A0A075B7H4_PONAB Loading...

SUMO-activating enzyme subunit 1

The heterodimer acts as an E1 ligase for SUMO1, SUMO2, SUMO3, and probably SUMO4. It mediates ATP-dependent activation of SUMO proteins followed by formation of a thioester bond between a SUMO protein and a conserved active site cysteine residue on UBA2/SAE2.

AlphaFold DB , UniProt , Accession A0A075B7H4, Species PONAB (Pongo abelii, Sumatran orangutan), Gene SAE1, Length 382 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.8	Very low	37	Very low	249 Å²	249	157.1 Å²	157.1	100%	1.227	88%	0.879	S	S	*	*				0	123	0	-79.3	166.5	167.5	0	0	108.1
2	R	34.8	Very low	36.7	Very low	256 Å²	256	152.8 Å²	152.8	97%	0.966	88%	0.878	S	S	*	*			trans	-81	146.2	-166.2	-70.4	-178.1	178.8	-152.2	-0.1	112.2
3	R	39	Very low	36.4	Very low	252 Å²	252	152.1 Å²	152.1	95%	0.951	88%	0.878	S	S	*	*			trans	-74.8	148.5	170.5	-68.2	-179.4	177.9	-170.5	-1.2	111.5
4	S	35.9	Very low	36.1	Very low	119 Å²	119	147 Å²	147	83%	0.832	88%	0.875	S	S	*	*			trans	-158.5	124.4	157.7	53	0	0	0	0	111.6
5	T	40.4	Very low	35.7	Very low	142 Å²	142	142.5 Å²	142.5	87%	0.871	87%	0.871	S	S	*	*			trans	-81.3	177.7	170.6	18.2	0	0	0	0	111.7
6	P	43.6	Very low	35.5	Very low	121 Å²	121	140.1 Å²	140.1	79%	0.786	87%	0.871	S	S	*	*			trans	-97.1	161.9	-138.2	39.2	-36.6	0	0	0	115.7
7	G	32.3	Very low	35.2	Very low	81 Å²	81	146.3 Å²	146.3	84%	0.835	87%	0.874	S	S	*	*			trans	-111	126.8	172.1	0	0	0	0	0	112.7
8	V	35.5	Very low	35	Very low	137 Å²	137	145.6 Å²	145.6	83%	0.83	87%	0.87	S	S	*	*			trans	-81.7	148.7	171.2	171.7	0	0	0	0	110.1
9	L	32.6	Very low	34.8	Very low	164 Å²	164	150.7 Å²	150.7	86%	0.859	87%	0.873	S	S	*	*			trans	-172.9	160.5	155.2	-102.1	159.7	0	0	0	110.1
10	P	36.8	Very low	34.5	Very low	110 Å²	110	154.7 Å²	154.7	71%	0.714	87%	0.873	S	S	*	*				-120.9	173.8	-101.8	40.8	-28.1	0	0	0	115.6
11	A	31.5	Very low	34.3	Very low	97 Å²	97	152.4 Å²	152.4	80%	0.802	87%	0.873	S	S	*	*			trans	-66.7	138.6	175.1	0	0	0	0	0	113.9
12	A	33.4	Very low	33.6	Very low	105 Å²	105	146.7 Å²	146.7	87%	0.868	85%	0.852	S	S	*	*			trans	-106.9	122.1	166.4	0	0	0	0	0	110.2
13	V	32.7	Very low	33.4	Very low	144 Å²	144	138.2 Å²	138.2	87%	0.873	84%	0.844	S	S	*	*			trans	-86.5	122.8	176.7	176.4	0	0	0	0	108.6
14	G	31.8	Very low	33	Very low	81 Å²	81	133.6 Å²	133.6	84%	0.835	84%	0.838	S	S	*	*			trans	-125.5	90.9	172.5	0	0	0	0	0	110.5
15	G	30	Very low	32.7	Very low	79 Å²	79	133.9 Å²	133.9	81%	0.814	84%	0.84	S	S	*	*			trans	-81.8	130.4	172.9	0	0	0	0	0	111.5
16	A	32.3	Very low	32	Very low	105 Å²	105	130.1 Å²	130.1	87%	0.868	83%	0.829	S	S	*	*			trans	-118.8	119.2	164.7	0	0	0	0	0	109.3
17	R	31.9	Very low	31.2	Very low	245 Å²	245	136.2 Å²	136.2	93%	0.925	84%	0.838	S	S	*	*			trans	-74.1	139.3	-174.3	-76.6	176.4	175	176.9	-2.4	112.4
18	V	30.3	Very low	31	Very low	134 Å²	134	135.9 Å²	135.9	81%	0.812	84%	0.835	S	S	*	*			trans	-56.1	133	158.7	177	0	0	0	0	110.5
19	R	31.5	Very low	30.7	Very low	242 Å²	242	134.3 Å²	134.3	91%	0.913	84%	0.836	S	S	*	*			trans	-124.2	109.5	159	-78.7	-169.6	176	-169.7	-0.3	109.6
20	R	28.3	Very low	30.6	Very low	231 Å²	231	136 Å²	136	87%	0.872	84%	0.84	S	S	*	*			trans	-64.7	131.1	159.8	-86.9	178.4	171.4	173.4	-3.4	108.6
21	A	31.1	Very low	30.3	Very low	107 Å²	107	135.4 Å²	135.4	88%	0.884	84%	0.844	S	S	*	*			trans	-97.3	119.9	160.2	0	0	0	0	0	108.2
22	V	30.8	Very low	30.2	Very low	129 Å²	129	134.8 Å²	134.8	78%	0.782	85%	0.847	S	S	*	*			trans	-109	130.2	165.2	176.2	0	0	0	0	105.7
23	G	28.9	Very low	30.1	Very low	78 Å²	78	141.3 Å²	141.3	80%	0.804	85%	0.849	S	S	*	*			trans	-160.7	121	173.2	0	0	0	0	0	110.1
24	L	30.8	Very low	30.1	Very low	155 Å²	155	139.8 Å²	139.8	81%	0.812	85%	0.851	S	S	*	*			trans	-94.1	158.3	-167.3	-84.2	139.8	0	0	0	113.8
25	S	29.6	Very low	29.9	Very low	125 Å²	125	139 Å²	139	87%	0.874	84%	0.843	S	S	*	*			trans	69.6	142	152.4	75.5	0	0	0	0	118.2
26	G	27	Very low	30	Very low	63 Å²	63	139.8 Å²	139.8	65%	0.649	84%	0.842	S	S	*	*			cis	172.2	165.7	2.1	0	0	0	0	0	110
27	Y	27.2	Very low	29.8	Very low	248 Å²	248	143.4 Å²	143.4	97%	0.973	84%	0.843	S	S	*	*			trans	68.1	124.2	165.2	-78.8	-90.5	0	0	0	120.9
28	G	26.4	Very low	29.9	Very low	74 Å²	74	138.1 Å²	138.1	76%	0.763	84%	0.838	S	S	*	*			trans	159.6	78.9	156.4	0	0	0	0	0	117.6
29	A	30.4	Very low	29.9	Very low	104 Å²	104	140.1 Å²	140.1	86%	0.86	84%	0.838	S	S	*	*			trans	58.9	118.7	145	0	0	0	0	0	121.9
30	E	29.2	Very low	30	Very low	200 Å²	200	137 Å²	137	94%	0.935	83%	0.831	S	S	*	*			trans	-58.2	137	159.8	-68.7	168.8	123.1	0	0	112.6
31	A	31.9	Very low	30.2	Very low	98 Å²	98	135 Å²	135	81%	0.81	83%	0.832	S	S	*	*			trans	-146.8	104	152.1	0	0	0	0	0	108.2	R33	A31-R33 PolarHBondContact O-N 3.06Å
32	G	28.8	Very low	30.6	Very low	83 Å²	83	138 Å²	138	86%	0.856	83%	0.828	S	S	*	*			trans	-60.7	126	176.7	0	0	0	0	0	111.6
33	R	31.8	Very low	30.9	Very low	243 Å²	243	135.9 Å²	135.9	92%	0.917	82%	0.823	S	S	*	*			trans	-118.3	114.8	156.6	-104.3	-179.7	175.6	179.5	-1.1	107.4	A31 G35	A31-R33 PolarHBondContact O-N 3.06Å; R33-G35 PolarHBondContact O-N 2.99Å
34	A	32.2	Very low	31.5	Very low	111 Å²	111	136.8 Å²	136.8	92%	0.917	83%	0.832	S	S	*	*			trans	-55.3	100.5	170.3	0	0	0	0	0	109.1
35	G	28.2	Very low	32.5	Very low	64 Å²	64	131.2 Å²	131.2	66%	0.66	81%	0.813	S	S	*	*			trans	-75.4	119.3	162.1	0	0	0	0	0	107.2	R33 M37	R33-G35 PolarHBondContact O-N 2.99Å; G35-M37 PolarHBondContact O-N 2.82Å
36	A	32	Very low	34.5	Very low	96 Å²	96	127.7 Å²	127.7	79%	0.793	80%	0.796	S	S	*	*			trans	-51.8	111.5	168.4	0	0	0	0	0	108.2	V38	A36-V38 VanDerWaalsContact C-N 3.35Å; A36-V38 PolarHBondContact O-N 2.82Å
37	M	27.4	Very low	37.2	Very low	181 Å²	181	126.3 Å²	126.3	89%	0.892	77%	0.774	S	S	*	*			trans	-62.9	102.3	166.9	-74.2	179.7	173.7	0	0	106.1	G35 E39	G35-M37 PolarHBondContact O-N 2.82Å; M37-E39 VanDerWaalsContact C-N 3.33Å; M37-E39 PolarHBondContact O-N 2.8Å
38	V	34.7	Very low	40.1	Very low	134 Å²	134	117 Å²	117	81%	0.812	75%	0.745	S	S	*	*			trans	-64.5	105.6	158.6	177.5	0	0	0	0	104.5	A36 K40	A36-V38 VanDerWaalsContact C-N 3.35Å; A36-V38 PolarHBondContact O-N 2.82Å; V38-K40 PolarHBondContact O-N 3.05Å
39	E	29.9	Very low	43.1	Very low	177 Å²	177	122 Å²	122	83%	0.827	75%	0.748	S	S	*	*			trans	-52.9	111.5	170.7	-72.3	-179.7	154.9	0	0	107.4	M37 E41	M37-E39 VanDerWaalsContact C-N 3.33Å; M37-E39 PolarHBondContact O-N 2.8Å; E39-E41 PolarHBondContact O-N 2.79Å
40	K	33.7	Very low	45.8	Very low	175 Å²	175	123.7 Å²	123.7	76%	0.761	74%	0.738	S	S	*	*			trans	-69.5	102.8	173.2	-147.6	-174.4	-176	-165.2	0	104.9	V38 E42	V38-K40 PolarHBondContact O-N 3.05Å; K40-E42 PolarHBondContact O-N 3.07Å
41	E	32.9	Very low	48.6	Very low	191 Å²	191	115 Å²	115	89%	0.893	70%	0.698	S	S	*	*			trans	-61.6	88.2	165.3	-83.4	-174	145.5	0	0	108.1	E39 A43	E39-E41 PolarHBondContact O-N 2.79Å; E41-A43 PolarHBondContact O-N 2.98Å
42	E	38.3	Very low	51.3	Low	170 Å²	170	112.1 Å²	112.1	79%	0.794	67%	0.674	S	S	*	*			trans	-75.6	76.9	159.9	-78.1	-168.5	166.9	0	0	108.4	K40	K40-E42 PolarHBondContact O-N 3.07Å
43	A	38.3	Very low	54.1	Low	83 Å²	83	111.9 Å²	111.9	69%	0.686	66%	0.664	S	S	*	*			trans	-88.4	122.7	153.8	0	0	0	0	0	107.1	E41 G45	E41-A43 PolarHBondContact O-N 2.98Å; A43-G45 PolarHBondContact O-N 2.98Å
44	G	41.9	Very low	57	Low	97 Å²	97	104.3 Å²	104.3	100%	1	64%	0.639	S	S	*	*	S	Bend	trans	-63.7	58.2	-173.7	0	0	0	0	0	116.5
45	G	51.2	Low	59.9	Low	38 Å²	38	99.2 Å²	99.2	39%	0.392	60%	0.596	S	S	.	*			trans	-130	16.6	-178.2	0	0	0	0	0	114.1	A43 K68	A43-G45 PolarHBondContact O-N 2.98Å; G45-K68 VanDerWaalsContact O-CE 3.31Å; G45-K68 WeakPolarHBondContact O-CE 3.27Å
46	G	72.2	Confident	62.9	Low	52 Å²	52	98.1 Å²	98.1	54%	0.536	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-72.6	147	173.1	0	0	0	0	0	112.1	R71	G46-R71 PolarHBondContact O-NH2 3Å
47	I	83	Confident	65.9	Low	33 Å²	33	102.8 Å²	102.8	17%	0.169	57%	0.572	C	S	.	*	P	Polyproline II helix	trans	-73.4	144.5	159.1	56.2	172.8	0	0	0	108.4	E51 A52 I59 L64	I47-E51 WeakPolarHBondContact CA-OE2 3.33Å; I47-E51 HydrophobicContact CB-CB 4.02Å; I47-A52 HydrophobicContact CD1-CB 3.73Å; I47-A52 HydrophobicContact CG1-CB 4.23Å; I47-I59 HydrophobicContact CD1-CD1 3.54Å; I47-L64 HydrophobicContact CD1-CD1 3.35Å; I47-L64 HydrophobicContact CG1-CD1 3.87Å; I47-L64 HydrophobicContact CG2-CD1 4.4Å
48	S	87.4	Confident	68.8	Low	54 Å²	54	96 Å²	96	38%	0.378	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-64.2	162.4	174.8	78.4	0	0	0	0	110.7	E50 E51 A52	S48-E50 VanDerWaalsContact C-N 3.25Å; S48-E50 PolarHBondContact O-N 3.14Å; S48-E51 PolarHBondContact N-OE2 2.93Å; S48-E51 PolarHBondContact O-N 3.15Å; S48-E51 WeakPolarHBondContact OG-CB 3.42Å; S48-E51 VanDerWaalsContact OG-CG 3.29Å; S48-E51 WeakPolarHBondContact OG-CG 3.32Å; S48-E51 PolarHBondContact OG-N 3.39Å; S48-A52 WeakPolarHBondContact O-CB 3.38Å; S48-A52 PolarHBondContact O-N 3.01Å
49	E	89.1	Confident	71.6	Confident	178 Å²	178	91.1 Å²	91.1	83%	0.832	51%	0.507	S	S	*	.	H	α-helix	trans	-61.3	-38.1	175.5	-173.9	178.1	-167.7	0	0	111.6	A52 A53	E49-A52 PolarHBondContact O-N 3.08Å; E49-A53 PolarHBondContact O-N 2.68Å
50	E	88.4	Confident	74.5	Confident	139 Å²	139	91.2 Å²	91.2	65%	0.65	50%	0.5	S	S	*	.	H	α-helix	trans	-63.5	-44.9	175.1	-165.7	-177.9	-176.9	0	0	111.4	S48 A52 A53 Q54 M141	S48-E50 VanDerWaalsContact C-N 3.25Å; S48-E50 PolarHBondContact O-N 3.14Å; E50-A52 VanDerWaalsContact C-N 3.35Å; E50-A52 PolarHBondContact O-N 2.98Å; E50-A53 PolarHBondContact O-N 3.05Å; E50-Q54 WeakPolarHBondContact O-CB 3.47Å; E50-Q54 PolarHBondContact O-N 3.45Å; E50-M141 HydrophobicContact CB-CE 3.84Å; E50-M141 HydrophobicContact CG-CE 3.5Å; E50-M141 VanDerWaalsContact CG-CE 3.5Å
51	E	87.9	Confident	77.2	Confident	19 Å²	19	88.9 Å²	88.9	9%	0.089	50%	0.495	C	S	.	.	H	α-helix	trans	-62.3	-41.5	174.6	-76.8	171.9	154.3	0	0	111.6	I47 S48 A53 Q54 Y55 R71 M141	I47-E51 WeakPolarHBondContact CA-OE2 3.33Å; I47-E51 HydrophobicContact CB-CB 4.02Å; S48-E51 PolarHBondContact N-OE2 2.93Å; S48-E51 PolarHBondContact O-N 3.15Å; S48-E51 WeakPolarHBondContact OG-CB 3.42Å; S48-E51 VanDerWaalsContact OG-CG 3.29Å; S48-E51 WeakPolarHBondContact OG-CG 3.32Å; S48-E51 PolarHBondContact OG-N 3.39Å; E51-A53 VanDerWaalsContact C-N 3.33Å; E51-A53 PolarHBondContact O-N 2.92Å; E51-Q54 PolarHBondContact O-N 2.81Å; E51-Y55 HydrophobicContact CB-CD2 4.07Å; E51-Y55 HydrophobicContact CB-CE2 4.12Å; E51-Y55 HydrophobicContact CG-CE2 4.08Å; E51-Y55 WeakPolarHBondContact O-CB 3.47Å; E51-Y55 WeakPolarHBondContact O-CD2 3.39Å; E51-Y55 PolarHBondContact O-N 3.46Å; E51-R71 VanDerWaalsContact CD-NH1 3.29Å; E51-R71 WeakPolarHBondContact OE1-CD 3.11Å; E51-R71 IonicContact OE1-CZ 2.67Å; E51-R71 IonicContact OE1-NE 3.17Å; E51-R71 IonicContact OE1-NH1 3.87Å; E51-R71 PolarHBondContact OE1-NH1 3.26Å; E51-R71 IonicContact OE2-CZ 2.75Å; E51-R71 IonicContact OE2-NH1 3.62Å; E51-R71 PolarHBondContact OE2-NH1 3.48Å; E51-M141 HydrophobicContact CB-CE 4.44Å; E51-M141 HydrophobicContact CB-SD 4.25Å; E51-M141 HydrophobicContact CG-CE 3.74Å; E51-M141 HydrophobicContact CG-SD 3.28Å; E51-M141 WeakPolarHBondContact CG-SD 3.38Å
52	A	87.4	Confident	79.9	Confident	37 Å²	37	81 Å²	81	31%	0.306	46%	0.457	S	S	.	.	H	α-helix	trans	-63.9	-39.7	178.1	0	0	0	0	0	111.8	I47 S48 E49 E50 D56	I47-A52 HydrophobicContact CD1-CB 3.73Å; I47-A52 HydrophobicContact CG1-CB 4.23Å; S48-A52 WeakPolarHBondContact O-CB 3.38Å; S48-A52 PolarHBondContact O-N 3.01Å; E49-A52 PolarHBondContact O-N 3.08Å; E50-A52 VanDerWaalsContact C-N 3.35Å; E50-A52 PolarHBondContact O-N 2.98Å; A52-D56 WeakPolarHBondContact O-CA 3.42Å; A52-D56 WeakPolarHBondContact O-CB 3.36Å; A52-D56 PolarHBondContact O-N 3.43Å; A52-D56 VanDerWaalsContact O-N 3.12Å
53	A	88.7	Confident	82.4	Confident	78 Å²	78	74.2 Å²	74.2	65%	0.645	43%	0.433	S	S	*	.	H	α-helix	trans	-69.2	-45.4	175.5	0	0	0	0	0	112	E49 E50 E51	E49-A53 PolarHBondContact O-N 2.68Å; E50-A53 PolarHBondContact O-N 3.05Å; E51-A53 VanDerWaalsContact C-N 3.33Å; E51-A53 PolarHBondContact O-N 2.92Å
54	Q	91.3	Very high	85	Confident	83 Å²	83	73.5 Å²	73.5	39%	0.388	42%	0.418	S	S	.	.	H	α-helix	trans	-65.6	-43.4	-178.9	-177.9	170	-25	0	0	112.1	E50 E51 N139	E50-Q54 WeakPolarHBondContact O-CB 3.47Å; E50-Q54 PolarHBondContact O-N 3.45Å; E51-Q54 PolarHBondContact O-N 2.81Å; Q54-N139 PolarHBondContact NE2-ND2 2.72Å; Q54-N139 PolarHBondContact NE2-OD1 3.41Å
55	Y	93.4	Very high	87.5	Confident	4 Å²	4	73.8 Å²	73.8	2%	0.016	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	10.7	-177.5	-55.7	-48.1	0	0	0	113.7	E51 R57 Q58 I59 Q67 G95 N139 M141	E51-Y55 HydrophobicContact CB-CD2 4.07Å; E51-Y55 HydrophobicContact CB-CE2 4.12Å; E51-Y55 HydrophobicContact CG-CE2 4.08Å; E51-Y55 WeakPolarHBondContact O-CB 3.47Å; E51-Y55 WeakPolarHBondContact O-CD2 3.39Å; E51-Y55 PolarHBondContact O-N 3.46Å; Y55-R57 VanDerWaalsContact C-N 3.27Å; Y55-R57 PolarHBondContact O-N 3.23Å; Y55-R57 VanDerWaalsContact O-N 3.16Å; Y55-Q58 HydrophobicContact CD1-CG 4.24Å; Y55-Q58 VanDerWaalsContact CD1-NE2 3.29Å; Y55-Q58 HydrophobicContact CG-CG 4.33Å; Y55-Q58 WeakPolarHBondContact O-CG 3.35Å; Y55-Q58 PolarHBondContact O-N 2.69Å; Y55-Q58 VanDerWaalsContact O-N 3.17Å; Y55-I59 WeakPolarHBondContact O-CB 3.32Å; Y55-I59 VanDerWaalsContact O-CG1 3.24Å; Y55-I59 WeakPolarHBondContact O-CG1 3.5Å; Y55-I59 PolarHBondContact O-N 3.06Å; Y55-Q67 HydrophobicContact CD2-CG 4.39Å; Y55-G95 VanDerWaalsContact OH-CA 3.31Å; Y55-G95 WeakPolarHBondContact OH-CA 3.49Å; Y55-N139 PolarHBondContact OH-ND2 3.25Å; Y55-M141 HydrophobicContact CE2-SD 4.15Å
56	D	92.6	Very high	89.5	Confident	41 Å²	41	72.1 Å²	72.1	22%	0.219	38%	0.375	C	S	.	.	H	α-helix	trans	-51.1	-45.6	-176.4	171.7	85.6	0	0	0	112.3	A52 R60	A52-D56 WeakPolarHBondContact O-CA 3.42Å; A52-D56 WeakPolarHBondContact O-CB 3.36Å; A52-D56 PolarHBondContact O-N 3.43Å; A52-D56 VanDerWaalsContact O-N 3.12Å; D56-R60 VanDerWaalsContact CG-NE 3.28Å; D56-R60 VanDerWaalsContact O-CG 3.22Å; D56-R60 WeakPolarHBondContact O-CG 3.42Å; D56-R60 PolarHBondContact O-N 3.2Å; D56-R60 IonicContact OD1-CZ 2.63Å; D56-R60 IonicContact OD1-NE 2.72Å; D56-R60 PolarHBondContact OD1-NE 2.84Å; D56-R60 VanDerWaalsContact OD1-NE 3.1Å; D56-R60 IonicContact OD1-NH2 3.99Å; D56-R60 PolarHBondContact OD1-NH2 2.88Å; D56-R60 IonicContact OD2-CZ 2.97Å; D56-R60 IonicContact OD2-NE 3.33Å; D56-R60 PolarHBondContact OD2-NE 3.29Å; D56-R60 IonicContact OD2-NH2 3.86Å
57	R	93.6	Very high	90.7	Very high	195 Å²	195	69.7 Å²	69.7	74%	0.736	35%	0.35	S	S	*	.	H	α-helix	trans	-67.7	-40.6	-177.6	-64.9	-58.4	-170.1	-98.4	-2	113.3	Y55 L61	Y55-R57 VanDerWaalsContact C-N 3.27Å; Y55-R57 PolarHBondContact O-N 3.23Å; Y55-R57 VanDerWaalsContact O-N 3.16Å; R57-L61 PolarHBondContact O-N 2.98Å
58	Q	89.7	Confident	91.3	Very high	38 Å²	38	71.1 Å²	71.1	18%	0.178	36%	0.355	C	S	.	.	H	α-helix	trans	-77.4	-34	178.5	62.5	-172.4	69.5	0	0	112.1	Y55 R60 L61 W62 A94	Y55-Q58 HydrophobicContact CD1-CG 4.24Å; Y55-Q58 VanDerWaalsContact CD1-NE2 3.29Å; Y55-Q58 HydrophobicContact CG-CG 4.33Å; Y55-Q58 WeakPolarHBondContact O-CG 3.35Å; Y55-Q58 PolarHBondContact O-N 2.69Å; Y55-Q58 VanDerWaalsContact O-N 3.17Å; Q58-R60 VanDerWaalsContact C-N 3.27Å; Q58-R60 PolarHBondContact O-N 3.21Å; Q58-L61 WeakPolarHBondContact O-CA 3.31Å; Q58-L61 WeakPolarHBondContact O-CB 3.21Å; Q58-L61 PolarHBondContact O-N 3.07Å; Q58-W62 HydrophobicContact CB-CH2 4.1Å; Q58-W62 HydrophobicContact CB-CZ2 3.59Å; Q58-W62 HydrophobicContact CG-CZ2 3.94Å; Q58-W62 PolarHBondContact O-N 2.98Å; Q58-W62 PolarHBondContact O-NE1 2.69Å; Q58-A94 PolarHBondContact NE2-O 2.86Å
59	I	91.8	Very high	91.7	Very high	31 Å²	31	72.4 Å²	72.4	16%	0.159	35%	0.351	C	S	.	.	H	α-helix	trans	-61.3	-37.9	171.7	-70.4	167	0	0	0	110.6	I47 Y55 L61 G63 L64 Q67	I47-I59 HydrophobicContact CD1-CD1 3.54Å; Y55-I59 WeakPolarHBondContact O-CB 3.32Å; Y55-I59 VanDerWaalsContact O-CG1 3.24Å; Y55-I59 WeakPolarHBondContact O-CG1 3.5Å; Y55-I59 PolarHBondContact O-N 3.06Å; I59-L61 PolarHBondContact O-N 2.77Å; I59-G63 WeakPolarHBondContact O-CA 3.41Å; I59-G63 PolarHBondContact O-N 2.75Å; I59-L64 HydrophobicContact CD1-CD1 4.37Å; I59-L64 HydrophobicContact CG2-CB 4.31Å; I59-Q67 HydrophobicContact CD1-CG 4.33Å; I59-Q67 HydrophobicContact CG1-CB 3.98Å; I59-Q67 HydrophobicContact CG1-CG 3.97Å
60	R	90.8	Very high	92.1	Very high	179 Å²	179	64 Å²	64	68%	0.675	31%	0.312	S	S	*	.	H	α-helix	trans	-64.3	-25	173.4	-72.7	169.5	-167.8	-77.7	-9.4	113.4	D56 Q58	D56-R60 VanDerWaalsContact CG-NE 3.28Å; D56-R60 VanDerWaalsContact O-CG 3.22Å; D56-R60 WeakPolarHBondContact O-CG 3.42Å; D56-R60 PolarHBondContact O-N 3.2Å; D56-R60 IonicContact OD1-CZ 2.63Å; D56-R60 IonicContact OD1-NE 2.72Å; D56-R60 PolarHBondContact OD1-NE 2.84Å; D56-R60 VanDerWaalsContact OD1-NE 3.1Å; D56-R60 IonicContact OD1-NH2 3.99Å; D56-R60 PolarHBondContact OD1-NH2 2.88Å; D56-R60 IonicContact OD2-CZ 2.97Å; D56-R60 IonicContact OD2-NE 3.33Å; D56-R60 PolarHBondContact OD2-NE 3.29Å; D56-R60 IonicContact OD2-NH2 3.86Å; Q58-R60 VanDerWaalsContact C-N 3.27Å; Q58-R60 PolarHBondContact O-N 3.21Å
