å; W369-I372 HydrophobicContact CE3-CG2 4.32Å; W369-I372 HydrophobicContact CZ3-CG2 4.4Å; W369-I372 PolarHBondContact O-N 2.97Å; I372-N374 VanDerWaalsContact C-N 3.34Å; I372-N374 PolarHBondContact O-N 3.41Å; I372-D375 PolarHBondContact O-N 3.21Å; I372-L376 HydrophobicContact CG2-CD1 3.86Å; I372-L376 HydrophobicContact CG2-CG 4.31Å; I372-L376 WeakPolarHBondContact O-CB 3.2Å; I372-L376 VanDerWaalsContact O-CG 3.27Å; I372-L376 WeakPolarHBondContact O-CG 3.26Å; I372-L376 PolarHBondContact O-N 3.36Å
373	G	96.5	Very high	95.6	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.8	-42.7	177.5	0	0	0	0	0	112.5	W369 A370 K371 L376 G377 F378 T381	W369-G373 PolarHBondContact O-N 3.34Å; A370-G373 PolarHBondContact O-N 3.24Å; K371-G373 VanDerWaalsContact C-N 3.31Å; K371-G373 PolarHBondContact O-N 3.04Å; G373-L376 PolarHBondContact O-N 2.93Å; G373-G377 PolarHBondContact O-N 3.15Å; G373-F378 VanDerWaalsContact O-CD2 3.32Å; G373-F378 WeakPolarHBondContact O-CD2 3.28Å; G373-F378 PolarHBondContact O-N 3.2Å; G373-T381 WeakPolarHBondContact CA-OG1 3.43Å
374	N	93.4	Very high	95.5	Very high	90 Å²	90	43.9 Å²	43.9	48%	0.481	23%	0.233	S	C	.	.	H	α-helix	trans	-64.4	-42.8	175.5	-64.1	-19.8	0	0	0	111.8	A370 K371 I372 L376 G377 T381	A370-N374 VanDerWaalsContact O-CG 3.25Å; A370-N374 PolarHBondContact O-N 3.05Å; A370-N374 VanDerWaalsContact O-N 3.07Å; A370-N374 PolarHBondContact O-ND2 3.49Å; K371-N374 PolarHBondContact O-N 3.26Å; I372-N374 VanDerWaalsContact C-N 3.34Å; I372-N374 PolarHBondContact O-N 3.41Å; N374-L376 VanDerWaalsContact C-N 3.28Å; N374-L376 PolarHBondContact O-N 2.96Å; N374-G377 WeakPolarHBondContact O-CA 3.5Å; N374-G377 PolarHBondContact O-N 2.98Å; N374-T381 PolarHBondContact OD1-OG1 2.66Å
375	D	97	Very high	95.4	Very high	111 Å²	111	40.4 Å²	40.4	59%	0.594	22%	0.215	S	C	*	.	H	α-helix	trans	-64.8	-31.6	177.8	-68.2	-15.2	0	0	0	112.2	K371 I372 G377	K371-D375 VanDerWaalsContact O-CG 3.27Å; K371-D375 PolarHBondContact O-N 3.35Å; I372-D375 PolarHBondContact O-N 3.21Å; D375-G377 PolarHBondContact O-N 2.9Å
376	L	97.5	Very high	95	Very high	49 Å²	49	39.5 Å²	39.5	26%	0.257	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-2.8	173	-71.6	174.7	0	0	0	113.4	L331 K332 R335 I372 G373 N374	L331-L376 HydrophobicContact CB-CD1 3.63Å; K332-L376 HydrophobicContact CG-CD1 4.28Å; K332-L376 HydrophobicContact CG-CD2 3.93Å; R335-L376 HydrophobicContact CG-CB 4Å; R335-L376 PolarHBondContact NE-O 3.32Å; R335-L376 VanDerWaalsContact NE-O 3.07Å; I372-L376 HydrophobicContact CG2-CD1 3.86Å; I372-L376 HydrophobicContact CG2-CG 4.31Å; I372-L376 WeakPolarHBondContact O-CB 3.2Å; I372-L376 VanDerWaalsContact O-CG 3.27Å; I372-L376 WeakPolarHBondContact O-CG 3.26Å; I372-L376 PolarHBondContact O-N 3.36Å; G373-L376 PolarHBondContact O-N 2.93Å; N374-L376 VanDerWaalsContact C-N 3.28Å; N374-L376 PolarHBondContact O-N 2.96Å
377	G	96	Very high	94.7	Very high	37 Å²	37	40.1 Å²	40.1	38%	0.381	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	30.8	174.8	0	0	0	0	0	114.5	R335 G373 N374 D375	R335-G377 VanDerWaalsContact CZ-O 3.27Å; R335-G377 PolarHBondContact NE-O 3.49Å; R335-G377 PolarHBondContact NH2-O 3.44Å; G373-G377 PolarHBondContact O-N 3.15Å; N374-G377 WeakPolarHBondContact O-CA 3.5Å; N374-G377 PolarHBondContact O-N 2.98Å; D375-G377 PolarHBondContact O-N 2.9Å
378	F	95.4	Very high	94.4	Very high	10 Å²	10	39.4 Å²	39.4	4%	0.044	21%	0.209	C	C	.	.			trans	-60.3	142.5	159.3	-73.8	-76.6	0	0	0	108.4	L331 L334 R335 V339 D340 V342 G373 Y380	L331-F378 HydrophobicContact CB-CE2 4.36Å; L331-F378 HydrophobicContact CD2-CE2 4.09Å; L331-F378 HydrophobicContact CD2-CZ 4.38Å; L334-F378 HydrophobicContact CB-CE1 4.17Å; L334-F378 HydrophobicContact CB-CZ 3.86Å; R335-F378 VanDerWaalsContact CD-CD2 3.49Å; R335-F378 VanDerWaalsContact CD-CE2 3.43Å; R335-F378 VanDerWaalsContact CD-CG 3.41Å; R335-F378 HydrophobicContact CG-CD1 4.38Å; R335-F378 HydrophobicContact CG-CD2 4.03Å; R335-F378 HydrophobicContact CG-CE1 3.94Å; R335-F378 HydrophobicContact CG-CE2 3.53Å; R335-F378 HydrophobicContact CG-CG 4.42Å; R335-F378 HydrophobicContact CG-CZ 3.48Å; R335-F378 VanDerWaalsContact CG-CZ 3.48Å; V339-F378 HydrophobicContact CB-CE1 4.24Å; V339-F378 HydrophobicContact CG1-CE1 4.14Å; V339-F378 WeakPolarHBondContact O-CD1 3.26Å; V339-F378 WeakPolarHBondContact O-CE1 3.36Å; D340-F378 CarbonylContact O-C 3.55Å; D340-F378 WeakPolarHBondContact O-CA 3.33Å; V342-F378 HydrophobicContact CB-CD1 4.02Å; V342-F378 HydrophobicContact CB-CD2 4.47Å; V342-F378 HydrophobicContact CB-CE1 3.77Å; V342-F378 HydrophobicContact CB-CE2 4.28Å; V342-F378 HydrophobicContact CB-CG 4.38Å; V342-F378 HydrophobicContact CB-CZ 3.92Å; V342-F378 HydrophobicContact CG1-CD1 3.97Å; V342-F378 HydrophobicContact CG1-CD2 3.65Å; V342-F378 HydrophobicContact CG1-CE1 4Å; V342-F378 HydrophobicContact CG1-CE2 3.7Å; V342-F378 HydrophobicContact CG1-CG 3.81Å; V342-F378 HydrophobicContact CG1-CZ 3.87Å; V342-F378 HydrophobicContact CG2-CZ 4.5Å; G373-F378 VanDerWaalsContact O-CD2 3.32Å; G373-F378 WeakPolarHBondContact O-CD2 3.28Å; G373-F378 PolarHBondContact O-N 3.2Å; F378-Y380 PolarHBondContact O-N 3.23Å
379	L	91.9	Very high	93.8	Very high	59 Å²	59	36.5 Å²	36.5	31%	0.309	20%	0.2	S	C	.	.	S	Bend	trans	-59.3	-41.7	169.2	-61.1	-174.8	0	0	0	109.2	D340 Y397 I401	D340-L379 HydrophobicContact CB-CD1 3.76Å; D340-L379 HydrophobicContact CB-CG 4.04Å; D340-L379 PolarHBondContact O-N 2.94Å; L379-Y397 HydrophobicContact CB-CE1 4.26Å; L379-Y397 WeakPolarHBondContact O-CE1 3.2Å; L379-Y397 PolarHBondContact O-OH 3.28Å; L379-I401 HydrophobicContact CB-CD1 3.93Å; L379-I401 HydrophobicContact CD1-CD1 4.03Å; L379-I401 HydrophobicContact CG-CD1 4.48Å