61	L	91.4	Very high	92.5	Very high	126 Å²	126	61.2 Å²	61.2	66%	0.66	30%	0.296	S	S	*	.	H	α-helix	trans	-84.6	-54.6	-179	-176	67.4	0	0	0	111.7	R57 Q58 I59	R57-L61 PolarHBondContact O-N 2.98Å; Q58-L61 WeakPolarHBondContact O-CA 3.31Å; Q58-L61 WeakPolarHBondContact O-CB 3.21Å; Q58-L61 PolarHBondContact O-N 3.07Å; I59-L61 PolarHBondContact O-N 2.77Å
62	W	89.1	Confident	92.9	Very high	26 Å²	26	63.2 Å²	63.2	10%	0.098	32%	0.315	C	S	.	.	H	α-helix	trans	-109.5	-3.7	-173	50.9	52.7	0	0	0	115.2	Q58 A66 L70 V351 R357	Q58-W62 HydrophobicContact CB-CH2 4.1Å; Q58-W62 HydrophobicContact CB-CZ2 3.59Å; Q58-W62 HydrophobicContact CG-CZ2 3.94Å; Q58-W62 PolarHBondContact O-N 2.98Å; Q58-W62 PolarHBondContact O-NE1 2.69Å; W62-A66 HydrophobicContact CB-CB 4.05Å; W62-A66 HydrophobicContact CG-CB 4.16Å; W62-A66 WeakPolarHBondContact O-CB 3.27Å; W62-L70 HydrophobicContact CZ2-CD2 4.25Å; W62-V351 HydrophobicContact CE3-CG1 4.22Å; W62-V351 HydrophobicContact CH2-CG1 3.78Å; W62-V351 HydrophobicContact CZ2-CG1 4.33Å; W62-V351 HydrophobicContact CZ3-CG1 3.72Å; W62-R357 WeakPolarHBondContact O-CD 3.23Å; W62-R357 PolarHBondContact O-NE 2.73Å
63	G	92	Very high	93.5	Very high	28 Å²	28	62 Å²	62	29%	0.289	30%	0.304	S	S	.	.			trans	85.3	159	177.8	0	0	0	0	0	114.1	I59 E65 A66 Q67	I59-G63 WeakPolarHBondContact O-CA 3.41Å; I59-G63 PolarHBondContact O-N 2.75Å; G63-E65 PolarHBondContact O-N 3.26Å; G63-A66 PolarHBondContact O-N 3.06Å; G63-Q67 PolarHBondContact O-N 3.24Å
64	L	92.7	Very high	94	Very high	68 Å²	68	60.9 Å²	60.9	36%	0.356	28%	0.284	S	S	.	.	H	α-helix	trans	-63.5	-39.5	-174.7	180	59.9	0	0	0	113.1	I47 I59 A66 Q67 K68	I47-L64 HydrophobicContact CD1-CD1 3.35Å; I47-L64 HydrophobicContact CG1-CD1 3.87Å; I47-L64 HydrophobicContact CG2-CD1 4.4Å; I59-L64 HydrophobicContact CD1-CD1 4.37Å; I59-L64 HydrophobicContact CG2-CB 4.31Å; L64-A66 VanDerWaalsContact C-N 3.35Å; L64-A66 PolarHBondContact O-N 2.72Å; L64-Q67 WeakPolarHBondContact O-CB 3.04Å; L64-Q67 PolarHBondContact O-N 2.67Å; L64-K68 WeakPolarHBondContact O-CG 3.44Å; L64-K68 PolarHBondContact O-N 2.85Å
65	E	93.1	Very high	94.3	Very high	103 Å²	103	56.9 Å²	56.9	48%	0.481	27%	0.265	S	S	.	.	H	α-helix	trans	-68.6	-33.9	-178.5	-65.5	-55	126	0	0	112.6	G63 K68 R69	G63-E65 PolarHBondContact O-N 3.26Å; E65-K68 PolarHBondContact O-N 3.17Å; E65-K68 IonicContact OE1-NZ 2.68Å; E65-K68 PolarHBondContact OE1-NZ 3.49Å; E65-R69 PolarHBondContact O-N 3.49Å; E65-R69 VanDerWaalsContact O-N 3.17Å
66	A	94.5	Very high	94.6	Very high	2 Å²	2	56.7 Å²	56.7	2%	0.017	26%	0.264	C	S	.	.	H	α-helix	trans	-63.6	-44.2	171.3	0	0	0	0	0	110.8	W62 G63 L64 K68 R69 L70 R357	W62-A66 HydrophobicContact CB-CB 4.05Å; W62-A66 HydrophobicContact CG-CB 4.16Å; W62-A66 WeakPolarHBondContact O-CB 3.27Å; G63-A66 PolarHBondContact O-N 3.06Å; L64-A66 VanDerWaalsContact C-N 3.35Å; L64-A66 PolarHBondContact O-N 2.72Å; A66-K68 PolarHBondContact O-N 2.9Å; A66-R69 PolarHBondContact O-N 3.12Å; A66-L70 PolarHBondContact O-N 3.27Å; A66-R357 HydrophobicContact CB-CB 4.49Å
67	Q	96.4	Very high	94.9	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-62.4	-40.7	176.7	-169.3	62.5	32.1	0	0	112.4	Y55 I59 G63 L64 L70 R71 A94	Y55-Q67 HydrophobicContact CD2-CG 4.39Å; I59-Q67 HydrophobicContact CD1-CG 4.33Å; I59-Q67 HydrophobicContact CG1-CB 3.98Å; I59-Q67 HydrophobicContact CG1-CG 3.97Å; G63-Q67 PolarHBondContact O-N 3.24Å; L64-Q67 WeakPolarHBondContact O-CB 3.04Å; L64-Q67 PolarHBondContact O-N 2.67Å; Q67-L70 PolarHBondContact O-N 2.92Å; Q67-R71 WeakPolarHBondContact O-CB 3.11Å; Q67-R71 PolarHBondContact O-N 2.84Å; Q67-A94 PolarHBondContact NE2-O 2.78Å; Q67-A94 VanDerWaalsContact NE2-O 3.09Å
68	K	95.5	Very high	95.2	Very high	63 Å²	63	45.8 Å²	45.8	27%	0.274	22%	0.221	S	C	.	.	H	α-helix	trans	-61.2	-44.1	176.5	-75.3	177.4	-178.7	168.6	0	112.2	G45 L64 E65 A66 R71 A72	G45-K68 VanDerWaalsContact O-CE 3.31Å; G45-K68 WeakPolarHBondContact O-CE 3.27Å; L64-K68 WeakPolarHBondContact O-CG 3.44Å; L64-K68 PolarHBondContact O-N 2.85Å; E65-K68 PolarHBondContact O-N 3.17Å; E65-K68 IonicContact OE1-NZ 2.68Å; E65-K68 PolarHBondContact OE1-NZ 3.49Å; A66-K68 PolarHBondContact O-N 2.9Å; K68-R71 PolarHBondContact O-N 3.23Å; K68-A72 PolarHBondContact O-N 3.43Å; K68-A72 VanDerWaalsContact O-N 3.14Å
69	R	97.3	Very high	95.6	Very high	81 Å²	81	44.3 Å²	44.3	31%	0.306	22%	0.215	S	C	.	.	H	α-helix	trans	-62.6	-42.7	175.6	-74.7	-169.4	-70.5	-85.6	3.7	111.6	E65 A66 A72 S73 S355	E65-R69 PolarHBondContact O-N 3.49Å; E65-R69 VanDerWaalsContact O-N 3.17Å; A66-R69 PolarHBondContact O-N 3.12Å; R69-A72 PolarHBondContact O-N 3.15Å; R69-A72 VanDerWaalsContact O-N 3.16Å; R69-S73 PolarHBondContact O-N 2.75Å; R69-S73 PolarHBondContact O-OG 3.27Å; R69-S355 PolarHBondContact NE-O 3.09Å; R69-S355 PolarHBondContact NH2-O 2.8Å
70	L	96.4	Very high	95.9	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-46.7	176.7	-169.2	65.9	0	0	0	111.8	W62 A66 Q67 A72 S73 A94 V96 K97 V351 L354	W62-L70 HydrophobicContact CZ2-CD2 4.25Å; A66-L70 PolarHBondContact O-N 3.27Å; Q67-L70 PolarHBondContact O-N 2.92Å; L70-A72 PolarHBondContact O-N 2.87Å; L70-S73 WeakPolarHBondContact O-CB 3.27Å; L70-S73 PolarHBondContact O-N 2.83Å; L70-A94 HydrophobicContact CD2-CB 3.92Å; L70-A94 VanDerWaalsContact CD2-O 3.29Å; L70-A94 WeakPolarHBondContact CD2-O 3.31Å; L70-V96 HydrophobicContact CD1-CG1 3.73Å; L70-V96 HydrophobicContact CG-CG1 4.12Å; L70-V96 WeakPolarHBondContact O-CA 3.32Å; L70-K97 PolarHBondContact O-N 3.37Å; L70-V351 HydrophobicContact CD1-CG1 4.45Å; L70-V351 HydrophobicContact CD1-CG2 4.26Å; L70-V351 HydrophobicContact CD2-CG1 4.18Å; L70-V351 HydrophobicContact CD2-CG2 4.42Å; L70-L354 HydrophobicContact CD1-CB 4.06Å; L70-L354 HydrophobicContact CD1-CD1 4.03Å
71	R	96.1	Very high	96.2	Very high	81 Å²	81	36.5 Å²	36.5	31%	0.306	19%	0.185	S	C	.	.	H	α-helix	trans	-62.7	-21.2	176.3	-165	-175.1	72.7	145.3	-4.1	113.7	G46 E51 Q67 K68 G95 K97	G46-R71 PolarHBondContact O-NH2 3Å; E51-R71 VanDerWaalsContact CD-NH1 3.29Å; E51-R71 WeakPolarHBondContact OE1-CD 3.11Å; E51-R71 IonicContact OE1-CZ 2.67Å; E51-R71 IonicContact OE1-NE 3.17Å; E51-R71 IonicContact OE1-NH1 3.87Å; E51-R71 PolarHBondContact OE1-NH1 3.26Å; E51-R71 IonicContact OE2-CZ 2.75Å; E51-R71 IonicContact OE2-NH1 3.62Å; E51-R71 PolarHBondContact OE2-NH1 3.48Å; Q67-R71 WeakPolarHBondContact O-CB 3.11Å; Q67-R71 PolarHBondContact O-N 2.84Å; K68-R71 PolarHBondContact O-N 3.23Å; R71-G95 WeakPolarHBondContact CA-O 3.36Å; R71-K97 VanDerWaalsContact O-CA 3.27Å; R71-K97 WeakPolarHBondContact O-CA 3.47Å; R71-K97 WeakPolarHBondContact O-CB 3.39Å
72	A	98	Very high	96.5	Very high	61 Å²	61	30.6 Å²	30.6	50%	0.504	16%	0.155	S	C	.	.	H	α-helix	trans	-88	-12	175.5	0	0	0	0	0	113.3	K68 R69 L70 K97	K68-A72 PolarHBondContact O-N 3.43Å; K68-A72 VanDerWaalsContact O-N 3.14Å; R69-A72 PolarHBondContact O-N 3.15Å; R69-A72 VanDerWaalsContact O-N 3.16Å; L70-A72 PolarHBondContact O-N 2.87Å; A72-K97 WeakPolarHBondContact O-CD 3.45Å
73	S	98.8	Very high	97	Very high	11 Å²	11	29.4 Å²	29.4	8%	0.077	15%	0.151	C	C	.	.			trans	-95	135.8	-170.3	-60.2	0	0	0	0	113.2	R69 L70 K97 D163	R69-S73 PolarHBondContact O-N 2.75Å; R69-S73 PolarHBondContact O-OG 3.27Å; L70-S73 WeakPolarHBondContact O-CB 3.27Å; L70-S73 PolarHBondContact O-N 2.83Å; S73-K97 WeakPolarHBondContact O-CA 3.39Å; S73-K97 WeakPolarHBondContact O-CB 3.32Å; S73-K97 PolarHBondContact O-N 2.97Å; S73-D163 VanDerWaalsContact CA-OD2 3.26Å; S73-D163 WeakPolarHBondContact CA-OD2 2.99Å
74	R	98.9	Very high	97.3	Very high	55 Å²	55	28.1 Å²	28.1	21%	0.208	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.4	173	-168.5	-179.4	-76.2	113.8	-1.6	111.2	G98 Q161 F162 D163	R74-G98 WeakPolarHBondContact CA-O 3.38Å; R74-G98 WeakPolarHBondContact CG-O 3.49Å; R74-Q161 PolarHBondContact NH1-O 3.47Å; R74-F162 HydrophobicContact CB-CD1 4.4Å; R74-F162 HydrophobicContact CG-CD1 3.74Å; R74-F162 HydrophobicContact CG-CE1 4Å; R74-D163 PolarHBondContact N-OD2 3.33Å; R74-D163 PolarHBondContact O-N 2.84Å
75	V	98.9	Very high	97.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	137.7	-178.8	-174.2	0	0	0	0	110.9	L91 V96 G98 L99 T100 A164 I350 L354	V75-L91 HydrophobicContact CB-CD1 4.38Å; V75-L91 HydrophobicContact CG1-CD1 3.9Å; V75-L91 HydrophobicContact CG2-CD1 4.49Å; V75-V96 HydrophobicContact CG2-CG1 4.2Å; V75-G98 PolarHBondContact N-O 3.21Å; V75-L99 HydrophobicContact CB-CD1 3.9Å; V75-L99 HydrophobicContact CG1-CD1 4.06Å; V75-L99 WeakPolarHBondContact O-CA 3.21Å; V75-T100 PolarHBondContact O-N 2.94Å; V75-A164 WeakPolarHBondContact CA-O 3.47Å; V75-A164 HydrophobicContact CG2-CB 4.48Å; V75-I350 HydrophobicContact CG2-CG2 4.38Å; V75-L354 HydrophobicContact CG2-CD1 3.67Å
76	L	98.9	Very high	97.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	128.7	162.8	175.9	65.3	0	0	0	108.8	V78 T100 L102 I151 F158 F159 F162 A164 V165 C166	L76-V78 HydrophobicContact CD1-CG2 4.44Å; L76-V78 HydrophobicContact CD2-CG2 4.23Å; L76-V78 HydrophobicContact CG-CG2 4.1Å; L76-T100 HydrophobicContact CD1-CG2 4.08Å; L76-L102 HydrophobicContact CD1-CB 3.96Å; L76-L102 HydrophobicContact CD1-CD1 4.36Å; L76-I151 HydrophobicContact CD2-CD1 4.48Å; L76-F158 HydrophobicContact CD1-CE1 4.11Å; L76-F158 HydrophobicContact CD1-CZ 4.12Å; L76-F158 HydrophobicContact CD2-CD1 4.46Å; L76-F158 HydrophobicContact CD2-CE1 3.68Å; L76-F158 HydrophobicContact CD2-CZ 4.48Å; L76-F159 HydrophobicContact CD2-CD1 3.97Å; L76-F159 HydrophobicContact CD2-CE1 3.99Å; L76-F162 HydrophobicContact CB-CB 4.36Å; L76-F162 HydrophobicContact CB-CD1 3.77Å; L76-F162 HydrophobicContact CB-CD2 3.7Å; L76-F162 HydrophobicContact CB-CE1 3.93Å; L76-F162 HydrophobicContact CB-CE2 3.85Å; L76-F162 HydrophobicContact CB-CG 3.68Å; L76-F162 HydrophobicContact CB-CZ 3.96Å; L76-F162 HydrophobicContact CD1-CE2 4.1Å; L76-F162 HydrophobicContact CD1-CZ 3.97Å; L76-F162 HydrophobicContact CD2-CD2 4.14Å; L76-F162 HydrophobicContact CD2-CE2 4.01Å; L76-F162 HydrophobicContact CG-CD2 4.41Å; L76-F162 HydrophobicContact CG-CE2 4.21Å; L76-F162 HydrophobicContact CG-CZ 4.41Å; L76-A164 PolarHBondContact N-O 3.17Å; L76-V165 HydrophobicContact CB-CG2 4.14Å; L76-V165 HydrophobicContact CD2-CG1 4.02Å; L76-V165 HydrophobicContact CD2-CG2 4.16Å; L76-V165 HydrophobicContact CG-CG1 4.45Å; L76-V165 WeakPolarHBondContact O-CA 3.5Å; L76-C166 PolarHBondContact O-N 3.33Å
77	L	98.9	Very high	98.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	120.3	172.9	175	64.2	0	0	0	109.2	L80 G84 I87 A88 L99 T100 L102 C166 T168	L77-L80 HydrophobicContact CG-CD2 4.5Å; L77-G84 WeakPolarHBondContact CD2-O 3.26Å; L77-I87 HydrophobicContact CD1-CB 4.32Å; L77-I87 HydrophobicContact CD1-CD1 4.28Å; L77-I87 HydrophobicContact CD1-CG2 3.99Å; L77-I87 HydrophobicContact CD2-CB 4.2Å; L77-I87 HydrophobicContact CD2-CG2 4.14Å; L77-A88 HydrophobicContact CD2-CB 3.75Å; L77-L99 HydrophobicContact CB-CD1 3.88Å; L77-T100 PolarHBondContact N-O 2.84Å; L77-L102 PolarHBondContact O-N 3.38Å; L77-C166 WeakPolarHBondContact CA-O 3.4Å; L77-C166 HydrophobicContact CD1-CB 3.93Å; L77-T168 HydrophobicContact CD1-CG2 4.48Å
78	V	98.9	Very high	98.2	Very high	7 Å²	7	21.2 Å²	21.2	4%	0.042	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.8	179.9	-179.4	0	0	0	0	110.1	L76 L102 I151 C166 L167 T168	L76-V78 HydrophobicContact CD1-CG2 4.44Å; L76-V78 HydrophobicContact CD2-CG2 4.23Å; L76-V78 HydrophobicContact CG-CG2 4.1Å; V78-L102 CarbonylContact C-O 3.59Å; V78-L102 VanDerWaalsContact CA-O 3.29Å; V78-L102 WeakPolarHBondContact CA-O 3.41Å; V78-L102 HydrophobicContact CG1-CD2 3.87Å; V78-L102 HydrophobicContact CG2-CB 4.26Å; V78-L102 HydrophobicContact CG2-CD2 4.21Å; V78-I151 HydrophobicContact CG1-CB 4.12Å; V78-I151 HydrophobicContact CG1-CG1 4.28Å; V78-I151 HydrophobicContact CG1-CG2 4.24Å; V78-I151 HydrophobicContact CG2-CD1 3.79Å; V78-I151 HydrophobicContact CG2-CG1 4.06Å; V78-C166 PolarHBondContact N-O 3.16Å; V78-L167 HydrophobicContact CB-CD2 3.57Å; V78-L167 HydrophobicContact CG1-CD2 4.25Å; V78-L167 HydrophobicContact CG2-CD2 3.42Å; V78-L167 VanDerWaalsContact CG2-CD2 3.42Å; V78-T168 PolarHBondContact O-N 3.14Å; V78-T168 PolarHBondContact O-OG1 2.9Å
79	G	98.4	Very high	98.3	Very high	6 Å²	6	20.5 Å²	20.5	6%	0.062	10%	0.099	C	C	.	.			trans	87.9	114.9	-179.3	0	0	0	0	0	112.3	G84 L102 T168	G79-G84 WeakPolarHBondContact O-CA 3.26Å; G79-L102 PolarHBondContact N-O 2.89Å; G79-T168 PolarHBondContact O-OG1 2.91Å; G79-T168 VanDerWaalsContact O-OG1 3.09Å
80	L	98.2	Very high	98.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.095	C	C	.	.			trans	-113.7	41	-173.7	-93.3	-64.2	0	0	0	112.5	L77 A88 M101 D103 Q115 R127	L77-L80 HydrophobicContact CG-CD2 4.5Å; L80-A88 HydrophobicContact CD1-CB 4.46Å; L80-M101 HydrophobicContact CD1-CG 4.27Å; L80-M101 HydrophobicContact CD1-SD 3.75Å; L80-M101 HydrophobicContact CD2-CB 3.72Å; L80-M101 HydrophobicContact CD2-CG 4.16Å; L80-M101 HydrophobicContact CG-CB 4.1Å; L80-M101 HydrophobicContact CG-CG 4.39Å; L80-M101 HydrophobicContact CG-SD 4.25Å; L80-D103 HydrophobicContact CB-CB 4.19Å; L80-D103 PolarHBondContact N-OD2 2.94Å; L80-Q115 VanDerWaalsContact O-CG 3.29Å; L80-Q115 WeakPolarHBondContact O-CG 3.42Å; L80-Q115 PolarHBondContact O-NE2 3.42Å; L80-R127 HydrophobicContact CB-CB 4.4Å
81	K	97.4	Very high	98.5	Very high	47 Å²	47	18.5 Å²	18.5	20%	0.204	10%	0.095	C	C	.	.	S	Bend	trans	-77.4	-159.5	166.7	-51.6	-162.3	71.6	-158.2	0	111.4	G84 A85 R127 C169 E334	K81-G84 PolarHBondContact O-N 3.01Å; K81-A85 WeakPolarHBondContact O-CB 3.45Å; K81-A85 PolarHBondContact O-N 2.81Å; K81-R127 VanDerWaalsContact CE-NH1 3.28Å; K81-R127 VanDerWaalsContact CG-NH1 3.34Å; K81-C169 HydrophobicContact CD-CB 4.45Å; K81-C169 VanDerWaalsContact CD-SG 3.56Å; K81-E334 WeakPolarHBondContact CB-OE1 3.42Å; K81-E334 WeakPolarHBondContact CB-OE2 3.46Å; K81-E334 WeakPolarHBondContact CD-OE1 3.43Å; K81-E334 WeakPolarHBondContact CE-OE1 3.21Å; K81-E334 IonicContact NZ-OE1 3.51Å; K81-E334 PolarHBondContact NZ-OE1 2.85Å
82	G	97.9	Very high	98.7	Very high	2 Å²	2	14.6 Å²	14.6	2%	0.021	8%	0.08	C	C	.	.	H	α-helix	trans	-62.1	-48.4	-175.6	0	0	0	0	0	112.6	A85 E86 A114 E334	G82-A85 PolarHBondContact O-N 3.06Å; G82-E86 PolarHBondContact O-N 2.75Å; G82-A114 WeakPolarHBondContact CA-O 3.16Å; G82-E334 WeakPolarHBondContact CA-OE2 3.34Å; G82-E334 PolarHBondContact N-OE2 3.18Å
83	L	98.6	Very high	98.7	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-62.2	-46.2	176.9	178.2	62.2	0	0	0	111.9	A85 E86 I87 T168 G192 V194 V342 G343	L83-A85 VanDerWaalsContact C-N 3.33Å; L83-A85 PolarHBondContact O-N 2.85Å; L83-E86 PolarHBondContact O-N 2.76Å; L83-I87 HydrophobicContact CD1-CD1 4.04Å; L83-I87 HydrophobicContact CD1-CG1 4.26Å; L83-I87 HydrophobicContact CD2-CD1 4.41Å; L83-I87 HydrophobicContact CG-CD1 3.81Å; L83-I87 HydrophobicContact CG-CG1 4.46Å; L83-I87 WeakPolarHBondContact O-CG1 3.19Å; L83-I87 PolarHBondContact O-N 2.89Å; L83-T168 HydrophobicContact CD2-CG2 3.86Å; L83-T168 HydrophobicContact CG-CG2 4.1Å; L83-G192 VanDerWaalsContact CD2-C 3.49Å; L83-G192 WeakPolarHBondContact CD2-O 3.15Å; L83-V194 HydrophobicContact CB-CG2 4.37Å; L83-V194 HydrophobicContact CD1-CG2 4.32Å; L83-V194 HydrophobicContact CD2-CG2 4.36Å; L83-V342 HydrophobicContact CD1-CB 3.98Å; L83-V342 HydrophobicContact CD1-CG1 3.82Å; L83-V342 HydrophobicContact CD2-CG1 4.33Å; L83-G343 VanDerWaalsContact CD1-N 3.32Å
84	G	98.8	Very high	98.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58	-42.6	177.4	0	0	0	0	0	112.7	L77 G79 K81 E86 I87 A88	L77-G84 WeakPolarHBondContact CD2-O 3.26Å; G79-G84 WeakPolarHBondContact O-CA 3.26Å; K81-G84 PolarHBondContact O-N 3.01Å; G84-E86 PolarHBondContact O-N 2.98Å; G84-I87 PolarHBondContact O-N 2.74Å; G84-A88 VanDerWaalsContact O-CB 3.3Å; G84-A88 WeakPolarHBondContact O-CB 3.45Å; G84-A88 PolarHBondContact O-N 2.82Å
85	A	98.7	Very high	98.6	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-61.5	-41.1	176.9	0	0	0	0	0	112.8	K81 G82 L83 K89 Q115 F116 L117	K81-A85 WeakPolarHBondContact O-CB 3.45Å; K81-A85 PolarHBondContact O-N 2.81Å; G82-A85 PolarHBondContact O-N 3.06Å; L83-A85 VanDerWaalsContact C-N 3.33Å; L83-A85 PolarHBondContact O-N 2.85Å; A85-K89 WeakPolarHBondContact O-CB 3.25Å; A85-K89 PolarHBondContact O-N 3.3Å; A85-Q115 HydrophobicContact CB-CG 4.16Å; A85-F116 HydrophobicContact CB-CD1 4.37Å; A85-F116 HydrophobicContact CB-CE1 3.94Å; A85-F116 HydrophobicContact CB-CZ 4.28Å; A85-L117 HydrophobicContact CB-CD1 3.87Å; A85-L117 HydrophobicContact CB-CG 4.12Å
86	E	98.9	Very high	98.6	Very high	29 Å²	29	12.9 Å²	12.9	14%	0.136	7%	0.067	C	C	.	.	H	α-helix	trans	-65.3	-45.4	176.4	-76.4	-70.2	173	0	0	112.1	G82 L83 G84 K89 N90 F116 C339	G82-E86 PolarHBondContact O-N 2.75Å; L83-E86 PolarHBondContact O-N 2.76Å; G84-E86 PolarHBondContact O-N 2.98Å; E86-K89 PolarHBondContact O-N 3.33Å; E86-K89 IonicContact OE2-NZ 2.77Å; E86-K89 PolarHBondContact OE2-NZ 3.45Å; E86-N90 WeakPolarHBondContact O-CB 3.43Å; E86-N90 VanDerWaalsContact O-CG 3.29Å; E86-N90 PolarHBondContact O-N 2.92Å; E86-N90 PolarHBondContact O-ND2 3.45Å; E86-N90 VanDerWaalsContact O-ND2 3.13Å; E86-F116 HydrophobicContact CG-CE1 4.16Å; E86-C339 HydrophobicContact CG-CB 4.25Å
87	I	98.9	Very high	98.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.5	-48.7	176.2	-62.3	164.5	0	0	0	110.1	L77 L83 G84 K89 N90 L91 T168 L346 I350	L77-I87 HydrophobicContact CD1-CB 4.32Å; L77-I87 HydrophobicContact CD1-CD1 4.28Å; L77-I87 HydrophobicContact CD1-CG2 3.99Å; L77-I87 HydrophobicContact CD2-CB 4.2Å; L77-I87 HydrophobicContact CD2-CG2 4.14Å; L83-I87 HydrophobicContact CD1-CD1 4.04Å; L83-I87 HydrophobicContact CD1-CG1 4.26Å; L83-I87 HydrophobicContact CD2-CD1 4.41Å; L83-I87 HydrophobicContact CG-CD1 3.81Å; L83-I87 HydrophobicContact CG-CG1 4.46Å; L83-I87 WeakPolarHBondContact O-CG1 3.19Å; L83-I87 PolarHBondContact O-N 2.89Å; G84-I87 PolarHBondContact O-N 2.74Å; I87-K89 PolarHBondContact O-N 3.17Å; I87-N90 PolarHBondContact O-N 3.46Å; I87-L91 HydrophobicContact CG2-CD1 3.79Å; I87-L91 HydrophobicContact CG2-CG 4.24Å; I87-L91 WeakPolarHBondContact O-CG 3.2Å; I87-L91 PolarHBondContact O-N 3.02Å; I87-T168 HydrophobicContact CD1-CG2 3.87Å; I87-L346 HydrophobicContact CD1-CB 4.45Å; I87-L346 HydrophobicContact CD1-CD2 3.7Å; I87-L346 HydrophobicContact CD1-CG 4.18Å; I87-L346 HydrophobicContact CG1-CB 4.47Å; I87-I350 HydrophobicContact CG2-CD1 4.21Å
88	A	98.9	Very high	98.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-56.1	-50.8	178.9	0	0	0	0	0	111.2	L77 L80 G84 N90 L91 I92 L99 M101 L117	L77-A88 HydrophobicContact CD2-CB 3.75Å; L80-A88 HydrophobicContact CD1-CB 4.46Å; G84-A88 VanDerWaalsContact O-CB 3.3Å; G84-A88 WeakPolarHBondContact O-CB 3.45Å; G84-A88 PolarHBondContact O-N 2.82Å; A88-N90 PolarHBondContact O-N 3.26Å; A88-L91 PolarHBondContact O-N 2.78Å; A88-I92 HydrophobicContact CB-CD1 4.47Å; A88-I92 WeakPolarHBondContact O-CB 3.34Å; A88-I92 WeakPolarHBondContact O-CD1 3.34Å; A88-I92 WeakPolarHBondContact O-CG1 3.48Å; A88-I92 PolarHBondContact O-N 3.03Å; A88-L99 HydrophobicContact CB-CD2 3.74Å; A88-M101 HydrophobicContact CB-SD 4.32Å; A88-L117 HydrophobicContact CB-CD1 4.24Å
89	K	98.9	Very high	98.6	Very high	49 Å²	49	17.4 Å²	17.4	21%	0.213	9%	0.086	C	C	.	.	H	α-helix	trans	-57.1	-47.3	178.3	177.3	-139.8	68.6	-169.9	0	111.7	A85 E86 I87 L93 F116 L138	A85-K89 WeakPolarHBondContact O-CB 3.25Å; A85-K89 PolarHBondContact O-N 3.3Å; E86-K89 PolarHBondContact O-N 3.33Å; E86-K89 IonicContact OE2-NZ 2.77Å; E86-K89 PolarHBondContact OE2-NZ 3.45Å; I87-K89 PolarHBondContact O-N 3.17Å; K89-L93 HydrophobicContact CD-CD1 4.37Å; K89-L93 HydrophobicContact CG-CD1 3.93Å; K89-L93 WeakPolarHBondContact O-CB 3.09Å; K89-L93 VanDerWaalsContact O-CG 3.26Å; K89-L93 WeakPolarHBondContact O-CG 3.39Å; K89-L93 PolarHBondContact O-N 3.49Å; K89-F116 HydrophobicContact CB-CE2 4.13Å; K89-F116 HydrophobicContact CB-CZ 3.68Å; K89-F116 HydrophobicContact CD-CE2 4.25Å; K89-F116 HydrophobicContact CD-CZ 3.82Å; K89-F116 HydrophobicContact CG-CE2 4.18Å; K89-F116 HydrophobicContact CG-CZ 4Å; K89-L138 HydrophobicContact CB-CD1 3.8Å; K89-L138 HydrophobicContact CG-CD1 3.68Å
90	N	98.9	Very high	98.6	Very high	39 Å²	39	17.6 Å²	17.6	21%	0.209	9%	0.086	C	C	.	.	H	α-helix	trans	-64	-42.5	-179.5	-70.8	-31	0	0	0	112.2	E86 I87 A88 A94 G343 G344 A347	E86-N90 WeakPolarHBondContact O-CB 3.43Å; E86-N90 VanDerWaalsContact O-CG 3.29Å; E86-N90 PolarHBondContact O-N 2.92Å; E86-N90 PolarHBondContact O-ND2 3.45Å; E86-N90 VanDerWaalsContact O-ND2 3.13Å; I87-N90 PolarHBondContact O-N 3.46Å; A88-N90 PolarHBondContact O-N 3.26Å; N90-A94 VanDerWaalsContact O-CB 3.27Å; N90-A94 WeakPolarHBondContact O-CB 3.41Å; N90-A94 PolarHBondContact O-N 3.4Å; N90-G343 PolarHBondContact ND2-O 2.74Å; N90-G344 WeakPolarHBondContact ND2-CA 3.34Å; N90-A347 HydrophobicContact CB-CB 3.39Å
91	L	98.9	Very high	98.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-70.2	-39.3	179.3	-65.8	178	0	0	0	113	V75 I87 A88 A94 G95 V96 L99 A347 I350 V351	V75-L91 HydrophobicContact CB-CD1 4.38Å; V75-L91 HydrophobicContact CG1-CD1 3.9Å; V75-L91 HydrophobicContact CG2-CD1 4.49Å; I87-L91 HydrophobicContact CG2-CD1 3.79Å; I87-L91 HydrophobicContact CG2-CG 4.24Å; I87-L91 WeakPolarHBondContact O-CG 3.2Å; I87-L91 PolarHBondContact O-N 3.02Å; A88-L91 PolarHBondContact O-N 2.78Å; L91-A94 PolarHBondContact O-N 3.47Å; L91-G95 PolarHBondContact O-N 2.75Å; L91-V96 HydrophobicContact CB-CG1 4.49Å; L91-L99 HydrophobicContact CD1-CD1 4.17Å; L91-A347 HydrophobicContact CD2-CB 4.28Å; L91-A347 HydrophobicContact CG-CB 4.4Å; L91-I350 HydrophobicContact CD1-CD1 4.2Å; L91-I350 HydrophobicContact CD1-CG2 4.4Å; L91-I350 HydrophobicContact CD2-CB 4.05Å; L91-I350 HydrophobicContact CD2-CG2 3.69Å; L91-V351 HydrophobicContact CD2-CG2 4.18Å
92	I	98.9	Very high	98.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-64.5	-45.9	176.3	-66.8	164	0	0	0	110.2	A88 A94 G95 L99 A135 L138 N139 V142 V144	A88-I92 HydrophobicContact CB-CD1 4.47Å; A88-I92 WeakPolarHBondContact O-CB 3.34Å; A88-I92 WeakPolarHBondContact O-CD1 3.34Å; A88-I92 WeakPolarHBondContact O-CG1 3.48Å; A88-I92 PolarHBondContact O-N 3.03Å; I92-A94 VanDerWaalsContact C-N 3.31Å; I92-A94 PolarHBondContact O-N 3.44Å; I92-G95 PolarHBondContact O-N 3.21Å; I92-L99 HydrophobicContact CD1-CD2 3.88Å; I92-L99 HydrophobicContact CG1-CB 4.47Å; I92-L99 HydrophobicContact CG1-CD2 3.81Å; I92-A135 HydrophobicContact CD1-CB 3.81Å; I92-L138 HydrophobicContact CD1-CD1 4.46Å; I92-L138 HydrophobicContact CG2-CB 3.75Å; I92-N139 HydrophobicContact CG2-CB 3.52Å; I92-N139 WeakPolarHBondContact O-CB 3.45Å; I92-N139 PolarHBondContact O-ND2 2.82Å; I92-V142 HydrophobicContact CG1-CG1 4.43Å; I92-V142 HydrophobicContact CG2-CB 4.3Å; I92-V142 HydrophobicContact CG2-CG2 4.3Å; I92-V142 WeakPolarHBondContact O-CG2 3.29Å; I92-V144 HydrophobicContact CD1-CG2 3.88Å; I92-V144 HydrophobicContact CG1-CG2 4.01Å
93	L	98.6	Very high	98.7	Very high	78 Å²	78	15.7 Å²	15.7	41%	0.408	8%	0.078	S	C	.	.	H	α-helix	trans	-65.8	-33.9	176.6	-70.7	173.4	0	0	0	112.4	K89 G95 L138	K89-L93 HydrophobicContact CD-CD1 4.37Å; K89-L93 HydrophobicContact CG-CD1 3.93Å; K89-L93 WeakPolarHBondContact O-CB 3.09Å; K89-L93 VanDerWaalsContact O-CG 3.26Å; K89-L93 WeakPolarHBondContact O-CG 3.39Å; K89-L93 PolarHBondContact O-N 3.49Å; L93-G95 PolarHBondContact O-N 3.48Å; L93-L138 HydrophobicContact CD2-CB 4.23Å
94	A	98.1	Very high	98.7	Very high	10 Å²	10	20 Å²	20	8%	0.083	10%	0.098	C	C	.	.	H	α-helix	trans	-67.5	-21.2	176	0	0	0	0	0	113.1	Q58 Q67 L70 N90 L91 I92 V351	Q58-A94 PolarHBondContact NE2-O 2.86Å; Q67-A94 PolarHBondContact NE2-O 2.78Å; Q67-A94 VanDerWaalsContact NE2-O 3.09Å; L70-A94 HydrophobicContact CD2-CB 3.92Å; L70-A94 VanDerWaalsContact CD2-O 3.29Å; L70-A94 WeakPolarHBondContact CD2-O 3.31Å; N90-A94 VanDerWaalsContact O-CB 3.27Å; N90-A94 WeakPolarHBondContact O-CB 3.41Å; N90-A94 PolarHBondContact O-N 3.4Å; L91-A94 PolarHBondContact O-N 3.47Å; I92-A94 VanDerWaalsContact C-N 3.31Å; I92-A94 PolarHBondContact O-N 3.44Å; A94-V351 HydrophobicContact CB-CG2 4.01Å
95	G	97.9	Very high	98.7	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.01	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	47.9	174.1	0	0	0	0	0	113.9	Y55 R71 L91 I92 L93	Y55-G95 VanDerWaalsContact OH-CA 3.31Å; Y55-G95 WeakPolarHBondContact OH-CA 3.49Å; R71-G95 WeakPolarHBondContact CA-O 3.36Å; L91-G95 PolarHBondContact O-N 2.75Å; I92-G95 PolarHBondContact O-N 3.21Å; L93-G95 PolarHBondContact O-N 3.48Å
96	V	98.6	Very high	98.7	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.012	14%	0.143	C	C	.	.			trans	-63.1	160.7	166.1	-64.3	0	0	0	0	111.2	L70 V75 L91 G98 V142 L354	L70-V96 HydrophobicContact CD1-CG1 3.73Å; L70-V96 HydrophobicContact CG-CG1 4.12Å; L70-V96 WeakPolarHBondContact O-CA 3.32Å; V75-V96 HydrophobicContact CG2-CG1 4.2Å; L91-V96 HydrophobicContact CB-CG1 4.49Å; V96-G98 VanDerWaalsContact C-N 3.25Å; V96-G98 PolarHBondContact O-N 3.42Å; V96-V142 HydrophobicContact CG2-CG1 3.84Å; V96-V142 WeakPolarHBondContact O-CG2 3.42Å; V96-L354 HydrophobicContact CG1-CD1 4.47Å
97	K	98.6	Very high	98.6	Very high	101 Å²	101	28.7 Å²	28.7	44%	0.439	14%	0.138	S	C	.	.	S	Bend	trans	-56.5	-43.3	175.1	-170.5	171.6	176.4	174	0	112.3	L70 R71 A72 S73 D143	L70-K97 PolarHBondContact O-N 3.37Å; R71-K97 VanDerWaalsContact O-CA 3.27Å; R71-K97 WeakPolarHBondContact O-CA 3.47Å; R71-K97 WeakPolarHBondContact O-CB 3.39Å; A72-K97 WeakPolarHBondContact O-CD 3.45Å; S73-K97 WeakPolarHBondContact O-CA 3.39Å; S73-K97 WeakPolarHBondContact O-CB 3.32Å; S73-K97 PolarHBondContact O-N 2.97Å; K97-D143 PolarHBondContact O-N 2.78Å
98	G	98.8	Very high	98.2	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	153	-178.3	0	0	0	0	0	111.3	R74 V75 V96 D143	R74-G98 WeakPolarHBondContact CA-O 3.38Å; R74-G98 WeakPolarHBondContact CG-O 3.49Å; V75-G98 PolarHBondContact N-O 3.21Å; V96-G98 VanDerWaalsContact C-N 3.25Å; V96-G98 PolarHBondContact O-N 3.42Å; G98-D143 CarbonylContact C-O 3.57Å; G98-D143 WeakPolarHBondContact CA-O 3.37Å
99	L	98.9	Very high	97.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.4	177.8	179.4	68.3	0	0	0	108.2	V75 L77 A88 L91 I92 M101 D143 V144 K145	V75-L99 HydrophobicContact CB-CD1 3.9Å; V75-L99 HydrophobicContact CG1-CD1 4.06Å; V75-L99 WeakPolarHBondContact O-CA 3.21Å; L77-L99 HydrophobicContact CB-CD1 3.88Å; A88-L99 HydrophobicContact CB-CD2 3.74Å; L91-L99 HydrophobicContact CD1-CD1 4.17Å; I92-L99 HydrophobicContact CD1-CD2 3.88Å; I92-L99 HydrophobicContact CG1-CB 4.47Å; I92-L99 HydrophobicContact CG1-CD2 3.81Å; L99-M101 HydrophobicContact CD2-CG 4.1Å; L99-M101 HydrophobicContact CG-CG 4.26Å; L99-D143 PolarHBondContact N-O 3.22Å; L99-V144 CarbonylContact O-C 3.57Å; L99-V144 WeakPolarHBondContact O-CA 3.35Å; L99-K145 PolarHBondContact O-N 2.9Å
100	T	98.9	Very high	96.9	Very high	10 Å²	10	38.7 Å²	38.7	6%	0.061	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	115.7	168	-58.8	0	0	0	0	108.8	V75 L76 L77 K145 D147 F162	V75-T100 PolarHBondContact O-N 2.94Å; L76-T100 HydrophobicContact CD1-CG2 4.08Å; L77-T100 PolarHBondContact N-O 2.84Å; T100-K145 WeakPolarHBondContact CA-O 3.48Å; T100-K145 HydrophobicContact CG2-CB 4.38Å; T100-D147 HydrophobicContact CG2-CB 4.23Å; T100-F162 HydrophobicContact CG2-CZ 4.19Å; T100-F162 WeakPolarHBondContact OG1-CE1 3.48Å
101	M	98.9	Very high	96.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	112.6	173.7	-64.7	-172.3	-51.1	0	0	108.4	L80 A88 L99 A128 L132 A135 V144 K145 V146 D147	L80-M101 HydrophobicContact CD1-CG 4.27Å; L80-M101 HydrophobicContact CD1-SD 3.75Å; L80-M101 HydrophobicContact CD2-CB 3.72Å; L80-M101 HydrophobicContact CD2-CG 4.16Å; L80-M101 HydrophobicContact CG-CB 4.1Å; L80-M101 HydrophobicContact CG-CG 4.39Å; L80-M101 HydrophobicContact CG-SD 4.25Å; A88-M101 HydrophobicContact CB-SD 4.32Å; L99-M101 HydrophobicContact CD2-CG 4.1Å; L99-M101 HydrophobicContact CG-CG 4.26Å; M101-A128 HydrophobicContact CB-CB 4.26Å; M101-L132 HydrophobicContact CE-CB 4.43Å; M101-L132 HydrophobicContact CE-CD1 4.48Å; M101-A135 HydrophobicContact CE-CB 3.95Å; M101-A135 HydrophobicContact SD-CB 4Å; M101-V144 HydrophobicContact CE-CG1 3.8Å; M101-V144 HydrophobicContact CG-CG1 4.46Å; M101-V144 HydrophobicContact SD-CG1 4.26Å; M101-K145 PolarHBondContact N-O 2.86Å; M101-V146 HydrophobicContact CE-CG2 3.97Å; M101-V146 CarbonylContact O-C 3.55Å; M101-V146 WeakPolarHBondContact O-CA 3.4Å; M101-D147 PolarHBondContact O-N 3.17Å
102	L	98.9	Very high	95.1	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.1	178.7	-175	157.1	0	0	0	109.6	L76 L77 V78 G79 D147 E149 I151 K154 F158	L76-L102 HydrophobicContact CD1-CB 3.96Å; L76-L102 HydrophobicContact CD1-CD1 4.36Å; L77-L102 PolarHBondContact O-N 3.38Å; V78-L102 CarbonylContact C-O 3.59Å; V78-L102 VanDerWaalsContact CA-O 3.29Å; V78-L102 WeakPolarHBondContact CA-O 3.41Å; V78-L102 HydrophobicContact CG1-CD2 3.87Å; V78-L102 HydrophobicContact CG2-CB 4.26Å; V78-L102 HydrophobicContact CG2-CD2 4.21Å; G79-L102 PolarHBondContact N-O 2.89Å; L102-D147 VanDerWaalsContact CA-O 3.29Å; L102-D147 WeakPolarHBondContact CA-O 3.2Å; L102-D147 HydrophobicContact CB-CB 4.1Å; L102-D147 HydrophobicContact CD1-CB 4.02Å; L102-D147 HydrophobicContact CG-CB 3.97Å; L102-E149 WeakPolarHBondContact CD2-O 3.45Å; L102-I151 HydrophobicContact CD1-CD1 4.03Å; L102-I151 HydrophobicContact CD2-CB 3.94Å; L102-I151 HydrophobicContact CD2-CD1 4.36Å; L102-K154 HydrophobicContact CD1-CG 4.28Å; L102-F158 HydrophobicContact CD1-CE1 3.95Å; L102-F158 HydrophobicContact CD1-CZ 3.86Å
103	D	98.8	Very high	93.9	Very high	8 Å²	8	43.9 Å²	43.9	4%	0.043	25%	0.245	C	C	.	.			trans	-152.2	126.1	173.1	-162.2	-32.7	0	0	0	108.5	L80 E105 N126 R127 A128 D147 T148	L80-D103 HydrophobicContact CB-CB 4.19Å; L80-D103 PolarHBondContact N-OD2 2.94Å; D103-E105 WeakPolarHBondContact OD1-CB 3.36Å; D103-E105 PolarHBondContact OD1-N 3Å; D103-N126 PolarHBondContact O-ND2 3.02Å; D103-N126 PolarHBondContact O-OD1 3.42Å; D103-R127 HydrophobicContact CB-CB 4.22Å; D103-R127 WeakPolarHBondContact OD2-CD 3.38Å; D103-A128 HydrophobicContact CB-CB 3.84Å; D103-D147 PolarHBondContact N-O 2.56Å; D103-D147 VanDerWaalsContact N-O 3.08Å; D103-T148 WeakPolarHBondContact O-CA 3.1Å
104	H	98.6	Very high	93	Very high	92 Å²	92	41 Å²	41	43%	0.426	23%	0.233	S	C	.	.			trans	-93.3	-11.1	-179.7	75.1	-66.6	0	0	0	112.5	T148 D150	H104-T148 WeakPolarHBondContact CA-O 3.29Å; H104-T148 WeakPolarHBondContact CB-O 3.32Å; H104-D150 HydrophobicContact CB-CB 4.33Å
105	E	97.9	Very high	92.7	Very high	80 Å²	80	40.8 Å²	40.8	37%	0.374	23%	0.23	S	C	.	.	S	Bend	trans	-81.9	157.3	-178.3	-65.7	-169.4	-159.7	0	0	112.4	D103 N126 R127	D103-E105 WeakPolarHBondContact OD1-CB 3.36Å; D103-E105 PolarHBondContact OD1-N 3Å; E105-N126 PolarHBondContact O-ND2 3.27Å; E105-R127 WeakPolarHBondContact O-CG 3.05Å; E105-R127 PolarHBondContact O-N 2.96Å; E105-R127 IonicContact OE2-CZ 3.58Å; E105-R127 VanDerWaalsContact OE2-CZ 3.32Å; E105-R127 IonicContact OE2-NE 2.66Å; E105-R127 IonicContact OE2-NH2 2.71Å; E105-R127 PolarHBondContact OE2-NH2 3.04Å
106	Q	97.9	Very high	92.6	Very high	125 Å²	125	44.2 Å²	44.2	58%	0.584	25%	0.245	S	C	*	.	B	Isolated β-bridge	trans	-90.3	155.8	172.4	-65.7	179.8	7.6	0	0	110.9	T108 G124 R125 R127	Q106-T108 PolarHBondContact O-N 2.89Å; Q106-G124 PolarHBondContact OE1-O 2.93Å; Q106-R125 CarbonylContact C-O 3.57Å; Q106-R125 VanDerWaalsContact CA-O 3.24Å; Q106-R125 WeakPolarHBondContact CA-O 3.04Å; Q106-R127 PolarHBondContact O-NE 2.88Å
107	V	96.9	Very high	92.6	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.03	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-65.9	122.2	172.3	-179.8	0	0	0	0	108.9	D111 I118 S122 G124 R125 R127 A130	V107-D111 WeakPolarHBondContact CA-OD2 3.37Å; V107-D111 HydrophobicContact CG1-CB 4.26Å; V107-I118 HydrophobicContact CG1-CG2 4.16Å; V107-I118 HydrophobicContact CG2-CD1 3.85Å; V107-I118 HydrophobicContact CG2-CG2 4.27Å; V107-S122 WeakPolarHBondContact CB-O 3.28Å; V107-G124 PolarHBondContact O-N 2.9Å; V107-R125 WeakPolarHBondContact CG2-O 3.43Å; V107-R125 PolarHBondContact N-O 3.33Å; V107-R127 HydrophobicContact CG2-CB 4.47Å; V107-R127 HydrophobicContact CG2-CG 4.02Å; V107-A130 HydrophobicContact CG2-CB 3.87Å
108	T	92.4	Very high	92.5	Very high	43 Å²	43	39.9 Å²	39.9	26%	0.264	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-97	162.1	175.5	61.7	0	0	0	0	110.6	Q106 E110 D111	Q106-T108 PolarHBondContact O-N 2.89Å; T108-E110 WeakPolarHBondContact CB-OE2 3.45Å; T108-E110 PolarHBondContact O-N 3.45Å; T108-E110 PolarHBondContact OG1-OE2 2.93Å; T108-D111 PolarHBondContact N-OD2 2.68Å; T108-D111 PolarHBondContact O-N 3.03Å; T108-D111 VanDerWaalsContact OG1-CG 3.22Å; T108-D111 PolarHBondContact OG1-OD2 3.46Å
109	P	87.3	Confident	92.2	Very high	94 Å²	94	45 Å²	45	61%	0.61	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.6	176.6	-24.8	35.7	0	0	0	114.7	P112 V123	P109-P112 WeakPolarHBondContact O-CD 3.4Å; P109-V123 HydrophobicContact CG-CG1 4.42Å
110	E	82.4	Confident	91.7	Very high	122 Å²	122	51.4 Å²	51.4	57%	0.57	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-24.2	-176.3	-58.6	69.4	-140	0	0	112.8	T108 P112 G113	T108-E110 WeakPolarHBondContact CB-OE2 3.45Å; T108-E110 PolarHBondContact O-N 3.45Å; T108-E110 PolarHBondContact OG1-OE2 2.93Å; E110-P112 VanDerWaalsContact C-CD 3.44Å; E110-G113 PolarHBondContact O-N 2.83Å