380	Y	89.2	Confident	92.9	Very high	32 Å²	32	37.2 Å²	37.2	13%	0.125	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	134.2	-179.2	179.4	-110.3	0	0	0	112.5	C341 V342 F378 A382 A393 G394 Y397	C341-Y380 WeakPolarHBondContact CA-O 3.27Å; V342-Y380 PolarHBondContact N-O 2.74Å; F378-Y380 PolarHBondContact O-N 3.23Å; Y380-A382 HydrophobicContact CE1-CB 3.57Å; Y380-A382 VanDerWaalsContact OH-CB 3.31Å; Y380-A382 WeakPolarHBondContact OH-CB 3.44Å; Y380-A393 WeakPolarHBondContact OH-CB 3.38Å; Y380-A393 PolarHBondContact OH-O 3.47Å; Y380-G394 PolarHBondContact OH-N 3.4Å; Y380-Y397 AromaticContact CD2-CD1 3.84Å; Y380-Y397 HydrophobicContact CD2-CD1 3.84Å; Y380-Y397 HydrophobicContact CD2-CE1 4.47Å; Y380-Y397 AromaticContact CD2-CG 3.86Å; Y380-Y397 HydrophobicContact CD2-CG 3.86Å; Y380-Y397 AromaticContact CG-CD1 3.92Å; Y380-Y397 HydrophobicContact CG-CD1 3.92Å; Y380-Y397 HydrophobicContact CG-CG 4.36Å
381	T	93.4	Very high	91.7	Very high	12 Å²	12	38.4 Å²	38.4	7%	0.074	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	107.2	172.8	-53.3	0	0	0	0	109.6	V342 I344 G373 N374	V342-T381 HydrophobicContact CG1-CG2 3.87Å; V342-T381 WeakPolarHBondContact O-CA 3.45Å; I344-T381 HydrophobicContact CD1-CG2 4.38Å; G373-T381 WeakPolarHBondContact CA-OG1 3.43Å; N374-T381 PolarHBondContact OD1-OG1 2.66Å
382	A	92.7	Very high	90.5	Very high	6 Å²	6	33.5 Å²	33.5	5%	0.05	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	121.6	164.5	0	0	0	0	0	108.7	V342 T343 I344 Y380 V387	V342-A382 PolarHBondContact O-N 3.08Å; T343-A382 CarbonylContact C-O 3.59Å; T343-A382 VanDerWaalsContact CA-O 3.27Å; T343-A382 WeakPolarHBondContact CA-O 3.31Å; T343-A382 HydrophobicContact CG2-CB 4.08Å; I344-A382 PolarHBondContact N-O 2.65Å; Y380-A382 HydrophobicContact CE1-CB 3.57Å; Y380-A382 VanDerWaalsContact OH-CB 3.31Å; Y380-A382 WeakPolarHBondContact OH-CB 3.44Å; A382-V387 HydrophobicContact CB-CG1 3.69Å; A382-V387 HydrophobicContact CB-CG2 4.28Å
383	S	95	Very high	88.3	Confident	15 Å²	15	34.5 Å²	34.5	11%	0.105	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	123.4	176.6	-172.9	0	0	0	0	109.5	I344 F366	I344-S383 WeakPolarHBondContact O-CA 3.31Å; F366-S383 VanDerWaalsContact C-OG 3.31Å; F366-S383 VanDerWaalsContact CA-OG 3.3Å; F366-S383 WeakPolarHBondContact CA-OG 3.37Å; F366-S383 WeakPolarHBondContact CB-OG 3.44Å; F366-S383 WeakPolarHBondContact O-CB 3.26Å; F366-S383 PolarHBondContact O-OG 2.88Å
384	G	93.8	Very high	86.7	Confident	11 Å²	11	34.6 Å²	34.6	11%	0.113	20%	0.197	C	C	.	.	S	Bend	trans	178.4	157.3	180	0	0	0	0	0	112.1	I344 G345 L386 V387	I344-G384 PolarHBondContact O-N 2.74Å; G345-G384 WeakPolarHBondContact CA-O 3.43Å; G384-L386 VanDerWaalsContact C-N 3.27Å; G384-L386 PolarHBondContact O-N 3.41Å; G384-V387 WeakPolarHBondContact O-CB 3.23Å; G384-V387 PolarHBondContact O-N 2.82Å
385	P	93.4	Very high	85.6	Confident	21 Å²	21	31.1 Å²	31.1	14%	0.136	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-39.9	-176	-23.6	31.3	0	0	0	113.5	L108 Q346 P363 F366	L108-P385 HydrophobicContact CD2-CB 3.49Å; L108-P385 VanDerWaalsContact CD2-CB 3.49Å; L108-P385 HydrophobicContact CG-CB 4.25Å; Q346-P385 HydrophobicContact CB-CB 4.47Å; Q346-P385 VanDerWaalsContact CB-O 3.23Å; Q346-P385 WeakPolarHBondContact CB-O 3.36Å; Q346-P385 PolarHBondContact N-O 2.83Å; Q346-P385 VanDerWaalsContact N-O 3.16Å; P363-P385 HydrophobicContact CB-CG 4.46Å; P363-P385 HydrophobicContact CG-CG 4.11Å; F366-P385 HydrophobicContact CD2-CB 4.49Å; F366-P385 HydrophobicContact CD2-CG 3.73Å; F366-P385 HydrophobicContact CE2-CB 4.06Å; F366-P385 HydrophobicContact CE2-CG 3.75Å