111	D	84.1	Confident	91.3	Very high	12 Å²	12	54.6 Å²	54.6	6%	0.064	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-59.1	-38.5	-174.5	-70.9	-40.8	0	0	0	115.8	V107 T108 G113 A114 Q115 R127	V107-D111 WeakPolarHBondContact CA-OD2 3.37Å; V107-D111 HydrophobicContact CG1-CB 4.26Å; T108-D111 PolarHBondContact N-OD2 2.68Å; T108-D111 PolarHBondContact O-N 3.03Å; T108-D111 VanDerWaalsContact OG1-CG 3.22Å; T108-D111 PolarHBondContact OG1-OD2 3.46Å; D111-G113 PolarHBondContact O-N 2.96Å; D111-A114 PolarHBondContact O-N 2.95Å; D111-Q115 WeakPolarHBondContact O-CB 3.36Å; D111-Q115 PolarHBondContact O-N 3.21Å; D111-R127 IonicContact OD1-CZ 3.15Å; D111-R127 IonicContact OD1-NH1 2.63Å; D111-R127 PolarHBondContact OD1-NH1 2.84Å; D111-R127 IonicContact OD1-NH2 3.27Å; D111-R127 IonicContact OD2-CZ 2.72Å; D111-R127 IonicContact OD2-NE 3.32Å; D111-R127 IonicContact OD2-NH1 3.33Å; D111-R127 PolarHBondContact OD2-NH1 2.85Å; D111-R127 IonicContact OD2-NH2 3.27Å
112	P	76.3	Confident	91.1	Very high	68 Å²	68	55.1 Å²	55.1	44%	0.442	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-59.6	-15.7	-179.5	-25.2	35.7	0	0	0	114.8	P109 E110 A114	P109-P112 WeakPolarHBondContact O-CD 3.4Å; E110-P112 VanDerWaalsContact C-CD 3.44Å; P112-A114 VanDerWaalsContact C-N 3.33Å; P112-A114 PolarHBondContact O-N 2.84Å
113	G	72.7	Confident	90.9	Very high	68 Å²	68	59 Å²	59	70%	0.701	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-66.8	-28.6	-180	0	0	0	0	0	114.5	E110 D111	E110-G113 PolarHBondContact O-N 2.83Å; D111-G113 PolarHBondContact O-N 2.96Å
114	A	79.5	Confident	90.8	Very high	19 Å²	19	60.5 Å²	60.5	16%	0.157	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.4	-5.4	178.8	0	0	0	0	0	113.8	G82 D111 P112 A336	G82-A114 WeakPolarHBondContact CA-O 3.16Å; D111-A114 PolarHBondContact O-N 2.95Å; P112-A114 VanDerWaalsContact C-N 3.33Å; P112-A114 PolarHBondContact O-N 2.84Å; A114-A336 HydrophobicContact CB-CB 4.46Å
115	Q	92	Very high	90.7	Very high	4 Å²	4	62.2 Å²	62.2	2%	0.019	37%	0.366	C	S	.	.			trans	-107	99.7	-174.5	-138.5	-69.9	8.1	0	0	111.6	L80 A85 D111 I118 S131	L80-Q115 VanDerWaalsContact O-CG 3.29Å; L80-Q115 WeakPolarHBondContact O-CG 3.42Å; L80-Q115 PolarHBondContact O-NE2 3.42Å; A85-Q115 HydrophobicContact CB-CG 4.16Å; D111-Q115 WeakPolarHBondContact O-CB 3.36Å; D111-Q115 PolarHBondContact O-N 3.21Å; Q115-I118 HydrophobicContact CB-CD1 4.22Å; Q115-I118 VanDerWaalsContact CD-CD1 3.47Å; Q115-I118 HydrophobicContact CG-CD1 3.77Å; Q115-I118 HydrophobicContact CG-CG1 4.35Å; Q115-S131 PolarHBondContact NE2-OG 2.96Å
116	F	96.8	Very high	90.7	Very high	74 Å²	74	59.3 Å²	59.3	33%	0.325	35%	0.353	S	S	.	.	S	Bend	trans	-87	-12.5	-176.2	64.8	-93.9	0	0	0	114.8	A85 E86 K89 R134	A85-F116 HydrophobicContact CB-CD1 4.37Å; A85-F116 HydrophobicContact CB-CE1 3.94Å; A85-F116 HydrophobicContact CB-CZ 4.28Å; E86-F116 HydrophobicContact CG-CE1 4.16Å; K89-F116 HydrophobicContact CB-CE2 4.13Å; K89-F116 HydrophobicContact CB-CZ 3.68Å; K89-F116 HydrophobicContact CD-CE2 4.25Å; K89-F116 HydrophobicContact CD-CZ 3.82Å; K89-F116 HydrophobicContact CG-CE2 4.18Å; K89-F116 HydrophobicContact CG-CZ 4Å; F116-R134 WeakPolarHBondContact O-CD 3.42Å; F116-R134 PolarHBondContact O-NH1 3.14Å
117	L	97.9	Very high	90.8	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	33%	0.327	C	S	.	.	S	Bend	trans	-79.5	-23.2	176.9	-62.9	175.3	0	0	0	112.1	A85 A88 R134 A135 L138	A85-L117 HydrophobicContact CB-CD1 3.87Å; A85-L117 HydrophobicContact CB-CG 4.12Å; A88-L117 HydrophobicContact CB-CD1 4.24Å; L117-R134 HydrophobicContact CB-CB 4.46Å; L117-R134 HydrophobicContact CD2-CB 4.07Å; L117-R134 WeakPolarHBondContact O-CB 3.44Å; L117-R134 VanDerWaalsContact O-CD 3.28Å; L117-R134 WeakPolarHBondContact O-CD 3.31Å; L117-R134 WeakPolarHBondContact O-CG 3.17Å; L117-A135 HydrophobicContact CD1-CB 4.27Å; L117-A135 HydrophobicContact CD2-CB 4.33Å; L117-L138 HydrophobicContact CD2-CD1 4.23Å
118	I	96.3	Very high	90.9	Very high	9 Å²	9	53.5 Å²	53.5	5%	0.046	33%	0.325	C	S	.	.	S	Bend	trans	-85.4	136.4	177	-65.9	166.3	0	0	0	109.7	V107 Q115 A130 S131 R134	V107-I118 HydrophobicContact CG1-CG2 4.16Å; V107-I118 HydrophobicContact CG2-CD1 3.85Å; V107-I118 HydrophobicContact CG2-CG2 4.27Å; Q115-I118 HydrophobicContact CB-CD1 4.22Å; Q115-I118 VanDerWaalsContact CD-CD1 3.47Å; Q115-I118 HydrophobicContact CG-CD1 3.77Å; Q115-I118 HydrophobicContact CG-CG1 4.35Å; I118-A130 HydrophobicContact CG1-CB 4Å; I118-A130 HydrophobicContact CG2-CB 4.19Å; I118-S131 WeakPolarHBondContact CG1-OG 3.34Å; I118-R134 PolarHBondContact O-NH1 3.25Å
119	R	91.8	Very high	91.2	Very high	109 Å²	109	55.8 Å²	55.8	41%	0.411	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-80.1	145.6	172.5	-72.8	-178.6	176.4	156.1	2.9	110.9	G121 S122 E133	R119-G121 PolarHBondContact O-N 3.32Å; R119-S122 VanDerWaalsContact O-CB 3.31Å; R119-S122 WeakPolarHBondContact O-CB 3.42Å; R119-S122 PolarHBondContact O-N 2.82Å; R119-S122 PolarHBondContact O-OG 2.89Å; R119-E133 VanDerWaalsContact CZ-CD 3.48Å; R119-E133 IonicContact CZ-OE1 3.53Å; R119-E133 IonicContact CZ-OE2 3.19Å; R119-E133 IonicContact NH1-OE1 3.57Å; R119-E133 PolarHBondContact NH1-OE1 3.06Å; R119-E133 IonicContact NH1-OE2 3.88Å; R119-E133 PolarHBondContact NH1-OE2 3.4Å; R119-E133 IonicContact NH2-OE1 2.71Å; R119-E133 PolarHBondContact NH2-OE1 3.35Å; R119-E133 IonicContact NH2-OE2 2.63Å; R119-E133 PolarHBondContact NH2-OE2 3.23Å
120	T	89.9	Confident	91.7	Very high	134 Å²	134	51.7 Å²	51.7	82%	0.822	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	137.3	167.1	-38.5	0	0	0	0	110.1
121	G	90.3	Very high	92.4	Very high	77 Å²	77	45.9 Å²	45.9	79%	0.794	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	12.2	-176.5	0	0	0	0	0	115.3	R119	R119-G121 PolarHBondContact O-N 3.32Å
122	S	94.5	Very high	93.1	Very high	11 Å²	11	48.2 Å²	48.2	8%	0.077	29%	0.292	C	S	.	.			trans	-92.6	7.2	176.1	-51.6	0	0	0	0	114.1	V107 R119 G124 R125	V107-S122 WeakPolarHBondContact CB-O 3.28Å; R119-S122 VanDerWaalsContact O-CB 3.31Å; R119-S122 WeakPolarHBondContact O-CB 3.42Å; R119-S122 PolarHBondContact O-N 2.82Å; R119-S122 PolarHBondContact O-OG 2.89Å; S122-G124 PolarHBondContact O-N 3Å; S122-R125 WeakPolarHBondContact O-CB 3.29Å; S122-R125 PolarHBondContact O-N 3.01Å
123	V	95.4	Very high	94.2	Very high	82 Å²	82	49.7 Å²	49.7	50%	0.497	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	133.1	179.6	177.8	0	0	0	0	110.2	P109 R125	P109-V123 HydrophobicContact CG-CG1 4.42Å; V123-R125 VanDerWaalsContact C-N 3.34Å
124	G	95.9	Very high	95.4	Very high	40 Å²	40	51.4 Å²	51.4	41%	0.412	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	-9.3	-177	0	0	0	0	0	115.6	Q106 V107 S122	Q106-G124 PolarHBondContact OE1-O 2.93Å; V107-G124 PolarHBondContact O-N 2.9Å; S122-G124 PolarHBondContact O-N 3Å
125	R	97.1	Very high	96.3	Very high	129 Å²	129	50.5 Å²	50.5	49%	0.487	27%	0.271	S	S	.	.	S	Bend	trans	-79.4	161.9	167.7	-65.1	-174.4	61	-166.8	-6.5	110.6	Q106 V107 S122 V123 A130	Q106-R125 CarbonylContact C-O 3.57Å; Q106-R125 VanDerWaalsContact CA-O 3.24Å; Q106-R125 WeakPolarHBondContact CA-O 3.04Å; V107-R125 WeakPolarHBondContact CG2-O 3.43Å; V107-R125 PolarHBondContact N-O 3.33Å; S122-R125 WeakPolarHBondContact O-CB 3.29Å; S122-R125 PolarHBondContact O-N 3.01Å; V123-R125 VanDerWaalsContact C-N 3.34Å; R125-A130 HydrophobicContact CB-CB 4.39Å
126	N	98.6	Very high	96.7	Very high	18 Å²	18	52.9 Å²	52.9	10%	0.096	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-63.7	139.1	170	175.2	-87.3	0	0	0	111.4	D103 E105 A128 E129 A130 T148	D103-N126 PolarHBondContact O-ND2 3.02Å; D103-N126 PolarHBondContact O-OD1 3.42Å; E105-N126 PolarHBondContact O-ND2 3.27Å; N126-A128 WeakPolarHBondContact OD1-CB 3.34Å; N126-A128 PolarHBondContact OD1-N 2.94Å; N126-E129 HydrophobicContact CB-CB 4.1Å; N126-E129 HydrophobicContact CB-CG 3.97Å; N126-E129 PolarHBondContact O-N 3.49Å; N126-E129 PolarHBondContact OD1-N 3.3Å; N126-A130 VanDerWaalsContact O-CB 3.23Å; N126-A130 WeakPolarHBondContact O-CB 3.29Å; N126-A130 PolarHBondContact O-N 3.19Å; N126-T148 HydrophobicContact CB-CG2 4.22Å
127	R	98.5	Very high	96.7	Very high	8 Å²	8	54.8 Å²	54.8	3%	0.03	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-43.4	-176	-67.7	176.1	-168.1	-133.2	11.2	113.2	L80 K81 D103 E105 Q106 V107 D111 S131	L80-R127 HydrophobicContact CB-CB 4.4Å; K81-R127 VanDerWaalsContact CE-NH1 3.28Å; K81-R127 VanDerWaalsContact CG-NH1 3.34Å; D103-R127 HydrophobicContact CB-CB 4.22Å; D103-R127 WeakPolarHBondContact OD2-CD 3.38Å; E105-R127 WeakPolarHBondContact O-CG 3.05Å; E105-R127 PolarHBondContact O-N 2.96Å; E105-R127 IonicContact OE2-CZ 3.58Å; E105-R127 VanDerWaalsContact OE2-CZ 3.32Å; E105-R127 IonicContact OE2-NE 2.66Å; E105-R127 IonicContact OE2-NH2 2.71Å; E105-R127 PolarHBondContact OE2-NH2 3.04Å; Q106-R127 PolarHBondContact O-NE 2.88Å; V107-R127 HydrophobicContact CG2-CB 4.47Å; V107-R127 HydrophobicContact CG2-CG 4.02Å; D111-R127 IonicContact OD1-CZ 3.15Å; D111-R127 IonicContact OD1-NH1 2.63Å; D111-R127 PolarHBondContact OD1-NH1 2.84Å; D111-R127 IonicContact OD1-NH2 3.27Å; D111-R127 IonicContact OD2-CZ 2.72Å; D111-R127 IonicContact OD2-NE 3.32Å; D111-R127 IonicContact OD2-NH1 3.33Å; D111-R127 PolarHBondContact OD2-NH1 2.85Å; D111-R127 IonicContact OD2-NH2 3.27Å; R127-S131 WeakPolarHBondContact O-CB 3.48Å; R127-S131 PolarHBondContact O-N 2.86Å; R127-S131 VanDerWaalsContact O-N 3.17Å; R127-S131 PolarHBondContact O-OG 3.21Å
128	A	98.6	Very high	96.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-68.6	-43.5	179.4	0	0	0	0	0	111.3	M101 D103 N126 A130 S131 L132 V146	M101-A128 HydrophobicContact CB-CB 4.26Å; D103-A128 HydrophobicContact CB-CB 3.84Å; N126-A128 WeakPolarHBondContact OD1-CB 3.34Å; N126-A128 PolarHBondContact OD1-N 2.94Å; A128-A130 PolarHBondContact O-N 3.33Å; A128-S131 PolarHBondContact O-N 3.26Å; A128-L132 PolarHBondContact O-N 2.88Å; A128-V146 HydrophobicContact CB-CB 4.5Å; A128-V146 HydrophobicContact CB-CG1 3.63Å; A128-V146 HydrophobicContact CB-CG2 4.27Å; A128-V146 WeakPolarHBondContact O-CG2 3.45Å
129	E	98.6	Very high	96.9	Very high	91 Å²	91	57 Å²	57	43%	0.425	31%	0.307	S	S	.	.	H	α-helix	trans	-62.5	-42.2	175.2	-67.7	-177.6	160	0	0	112.6	N126 S131 L132 V146 T148	N126-E129 HydrophobicContact CB-CB 4.1Å; N126-E129 HydrophobicContact CB-CG 3.97Å; N126-E129 PolarHBondContact O-N 3.49Å; N126-E129 PolarHBondContact OD1-N 3.3Å; E129-S131 PolarHBondContact O-N 3.41Å; E129-L132 PolarHBondContact O-N 3.48Å; E129-V146 HydrophobicContact CG-CG1 3.76Å; E129-T148 HydrophobicContact CG-CG2 3.78Å
130	A	98.1	Very high	97.1	Very high	9 Å²	9	57.1 Å²	57.1	7%	0.074	32%	0.322	C	S	.	.	H	α-helix	trans	-66.2	-22.6	178.6	0	0	0	0	0	112.6	V107 I118 R125 N126 A128	V107-A130 HydrophobicContact CG2-CB 3.87Å; I118-A130 HydrophobicContact CG1-CB 4Å; I118-A130 HydrophobicContact CG2-CB 4.19Å; R125-A130 HydrophobicContact CB-CB 4.39Å; N126-A130 VanDerWaalsContact O-CB 3.23Å; N126-A130 WeakPolarHBondContact O-CB 3.29Å; N126-A130 PolarHBondContact O-N 3.19Å; A128-A130 PolarHBondContact O-N 3.33Å
131	S	98.6	Very high	97.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-87.5	-23.4	178.7	-59.4	0	0	0	0	113.8	Q115 I118 R127 A128 E129 E133 R134 A135	Q115-S131 PolarHBondContact NE2-OG 2.96Å; I118-S131 WeakPolarHBondContact CG1-OG 3.34Å; R127-S131 WeakPolarHBondContact O-CB 3.48Å; R127-S131 PolarHBondContact O-N 2.86Å; R127-S131 VanDerWaalsContact O-N 3.17Å; R127-S131 PolarHBondContact O-OG 3.21Å; A128-S131 PolarHBondContact O-N 3.26Å; E129-S131 PolarHBondContact O-N 3.41Å; S131-E133 PolarHBondContact O-N 2.93Å; S131-R134 PolarHBondContact O-N 3.18Å; S131-A135 VanDerWaalsContact O-CB 3.3Å; S131-A135 WeakPolarHBondContact O-CB 3.49Å; S131-A135 PolarHBondContact O-N 3.17Å
132	L	98.7	Very high	97.8	Very high	60 Å²	60	49.5 Å²	49.5	31%	0.314	26%	0.258	S	S	.	.	H	α-helix	trans	-53.9	-50.6	-168.5	177.7	56.3	0	0	0	113.9	M101 A128 E129 R134 A135 Q136 V144 V146	M101-L132 HydrophobicContact CE-CB 4.43Å; M101-L132 HydrophobicContact CE-CD1 4.48Å; A128-L132 PolarHBondContact O-N 2.88Å; E129-L132 PolarHBondContact O-N 3.48Å; L132-R134 PolarHBondContact O-N 3.48Å; L132-A135 PolarHBondContact O-N 3.27Å; L132-Q136 WeakPolarHBondContact O-CB 3.43Å; L132-Q136 PolarHBondContact O-N 2.85Å; L132-V144 HydrophobicContact CD1-CB 4.2Å; L132-V144 HydrophobicContact CD1-CG1 3.89Å; L132-V144 WeakPolarHBondContact CD1-O 3.49Å; L132-V146 HydrophobicContact CB-CG2 3.87Å; L132-V146 HydrophobicContact CD1-CG2 4.09Å; L132-V146 HydrophobicContact CD2-CG2 4.1Å; L132-V146 HydrophobicContact CG-CG2 4.23Å
133	E	98.4	Very high	98	Very high	100 Å²	100	52.2 Å²	52.2	47%	0.467	27%	0.271	S	S	.	.	H	α-helix	trans	-62.1	-46.3	-173.2	-172.3	-174.9	164.2	0	0	111.7	R119 S131 N137	R119-E133 VanDerWaalsContact CZ-CD 3.48Å; R119-E133 IonicContact CZ-OE1 3.53Å; R119-E133 IonicContact CZ-OE2 3.19Å; R119-E133 IonicContact NH1-OE1 3.57Å; R119-E133 PolarHBondContact NH1-OE1 3.06Å; R119-E133 IonicContact NH1-OE2 3.88Å; R119-E133 PolarHBondContact NH1-OE2 3.4Å; R119-E133 IonicContact NH2-OE1 2.71Å; R119-E133 PolarHBondContact NH2-OE1 3.35Å; R119-E133 IonicContact NH2-OE2 2.63Å; R119-E133 PolarHBondContact NH2-OE2 3.23Å; S131-E133 PolarHBondContact O-N 2.93Å; E133-N137 WeakPolarHBondContact O-CB 3.43Å; E133-N137 PolarHBondContact O-N 3.33Å; E133-N137 PolarHBondContact O-ND2 3.24Å
134	R	98.5	Very high	98.2	Very high	104 Å²	104	48.8 Å²	48.8	39%	0.392	25%	0.25	S	S	.	.	H	α-helix	trans	-70.4	-38	178	-71.8	-166.7	170.5	169.2	0.3	111.7	F116 L117 I118 S131 L132 N137 L138	F116-R134 WeakPolarHBondContact O-CD 3.42Å; F116-R134 PolarHBondContact O-NH1 3.14Å; L117-R134 HydrophobicContact CB-CB 4.46Å; L117-R134 HydrophobicContact CD2-CB 4.07Å; L117-R134 WeakPolarHBondContact O-CB 3.44Å; L117-R134 VanDerWaalsContact O-CD 3.28Å; L117-R134 WeakPolarHBondContact O-CD 3.31Å; L117-R134 WeakPolarHBondContact O-CG 3.17Å; I118-R134 PolarHBondContact O-NH1 3.25Å; S131-R134 PolarHBondContact O-N 3.18Å; L132-R134 PolarHBondContact O-N 3.48Å; R134-N137 PolarHBondContact O-N 3.47Å; R134-L138 PolarHBondContact O-N 3.23Å
135	A	98.8	Very high	98.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.2	-51.2	178.1	0	0	0	0	0	111.5	I92 M101 L117 S131 L132 N137 L138 V144	I92-A135 HydrophobicContact CD1-CB 3.81Å; M101-A135 HydrophobicContact CE-CB 3.95Å; M101-A135 HydrophobicContact SD-CB 4Å; L117-A135 HydrophobicContact CD1-CB 4.27Å; L117-A135 HydrophobicContact CD2-CB 4.33Å; S131-A135 VanDerWaalsContact O-CB 3.3Å; S131-A135 WeakPolarHBondContact O-CB 3.49Å; S131-A135 PolarHBondContact O-N 3.17Å; L132-A135 PolarHBondContact O-N 3.27Å; A135-N137 VanDerWaalsContact C-N 3.27Å; A135-N137 PolarHBondContact O-N 2.9Å; A135-L138 WeakPolarHBondContact O-CB 3.3Å; A135-L138 PolarHBondContact O-N 2.94Å; A135-L138 VanDerWaalsContact O-N 3.09Å; A135-V144 HydrophobicContact CB-CG1 4.23Å
136	Q	98.8	Very high	98.4	Very high	54 Å²	54	47.3 Å²	47.3	25%	0.252	24%	0.24	S	C	.	.	H	α-helix	trans	-61.1	-35.6	180	-176.3	59.6	77.4	0	0	112.5	L132 L138 N139 V142 V144	L132-Q136 WeakPolarHBondContact O-CB 3.43Å; L132-Q136 PolarHBondContact O-N 2.85Å; Q136-L138 PolarHBondContact O-N 2.93Å; Q136-N139 PolarHBondContact NE2-O 3.37Å; Q136-N139 CarbonylContact O-C 3.58Å; Q136-N139 PolarHBondContact O-N 2.97Å; Q136-V142 PolarHBondContact NE2-O 2.86Å; Q136-V142 PolarHBondContact OE1-O 3.26Å; Q136-V144 HydrophobicContact CB-CB 4.38Å; Q136-V144 VanDerWaalsContact OE1-N 3.09Å
137	N	98.6	Very high	98.4	Very high	113 Å²	113	47.9 Å²	47.9	60%	0.604	24%	0.243	S	C	*	.	H	α-helix	trans	-69.2	-15.6	178.4	-74.4	-23.8	0	0	0	114	E133 R134 A135 N139	E133-N137 WeakPolarHBondContact O-CB 3.43Å; E133-N137 PolarHBondContact O-N 3.33Å; E133-N137 PolarHBondContact O-ND2 3.24Å; R134-N137 PolarHBondContact O-N 3.47Å; A135-N137 VanDerWaalsContact C-N 3.27Å; A135-N137 PolarHBondContact O-N 2.9Å; N137-N139 VanDerWaalsContact C-N 3.28Å; N137-N139 PolarHBondContact O-N 3.48Å
138	L	98.6	Very high	98.4	Very high	57 Å²	57	50.3 Å²	50.3	30%	0.298	26%	0.259	S	S	.	.	H	α-helix	trans	-66.5	-33.3	175.5	-66.5	172.9	0	0	0	111.8	K89 I92 L93 L117 R134 A135 Q136	K89-L138 HydrophobicContact CB-CD1 3.8Å; K89-L138 HydrophobicContact CG-CD1 3.68Å; I92-L138 HydrophobicContact CD1-CD1 4.46Å; I92-L138 HydrophobicContact CG2-CB 3.75Å; L93-L138 HydrophobicContact CD2-CB 4.23Å; L117-L138 HydrophobicContact CD2-CD1 4.23Å; R134-L138 PolarHBondContact O-N 3.23Å; A135-L138 WeakPolarHBondContact O-CB 3.3Å; A135-L138 PolarHBondContact O-N 2.94Å; A135-L138 VanDerWaalsContact O-N 3.09Å; Q136-L138 PolarHBondContact O-N 2.93Å