386	L	90	Very high	84.2	Confident	39 Å²	39	31.6 Å²	31.6	20%	0.204	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	0.1	-179.5	-61.8	177.1	0	0	0	113.8	L108 T110 N141 G384 R388	L108-L386 HydrophobicContact CD2-CD2 4Å; T110-L386 HydrophobicContact CG2-CD1 3.69Å; T110-L386 HydrophobicContact CG2-CD2 3.82Å; T110-L386 HydrophobicContact CG2-CG 4.43Å; N141-L386 PolarHBondContact ND2-O 3.43Å; G384-L386 VanDerWaalsContact C-N 3.27Å; G384-L386 PolarHBondContact O-N 3.41Å; L386-R388 PolarHBondContact O-N 3.03Å
387	V	90.9	Very high	82.9	Confident	13 Å²	13	32.6 Å²	32.6	8%	0.079	17%	0.173	C	C	.	.			trans	-63.4	136.8	179.1	170.9	0	0	0	0	110.1	T343 G345 A382 G384 Y391	T343-V387 HydrophobicContact CG2-CG1 4.41Å; G345-V387 WeakPolarHBondContact CA-O 3.33Å; A382-V387 HydrophobicContact CB-CG1 3.69Å; A382-V387 HydrophobicContact CB-CG2 4.28Å; G384-V387 WeakPolarHBondContact O-CB 3.23Å; G384-V387 PolarHBondContact O-N 2.82Å; V387-Y391 HydrophobicContact CG2-CD1 4.24Å
388	R	89.4	Confident	82	Confident	60 Å²	60	30.8 Å²	30.8	23%	0.226	16%	0.155	C	C	.	.			trans	-127.2	164.4	173.3	-59.5	-61.2	179.6	89.2	-10.9	109	L386 S390 Y391	L386-R388 PolarHBondContact O-N 3.03Å; R388-S390 PolarHBondContact O-N 3.14Å; R388-Y391 VanDerWaalsContact O-CB 3.32Å; R388-Y391 WeakPolarHBondContact O-CB 3.39Å; R388-Y391 PolarHBondContact O-N 3.14Å
389	S	85.4	Confident	81.2	Confident	20 Å²	20	33.6 Å²	33.6	14%	0.14	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-41.8	175.3	49.5	0	0	0	0	111.9	L240 K313	L240-S389 WeakPolarHBondContact CD2-OG 3.5Å; K313-S389 WeakPolarHBondContact CE-O 3.49Å; K313-S389 PolarHBondContact NZ-O 3.4Å
390	S	80.4	Confident	80.6	Confident	19 Å²	19	34 Å²	34	13%	0.133	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	18.9	178.6	60.1	0	0	0	0	115.1	T157 R388	T157-S390 WeakPolarHBondContact OG1-CB 3.37Å; T157-S390 PolarHBondContact OG1-OG 3.02Å; T157-S390 VanDerWaalsContact OG1-OG 3.09Å; R388-S390 PolarHBondContact O-N 3.14Å
391	Y	70.6	Confident	80.2	Confident	46 Å²	46	33.2 Å²	33.2	18%	0.18	17%	0.165	C	C	.	.			trans	-77.7	136.7	-177.1	-171.9	-108	0	0	0	112.9	N141 E144 V387 R388 A393 G394	N141-Y391 WeakPolarHBondContact ND2-CD2 3.37Å; E144-Y391 PolarHBondContact OE1-OH 2.87Å; E144-Y391 PolarHBondContact OE2-OH 3.43Å; V387-Y391 HydrophobicContact CG2-CD1 4.24Å; R388-Y391 VanDerWaalsContact O-CB 3.32Å; R388-Y391 WeakPolarHBondContact O-CB 3.39Å; R388-Y391 PolarHBondContact O-N 3.14Å; Y391-A393 HydrophobicContact CD1-CB 4.2Å; Y391-A393 HydrophobicContact CE1-CB 4.36Å; Y391-A393 PolarHBondContact O-N 2.77Å; Y391-G394 PolarHBondContact O-N 2.78Å
392	R	70	Confident	79.5	Confident	29 Å²	29	32.9 Å²	32.9	11%	0.109	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42	-34.5	-168.4	-52.1	179.1	75.8	173.8	12.7	116.7	E144 T152 A153 G394 E395	E144-R392 PolarHBondContact O-NH1 2.87Å; T152-R392 PolarHBondContact O-NH2 3.41Å; T152-R392 VanDerWaalsContact O-NH2 3.14Å; T152-R392 PolarHBondContact OG1-NH1 2.87Å; T152-R392 PolarHBondContact OG1-NH2 2.92Å; A153-R392 PolarHBondContact O-NH2 3.26Å; R392-G394 PolarHBondContact O-N 3.43Å; R392-G394 VanDerWaalsContact O-N 3.13Å; R392-E395 WeakPolarHBondContact CA-OE1 3.25Å; R392-E395 WeakPolarHBondContact O-CB 3.41Å; R392-E395 PolarHBondContact O-N 2.9Å
393	A	53.2	Low	79	Confident	46 Å²	46	35.2 Å²	35.2	38%	0.38	17%	0.174	S	C	.	.	H	α-helix	trans	-61.6	-27	-170.6	0	0	0	0	0	112.9	Y380 Y391	Y380-A393 WeakPolarHBondContact OH-CB 3.38Å; Y380-A393 PolarHBondContact OH-O 3.47Å; Y391-A393 HydrophobicContact CD1-CB 4.2Å; Y391-A393 HydrophobicContact CE1-CB 4.36Å; Y391-A393 PolarHBondContact O-N 2.77Å
394	G	61.6	Low	78.3	Confident	2 Å²	2	37.9 Å²	37.9	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-73.7	-26.6	175.7	0	0	0	0	0	114.1	Y380 Y391 R392 Y397 I398	Y380-G394 PolarHBondContact OH-N 3.4Å; Y391-G394 PolarHBondContact O-N 2.78Å; R392-G394 PolarHBondContact O-N 3.43Å; R392-G394 VanDerWaalsContact O-N 3.13Å; G394-Y397 PolarHBondContact O-N 3.3Å; G394-I398 WeakPolarHBondContact O-CB 3.4Å; G394-I398 WeakPolarHBondContact O-CD1 3.31Å; G394-I398 WeakPolarHBondContact O-CG1 3.36Å; G394-I398 PolarHBondContact O-N 3.34Å
395	E	71.2	Confident	77.6	Confident	17 Å²	17	40 Å²	40	8%	0.079	19%	0.19	C	C	.	.	H	α-helix	trans	-70.6	-42.4	-166.5	-66.5	169.5	-142.6	0	0	112.7	T155 Y202 R392 Y397 K399	T155-E395 VanDerWaalsContact CB-OE1 3.24Å; T155-E395 WeakPolarHBondContact CB-OE1 3.45Å; T155-E395 VanDerWaalsContact CG2-CD 3.42Å; T155-E395 WeakPolarHBondContact CG2-OE1 3.43Å; T155-E395 PolarHBondContact OG1-OE1 3.02Å; T155-E395 PolarHBondContact OG1-OE2 2.68Å; Y202-E395 HydrophobicContact CD1-CG 3.64Å; Y202-E395 HydrophobicContact CD2-CB 3.93Å; Y202-E395 HydrophobicContact CD2-CG 3.89Å; Y202-E395 HydrophobicContact CE1-CG 3.76Å; Y202-E395 HydrophobicContact CE2-CB 4.17Å; Y202-E395 HydrophobicContact CE2-CG 3.97Å; Y202-E395 HydrophobicContact CG-CB 4.1Å; Y202-E395 HydrophobicContact CG-CG 3.72Å; R392-E395 WeakPolarHBondContact CA-OE1 3.25Å; R392-E395 WeakPolarHBondContact O-CB 3.41Å; R392-E395 PolarHBondContact O-N 2.9Å; E395-Y397 VanDerWaalsContact C-N 3.34Å; E395-Y397 PolarHBondContact O-N 3.23Å; E395-K399 WeakPolarHBondContact O-CA 3.17Å; E395-K399 WeakPolarHBondContact O-CB 3.39Å; E395-K399 PolarHBondContact O-N 3.31Å
396	Y	67.3	Low	76.7	Confident	120 Å²	120	42.1 Å²	42.1	47%	0.471	20%	0.197	S	C	.	.	H	α-helix	trans	-60.6	-46.3	176.3	-80.7	-78.9	0	0	0	112.1	S151 T152 H400	S151-Y396 PolarHBondContact O-OH 3.17Å; T152-Y396 WeakPolarHBondContact CA-OH 3.29Å; T152-Y396 HydrophobicContact CG2-CE2 3.94Å; Y396-H400 WeakPolarHBondContact O-CB 3.39Å; Y396-H400 PolarHBondContact O-N 3.37Å