139	N	98.3	Very high	98.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.284	C	S	.	.			trans	-157.7	105.3	178.7	-167.2	-10.8	0	0	0	111.5	Q54 Y55 I92 Q136 N137 M141 V142	Q54-N139 PolarHBondContact NE2-ND2 2.72Å; Q54-N139 PolarHBondContact NE2-OD1 3.41Å; Y55-N139 PolarHBondContact OH-ND2 3.25Å; I92-N139 HydrophobicContact CG2-CB 3.52Å; I92-N139 WeakPolarHBondContact O-CB 3.45Å; I92-N139 PolarHBondContact O-ND2 2.82Å; Q136-N139 PolarHBondContact NE2-O 3.37Å; Q136-N139 CarbonylContact O-C 3.58Å; Q136-N139 PolarHBondContact O-N 2.97Å; N137-N139 VanDerWaalsContact C-N 3.28Å; N137-N139 PolarHBondContact O-N 3.48Å; N139-M141 PolarHBondContact O-N 3.25Å; N139-M141 VanDerWaalsContact O-N 3.09Å; N139-M141 WeakPolarHBondContact OD1-CB 3.24Å; N139-M141 PolarHBondContact OD1-N 2.86Å; N139-V142 HydrophobicContact CB-CG2 4.03Å; N139-V142 PolarHBondContact O-N 3.33Å
140	P	97.4	Very high	98.4	Very high	112 Å²	112	52.9 Å²	52.9	73%	0.727	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-16.3	178.6	-24.6	35.2	0	0	0	115	V142	P140-V142 VanDerWaalsContact C-N 3.32Å
141	M	96.2	Very high	98.5	Very high	50 Å²	50	53 Å²	53	25%	0.246	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-11.7	-179.7	-59.8	173.7	175	0	0	113.4	E50 E51 Y55 N139	E50-M141 HydrophobicContact CB-CE 3.84Å; E50-M141 HydrophobicContact CG-CE 3.5Å; E50-M141 VanDerWaalsContact CG-CE 3.5Å; E51-M141 HydrophobicContact CB-CE 4.44Å; E51-M141 HydrophobicContact CB-SD 4.25Å; E51-M141 HydrophobicContact CG-CE 3.74Å; E51-M141 HydrophobicContact CG-SD 3.28Å; E51-M141 WeakPolarHBondContact CG-SD 3.38Å; Y55-M141 HydrophobicContact CE2-SD 4.15Å; N139-M141 PolarHBondContact O-N 3.25Å; N139-M141 VanDerWaalsContact O-N 3.09Å; N139-M141 WeakPolarHBondContact OD1-CB 3.24Å; N139-M141 PolarHBondContact OD1-N 2.86Å
142	V	98.4	Very high	98.4	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.012	29%	0.293	C	S	.	.	S	Bend	trans	-100	127.7	-179.8	-177.9	0	0	0	0	109.6	I92 V96 Q136 N139 P140 V144	I92-V142 HydrophobicContact CG1-CG1 4.43Å; I92-V142 HydrophobicContact CG2-CB 4.3Å; I92-V142 HydrophobicContact CG2-CG2 4.3Å; I92-V142 WeakPolarHBondContact O-CG2 3.29Å; V96-V142 HydrophobicContact CG2-CG1 3.84Å; V96-V142 WeakPolarHBondContact O-CG2 3.42Å; Q136-V142 PolarHBondContact NE2-O 2.86Å; Q136-V142 PolarHBondContact OE1-O 3.26Å; N139-V142 HydrophobicContact CB-CG2 4.03Å; N139-V142 PolarHBondContact O-N 3.33Å; P140-V142 VanDerWaalsContact C-N 3.32Å; V142-V144 HydrophobicContact CB-CG2 4.48Å; V142-V144 HydrophobicContact CG1-CG2 4.1Å; V142-V144 PolarHBondContact O-N 2.59Å; V142-V144 VanDerWaalsContact O-N 3.14Å
143	D	98.6	Very high	98.4	Very high	68 Å²	68	62.4 Å²	62.4	36%	0.364	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	94.7	172.9	177	26.2	0	0	0	110	K97 G98 L99 K145	K97-D143 PolarHBondContact O-N 2.78Å; G98-D143 CarbonylContact C-O 3.57Å; G98-D143 WeakPolarHBondContact CA-O 3.37Å; L99-D143 PolarHBondContact N-O 3.22Å; D143-K145 VanDerWaalsContact OD1-CE 3.27Å; D143-K145 WeakPolarHBondContact OD1-CE 3.17Å; D143-K145 WeakPolarHBondContact OD2-CE 3.48Å; D143-K145 IonicContact OD2-NZ 2.69Å; D143-K145 PolarHBondContact OD2-NZ 2.61Å
144	V	98.9	Very high	98.4	Very high	9 Å²	9	58.3 Å²	58.3	6%	0.055	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	119	178.3	-172.3	0	0	0	0	109.8	I92 L99 M101 L132 A135 Q136 V142	I92-V144 HydrophobicContact CD1-CG2 3.88Å; I92-V144 HydrophobicContact CG1-CG2 4.01Å; L99-V144 CarbonylContact O-C 3.57Å; L99-V144 WeakPolarHBondContact O-CA 3.35Å; M101-V144 HydrophobicContact CE-CG1 3.8Å; M101-V144 HydrophobicContact CG-CG1 4.46Å; M101-V144 HydrophobicContact SD-CG1 4.26Å; L132-V144 HydrophobicContact CD1-CB 4.2Å; L132-V144 HydrophobicContact CD1-CG1 3.89Å; L132-V144 WeakPolarHBondContact CD1-O 3.49Å; A135-V144 HydrophobicContact CB-CG1 4.23Å; Q136-V144 HydrophobicContact CB-CB 4.38Å; Q136-V144 VanDerWaalsContact OE1-N 3.09Å; V142-V144 HydrophobicContact CB-CG2 4.48Å; V142-V144 HydrophobicContact CG1-CG2 4.1Å; V142-V144 PolarHBondContact O-N 2.59Å; V142-V144 VanDerWaalsContact O-N 3.14Å
145	K	98.9	Very high	98.4	Very high	97 Å²	97	56.9 Å²	56.9	42%	0.422	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	159.6	178.8	-65.8	-173.6	178.5	164.4	0	111.5	L99 T100 M101 D143	L99-K145 PolarHBondContact O-N 2.9Å; T100-K145 WeakPolarHBondContact CA-O 3.48Å; T100-K145 HydrophobicContact CG2-CB 4.38Å; M101-K145 PolarHBondContact N-O 2.86Å; D143-K145 VanDerWaalsContact OD1-CE 3.27Å; D143-K145 WeakPolarHBondContact OD1-CE 3.17Å; D143-K145 WeakPolarHBondContact OD2-CE 3.48Å; D143-K145 IonicContact OD2-NZ 2.69Å; D143-K145 PolarHBondContact OD2-NZ 2.61Å
146	V	98.9	Very high	98.4	Very high	42 Å²	42	60.1 Å²	60.1	26%	0.255	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.9	175.4	169.6	0	0	0	0	109.9	M101 A128 E129 L132 T148	M101-V146 HydrophobicContact CE-CG2 3.97Å; M101-V146 CarbonylContact O-C 3.55Å; M101-V146 WeakPolarHBondContact O-CA 3.4Å; A128-V146 HydrophobicContact CB-CB 4.5Å; A128-V146 HydrophobicContact CB-CG1 3.63Å; A128-V146 HydrophobicContact CB-CG2 4.27Å; A128-V146 WeakPolarHBondContact O-CG2 3.45Å; E129-V146 HydrophobicContact CG-CG1 3.76Å; L132-V146 HydrophobicContact CB-CG2 3.87Å; L132-V146 HydrophobicContact CD1-CG2 4.09Å; L132-V146 HydrophobicContact CD2-CG2 4.1Å; L132-V146 HydrophobicContact CG-CG2 4.23Å; V146-T148 HydrophobicContact CG1-CG2 3.91Å
147	D	98.8	Very high	98.4	Very high	30 Å²	30	61.6 Å²	61.6	16%	0.16	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134.2	167.4	-163.9	-45.8	0	0	0	108.6	T100 M101 L102 D103 E149 K154 F158	T100-D147 HydrophobicContact CG2-CB 4.23Å; M101-D147 PolarHBondContact O-N 3.17Å; L102-D147 VanDerWaalsContact CA-O 3.29Å; L102-D147 WeakPolarHBondContact CA-O 3.2Å; L102-D147 HydrophobicContact CB-CB 4.1Å; L102-D147 HydrophobicContact CD1-CB 4.02Å; L102-D147 HydrophobicContact CG-CB 3.97Å; D103-D147 PolarHBondContact N-O 2.56Å; D103-D147 VanDerWaalsContact N-O 3.08Å; D147-E149 PolarHBondContact OD1-N 2.63Å; D147-K154 WeakPolarHBondContact OD1-CE 3.21Å; D147-K154 IonicContact OD1-NZ 2.77Å; D147-K154 PolarHBondContact OD1-NZ 2.94Å; D147-K154 WeakPolarHBondContact OD2-CE 3.49Å; D147-K154 IonicContact OD2-NZ 3.83Å; D147-K154 PolarHBondContact OD2-NZ 2.91Å; D147-F158 WeakPolarHBondContact OD2-CE2 3.09Å
148	T	98.8	Very high	98.4	Very high	59 Å²	59	57.5 Å²	57.5	36%	0.362	30%	0.304	S	S	.	.			trans	-112.2	-0.1	-173.6	61	0	0	0	0	113	D103 H104 N126 E129 V146	D103-T148 WeakPolarHBondContact O-CA 3.1Å; H104-T148 WeakPolarHBondContact CA-O 3.29Å; H104-T148 WeakPolarHBondContact CB-O 3.32Å; N126-T148 HydrophobicContact CB-CG2 4.22Å; E129-T148 HydrophobicContact CG-CG2 3.78Å; V146-T148 HydrophobicContact CG1-CG2 3.91Å
149	E	98.6	Very high	98.4	Very high	114 Å²	114	54.9 Å²	54.9	53%	0.533	29%	0.29	S	S	.	.	S	Bend	trans	-80.6	156	177.4	-59.5	-178.8	160.1	0	0	111.2	L102 D147 I151 K154	L102-E149 WeakPolarHBondContact CD2-O 3.45Å; D147-E149 PolarHBondContact OD1-N 2.63Å; E149-I151 PolarHBondContact O-N 2.89Å; E149-K154 IonicContact OE2-NZ 3.05Å; E149-K154 PolarHBondContact OE2-NZ 2.97Å
150	D	98.5	Very high	98.4	Very high	30 Å²	30	58.6 Å²	58.6	16%	0.16	31%	0.313	C	S	.	.			trans	-64.6	127.7	174.7	180	-9.1	0	0	0	111.5	H104 E152 K153	H104-D150 HydrophobicContact CB-CB 4.33Å; D150-E152 PolarHBondContact O-N 3.21Å; D150-E152 WeakPolarHBondContact OD1-CB 3.34Å; D150-E152 PolarHBondContact OD1-N 3.06Å; D150-K153 HydrophobicContact CB-CD 4.06Å; D150-K153 HydrophobicContact CB-CG 4.29Å; D150-K153 PolarHBondContact O-N 3Å; D150-K153 WeakPolarHBondContact OD2-CE 3.4Å; D150-K153 IonicContact OD2-NZ 2.98Å; D150-K153 PolarHBondContact OD2-NZ 3.02Å
151	I	98.7	Very high	98.5	Very high	11 Å²	11	57.7 Å²	57.7	6%	0.056	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-58.4	-31	-179.1	-170.6	59.2	0	0	0	112.4	L76 V78 L102 E149 K153 K154 F159 V174 V178	L76-I151 HydrophobicContact CD2-CD1 4.48Å; V78-I151 HydrophobicContact CG1-CB 4.12Å; V78-I151 HydrophobicContact CG1-CG1 4.28Å; V78-I151 HydrophobicContact CG1-CG2 4.24Å; V78-I151 HydrophobicContact CG2-CD1 3.79Å; V78-I151 HydrophobicContact CG2-CG1 4.06Å; L102-I151 HydrophobicContact CD1-CD1 4.03Å; L102-I151 HydrophobicContact CD2-CB 3.94Å; L102-I151 HydrophobicContact CD2-CD1 4.36Å; E149-I151 PolarHBondContact O-N 2.89Å; I151-K153 PolarHBondContact O-N 2.94Å; I151-K154 HydrophobicContact CD1-CB 4.49Å; I151-K154 HydrophobicContact CD1-CG 4.12Å; I151-K154 WeakPolarHBondContact O-CB 3.07Å; I151-K154 PolarHBondContact O-N 3.07Å; I151-F159 HydrophobicContact CD1-CE1 3.72Å; I151-F159 HydrophobicContact CD1-CZ 3.67Å; I151-F159 HydrophobicContact CG1-CZ 4.44Å; I151-V174 HydrophobicContact CG2-CG1 3.83Å; I151-V178 HydrophobicContact CG1-CG2 4.41Å
152	E	98	Very high	98.6	Very high	99 Å²	99	55.6 Å²	55.6	46%	0.463	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-64.6	-27.5	179.4	-78.3	-171.6	-165.7	0	0	112.8	D150 V174 K177	D150-E152 PolarHBondContact O-N 3.21Å; D150-E152 WeakPolarHBondContact OD1-CB 3.34Å; D150-E152 PolarHBondContact OD1-N 3.06Å; E152-V174 HydrophobicContact CG-CG2 3.36Å; E152-V174 WeakPolarHBondContact OE1-CG2 3.47Å; E152-K177 PolarHBondContact O-NZ 3.26Å
153	K	98.3	Very high	98.6	Very high	160 Å²	160	58.7 Å²	58.7	70%	0.696	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-90.4	-7.9	-176.7	-60.3	175.4	-168.5	152.7	0	112.4	D150 I151	D150-K153 HydrophobicContact CB-CD 4.06Å; D150-K153 HydrophobicContact CB-CG 4.29Å; D150-K153 PolarHBondContact O-N 3Å; D150-K153 WeakPolarHBondContact OD2-CE 3.4Å; D150-K153 IonicContact OD2-NZ 2.98Å; D150-K153 PolarHBondContact OD2-NZ 3.02Å; I151-K153 PolarHBondContact O-N 2.94Å
154	K	98.6	Very high	98.6	Very high	13 Å²	13	55.5 Å²	55.5	6%	0.057	29%	0.288	C	S	.	.			trans	-67.8	129.7	179.6	-65.8	-62	-174.2	-177.4	0	110.9	L102 D147 E149 I151 F158 F159	L102-K154 HydrophobicContact CD1-CG 4.28Å; D147-K154 WeakPolarHBondContact OD1-CE 3.21Å; D147-K154 IonicContact OD1-NZ 2.77Å; D147-K154 PolarHBondContact OD1-NZ 2.94Å; D147-K154 WeakPolarHBondContact OD2-CE 3.49Å; D147-K154 IonicContact OD2-NZ 3.83Å; D147-K154 PolarHBondContact OD2-NZ 2.91Å; E149-K154 IonicContact OE2-NZ 3.05Å; E149-K154 PolarHBondContact OE2-NZ 2.97Å; I151-K154 HydrophobicContact CD1-CB 4.49Å; I151-K154 HydrophobicContact CD1-CG 4.12Å; I151-K154 WeakPolarHBondContact O-CB 3.07Å; I151-K154 PolarHBondContact O-N 3.07Å; K154-F158 HydrophobicContact CB-CB 4.22Å; K154-F158 HydrophobicContact CB-CD1 3.81Å; K154-F158 HydrophobicContact CB-CE1 4.46Å; K154-F158 HydrophobicContact CB-CG 4.16Å; K154-F158 HydrophobicContact CD-CD1 3.95Å; K154-F158 HydrophobicContact CD-CD2 4.08Å; K154-F158 HydrophobicContact CD-CE1 4.1Å; K154-F158 HydrophobicContact CD-CE2 4.24Å; K154-F158 HydrophobicContact CD-CG 3.92Å; K154-F158 HydrophobicContact CD-CZ 4.25Å; K154-F158 HydrophobicContact CG-CD1 3.81Å; K154-F158 HydrophobicContact CG-CE1 4Å; K154-F158 HydrophobicContact CG-CG 4.24Å; K154-F159 HydrophobicContact CB-CE2 3.87Å; K154-F159 HydrophobicContact CB-CZ 3.99Å
155	P	98.4	Very high	98.6	Very high	75 Å²	75	55 Å²	55	49%	0.487	29%	0.285	S	S	.	.			trans	-71.2	158	174.8	31	-35.4	0	0	0	110.8	S157 F158 F159	P155-S157 PolarHBondContact O-N 2.97Å; P155-S157 VanDerWaalsContact O-N 3.14Å; P155-F158 HydrophobicContact CG-CB 4.26Å; P155-F158 WeakPolarHBondContact O-CB 3.19Å; P155-F158 PolarHBondContact O-N 3.18Å; P155-F159 WeakPolarHBondContact O-CD2 3.18Å
156	E	97.9	Very high	98.6	Very high	68 Å²	68	50.4 Å²	50.4	32%	0.318	27%	0.265	S	S	.	.	H	α-helix	trans	-52.3	-39	177.5	-168.6	179.1	157.8	0	0	112.6	F158 F159 I181 K184 N185	E156-F158 PolarHBondContact O-N 2.88Å; E156-F158 VanDerWaalsContact O-N 3.15Å; E156-F159 PolarHBondContact O-N 3.08Å; E156-I181 HydrophobicContact CG-CG1 4.37Å; E156-I181 HydrophobicContact CG-CG2 3.84Å; E156-K184 WeakPolarHBondContact OE1-CD 3.31Å; E156-K184 VanDerWaalsContact OE1-CE 3.27Å; E156-K184 WeakPolarHBondContact OE1-CE 3.29Å; E156-K184 IonicContact OE1-NZ 2.8Å; E156-K184 PolarHBondContact OE1-NZ 2.95Å; E156-K184 IonicContact OE2-NZ 2.82Å; E156-K184 PolarHBondContact OE2-NZ 3.35Å; E156-N185 PolarHBondContact OE1-ND2 3.47Å
157	S	98.4	Very high	98.6	Very high	85 Å²	85	48.4 Å²	48.4	59%	0.594	25%	0.253	S	S	*	.	H	α-helix	trans	-63.1	-18.6	178.3	59.8	0	0	0	0	114.4	P155 F159 T160	P155-S157 PolarHBondContact O-N 2.97Å; P155-S157 VanDerWaalsContact O-N 3.14Å; S157-F159 VanDerWaalsContact C-N 3.33Å; S157-T160 PolarHBondContact O-OG1 3.36Å
158	F	98.8	Very high	98.6	Very high	26 Å²	26	47 Å²	47	11%	0.114	25%	0.246	C	C	.	.	H	α-helix	trans	-67.4	-36.9	173.5	171.8	-103	0	0	0	111.2	L76 L102 D147 K154 P155 E156 Q161 F162	L76-F158 HydrophobicContact CD1-CE1 4.11Å; L76-F158 HydrophobicContact CD1-CZ 4.12Å; L76-F158 HydrophobicContact CD2-CD1 4.46Å; L76-F158 HydrophobicContact CD2-CE1 3.68Å; L76-F158 HydrophobicContact CD2-CZ 4.48Å; L102-F158 HydrophobicContact CD1-CE1 3.95Å; L102-F158 HydrophobicContact CD1-CZ 3.86Å; D147-F158 WeakPolarHBondContact OD2-CE2 3.09Å; K154-F158 HydrophobicContact CB-CB 4.22Å; K154-F158 HydrophobicContact CB-CD1 3.81Å; K154-F158 HydrophobicContact CB-CE1 4.46Å; K154-F158 HydrophobicContact CB-CG 4.16Å; K154-F158 HydrophobicContact CD-CD1 3.95Å; K154-F158 HydrophobicContact CD-CD2 4.08Å; K154-F158 HydrophobicContact CD-CE1 4.1Å; K154-F158 HydrophobicContact CD-CE2 4.24Å; K154-F158 HydrophobicContact CD-CG 3.92Å; K154-F158 HydrophobicContact CD-CZ 4.25Å; K154-F158 HydrophobicContact CG-CD1 3.81Å; K154-F158 HydrophobicContact CG-CE1 4Å; K154-F158 HydrophobicContact CG-CG 4.24Å; P155-F158 HydrophobicContact CG-CB 4.26Å; P155-F158 WeakPolarHBondContact O-CB 3.19Å; P155-F158 PolarHBondContact O-N 3.18Å; E156-F158 PolarHBondContact O-N 2.88Å; E156-F158 VanDerWaalsContact O-N 3.15Å; F158-Q161 WeakPolarHBondContact O-CG 3.44Å; F158-Q161 PolarHBondContact O-NE2 2.87Å; F158-F162 HydrophobicContact CD1-CE2 4.37Å; F158-F162 AromaticContact CE1-CE2 3.93Å; F158-F162 HydrophobicContact CE1-CE2 3.93Å; F158-F162 HydrophobicContact CE2-CE2 4.34Å; F158-F162 AromaticContact CZ-CE2 3.91Å; F158-F162 HydrophobicContact CZ-CE2 3.91Å; F158-F162 HydrophobicContact CZ-CZ 4.2Å; F158-F162 WeakPolarHBondContact O-CE2 3.24Å
159	F	98.8	Very high	98.6	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.009	24%	0.238	C	C	.	.	H	α-helix	trans	-76.2	-28.4	-173.3	-62.1	-88.9	0	0	0	112.5	L76 I151 K154 P155 E156 S157 Q161 F162 V165 V178 I181 I187	L76-F159 HydrophobicContact CD2-CD1 3.97Å; L76-F159 HydrophobicContact CD2-CE1 3.99Å; I151-F159 HydrophobicContact CD1-CE1 3.72Å; I151-F159 HydrophobicContact CD1-CZ 3.67Å; I151-F159 HydrophobicContact CG1-CZ 4.44Å; K154-F159 HydrophobicContact CB-CE2 3.87Å; K154-F159 HydrophobicContact CB-CZ 3.99Å; P155-F159 WeakPolarHBondContact O-CD2 3.18Å; E156-F159 PolarHBondContact O-N 3.08Å; S157-F159 VanDerWaalsContact C-N 3.33Å; F159-Q161 PolarHBondContact O-N 3.03Å; F159-F162 WeakPolarHBondContact O-CD2 3.24Å; F159-F162 PolarHBondContact O-N 2.72Å; F159-F162 VanDerWaalsContact O-N 3.08Å; F159-V165 HydrophobicContact CD1-CG2 4.18Å; F159-V178 HydrophobicContact CD1-CG1 4.32Å; F159-V178 HydrophobicContact CE1-CG1 3.87Å; F159-V178 HydrophobicContact CE1-CG2 4.22Å; F159-V178 HydrophobicContact CZ-CG2 4.17Å; F159-I181 HydrophobicContact CB-CG2 3.95Å; F159-I181 HydrophobicContact CD2-CD1 4.45Å; F159-I181 HydrophobicContact CD2-CG2 3.78Å; F159-I181 HydrophobicContact CE2-CD1 4.15Å; F159-I181 HydrophobicContact CE2-CG2 4.47Å; F159-I181 HydrophobicContact CG-CG2 3.89Å; F159-I187 HydrophobicContact CB-CD1 4.03Å; F159-I187 VanDerWaalsContact O-CD1 3.32Å; F159-I187 WeakPolarHBondContact O-CD1 3.43Å
160	T	98.6	Very high	98.6	Very high	78 Å²	78	40.8 Å²	40.8	48%	0.479	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-4.6	-175.1	57.9	0	0	0	0	115	S157 N185	S157-T160 PolarHBondContact O-OG1 3.36Å; T160-N185 HydrophobicContact CG2-CB 4.22Å
161	Q	98.6	Very high	98.6	Very high	93 Å²	93	40.7 Å²	40.7	44%	0.435	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-3.1	174.3	75.6	-171.1	-65.1	0	0	113.9	R74 F158 F159	R74-Q161 PolarHBondContact NH1-O 3.47Å; F158-Q161 WeakPolarHBondContact O-CG 3.44Å; F158-Q161 PolarHBondContact O-NE2 2.87Å; F159-Q161 PolarHBondContact O-N 3.03Å
162	F	98.9	Very high	98.6	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.026	23%	0.228	C	C	.	.			trans	-115.6	145	-175.8	-56.7	-72.4	0	0	0	111.4	R74 L76 T100 F158 F159 V165	R74-F162 HydrophobicContact CB-CD1 4.4Å; R74-F162 HydrophobicContact CG-CD1 3.74Å; R74-F162 HydrophobicContact CG-CE1 4Å; L76-F162 HydrophobicContact CB-CB 4.36Å; L76-F162 HydrophobicContact CB-CD1 3.77Å; L76-F162 HydrophobicContact CB-CD2 3.7Å; L76-F162 HydrophobicContact CB-CE1 3.93Å; L76-F162 HydrophobicContact CB-CE2 3.85Å; L76-F162 HydrophobicContact CB-CG 3.68Å; L76-F162 HydrophobicContact CB-CZ 3.96Å; L76-F162 HydrophobicContact CD1-CE2 4.1Å; L76-F162 HydrophobicContact CD1-CZ 3.97Å; L76-F162 HydrophobicContact CD2-CD2 4.14Å; L76-F162 HydrophobicContact CD2-CE2 4.01Å; L76-F162 HydrophobicContact CG-CD2 4.41Å; L76-F162 HydrophobicContact CG-CE2 4.21Å; L76-F162 HydrophobicContact CG-CZ 4.41Å; T100-F162 HydrophobicContact CG2-CZ 4.19Å; T100-F162 WeakPolarHBondContact OG1-CE1 3.48Å; F158-F162 HydrophobicContact CD1-CE2 4.37Å; F158-F162 AromaticContact CE1-CE2 3.93Å; F158-F162 HydrophobicContact CE1-CE2 3.93Å; F158-F162 HydrophobicContact CE2-CE2 4.34Å; F158-F162 AromaticContact CZ-CE2 3.91Å; F158-F162 HydrophobicContact CZ-CE2 3.91Å; F158-F162 HydrophobicContact CZ-CZ 4.2Å; F158-F162 WeakPolarHBondContact O-CE2 3.24Å; F159-F162 WeakPolarHBondContact O-CD2 3.24Å; F159-F162 PolarHBondContact O-N 2.72Å; F159-F162 VanDerWaalsContact O-N 3.08Å; F162-V165 HydrophobicContact CB-CG2 4.41Å
163	D	98.9	Very high	98.6	Very high	68 Å²	68	44.1 Å²	44.1	36%	0.364	23%	0.234	S	C	.	.	S	Bend	trans	-89.2	-24.7	176.3	-58.4	-76.9	0	0	0	112.2	S73 R74 K188 L354	S73-D163 VanDerWaalsContact CA-OD2 3.26Å; S73-D163 WeakPolarHBondContact CA-OD2 2.99Å; R74-D163 PolarHBondContact N-OD2 3.33Å; R74-D163 PolarHBondContact O-N 2.84Å; D163-K188 PolarHBondContact O-N 2.83Å; D163-L354 HydrophobicContact CB-CD2 3.78Å
164	A	98.9	Very high	98.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	145.5	173	0	0	0	0	0	111.4	V75 L76 K188 F190 I350 L354	V75-A164 WeakPolarHBondContact CA-O 3.47Å; V75-A164 HydrophobicContact CG2-CB 4.48Å; L76-A164 PolarHBondContact N-O 3.17Å; A164-K188 CarbonylContact C-O 3.36Å; A164-K188 VanDerWaalsContact CA-O 3.26Å; A164-K188 WeakPolarHBondContact CA-O 2.94Å; A164-K188 HydrophobicContact CB-CB 4.04Å; A164-F190 HydrophobicContact CB-CD2 4.48Å; A164-F190 HydrophobicContact CB-CE2 4.21Å; A164-I350 HydrophobicContact CB-CG2 4.49Å; A164-L354 HydrophobicContact CB-CD2 3.88Å; A164-L354 HydrophobicContact CB-CG 4.36Å
165	V	98.9	Very high	98.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127.5	174.9	175.6	0	0	0	0	108.3	L76 F159 F162 L167 V178 I187 K188 F190	L76-V165 HydrophobicContact CB-CG2 4.14Å; L76-V165 HydrophobicContact CD2-CG1 4.02Å; L76-V165 HydrophobicContact CD2-CG2 4.16Å; L76-V165 HydrophobicContact CG-CG1 4.45Å; L76-V165 WeakPolarHBondContact O-CA 3.5Å; F159-V165 HydrophobicContact CD1-CG2 4.18Å; F162-V165 HydrophobicContact CB-CG2 4.41Å; V165-L167 HydrophobicContact CG1-CD2 4.01Å; V165-L167 HydrophobicContact CG1-CG 4.48Å; V165-V178 HydrophobicContact CG1-CG1 3.83Å; V165-I187 HydrophobicContact CG2-CG2 3.83Å; V165-K188 PolarHBondContact N-O 3.3Å; V165-F190 PolarHBondContact O-N 3.35Å
166	C	98.9	Very high	98.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.9	176.5	-173.4	0	0	0	0	109.7	L76 L77 V78 F190 I350	L76-C166 PolarHBondContact O-N 3.33Å; L77-C166 WeakPolarHBondContact CA-O 3.4Å; L77-C166 HydrophobicContact CD1-CB 3.93Å; V78-C166 PolarHBondContact N-O 3.16Å; C166-F190 CarbonylContact C-O 3.58Å; C166-F190 WeakPolarHBondContact CA-O 3.44Å; C166-F190 HydrophobicContact CB-CB 4.2Å; C166-I350 HydrophobicContact CB-CD1 3.88Å
167	L	98.9	Very high	98.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	139.1	176.7	-58.2	-171.9	0	0	0	111.6	V78 V165 C170 V174 I175 V178 F189 F190 T191 G192	V78-L167 HydrophobicContact CB-CD2 3.57Å; V78-L167 HydrophobicContact CG1-CD2 4.25Å; V78-L167 HydrophobicContact CG2-CD2 3.42Å; V78-L167 VanDerWaalsContact CG2-CD2 3.42Å; V165-L167 HydrophobicContact CG1-CD2 4.01Å; V165-L167 HydrophobicContact CG1-CG 4.48Å; L167-C170 HydrophobicContact CB-CB 4.43Å; L167-C170 HydrophobicContact CD1-CB 4.34Å; L167-V174 HydrophobicContact CD1-CG1 4.26Å; L167-I175 HydrophobicContact CD1-CG1 4.33Å; L167-V178 HydrophobicContact CD1-CB 3.83Å; L167-V178 HydrophobicContact CD1-CG1 4.06Å; L167-V178 HydrophobicContact CD1-CG2 4.07Å; L167-V178 HydrophobicContact CD2-CG1 4.32Å; L167-V178 HydrophobicContact CG-CG1 4.4Å; L167-F189 HydrophobicContact CD1-CE2 3.74Å; L167-F189 HydrophobicContact CD1-CZ 3.99Å; L167-F189 HydrophobicContact CG-CE2 3.9Å; L167-F189 HydrophobicContact CG-CZ 4.34Å; L167-F190 PolarHBondContact N-O 3.3Å; L167-T191 CarbonylContact O-C 3.48Å; L167-T191 WeakPolarHBondContact O-CA 3.42Å; L167-T191 PolarHBondContact O-OG1 3.03Å; L167-G192 PolarHBondContact O-N 3.01Å
168	T	98.9	Very high	98.8	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	16%	0.158	C	C	.	.			trans	-131	158.4	161.9	73.4	0	0	0	0	109.1	L77 V78 G79 L83 I87 C170 G192	L77-T168 HydrophobicContact CD1-CG2 4.48Å; V78-T168 PolarHBondContact O-N 3.14Å; V78-T168 PolarHBondContact O-OG1 2.9Å; G79-T168 PolarHBondContact O-OG1 2.91Å; G79-T168 VanDerWaalsContact O-OG1 3.09Å; L83-T168 HydrophobicContact CD2-CG2 3.86Å; L83-T168 HydrophobicContact CG-CG2 4.1Å; I87-T168 HydrophobicContact CD1-CG2 3.87Å; T168-C170 PolarHBondContact O-N 2.88Å; T168-C170 PolarHBondContact O-SG 3.09Å; T168-G192 WeakPolarHBondContact CA-O 3.41Å; T168-G192 WeakPolarHBondContact CB-O 3.36Å
169	C	97.9	Very high	98.8	Very high	31 Å²	31	29.2 Å²	29.2	21%	0.209	15%	0.153	C	C	.	.	S	Bend	trans	58.3	20.5	174.1	-46.7	0	0	0	0	114.7	K81 D193 R286	K81-C169 HydrophobicContact CD-CB 4.45Å; K81-C169 VanDerWaalsContact CD-SG 3.56Å; C169-D193 VanDerWaalsContact CA-OD1 3.28Å; C169-D193 WeakPolarHBondContact CA-OD1 3.33Å; C169-D193 PolarHBondContact N-OD1 2.95Å; C169-R286 VanDerWaalsContact C-NH1 3.33Å
170	C	98.6	Very high	98.8	Very high	10 Å²	10	34.2 Å²	34.2	7%	0.068	18%	0.176	C	C	.	.			trans	-93.9	150.1	-178.4	-70.5	0	0	0	0	111.3	L167 T168 V174 I175 R286	L167-C170 HydrophobicContact CB-CB 4.43Å; L167-C170 HydrophobicContact CD1-CB 4.34Å; T168-C170 PolarHBondContact O-N 2.88Å; T168-C170 PolarHBondContact O-SG 3.09Å; C170-V174 HydrophobicContact CB-CB 4.06Å; C170-V174 HydrophobicContact CB-CG1 3.84Å; C170-I175 HydrophobicContact CB-CD1 4.5Å; C170-I175 HydrophobicContact CB-CG1 3.96Å; C170-R286 WeakPolarHBondContact O-CD 3.49Å; C170-R286 PolarHBondContact O-NH1 3.17Å
171	S	98.6	Very high	98.8	Very high	29 Å²	29	31.6 Å²	31.6	20%	0.203	16%	0.159	C	C	.	.			trans	-67.6	161.4	171.2	71.5	0	0	0	0	111	D173 V174 I175	S171-D173 PolarHBondContact O-N 2.82Å; S171-V174 PolarHBondContact O-N 2.9Å; S171-V174 WeakPolarHBondContact OG-CG2 3.29Å; S171-V174 PolarHBondContact OG-N 3.06Å; S171-I175 WeakPolarHBondContact O-CG1 3.37Å; S171-I175 PolarHBondContact O-N 2.74Å
172	R	98.7	Very high	98.8	Very high	68 Å²	68	27.1 Å²	27.1	26%	0.257	14%	0.138	S	C	.	.	H	α-helix	trans	-54.9	-40.6	175.2	176.1	177.9	170.6	172.8	-3.4	111.8	I175 V176 L256 E257	R172-I175 PolarHBondContact O-N 2.82Å; R172-V176 HydrophobicContact CG-CG2 4.43Å; R172-V176 WeakPolarHBondContact O-CG2 3.29Å; R172-V176 PolarHBondContact O-N 3.02Å; R172-L256 HydrophobicContact CG-CD1 4.26Å; R172-E257 IonicContact CZ-OE1 3.83Å; R172-E257 IonicContact NH2-OE1 2.78Å; R172-E257 PolarHBondContact NH2-OE1 3.45Å
173	D	98.7	Very high	98.8	Very high	113 Å²	113	31.8 Å²	31.8	60%	0.604	16%	0.159	S	C	*	.	H	α-helix	trans	-65.3	-41.2	-178.3	-70.2	-5	0	0	0	111.5	S171 K177	S171-D173 PolarHBondContact O-N 2.82Å; D173-K177 WeakPolarHBondContact O-CB 3.39Å; D173-K177 PolarHBondContact O-N 2.91Å
174	V	98.8	Very high	98.8	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.03	17%	0.171	C	C	.	.	H	α-helix	trans	-64.8	-45.9	173.7	175.4	0	0	0	0	111.3	I151 E152 L167 C170 S171 V176 K177 V178	I151-V174 HydrophobicContact CG2-CG1 3.83Å; E152-V174 HydrophobicContact CG-CG2 3.36Å; E152-V174 WeakPolarHBondContact OE1-CG2 3.47Å; L167-V174 HydrophobicContact CD1-CG1 4.26Å; C170-V174 HydrophobicContact CB-CB 4.06Å; C170-V174 HydrophobicContact CB-CG1 3.84Å; S171-V174 PolarHBondContact O-N 2.9Å; S171-V174 WeakPolarHBondContact OG-CG2 3.29Å; S171-V174 PolarHBondContact OG-N 3.06Å; V174-V176 VanDerWaalsContact C-N 3.34Å; V174-V176 PolarHBondContact O-N 3.24Å; V174-K177 PolarHBondContact O-N 2.96Å; V174-V178 HydrophobicContact CG1-CG2 4.14Å; V174-V178 WeakPolarHBondContact O-CB 3.47Å; V174-V178 WeakPolarHBondContact O-CG2 3.4Å; V174-V178 PolarHBondContact O-N 3.32Å
175	I	98.9	Very high	98.8	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-55.7	-50.6	178.5	-72.2	166.4	0	0	0	110.2	L167 C170 S171 R172 D179 F189 T191 V252 L283	L167-I175 HydrophobicContact CD1-CG1 4.33Å; C170-I175 HydrophobicContact CB-CD1 4.5Å; C170-I175 HydrophobicContact CB-CG1 3.96Å; S171-I175 WeakPolarHBondContact O-CG1 3.37Å; S171-I175 PolarHBondContact O-N 2.74Å; R172-I175 PolarHBondContact O-N 2.82Å; I175-D179 VanDerWaalsContact O-CB 3.29Å; I175-D179 WeakPolarHBondContact O-CB 3.34Å; I175-D179 PolarHBondContact O-N 3.36Å; I175-F189 HydrophobicContact CG2-CE1 4.39Å; I175-F189 HydrophobicContact CG2-CZ 4.12Å; I175-T191 HydrophobicContact CG2-CG2 4.05Å; I175-V252 HydrophobicContact CG2-CB 4.41Å; I175-V252 HydrophobicContact CG2-CG1 3.88Å; I175-V252 HydrophobicContact CG2-CG2 3.78Å; I175-L283 HydrophobicContact CD1-CD2 4.16Å
176	V	98.9	Very high	98.7	Very high	17 Å²	17	43.1 Å²	43.1	10%	0.103	22%	0.222	C	C	.	.	H	α-helix	trans	-65	-44.1	179.1	172.1	0	0	0	0	111.6	R172 V174 V178 Q180 V252 K253	R172-V176 HydrophobicContact CG-CG2 4.43Å; R172-V176 WeakPolarHBondContact O-CG2 3.29Å; R172-V176 PolarHBondContact O-N 3.02Å; V174-V176 VanDerWaalsContact C-N 3.34Å; V174-V176 PolarHBondContact O-N 3.24Å; V176-V178 PolarHBondContact O-N 2.85Å; V176-Q180 VanDerWaalsContact O-CG 3.25Å; V176-Q180 WeakPolarHBondContact O-CG 3.32Å; V176-Q180 PolarHBondContact O-N 2.88Å; V176-V252 HydrophobicContact CB-CG1 4.43Å; V176-V252 HydrophobicContact CG2-CG1 3.97Å; V176-K253 HydrophobicContact CG1-CB 4.09Å; V176-K253 HydrophobicContact CG1-CD 4.31Å; V176-K253 HydrophobicContact CG2-CB 4.29Å
177	K	98.9	Very high	98.7	Very high	87 Å²	87	43.7 Å²	43.7	38%	0.378	23%	0.225	S	C	.	.	H	α-helix	trans	-59.7	-47.7	179.6	177.7	-175.9	176.9	-177.6	0	111.7	E152 D173 V174 Q180 I181	E152-K177 PolarHBondContact O-NZ 3.26Å; D173-K177 WeakPolarHBondContact O-CB 3.39Å; D173-K177 PolarHBondContact O-N 2.91Å; V174-K177 PolarHBondContact O-N 2.96Å; K177-Q180 PolarHBondContact O-N 3.18Å; K177-I181 HydrophobicContact CG-CD1 4.18Å; K177-I181 WeakPolarHBondContact O-CG1 3.43Å; K177-I181 PolarHBondContact O-N 3.23Å; K177-I181 VanDerWaalsContact O-N 3.12Å
178	V	98.9	Very high	98.7	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.018	23%	0.234	C	C	.	.	H	α-helix	trans	-72.7	-38.7	-177.3	176.7	0	0	0	0	111.2	I151 F159 V165 L167 V174 V176 Q180 I181 C182 F189	I151-V178 HydrophobicContact CG1-CG2 4.41Å; F159-V178 HydrophobicContact CD1-CG1 4.32Å; F159-V178 HydrophobicContact CE1-CG1 3.87Å; F159-V178 HydrophobicContact CE1-CG2 4.22Å; F159-V178 HydrophobicContact CZ-CG2 4.17Å; V165-V178 HydrophobicContact CG1-CG1 3.83Å; L167-V178 HydrophobicContact CD1-CB 3.83Å; L167-V178 HydrophobicContact CD1-CG1 4.06Å; L167-V178 HydrophobicContact CD1-CG2 4.07Å; L167-V178 HydrophobicContact CD2-CG1 4.32Å; L167-V178 HydrophobicContact CG-CG1 4.4Å; V174-V178 HydrophobicContact CG1-CG2 4.14Å; V174-V178 WeakPolarHBondContact O-CB 3.47Å; V174-V178 WeakPolarHBondContact O-CG2 3.4Å; V174-V178 PolarHBondContact O-N 3.32Å; V176-V178 PolarHBondContact O-N 2.85Å; V178-Q180 VanDerWaalsContact C-N 3.32Å; V178-Q180 PolarHBondContact O-N 3.09Å; V178-I181 PolarHBondContact O-N 3.43Å; V178-C182 WeakPolarHBondContact O-CB 3.38Å; V178-C182 PolarHBondContact O-N 2.72Å; V178-C182 PolarHBondContact O-SG 3.44Å; V178-F189 HydrophobicContact CB-CE2 4.09Å; V178-F189 HydrophobicContact CG1-CD2 4.1Å; V178-F189 HydrophobicContact CG1-CE2 3.8Å
179	D	98.9	Very high	98.7	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-56.3	-46.1	172.7	178.6	58.7	0	0	0	111.5	I175 I181 C182 H183 F189 N204 P251 V252	I175-D179 VanDerWaalsContact O-CB 3.29Å; I175-D179 WeakPolarHBondContact O-CB 3.34Å; I175-D179 PolarHBondContact O-N 3.36Å; D179-I181 PolarHBondContact O-N 2.89Å; D179-C182 PolarHBondContact O-N 2.78Å; D179-H183 WeakPolarHBondContact O-CB 3.22Å; D179-H183 PolarHBondContact O-N 3.03Å; D179-F189 HydrophobicContact CB-CD1 3.78Å; D179-F189 HydrophobicContact CB-CD2 4.24Å; D179-F189 HydrophobicContact CB-CE1 3.74Å; D179-F189 HydrophobicContact CB-CE2 4.2Å; D179-F189 HydrophobicContact CB-CG 4.03Å; D179-F189 HydrophobicContact CB-CZ 3.95Å; D179-F189 WeakPolarHBondContact OD1-CD1 3.16Å; D179-N204 WeakPolarHBondContact OD1-CB 3.36Å; D179-N204 PolarHBondContact OD1-ND2 2.95Å; D179-P251 WeakPolarHBondContact OD2-CA 3.38Å; D179-V252 HydrophobicContact CB-CB 4.25Å; D179-V252 HydrophobicContact CB-CG1 3.51Å; D179-V252 WeakPolarHBondContact OD2-CG1 3.39Å; D179-V252 PolarHBondContact OD2-N 3Å
180	Q	98.9	Very high	98.8	Very high	106 Å²	106	44.3 Å²	44.3	50%	0.495	22%	0.224	S	C	.	.	H	α-helix	trans	-61.7	-44.3	177	-73	171.9	-2.1	0	0	112.6	V176 K177 V178 C182 K184	V176-Q180 VanDerWaalsContact O-CG 3.25Å; V176-Q180 WeakPolarHBondContact O-CG 3.32Å; V176-Q180 PolarHBondContact O-N 2.88Å; K177-Q180 PolarHBondContact O-N 3.18Å; V178-Q180 VanDerWaalsContact C-N 3.32Å; V178-Q180 PolarHBondContact O-N 3.09Å; Q180-C182 VanDerWaalsContact C-N 3.34Å; Q180-K184 WeakPolarHBondContact O-CB 3.36Å; Q180-K184 PolarHBondContact O-N 3.29Å
181	I	98.9	Very high	98.8	Very high	23 Å²	23	43.9 Å²	43.9	12%	0.118	22%	0.221	C	C	.	.	H	α-helix	trans	-59.3	-47.2	174.4	-73.4	166	0	0	0	110.2	E156 F159 K177 V178 D179 K184 N185	E156-I181 HydrophobicContact CG-CG1 4.37Å; E156-I181 HydrophobicContact CG-CG2 3.84Å; F159-I181 HydrophobicContact CB-CG2 3.95Å; F159-I181 HydrophobicContact CD2-CD1 4.45Å; F159-I181 HydrophobicContact CD2-CG2 3.78Å; F159-I181 HydrophobicContact CE2-CD1 4.15Å; F159-I181 HydrophobicContact CE2-CG2 4.47Å; F159-I181 HydrophobicContact CG-CG2 3.89Å; K177-I181 HydrophobicContact CG-CD1 4.18Å; K177-I181 WeakPolarHBondContact O-CG1 3.43Å; K177-I181 PolarHBondContact O-N 3.23Å; K177-I181 VanDerWaalsContact O-N 3.12Å; V178-I181 PolarHBondContact O-N 3.43Å; D179-I181 PolarHBondContact O-N 2.89Å; I181-K184 PolarHBondContact O-N 3.49Å; I181-N185 PolarHBondContact O-N 3.32Å; I181-N185 PolarHBondContact O-ND2 3.02Å
182	C	98.9	Very high	98.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-47.8	-179	-69.4	0	0	0	0	111.4	V178 D179 Q180 K184 N185 S186 I187 F189	V178-C182 WeakPolarHBondContact O-CB 3.38Å; V178-C182 PolarHBondContact O-N 2.72Å; V178-C182 PolarHBondContact O-SG 3.44Å; D179-C182 PolarHBondContact O-N 2.78Å; Q180-C182 VanDerWaalsContact C-N 3.34Å; C182-K184 PolarHBondContact O-N 3.42Å; C182-N185 CarbonylContact O-C 3.58Å; C182-N185 PolarHBondContact O-N 3.49Å; C182-N185 VanDerWaalsContact O-N 3.07Å; C182-S186 PolarHBondContact O-N 3.17Å; C182-I187 HydrophobicContact CB-CB 3.89Å; C182-I187 HydrophobicContact CB-CG2 4.3Å; C182-I187 PolarHBondContact O-N 3.12Å; C182-F189 HydrophobicContact CB-CB 3.96Å; C182-F189 HydrophobicContact CB-CD2 4.42Å
183	H	98.4	Very high	98.8	Very high	103 Å²	103	39.4 Å²	39.4	48%	0.477	20%	0.2	S	C	.	.	H	α-helix	trans	-58.5	-46.9	179	-178.8	-102.5	0	0	0	112	D179 N185 S186	D179-H183 WeakPolarHBondContact O-CB 3.22Å; D179-H183 PolarHBondContact O-N 3.03Å; H183-N185 PolarHBondContact O-N 3.04Å; H183-S186 PolarHBondContact O-N 3.32Å
184	K	98.6	Very high	98.8	Very high	141 Å²	141	34.3 Å²	34.3	61%	0.613	17%	0.173	S	C	*	.	H	α-helix	trans	-58.6	-31	176.8	-179.3	-179.3	167.1	-152.4	0	112.9	E156 Q180 I181 C182	E156-K184 WeakPolarHBondContact OE1-CD 3.31Å; E156-K184 VanDerWaalsContact OE1-CE 3.27Å; E156-K184 WeakPolarHBondContact OE1-CE 3.29Å; E156-K184 IonicContact OE1-NZ 2.8Å; E156-K184 PolarHBondContact OE1-NZ 2.95Å; E156-K184 IonicContact OE2-NZ 2.82Å; E156-K184 PolarHBondContact OE2-NZ 3.35Å; Q180-K184 WeakPolarHBondContact O-CB 3.36Å; Q180-K184 PolarHBondContact O-N 3.29Å; I181-K184 PolarHBondContact O-N 3.49Å; C182-K184 PolarHBondContact O-N 3.42Å
185	N	98.7	Very high	98.8	Very high	54 Å²	54	34.5 Å²	34.5	29%	0.289	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	11.3	-176.4	-66.9	-79.6	0	0	0	113.5	E156 T160 I181 C182 H183 I187	E156-N185 PolarHBondContact OE1-ND2 3.47Å; T160-N185 HydrophobicContact CG2-CB 4.22Å; I181-N185 PolarHBondContact O-N 3.32Å; I181-N185 PolarHBondContact O-ND2 3.02Å; C182-N185 CarbonylContact O-C 3.58Å; C182-N185 PolarHBondContact O-N 3.49Å; C182-N185 VanDerWaalsContact O-N 3.07Å; H183-N185 PolarHBondContact O-N 3.04Å; N185-I187 HydrophobicContact CB-CD1 3.84Å; N185-I187 HydrophobicContact CB-CG1 4.02Å; N185-I187 PolarHBondContact O-N 3.16Å
186	S	98.6	Very high	98.7	Very high	111 Å²	111	34.5 Å²	34.5	78%	0.776	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	34.3	-178.4	-58.8	0	0	0	0	114.3	C182 H183	C182-S186 PolarHBondContact O-N 3.17Å; H183-S186 PolarHBondContact O-N 3.32Å