397	Y	70.2	Confident	75.9	Confident	70 Å²	70	49 Å²	49	28%	0.275	22%	0.22	S	C	.	.	H	α-helix	trans	-71	-44.4	-177.1	-171.7	-91.5	0	0	0	111.2	L379 Y380 G394 E395 H400 I401	L379-Y397 HydrophobicContact CB-CE1 4.26Å; L379-Y397 WeakPolarHBondContact O-CE1 3.2Å; L379-Y397 PolarHBondContact O-OH 3.28Å; Y380-Y397 AromaticContact CD2-CD1 3.84Å; Y380-Y397 HydrophobicContact CD2-CD1 3.84Å; Y380-Y397 HydrophobicContact CD2-CE1 4.47Å; Y380-Y397 AromaticContact CD2-CG 3.86Å; Y380-Y397 HydrophobicContact CD2-CG 3.86Å; Y380-Y397 AromaticContact CG-CD1 3.92Å; Y380-Y397 HydrophobicContact CG-CD1 3.92Å; Y380-Y397 HydrophobicContact CG-CG 4.36Å; G394-Y397 PolarHBondContact O-N 3.3Å; E395-Y397 VanDerWaalsContact C-N 3.34Å; E395-Y397 PolarHBondContact O-N 3.23Å; Y397-H400 PolarHBondContact O-N 2.95Å; Y397-I401 HydrophobicContact CD1-CD1 3.61Å; Y397-I401 HydrophobicContact CD1-CG1 4.34Å; Y397-I401 HydrophobicContact CE1-CD1 3.08Å; Y397-I401 HydrophobicContact CE1-CG1 4Å; Y397-I401 WeakPolarHBondContact O-CG1 3.4Å; Y397-I401 PolarHBondContact O-N 3.39Å
398	I	76.7	Confident	74.7	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.1	-45.3	175.3	-72.5	169.3	0	0	0	110.5	Y202 V261 I311 K313 G394 H400 I401 I402	Y202-I398 HydrophobicContact CE2-CB 4.44Å; Y202-I398 HydrophobicContact CE2-CG2 3.95Å; V261-I398 HydrophobicContact CG2-CD1 4.32Å; V261-I398 HydrophobicContact CG2-CG2 3.53Å; I311-I398 HydrophobicContact CD1-CG2 4.12Å; K313-I398 HydrophobicContact CD-CD1 4.46Å; G394-I398 WeakPolarHBondContact O-CB 3.4Å; G394-I398 WeakPolarHBondContact O-CD1 3.31Å; G394-I398 WeakPolarHBondContact O-CG1 3.36Å; G394-I398 PolarHBondContact O-N 3.34Å; I398-H400 VanDerWaalsContact C-N 3.33Å; I398-H400 PolarHBondContact O-N 3Å; I398-I401 PolarHBondContact O-N 3.07Å; I398-I402 HydrophobicContact CG2-CD1 3.37Å; I398-I402 HydrophobicContact CG2-CG1 4.21Å; I398-I402 WeakPolarHBondContact O-CB 3.43Å; I398-I402 WeakPolarHBondContact O-CD1 3.43Å; I398-I402 WeakPolarHBondContact O-CG1 3.4Å; I398-I402 PolarHBondContact O-N 3.43Å
399	K	78.8	Confident	73.2	Confident	68 Å²	68	56 Å²	56	30%	0.296	26%	0.256	S	S	.	.	H	α-helix	trans	-56.5	-47.5	175.3	178.6	169.1	-174.6	-177.6	0	110.9	D201 I236 E395 I401 I402 D403	D201-K399 IonicContact OD2-NZ 2.73Å; D201-K399 PolarHBondContact OD2-NZ 3.47Å; I236-K399 HydrophobicContact CD1-CB 3.62Å; I236-K399 HydrophobicContact CD1-CD 4.19Å; I236-K399 HydrophobicContact CD1-CG 3.59Å; E395-K399 WeakPolarHBondContact O-CA 3.17Å; E395-K399 WeakPolarHBondContact O-CB 3.39Å; E395-K399 PolarHBondContact O-N 3.31Å; K399-I401 PolarHBondContact O-N 3.4Å; K399-I402 PolarHBondContact O-N 2.7Å; K399-D403 WeakPolarHBondContact O-CB 3.41Å; K399-D403 PolarHBondContact O-N 3.08Å
400	H	78.8	Confident	71.3	Confident	67 Å²	67	64.7 Å²	64.7	31%	0.31	30%	0.299	S	S	.	.	H	α-helix	trans	-59.8	-44.3	177	-171.1	71.6	0	0	0	112.8	F61 Y396 Y397 I398 D403 Q404	F61-H400 AromaticContact CD2-NE2 3.9Å; F61-H400 AromaticContact CE2-NE2 3.75Å; Y396-H400 WeakPolarHBondContact O-CB 3.39Å; Y396-H400 PolarHBondContact O-N 3.37Å; Y397-H400 PolarHBondContact O-N 2.95Å; I398-H400 VanDerWaalsContact C-N 3.33Å; I398-H400 PolarHBondContact O-N 3Å; H400-D403 PolarHBondContact O-N 3.38Å; H400-Q404 PolarHBondContact CD2-NE2 2.72Å; H400-Q404 PolarHBondContact NE2-NE2 2.88Å; H400-Q404 WeakPolarHBondContact O-CG 3.42Å; H400-Q404 PolarHBondContact O-N 3.06Å
401	I	80.9	Confident	70.8	Confident	16 Å²	16	67 Å²	67	8%	0.082	31%	0.307	C	S	.	.	H	α-helix	trans	-63.1	-45.3	176.4	-71.5	174.9	0	0	0	111.3	I311 L379 Y397 I398 K399 D403 Q404 R405	I311-I401 HydrophobicContact CD1-CB 4.43Å; I311-I401 HydrophobicContact CD1-CG2 3.89Å; L379-I401 HydrophobicContact CB-CD1 3.93Å; L379-I401 HydrophobicContact CD1-CD1 4.03Å; L379-I401 HydrophobicContact CG-CD1 4.48Å; Y397-I401 HydrophobicContact CD1-CD1 3.61Å; Y397-I401 HydrophobicContact CD1-CG1 4.34Å; Y397-I401 HydrophobicContact CE1-CD1 3.08Å; Y397-I401 HydrophobicContact CE1-CG1 4Å; Y397-I401 WeakPolarHBondContact O-CG1 3.4Å; Y397-I401 PolarHBondContact O-N 3.39Å; I398-I401 PolarHBondContact O-N 3.07Å; K399-I401 PolarHBondContact O-N 3.4Å; I401-D403 VanDerWaalsContact C-N 3.34Å; I401-Q404 PolarHBondContact O-N 3.23Å; I401-R405 HydrophobicContact CG2-CG 4.38Å; I401-R405 WeakPolarHBondContact O-CG 3.45Å; I401-R405 PolarHBondContact O-N 2.99Å
402	I	79.4	Confident	70.8	Confident	6 Å²	6	68.1 Å²	68.1	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-62.8	-45.4	-179.6	-68.6	158.9	0	0	0	109.8	I236 E260 I311 I398 K399 Q404 R405 K406	I236-I402 HydrophobicContact CD1-CD1 3.97Å; I236-I402 HydrophobicContact CG1-CD1 4.22Å; I236-I402 HydrophobicContact CG2-CD1 3.62Å; E260-I402 HydrophobicContact CB-CD1 3.58Å; E260-I402 HydrophobicContact CB-CG1 4.3Å; E260-I402 HydrophobicContact CG-CD1 3.84Å; E260-I402 HydrophobicContact CG-CG1 4.34Å; E260-I402 HydrophobicContact CG-CG2 3.93Å; I311-I402 HydrophobicContact CD1-CD1 4.27Å; I311-I402 HydrophobicContact CD1-CG1 3.71Å; I398-I402 HydrophobicContact CG2-CD1 3.37Å; I398-I402 HydrophobicContact CG2-CG1 4.21Å; I398-I402 WeakPolarHBondContact O-CB 3.43Å; I398-I402 WeakPolarHBondContact O-CD1 3.43Å; I398-I402 WeakPolarHBondContact O-CG1 3.4Å; I398-I402 PolarHBondContact O-N 3.43Å; K399-I402 PolarHBondContact O-N 2.7Å; I402-Q404 VanDerWaalsContact C-N 3.3Å; I402-Q404 PolarHBondContact O-N 3.26Å; I402-R405 PolarHBondContact O-N 3.08Å; I402-R405 VanDerWaalsContact O-N 3.14Å; I402-K406 HydrophobicContact CG2-CD 3.85Å; I402-K406 HydrophobicContact CG2-CG 4.2Å; I402-K406 WeakPolarHBondContact O-CB 3.43Å; I402-K406 WeakPolarHBondContact O-CG 3.47Å; I402-K406 PolarHBondContact O-N 3.21Å
403	D	81.7	Confident	70.9	Confident	54 Å²	54	70.2 Å²	70.2	29%	0.289	33%	0.325	S	S	.	.	H	α-helix	trans	-60.8	-40.9	178.1	-70.2	-16.1	0	0	0	111	K399 H400 I401 R407	K399-D403 WeakPolarHBondContact O-CB 3.41Å; K399-D403 PolarHBondContact O-N 3.08Å; H400-D403 PolarHBondContact O-N 3.38Å; I401-D403 VanDerWaalsContact C-N 3.34Å; D403-R407 WeakPolarHBondContact O-CB 3.32Å; D403-R407 WeakPolarHBondContact O-CG 3Å; D403-R407 PolarHBondContact O-N 3.28Å