187	I	98.9	Very high	98.7	Very high	12 Å²	12	38 Å²	38	6%	0.062	19%	0.186	C	C	.	.			trans	-94.4	137.8	176.2	-56.3	168.6	0	0	0	108.6	F159 V165 C182 N185 F189	F159-I187 HydrophobicContact CB-CD1 4.03Å; F159-I187 VanDerWaalsContact O-CD1 3.32Å; F159-I187 WeakPolarHBondContact O-CD1 3.43Å; V165-I187 HydrophobicContact CG2-CG2 3.83Å; C182-I187 HydrophobicContact CB-CB 3.89Å; C182-I187 HydrophobicContact CB-CG2 4.3Å; C182-I187 PolarHBondContact O-N 3.12Å; N185-I187 HydrophobicContact CB-CD1 3.84Å; N185-I187 HydrophobicContact CB-CG1 4.02Å; N185-I187 PolarHBondContact O-N 3.16Å; I187-F189 PolarHBondContact O-N 3.17Å
188	K	98.9	Very high	98.7	Very high	43 Å²	43	34.7 Å²	34.7	19%	0.187	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	126.3	176.8	-61.3	164.2	-171.3	63.7	0	109.2	D163 A164 V165 F190 L205 A353 L354	D163-K188 PolarHBondContact O-N 2.83Å; A164-K188 CarbonylContact C-O 3.36Å; A164-K188 VanDerWaalsContact CA-O 3.26Å; A164-K188 WeakPolarHBondContact CA-O 2.94Å; A164-K188 HydrophobicContact CB-CB 4.04Å; V165-K188 PolarHBondContact N-O 3.3Å; K188-F190 HydrophobicContact CB-CE2 3.81Å; K188-L205 HydrophobicContact CB-CD2 3.88Å; K188-L205 HydrophobicContact CG-CD2 4.11Å; K188-A353 HydrophobicContact CD-CB 3.86Å; K188-A353 WeakPolarHBondContact CE-O 3.33Å; K188-L354 HydrophobicContact CD-CD2 4.08Å
189	F	98.9	Very high	98.7	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	137.7	-178.1	178	-98.6	0	0	0	111.5	L167 I175 V178 D179 C182 I187 T191 F202 A203 N204 V252	L167-F189 HydrophobicContact CD1-CE2 3.74Å; L167-F189 HydrophobicContact CD1-CZ 3.99Å; L167-F189 HydrophobicContact CG-CE2 3.9Å; L167-F189 HydrophobicContact CG-CZ 4.34Å; I175-F189 HydrophobicContact CG2-CE1 4.39Å; I175-F189 HydrophobicContact CG2-CZ 4.12Å; V178-F189 HydrophobicContact CB-CE2 4.09Å; V178-F189 HydrophobicContact CG1-CD2 4.1Å; V178-F189 HydrophobicContact CG1-CE2 3.8Å; D179-F189 HydrophobicContact CB-CD1 3.78Å; D179-F189 HydrophobicContact CB-CD2 4.24Å; D179-F189 HydrophobicContact CB-CE1 3.74Å; D179-F189 HydrophobicContact CB-CE2 4.2Å; D179-F189 HydrophobicContact CB-CG 4.03Å; D179-F189 HydrophobicContact CB-CZ 3.95Å; D179-F189 WeakPolarHBondContact OD1-CD1 3.16Å; C182-F189 HydrophobicContact CB-CB 3.96Å; C182-F189 HydrophobicContact CB-CD2 4.42Å; I187-F189 PolarHBondContact O-N 3.17Å; F189-T191 HydrophobicContact CE1-CG2 4.02Å; F189-T191 HydrophobicContact CZ-CG2 4.29Å; F189-F202 HydrophobicContact CD1-CD1 4.16Å; F189-F202 HydrophobicContact CD1-CE1 4.01Å; F189-F202 HydrophobicContact CE1-CD1 4.02Å; F189-F202 HydrophobicContact CE1-CE1 4.13Å; F189-A203 WeakPolarHBondContact O-CA 3.32Å; F189-N204 HydrophobicContact CB-CB 4.31Å; F189-N204 HydrophobicContact CD1-CB 4.31Å; F189-N204 PolarHBondContact N-O 2.82Å; F189-N204 PolarHBondContact O-N 3.03Å; F189-V252 HydrophobicContact CE1-CB 4.48Å
190	F	98.9	Very high	98.7	Very high	1 Å²	1	35.1 Å²	35.1	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	147.8	176.1	-61.4	-89.6	0	0	0	109.9	A164 V165 C166 L167 K188 F202 A203 L205 L346 E349 I350 A353	A164-F190 HydrophobicContact CB-CD2 4.48Å; A164-F190 HydrophobicContact CB-CE2 4.21Å; V165-F190 PolarHBondContact O-N 3.35Å; C166-F190 CarbonylContact C-O 3.58Å; C166-F190 WeakPolarHBondContact CA-O 3.44Å; C166-F190 HydrophobicContact CB-CB 4.2Å; L167-F190 PolarHBondContact N-O 3.3Å; K188-F190 HydrophobicContact CB-CE2 3.81Å; F190-F202 VanDerWaalsContact CA-O 3.31Å; F190-F202 WeakPolarHBondContact CA-O 3.37Å; F190-A203 HydrophobicContact CD1-CB 3.78Å; F190-A203 HydrophobicContact CE1-CB 3.75Å; F190-L205 HydrophobicContact CE1-CD2 4Å; F190-L205 HydrophobicContact CE2-CD2 4Å; F190-L205 HydrophobicContact CZ-CD2 3.47Å; F190-L205 VanDerWaalsContact CZ-CD2 3.47Å; F190-L346 HydrophobicContact CB-CD1 4.01Å; F190-L346 HydrophobicContact CD1-CD1 3.94Å; F190-L346 HydrophobicContact CG-CD1 4.34Å; F190-E349 HydrophobicContact CE1-CB 4.01Å; F190-I350 HydrophobicContact CB-CG1 4.44Å; F190-I350 HydrophobicContact CD1-CG1 3.99Å; F190-I350 HydrophobicContact CD2-CD1 4.47Å; F190-I350 HydrophobicContact CD2-CG1 3.67Å; F190-I350 HydrophobicContact CE1-CG1 4.08Å; F190-I350 HydrophobicContact CE2-CB 4.36Å; F190-I350 HydrophobicContact CE2-CG1 3.76Å; F190-I350 HydrophobicContact CG-CD1 4.44Å; F190-I350 HydrophobicContact CG-CG1 3.77Å; F190-I350 HydrophobicContact CZ-CB 4.4Å; F190-I350 HydrophobicContact CZ-CG1 3.95Å; F190-A353 HydrophobicContact CE2-CB 4.49Å; F190-A353 HydrophobicContact CZ-CB 3.74Å
191	T	99	Very high	98.7	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	154.3	167.4	-173.1	0	0	0	0	110.4	L167 I175 F189 Y200 T201 F202	L167-T191 CarbonylContact O-C 3.48Å; L167-T191 WeakPolarHBondContact O-CA 3.42Å; L167-T191 PolarHBondContact O-OG1 3.03Å; I175-T191 HydrophobicContact CG2-CG2 4.05Å; F189-T191 HydrophobicContact CE1-CG2 4.02Å; F189-T191 HydrophobicContact CZ-CG2 4.29Å; T191-Y200 HydrophobicContact CG2-CE2 4.22Å; T191-T201 CarbonylContact O-C 3.55Å; T191-T201 WeakPolarHBondContact O-CA 3.32Å; T191-F202 HydrophobicContact CG2-CB 3.75Å; T191-F202 HydrophobicContact CG2-CD1 4.04Å; T191-F202 HydrophobicContact CG2-CG 4.29Å; T191-F202 PolarHBondContact N-O 3.26Å; T191-F202 PolarHBondContact O-N 3.44Å
192	G	98.9	Very high	98.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	157.7	173.3	0	0	0	0	0	112.2	L83 L167 T168 Y200	L83-G192 VanDerWaalsContact CD2-C 3.49Å; L83-G192 WeakPolarHBondContact CD2-O 3.15Å; L167-G192 PolarHBondContact O-N 3.01Å; T168-G192 WeakPolarHBondContact CA-O 3.41Å; T168-G192 WeakPolarHBondContact CB-O 3.36Å; G192-Y200 WeakPolarHBondContact CA-O 3.36Å
193	D	98.9	Very high	98.7	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	167.9	172.6	-75.5	-70.5	0	0	0	110.7	C169 F195 G199 Y200 R286	C169-D193 VanDerWaalsContact CA-OD1 3.28Å; C169-D193 WeakPolarHBondContact CA-OD1 3.33Å; C169-D193 PolarHBondContact N-OD1 2.95Å; D193-F195 HydrophobicContact CB-CD2 4.26Å; D193-F195 HydrophobicContact CB-CE2 3.49Å; D193-F195 VanDerWaalsContact CB-CE2 3.49Å; D193-F195 HydrophobicContact CB-CZ 3.64Å; D193-G199 WeakPolarHBondContact O-CA 3.42Å; D193-Y200 HydrophobicContact CB-CD1 4.3Å; D193-Y200 HydrophobicContact CB-CE1 3.68Å; D193-Y200 PolarHBondContact N-O 2.97Å; D193-Y200 PolarHBondContact O-N 3.04Å; D193-R286 IonicContact OD1-CZ 3.72Å; D193-R286 IonicContact OD1-NH1 3.28Å; D193-R286 IonicContact OD1-NH2 3.93Å; D193-R286 PolarHBondContact OD1-NH2 3.44Å; D193-R286 IonicContact OD2-CZ 3.75Å; D193-R286 IonicContact OD2-NH1 3.42Å; D193-R286 PolarHBondContact OD2-NH1 3.24Å; D193-R286 IonicContact OD2-NH2 2.96Å; D193-R286 PolarHBondContact OD2-NH2 3.32Å
194	V	98.6	Very high	98.7	Very high	6 Å²	6	24.7 Å²	24.7	4%	0.036	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	136.1	173.6	170.3	0	0	0	0	109.1	L83 H198 V338 V342	L83-V194 HydrophobicContact CB-CG2 4.37Å; L83-V194 HydrophobicContact CD1-CG2 4.32Å; L83-V194 HydrophobicContact CD2-CG2 4.36Å; V194-H198 WeakPolarHBondContact CA-O 3.43Å; V194-V338 HydrophobicContact CB-CG1 4.35Å; V194-V338 HydrophobicContact CG1-CB 3.78Å; V194-V338 HydrophobicContact CG1-CG1 3.54Å; V194-V338 HydrophobicContact CG2-CG1 3.95Å; V194-V342 HydrophobicContact CG2-CB 4.05Å; V194-V342 HydrophobicContact CG2-CG1 4.34Å; V194-V342 HydrophobicContact CG2-CG2 4.08Å
195	F	98.3	Very high	98.7	Very high	8 Å²	8	18.7 Å²	18.7	4%	0.035	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	101.9	178.1	-55.6	-82.3	0	0	0	108.3	D193 Y197 H198 Y200 L282 D292 C331	D193-F195 HydrophobicContact CB-CD2 4.26Å; D193-F195 HydrophobicContact CB-CE2 3.49Å; D193-F195 VanDerWaalsContact CB-CE2 3.49Å; D193-F195 HydrophobicContact CB-CZ 3.64Å; F195-Y197 PolarHBondContact O-N 3Å; F195-H198 CarbonylContact C-O 3.47Å; F195-H198 PolarHBondContact N-O 3.39Å; F195-H198 PolarHBondContact O-N 3.48Å; F195-Y200 HydrophobicContact CE2-CD1 4.34Å; F195-Y200 HydrophobicContact CE2-CE1 4.12Å; F195-L282 HydrophobicContact CB-CD1 3.75Å; F195-L282 HydrophobicContact CD1-CD1 4.06Å; F195-L282 HydrophobicContact CD1-CD2 4.24Å; F195-L282 HydrophobicContact CD2-CD1 3.59Å; F195-L282 HydrophobicContact CE1-CB 4.3Å; F195-L282 HydrophobicContact CE2-CB 4.36Å; F195-L282 HydrophobicContact CE2-CD1 4.1Å; F195-L282 HydrophobicContact CG-CD1 3.55Å; F195-L282 HydrophobicContact CG-CD2 4.47Å; F195-L282 HydrophobicContact CG-CG 4.47Å; F195-L282 HydrophobicContact CZ-CB 4.2Å; F195-D292 HydrophobicContact CE1-CB 4.45Å; F195-C331 HydrophobicContact CB-CB 4.32Å; F195-C331 WeakPolarHBondContact CB-O 3.33Å; F195-C331 WeakPolarHBondContact O-CA 3.29Å
196	G	97.5	Very high	98.7	Very high	2 Å²	2	16.8 Å²	16.8	2%	0.021	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	56	-120.8	-173.9	0	0	0	0	0	112.3	H198 F332 S333 M335 V338	G196-H198 VanDerWaalsContact C-N 3.27Å; G196-F332 WeakPolarHBondContact CA-O 3.2Å; G196-F332 PolarHBondContact N-O 3.19Å; G196-S333 PolarHBondContact N-O 3.37Å; G196-M335 WeakPolarHBondContact O-CG 3.42Å; G196-V338 WeakPolarHBondContact O-CG2 3.46Å
197	Y	98.6	Very high	98.7	Very high	92 Å²	92	18.1 Å²	18.1	36%	0.361	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-7.2	178.1	-73.1	-89.6	0	0	0	113.5	F195 Y330 M335 G369 M370	F195-Y197 PolarHBondContact O-N 3Å; Y197-Y330 HydrophobicContact CD2-CD1 4.34Å; Y197-Y330 PolarHBondContact N-O 2.91Å; Y197-M335 HydrophobicContact CD1-SD 3.95Å; Y197-M335 HydrophobicContact CD2-SD 3.65Å; Y197-M335 HydrophobicContact CE1-CE 4.05Å; Y197-M335 HydrophobicContact CE1-SD 3.86Å; Y197-M335 HydrophobicContact CE2-CE 3.9Å; Y197-M335 HydrophobicContact CE2-SD 3.55Å; Y197-M335 VanDerWaalsContact CE2-SD 3.55Å; Y197-M335 HydrophobicContact CG-SD 3.85Å; Y197-G369 WeakPolarHBondContact O-CA 3.29Å; Y197-G369 PolarHBondContact O-N 2.98Å; Y197-M370 HydrophobicContact CD1-CG 4.11Å; Y197-M370 HydrophobicContact CD1-SD 3.59Å; Y197-M370 VanDerWaalsContact CD1-SD 3.59Å; Y197-M370 HydrophobicContact CD2-CG 4.25Å; Y197-M370 HydrophobicContact CD2-SD 3.73Å; Y197-M370 HydrophobicContact CE1-SD 3.77Å; Y197-M370 HydrophobicContact CE2-SD 3.9Å; Y197-M370 HydrophobicContact CG-CG 3.77Å; Y197-M370 HydrophobicContact CG-SD 3.56Å; Y197-M370 VanDerWaalsContact CG-SD 3.56Å
198	H	98.8	Very high	98.7	Very high	17 Å²	17	17.9 Å²	17.9	8%	0.079	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	155.1	-176.1	-59.3	80.8	0	0	0	111.1	V194 F195 G196 D275 L278 Y330 F367 D368	V194-H198 WeakPolarHBondContact CA-O 3.43Å; F195-H198 CarbonylContact C-O 3.47Å; F195-H198 PolarHBondContact N-O 3.39Å; F195-H198 PolarHBondContact O-N 3.48Å; G196-H198 VanDerWaalsContact C-N 3.27Å; H198-D275 IonicContact CD2-OD1 3.26Å; H198-D275 IonicContact CD2-OD2 2.67Å; H198-L278 HydrophobicContact CB-CD2 3.89Å; H198-Y330 PolarHBondContact ND1-O 3.22Å; H198-Y330 VanDerWaalsContact ND1-O 3.07Å; H198-F367 CarbonylContact C-O 3.56Å; H198-F367 VanDerWaalsContact CA-O 3.23Å; H198-F367 WeakPolarHBondContact CA-O 3.48Å; H198-D368 IonicContact NE2-OD1 3.84Å; H198-D368 IonicContact NE2-OD2 2.61Å
199	G	98.8	Very high	98.6	Very high	6 Å²	6	20.8 Å²	20.8	6%	0.062	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	165.1	165.2	0	0	0	0	0	111.6	D193 F367	D193-G199 WeakPolarHBondContact O-CA 3.42Å; G199-F367 PolarHBondContact N-O 3.33Å; G199-F367 PolarHBondContact O-N 3.39Å
200	Y	98.9	Very high	98.6	Very high	7 Å²	7	21 Å²	21	3%	0.027	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	158.3	-179.6	82.1	-79.9	0	0	0	111.3	T191 G192 D193 F195 F202 L279 F364 F365	T191-Y200 HydrophobicContact CG2-CE2 4.22Å; G192-Y200 WeakPolarHBondContact CA-O 3.36Å; D193-Y200 HydrophobicContact CB-CD1 4.3Å; D193-Y200 HydrophobicContact CB-CE1 3.68Å; D193-Y200 PolarHBondContact N-O 2.97Å; D193-Y200 PolarHBondContact O-N 3.04Å; F195-Y200 HydrophobicContact CE2-CD1 4.34Å; F195-Y200 HydrophobicContact CE2-CE1 4.12Å; Y200-F202 HydrophobicContact CE2-CB 4.49Å; Y200-L279 HydrophobicContact CD1-CD1 3.55Å; Y200-L279 HydrophobicContact CD1-CD2 4.34Å; Y200-L279 HydrophobicContact CD1-CG 4.49Å; Y200-L279 HydrophobicContact CD2-CD1 4.33Å; Y200-L279 HydrophobicContact CD2-CD2 3.78Å; Y200-L279 HydrophobicContact CE1-CD1 3.26Å; Y200-L279 HydrophobicContact CE1-CD2 4.45Å; Y200-L279 HydrophobicContact CE1-CG 4.47Å; Y200-L279 HydrophobicContact CE2-CD1 4.12Å; Y200-L279 HydrophobicContact CE2-CD2 3.93Å; Y200-L279 HydrophobicContact CG-CD1 4.08Å; Y200-L279 HydrophobicContact CG-CD2 4.01Å; Y200-F364 HydrophobicContact CD2-CD1 4.27Å; Y200-F364 HydrophobicContact CD2-CE1 4.19Å; Y200-F364 HydrophobicContact CE2-CE1 4.5Å; Y200-F365 CarbonylContact C-O 3.59Å; Y200-F365 WeakPolarHBondContact CA-O 3.48Å
201	T	98.9	Very high	98.4	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.031	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	151.8	162.6	81.1	0	0	0	0	109.7	T191 V342 L346 F364 F365	T191-T201 CarbonylContact O-C 3.55Å; T191-T201 WeakPolarHBondContact O-CA 3.32Å; T201-V342 HydrophobicContact CG2-CG1 3.7Å; T201-L346 HydrophobicContact CG2-CB 3.71Å; T201-L346 HydrophobicContact CG2-CD1 4.13Å; T201-L346 HydrophobicContact CG2-CD2 4.05Å; T201-L346 HydrophobicContact CG2-CG 4.18Å; T201-F364 CarbonylContact O-C 3.51Å; T201-F364 VanDerWaalsContact O-CA 3.3Å; T201-F364 WeakPolarHBondContact O-CA 3.38Å; T201-F364 WeakPolarHBondContact O-CD1 3.35Å; T201-F365 HydrophobicContact CG2-CD1 4.17Å; T201-F365 PolarHBondContact N-O 3.42Å; T201-F365 PolarHBondContact O-N 2.76Å; T201-F365 WeakPolarHBondContact OG1-CB 3.27Å
202	F	98.9	Very high	98.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	144.6	172.8	172.5	-92.3	0	0	0	109.5	F189 F190 T191 Y200 N204 V252 A255 N363 F364	F189-F202 HydrophobicContact CD1-CD1 4.16Å; F189-F202 HydrophobicContact CD1-CE1 4.01Å; F189-F202 HydrophobicContact CE1-CD1 4.02Å; F189-F202 HydrophobicContact CE1-CE1 4.13Å; F190-F202 VanDerWaalsContact CA-O 3.31Å; F190-F202 WeakPolarHBondContact CA-O 3.37Å; T191-F202 HydrophobicContact CG2-CB 3.75Å; T191-F202 HydrophobicContact CG2-CD1 4.04Å; T191-F202 HydrophobicContact CG2-CG 4.29Å; T191-F202 PolarHBondContact N-O 3.26Å; T191-F202 PolarHBondContact O-N 3.44Å; Y200-F202 HydrophobicContact CE2-CB 4.49Å; F202-N204 HydrophobicContact CE1-CB 3.71Å; F202-N204 HydrophobicContact CZ-CB 4.02Å; F202-V252 HydrophobicContact CD1-CB 4.13Å; F202-V252 HydrophobicContact CD1-CG2 3.79Å; F202-V252 HydrophobicContact CD2-CG2 4.38Å; F202-V252 HydrophobicContact CE1-CB 3.48Å; F202-V252 VanDerWaalsContact CE1-CB 3.48Å; F202-V252 HydrophobicContact CE1-CG2 3.64Å; F202-V252 HydrophobicContact CE2-CB 4.45Å; F202-V252 HydrophobicContact CE2-CG2 4.24Å; F202-V252 HydrophobicContact CG-CG2 4.16Å; F202-V252 VanDerWaalsContact CZ-CA 3.48Å; F202-V252 HydrophobicContact CZ-CB 3.67Å; F202-V252 HydrophobicContact CZ-CG2 3.88Å; F202-A255 HydrophobicContact CD2-CB 4.44Å; F202-A255 HydrophobicContact CE2-CB 3.6Å; F202-A255 HydrophobicContact CZ-CB 4.26Å; F202-N363 CarbonylContact C-O 3.55Å; F202-N363 VanDerWaalsContact CA-O 3.29Å; F202-N363 WeakPolarHBondContact CA-O 3.5Å; F202-N363 HydrophobicContact CD2-CB 4.35Å; F202-N363 HydrophobicContact CE2-CB 4.04Å; F202-F364 HydrophobicContact CB-CD1 3.91Å; F202-F364 HydrophobicContact CB-CE1 3.71Å; F202-F364 HydrophobicContact CB-CZ 4.4Å; F202-F364 AromaticContact CD2-CD1 3.97Å; F202-F364 HydrophobicContact CD2-CD1 3.97Å; F202-F364 HydrophobicContact CD2-CD2 4.01Å; F202-F364 AromaticContact CD2-CE1 3.63Å; F202-F364 HydrophobicContact CD2-CE1 3.63Å; F202-F364 AromaticContact CD2-CE2 3.71Å; F202-F364 HydrophobicContact CD2-CE2 3.71Å; F202-F364 HydrophobicContact CD2-CG 4.15Å; F202-F364 AromaticContact CD2-CZ 3.49Å; F202-F364 HydrophobicContact CD2-CZ 3.49Å; F202-F364 VanDerWaalsContact CD2-CZ 3.49Å; F202-F364 HydrophobicContact CE2-CE2 4.1Å; F202-F364 HydrophobicContact CE2-CZ 4.16Å; F202-F364 HydrophobicContact CG-CD1 4.44Å; F202-F364 HydrophobicContact CG-CE1 4.06Å; F202-F364 HydrophobicContact CG-CZ 4.26Å
203	A	98.9	Very high	97.7	Very high	5 Å²	5	27.8 Å²	27.8	4%	0.041	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.7	173.5	0	0	0	0	0	111.3	F189 F190 F249 N363	F189-A203 WeakPolarHBondContact O-CA 3.32Å; F190-A203 HydrophobicContact CD1-CB 3.78Å; F190-A203 HydrophobicContact CE1-CB 3.75Å; A203-F249 HydrophobicContact CB-CE1 4.12Å; A203-F249 WeakPolarHBondContact O-CD1 3.22Å; A203-N363 PolarHBondContact N-O 2.88Å; A203-N363 WeakPolarHBondContact O-CB 3.42Å
204	N	98.9	Very high	97.2	Very high	3 Å²	3	32 Å²	32	2%	0.016	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	108.6	163.1	176.6	13.3	0	0	0	109.2	D179 F189 F202 G206	D179-N204 WeakPolarHBondContact OD1-CB 3.36Å; D179-N204 PolarHBondContact OD1-ND2 2.95Å; F189-N204 HydrophobicContact CB-CB 4.31Å; F189-N204 HydrophobicContact CD1-CB 4.31Å; F189-N204 PolarHBondContact N-O 2.82Å; F189-N204 PolarHBondContact O-N 3.03Å; F202-N204 HydrophobicContact CE1-CB 3.71Å; F202-N204 HydrophobicContact CZ-CB 4.02Å; N204-G206 PolarHBondContact OD1-N 3.1Å