404	Q	79.9	Confident	71.9	Confident	72 Å²	72	71.6 Å²	71.6	34%	0.336	32%	0.322	S	S	.	.	H	α-helix	trans	-63.9	-42.8	173.4	-73.9	-174.8	-3.5	0	0	112.6	H400 I401 I402 R407 K408	H400-Q404 PolarHBondContact CD2-NE2 2.72Å; H400-Q404 PolarHBondContact NE2-NE2 2.88Å; H400-Q404 WeakPolarHBondContact O-CG 3.42Å; H400-Q404 PolarHBondContact O-N 3.06Å; I401-Q404 PolarHBondContact O-N 3.23Å; I402-Q404 VanDerWaalsContact C-N 3.3Å; I402-Q404 PolarHBondContact O-N 3.26Å; Q404-R407 PolarHBondContact O-N 3.21Å; Q404-K408 WeakPolarHBondContact O-CG 3.47Å; Q404-K408 PolarHBondContact O-N 2.9Å; Q404-K408 VanDerWaalsContact O-N 3.14Å
405	R	79.9	Confident	72.5	Confident	55 Å²	55	76 Å²	76	21%	0.208	34%	0.34	C	S	.	.	H	α-helix	trans	-65.3	-45.3	178.2	-74.1	-179	-177	-179.3	5.5	111.5	L309 I401 I402 R407 K408 N409	L309-R405 PolarHBondContact O-NH1 3.46Å; I401-R405 HydrophobicContact CG2-CG 4.38Å; I401-R405 WeakPolarHBondContact O-CG 3.45Å; I401-R405 PolarHBondContact O-N 2.99Å; I402-R405 PolarHBondContact O-N 3.08Å; I402-R405 VanDerWaalsContact O-N 3.14Å; R405-R407 VanDerWaalsContact C-N 3.3Å; R405-R407 PolarHBondContact O-N 3.42Å; R405-K408 PolarHBondContact O-N 3.07Å; R405-N409 PolarHBondContact O-N 3.47Å
406	K	74	Confident	72.6	Confident	66 Å²	66	79.9 Å²	79.9	29%	0.287	36%	0.358	S	S	.	.	H	α-helix	trans	-62.1	-37.1	177.5	-72.9	-177.7	177.4	179.2	0	111.5	E260 I402	E260-K406 IonicContact OE1-NZ 2.83Å; E260-K406 PolarHBondContact OE1-NZ 3.33Å; E260-K406 VanDerWaalsContact OE1-NZ 3.08Å; I402-K406 HydrophobicContact CG2-CD 3.85Å; I402-K406 HydrophobicContact CG2-CG 4.2Å; I402-K406 WeakPolarHBondContact O-CB 3.43Å; I402-K406 WeakPolarHBondContact O-CG 3.47Å; I402-K406 PolarHBondContact O-N 3.21Å
407	R	74.2	Confident	73	Confident	183 Å²	183	77.1 Å²	77.1	69%	0.691	35%	0.35	S	S	*	.	H	α-helix	trans	-72	-26.5	176	-73.4	174	-166.9	174.2	5.4	114.8	D403 Q404 R405 N409	D403-R407 WeakPolarHBondContact O-CB 3.32Å; D403-R407 WeakPolarHBondContact O-CG 3Å; D403-R407 PolarHBondContact O-N 3.28Å; Q404-R407 PolarHBondContact O-N 3.21Å; R405-R407 VanDerWaalsContact C-N 3.3Å; R405-R407 PolarHBondContact O-N 3.42Å; R407-N409 VanDerWaalsContact C-N 3.34Å
408	K	66.3	Low	73.2	Confident	121 Å²	121	77.6 Å²	77.6	53%	0.526	36%	0.355	S	S	.	.	H	α-helix	trans	-81.4	-15.2	178.3	-74.3	-177.5	-177.8	-176.8	0	113.3	Q55 Q404 R405	Q55-K408 VanDerWaalsContact CD-NZ 3.32Å; Q55-K408 VanDerWaalsContact NE2-NZ 3.16Å; Q404-K408 WeakPolarHBondContact O-CG 3.47Å; Q404-K408 PolarHBondContact O-N 2.9Å; Q404-K408 VanDerWaalsContact O-N 3.14Å; R405-K408 PolarHBondContact O-N 3.07Å
409	N	56.7	Low	72.9	Confident	100 Å²	100	84.1 Å²	84.1	54%	0.535	39%	0.385	S	S	.	.			trans	-105.5	4.9	-177.7	-67.4	-12.1	0	0	0	113.2	D307 R405 R407	D307-N409 PolarHBondContact O-ND2 3.07Å; R405-N409 PolarHBondContact O-N 3.47Å; R407-N409 VanDerWaalsContact C-N 3.34Å
410	I	44.8	Very low	72.4	Confident	201 Å²	201	85.5 Å²	85.5	100%	1.031	39%	0.393	S	S	*	.			trans	-106.8	0	164.1	-58.8	168.8	0	0	0	106.2

Retrieved 410 of 410 residues in 706.5 ms (Link to these results)

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