205	L	98.8	Very high	96.3	Very high	15 Å²	15	36 Å²	36	8%	0.079	18%	0.179	C	C	.	.			trans	-105.3	6.5	-178.9	-49.1	-176.5	0	0	0	112.6	K188 F190 E207 H208 F249 A353 P360	K188-L205 HydrophobicContact CB-CD2 3.88Å; K188-L205 HydrophobicContact CG-CD2 4.11Å; F190-L205 HydrophobicContact CE1-CD2 4Å; F190-L205 HydrophobicContact CE2-CD2 4Å; F190-L205 HydrophobicContact CZ-CD2 3.47Å; F190-L205 VanDerWaalsContact CZ-CD2 3.47Å; L205-E207 PolarHBondContact O-N 2.79Å; L205-H208 HydrophobicContact CB-CB 3.72Å; L205-H208 HydrophobicContact CD1-CB 4.26Å; L205-F249 HydrophobicContact CB-CD2 3.67Å; L205-F249 HydrophobicContact CB-CE2 3.85Å; L205-F249 HydrophobicContact CB-CG 4.16Å; L205-F249 HydrophobicContact CB-CZ 4.44Å; L205-F249 HydrophobicContact CD1-CD2 4.38Å; L205-F249 HydrophobicContact CD1-CE1 4.45Å; L205-F249 HydrophobicContact CD1-CE2 3.7Å; L205-F249 HydrophobicContact CD1-CZ 3.73Å; L205-F249 HydrophobicContact CG-CD1 4.5Å; L205-F249 HydrophobicContact CG-CD2 4.08Å; L205-F249 HydrophobicContact CG-CE1 4.26Å; L205-F249 HydrophobicContact CG-CE2 3.86Å; L205-F249 HydrophobicContact CG-CG 4.4Å; L205-F249 HydrophobicContact CG-CZ 3.95Å; L205-A353 HydrophobicContact CD1-CB 3.84Å; L205-A353 HydrophobicContact CD2-CB 3.89Å; L205-P360 HydrophobicContact CD1-CB 3.74Å; L205-P360 HydrophobicContact CD1-CG 3.71Å
206	G	98.1	Very high	95	Very high	13 Å²	13	40.5 Å²	40.5	13%	0.134	20%	0.199	C	C	.	.	S	Bend	trans	55.9	-132.9	-170.1	0	0	0	0	0	111.9	N204 H208 F249	N204-G206 PolarHBondContact OD1-N 3.1Å; G206-H208 PolarHBondContact O-N 3.37Å; G206-F249 PolarHBondContact O-N 2.75Å
207	E	98.1	Very high	93.2	Very high	140 Å²	140	46.7 Å²	46.7	65%	0.654	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	103.5	167.8	-66.4	-164.8	164.8	0	0	110.4	L205 K246 V248	L205-E207 PolarHBondContact O-N 2.79Å; E207-K246 IonicContact OE1-NZ 4Å; E207-K246 WeakPolarHBondContact OE2-CE 3.18Å; E207-K246 IonicContact OE2-NZ 3.59Å; E207-K246 PolarHBondContact OE2-NZ 3.45Å; E207-V248 HydrophobicContact CG-CG2 4.42Å
208	H	98.4	Very high	91.1	Very high	7 Å²	7	45.2 Å²	45.2	3%	0.032	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	121.7	-173.7	-170	64.4	0	0	0	112.7	L205 G206 F210 K246 V247 F249 A353	L205-H208 HydrophobicContact CB-CB 3.72Å; L205-H208 HydrophobicContact CD1-CB 4.26Å; G206-H208 PolarHBondContact O-N 3.37Å; H208-F210 AromaticContact CD2-CD1 3.9Å; H208-K246 CarbonylContact O-C 3.38Å; H208-K246 VanDerWaalsContact O-CA 3.31Å; H208-K246 WeakPolarHBondContact O-CA 2.93Å; H208-V247 PolarHBondContact N-O 2.99Å; H208-V247 PolarHBondContact O-N 3.24Å; H208-F249 HydrophobicContact CB-CD2 4.44Å; H208-F249 HydrophobicContact CB-CE2 4.3Å; H208-A353 PolarHBondContact CE1-O 3.12Å
209	E	98.1	Very high	88.8	Confident	104 Å²	104	53.9 Å²	53.9	49%	0.486	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	134.9	171.9	-63.6	-173	172.4	0	0	111.2	K245 K246 Q356	E209-K245 WeakPolarHBondContact CA-O 3.34Å; E209-K246 HydrophobicContact CG-CB 4.21Å; E209-K246 HydrophobicContact CG-CD 4.23Å; E209-K246 HydrophobicContact CG-CG 4.01Å; E209-Q356 PolarHBondContact O-NE2 3.33Å
210	F	97.8	Very high	86.3	Confident	6 Å²	6	59.9 Å²	59.9	3%	0.026	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	165	179.7	64.2	-84.9	0	0	0	111.8	H208 E212 K244 K245 V247 Q356 D358 P359	H208-F210 AromaticContact CD2-CD1 3.9Å; F210-E212 HydrophobicContact CD2-CB 4.43Å; F210-E212 HydrophobicContact CE2-CB 4.13Å; F210-K244 WeakPolarHBondContact O-CA 3.44Å; F210-K245 HydrophobicContact CD1-CB 4.46Å; F210-K245 HydrophobicContact CD2-CB 4.43Å; F210-K245 HydrophobicContact CE1-CB 3.91Å; F210-K245 HydrophobicContact CE2-CB 3.86Å; F210-K245 HydrophobicContact CE2-CD 3.97Å; F210-K245 HydrophobicContact CZ-CB 3.58Å; F210-K245 HydrophobicContact CZ-CD 3.9Å; F210-K245 HydrophobicContact CZ-CG 4.42Å; F210-K245 PolarHBondContact N-O 2.9Å; F210-K245 PolarHBondContact O-N 3.27Å; F210-V247 HydrophobicContact CE1-CB 4.32Å; F210-V247 HydrophobicContact CE1-CG2 3.73Å; F210-V247 HydrophobicContact CZ-CG2 4.27Å; F210-Q356 VanDerWaalsContact CA-O 3.32Å; F210-Q356 WeakPolarHBondContact CA-O 3.2Å; F210-Q356 WeakPolarHBondContact CB-O 3.3Å; F210-D358 VanDerWaalsContact CD2-C 3.49Å; F210-D358 WeakPolarHBondContact CD2-O 3.38Å; F210-P359 VanDerWaalsContact CE2-CA 3.43Å; F210-P359 HydrophobicContact CE2-CB 3.73Å; F210-P359 HydrophobicContact CE2-CG 4.42Å; F210-P359 HydrophobicContact CZ-CB 3.72Å
211	V	96.2	Very high	83.7	Confident	33 Å²	33	64.6 Å²	64.6	20%	0.2	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	135.9	170.4	-64.2	0	0	0	0	110.8	V243 K244 Q356 R357 D358	V211-V243 WeakPolarHBondContact CA-O 3.5Å; V211-K244 HydrophobicContact CG1-CG 4.02Å; V211-Q356 PolarHBondContact N-O 3.43Å; V211-R357 HydrophobicContact CG2-CB 4.38Å; V211-R357 HydrophobicContact CG2-CG 4.31Å; V211-R357 WeakPolarHBondContact O-CA 3.44Å; V211-D358 PolarHBondContact O-N 2.81Å
212	E	93.9	Very high	81	Confident	33 Å²	33	74 Å²	74	15%	0.154	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135.4	173.6	-176.5	-168	-117.3	0	0	108.8	F210 K214 V243 K245	F210-E212 HydrophobicContact CD2-CB 4.43Å; F210-E212 HydrophobicContact CE2-CB 4.13Å; E212-K214 WeakPolarHBondContact OE2-CE 3.47Å; E212-K214 IonicContact OE2-NZ 3.33Å; E212-V243 PolarHBondContact N-O 3.27Å; E212-V243 PolarHBondContact O-N 2.92Å; E212-K245 HydrophobicContact CB-CD 4.39Å; E212-K245 IonicContact OE1-NZ 3.45Å; E212-K245 PolarHBondContact OE1-NZ 2.63Å; E212-K245 WeakPolarHBondContact OE2-CE 3.44Å; E212-K245 IonicContact OE2-NZ 2.68Å; E212-K245 PolarHBondContact OE2-NZ 2.87Å
213	E	89.3	Confident	78.3	Confident	77 Å²	77	77 Å²	77	36%	0.36	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	120.6	175.9	-167.8	165.6	175	0	0	110	T240 M242 R357	E213-T240 HydrophobicContact CG-CG2 3.97Å; E213-T240 WeakPolarHBondContact OE1-CB 3.47Å; E213-T240 VanDerWaalsContact OE1-CG2 3.24Å; E213-T240 WeakPolarHBondContact OE1-CG2 3.29Å; E213-T240 PolarHBondContact OE1-OG1 2.8Å; E213-M242 HydrophobicContact CB-CE 4.22Å; E213-M242 HydrophobicContact CB-SD 3.98Å; E213-M242 HydrophobicContact CG-CE 4.02Å; E213-M242 HydrophobicContact CG-SD 4.25Å; E213-M242 WeakPolarHBondContact OE2-CE 3.42Å; E213-R357 IonicContact OE2-CZ 2.82Å; E213-R357 IonicContact OE2-NH2 2.81Å; E213-R357 PolarHBondContact OE2-NH2 3.07Å
214	K	86.9	Confident	75.6	Confident	92 Å²	92	83.9 Å²	83.9	40%	0.4	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.7	174.9	-69.7	-167.9	177.9	-176.2	0	110.5	E212 T240 T241 V243	E212-K214 WeakPolarHBondContact OE2-CE 3.47Å; E212-K214 IonicContact OE2-NZ 3.33Å; K214-T240 WeakPolarHBondContact O-CA 3.23Å; K214-T241 PolarHBondContact N-O 2.72Å; K214-T241 PolarHBondContact O-N 3.47Å; K214-V243 HydrophobicContact CB-CG2 4.44Å; K214-V243 HydrophobicContact CD-CG2 4.17Å; K214-V243 HydrophobicContact CG-CG2 4.35Å
215	T	80.2	Confident	73	Confident	91 Å²	91	92.7 Å²	92.7	56%	0.558	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	132.2	170.4	-41.6	0	0	0	0	109.4	V217	T215-V217 PolarHBondContact O-N 3.28Å
216	K	71.4	Confident	70.4	Confident	103 Å²	103	100.2 Å²	100.2	45%	0.448	55%	0.546	S	S	.	.			trans	-65.7	110.2	171.1	-70.8	-174.1	-172.7	172.1	0	108.8	A218 E239 T241	K216-A218 PolarHBondContact O-N 3.42Å; K216-E239 WeakPolarHBondContact CB-O 3.42Å; K216-E239 HydrophobicContact CD-CB 3.97Å; K216-E239 HydrophobicContact CG-CB 4.48Å; K216-E239 WeakPolarHBondContact CG-O 3.34Å; K216-E239 PolarHBondContact N-O 2.96Å; K216-E239 IonicContact NZ-OE2 3.48Å; K216-E239 PolarHBondContact NZ-OE2 3.07Å; K216-T241 HydrophobicContact CD-CG2 4.13Å; K216-T241 HydrophobicContact CG-CG2 3.86Å
217	V	59.2	Low	67.8	Low	131 Å²	131	102.7 Å²	102.7	79%	0.794	57%	0.572	S	S	*	*			trans	-75.1	111.1	167.3	-173.4	0	0	0	0	107.3	T215 K219	T215-V217 PolarHBondContact O-N 3.28Å; V217-K219 PolarHBondContact O-N 2.63Å
218	A	55.3	Low	65.4	Low	61 Å²	61	101.9 Å²	101.9	50%	0.504	58%	0.579	S	S	.	*			trans	-61.4	108.7	173	0	0	0	0	0	108.9	K216 V220 L235	K216-A218 PolarHBondContact O-N 3.42Å; A218-V220 PolarHBondContact O-N 3.48Å; A218-L235 HydrophobicContact CB-CD2 3.93Å
219	K	49.6	Very low	63.2	Low	200 Å²	200	109.4 Å²	109.4	87%	0.87	62%	0.619	S	S	*	*			trans	-67.4	106.2	165.3	-75.3	-174	178.7	-179.3	0	106.8	V217 S221	V217-K219 PolarHBondContact O-N 2.63Å; K219-S221 VanDerWaalsContact C-N 3.3Å; K219-S221 PolarHBondContact O-N 2.96Å
220	V	46.8	Very low	60.7	Low	132 Å²	132	110.8 Å²	110.8	80%	0.8	64%	0.635	S	S	*	*			trans	-66.6	97.6	165.1	-175.2	0	0	0	0	106.2	A218 Q222	A218-V220 PolarHBondContact O-N 3.48Å; V220-Q222 PolarHBondContact O-N 3.07Å
221	S	44	Very low	58.3	Low	106 Å²	106	120.7 Å²	120.7	74%	0.741	68%	0.678	S	S	*	*			trans	-63.2	113.4	166.7	44.6	0	0	0	0	107.8	K219 G223	K219-S221 VanDerWaalsContact C-N 3.3Å; K219-S221 PolarHBondContact O-N 2.96Å; S221-G223 PolarHBondContact O-N 2.91Å
222	Q	42.1	Very low	55.9	Low	201 Å²	201	130.6 Å²	130.6	94%	0.939	71%	0.712	S	S	*	*			trans	-66.5	87.2	164.8	-78.9	-179.6	-21.4	0	0	108	V220	V220-Q222 PolarHBondContact O-N 3.07Å
223	G	42.1	Very low	53.7	Low	65 Å²	65	133.2 Å²	133.2	67%	0.67	74%	0.739	S	S	*	*			trans	-104.3	131.2	168.2	0	0	0	0	0	108.9	S221	S221-G223 PolarHBondContact O-N 2.91Å
224	V	42.2	Very low	51.8	Low	149 Å²	149	139.5 Å²	139.5	90%	0.903	77%	0.765	S	S	*	*			trans	-48.5	132.5	-172.7	-173.2	0	0	0	0	113.2
225	E	45	Very low	50	Low	187 Å²	187	141.7 Å²	141.7	87%	0.874	78%	0.78	S	S	*	*			trans	-70.8	119.9	169.4	-94.6	-178.3	155.2	0	0	110.6
226	D	44.3	Very low	48.5	Very low	173 Å²	173	142.9 Å²	142.9	93%	0.925	78%	0.784	S	S	*	*			trans	-159.4	114.3	141.9	-144.7	-6.1	0	0	0	110.7
227	G	43.9	Very low	47.6	Very low	65 Å²	65	143 Å²	143	67%	0.67	80%	0.797	S	S	*	*	S	Bend	trans	141.8	140.4	170.8	0	0	0	0	0	116.2
228	P	47.5	Very low	47.7	Very low	123 Å²	123	140.2 Å²	140.2	80%	0.799	78%	0.783	S	S	*	*			trans	-83.2	139.9	-167.8	33.2	-33.1	0	0	0	114.1
229	D	51.6	Low	48.6	Very low	166 Å²	166	142.6 Å²	142.6	89%	0.888	78%	0.784	S	S	*	*			trans	35.4	84	160	-71.2	-46.7	0	0	0	118.8
230	T	44.6	Very low	50.2	Low	133 Å²	133	136.1 Å²	136.1	82%	0.816	76%	0.761	S	S	*	*			trans	-114.3	124.7	147.3	38.1	0	0	0	0	109.4	R232	T230-R232 PolarHBondContact O-N 3.26Å
231	K	47.7	Very low	52.2	Low	213 Å²	213	132.5 Å²	132.5	93%	0.926	74%	0.74	S	S	*	*			trans	-42.6	111.8	177.1	-81	175.8	174.7	174.2	0	109.9	A233	K231-A233 PolarHBondContact O-N 3.44Å
232	R	46.4	Very low	54.4	Low	242 Å²	242	132.3 Å²	132.3	91%	0.913	73%	0.729	S	S	*	*			trans	-52.2	108.8	166.8	-87.7	-178.5	173	173.9	-0	107.6	T230 K234	T230-R232 PolarHBondContact O-N 3.26Å; R232-K234 PolarHBondContact O-N 3.02Å; R232-K234 VanDerWaalsContact O-N 3.07Å
233	A	47.7	Very low	56.9	Low	87 Å²	87	125.2 Å²	125.2	72%	0.719	70%	0.699	S	S	*	*			trans	-55	118	165.8	0	0	0	0	0	106.5	K231 L235	K231-A233 PolarHBondContact O-N 3.44Å; A233-L235 VanDerWaalsContact C-N 3.26Å; A233-L235 PolarHBondContact O-N 3.39Å
234	K	49.8	Very low	59.5	Low	210 Å²	210	130.3 Å²	130.3	91%	0.913	70%	0.702	S	S	*	*			trans	-65.8	94.2	175.3	-152	-178.8	-172.5	-174.5	0	105.3	R232 D236	R232-K234 PolarHBondContact O-N 3.02Å; R232-K234 VanDerWaalsContact O-N 3.07Å; K234-D236 PolarHBondContact O-N 3.5Å; K234-D236 VanDerWaalsContact O-N 3.1Å
235	L	49	Very low	62.1	Low	137 Å²	137	126.7 Å²	126.7	72%	0.717	67%	0.674	S	S	*	*			trans	-60.7	115.7	178.2	-143	90.1	0	0	0	106.2	A218 A233 S237	A218-L235 HydrophobicContact CB-CD2 3.93Å; A233-L235 VanDerWaalsContact C-N 3.26Å; A233-L235 PolarHBondContact O-N 3.39Å; L235-S237 PolarHBondContact O-N 3.08Å; L235-S237 VanDerWaalsContact O-N 3.08Å
236	D	49.3	Very low	64.6	Low	117 Å²	117	122.5 Å²	122.5	63%	0.626	65%	0.654	S	S	*	*			trans	-67.4	109.7	-179.7	-159.2	-22.1	0	0	0	107.5	K234 S238	K234-D236 PolarHBondContact O-N 3.5Å; K234-D236 VanDerWaalsContact O-N 3.1Å; D236-S238 PolarHBondContact O-N 2.68Å; D236-S238 WeakPolarHBondContact OD1-CB 3.24Å; D236-S238 PolarHBondContact OD1-OG 3.1Å; D236-S238 PolarHBondContact OD2-OG 2.84Å
237	S	52.5	Low	67.2	Low	104 Å²	104	116.2 Å²	116.2	73%	0.727	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	18.4	-176.3	60.9	0	0	0	0	113	L235	L235-S237 PolarHBondContact O-N 3.08Å; L235-S237 VanDerWaalsContact O-N 3.08Å
238	S	59.5	Low	69.8	Low	73 Å²	73	117.2 Å²	117.2	51%	0.51	61%	0.614	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.9	-3.6	-174.8	63.1	0	0	0	0	114.1	D236 T240	D236-S238 PolarHBondContact O-N 2.68Å; D236-S238 WeakPolarHBondContact OD1-CB 3.24Å; D236-S238 PolarHBondContact OD1-OG 3.1Å; D236-S238 PolarHBondContact OD2-OG 2.84Å; S238-T240 PolarHBondContact O-N 2.99Å
239	E	75.9	Confident	72.2	Confident	111 Å²	111	111.9 Å²	111.9	52%	0.519	58%	0.578	S	S	.	*			trans	-66.4	119.9	176.2	-74.8	-170.3	-179.9	0	0	111.4	K216	K216-E239 WeakPolarHBondContact CB-O 3.42Å; K216-E239 HydrophobicContact CD-CB 3.97Å; K216-E239 HydrophobicContact CG-CB 4.48Å; K216-E239 WeakPolarHBondContact CG-O 3.34Å; K216-E239 PolarHBondContact N-O 2.96Å; K216-E239 IonicContact NZ-OE2 3.48Å; K216-E239 PolarHBondContact NZ-OE2 3.07Å
240	T	82.4	Confident	74.4	Confident	64 Å²	64	104.3 Å²	104.3	39%	0.393	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	152.3	173.9	60.4	0	0	0	0	111.5	E213 K214 S238	E213-T240 HydrophobicContact CG-CG2 3.97Å; E213-T240 WeakPolarHBondContact OE1-CB 3.47Å; E213-T240 VanDerWaalsContact OE1-CG2 3.24Å; E213-T240 WeakPolarHBondContact OE1-CG2 3.29Å; E213-T240 PolarHBondContact OE1-OG1 2.8Å; K214-T240 WeakPolarHBondContact O-CA 3.23Å; S238-T240 PolarHBondContact O-N 2.99Å
241	T	88.6	Confident	77	Confident	57 Å²	57	99.5 Å²	99.5	35%	0.35	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.2	171.5	55.1	0	0	0	0	110.5	K214 K216	K214-T241 PolarHBondContact N-O 2.72Å; K214-T241 PolarHBondContact O-N 3.47Å; K216-T241 HydrophobicContact CD-CG2 4.13Å; K216-T241 HydrophobicContact CG-CG2 3.86Å
242	M	89.8	Confident	79.4	Confident	102 Å²	102	89.5 Å²	89.5	50%	0.502	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	122.5	172.5	-62	-66.1	170.1	0	0	109	E213 R357	E213-M242 HydrophobicContact CB-CE 4.22Å; E213-M242 HydrophobicContact CB-SD 3.98Å; E213-M242 HydrophobicContact CG-CE 4.02Å; E213-M242 HydrophobicContact CG-SD 4.25Å; E213-M242 WeakPolarHBondContact OE2-CE 3.42Å; M242-R357 VanDerWaalsContact CE-NH1 3.34Å
243	V	95.1	Very high	81.9	Confident	52 Å²	52	82 Å²	82	32%	0.315	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.3	177.5	-177.3	0	0	0	0	109	V211 E212 K214	V211-V243 WeakPolarHBondContact CA-O 3.5Å; E212-V243 PolarHBondContact N-O 3.27Å; E212-V243 PolarHBondContact O-N 2.92Å; K214-V243 HydrophobicContact CB-CG2 4.44Å; K214-V243 HydrophobicContact CD-CG2 4.17Å; K214-V243 HydrophobicContact CG-CG2 4.35Å
244	K	96.4	Very high	84.3	Confident	171 Å²	171	82.8 Å²	82.8	74%	0.743	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	132.4	171.3	-71	-174.5	179.9	-173.6	0	110	F210 V211	F210-K244 WeakPolarHBondContact O-CA 3.44Å; V211-K244 HydrophobicContact CG1-CG 4.02Å
245	K	97.7	Very high	86.6	Confident	73 Å²	73	72.8 Å²	72.8	32%	0.317	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	158.7	175.1	-77.1	-179.4	165.7	-178.2	0	109.7	E209 F210 E212	E209-K245 WeakPolarHBondContact CA-O 3.34Å; F210-K245 HydrophobicContact CD1-CB 4.46Å; F210-K245 HydrophobicContact CD2-CB 4.43Å; F210-K245 HydrophobicContact CE1-CB 3.91Å; F210-K245 HydrophobicContact CE2-CB 3.86Å; F210-K245 HydrophobicContact CE2-CD 3.97Å; F210-K245 HydrophobicContact CZ-CB 3.58Å; F210-K245 HydrophobicContact CZ-CD 3.9Å; F210-K245 HydrophobicContact CZ-CG 4.42Å; F210-K245 PolarHBondContact N-O 2.9Å; F210-K245 PolarHBondContact O-N 3.27Å; E212-K245 HydrophobicContact CB-CD 4.39Å; E212-K245 IonicContact OE1-NZ 3.45Å; E212-K245 PolarHBondContact OE1-NZ 2.63Å; E212-K245 WeakPolarHBondContact OE2-CE 3.44Å; E212-K245 IonicContact OE2-NZ 2.68Å; E212-K245 PolarHBondContact OE2-NZ 2.87Å
246	K	97.8	Very high	88.9	Confident	100 Å²	100	66.6 Å²	66.6	44%	0.435	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.8	175.7	-172.5	174.6	-179.3	174.8	0	109.6	E207 H208 E209	E207-K246 IonicContact OE1-NZ 4Å; E207-K246 WeakPolarHBondContact OE2-CE 3.18Å; E207-K246 IonicContact OE2-NZ 3.59Å; E207-K246 PolarHBondContact OE2-NZ 3.45Å; H208-K246 CarbonylContact O-C 3.38Å; H208-K246 VanDerWaalsContact O-CA 3.31Å; H208-K246 WeakPolarHBondContact O-CA 2.93Å; E209-K246 HydrophobicContact CG-CB 4.21Å; E209-K246 HydrophobicContact CG-CD 4.23Å; E209-K246 HydrophobicContact CG-CG 4.01Å
247	V	97.8	Very high	91.2	Very high	40 Å²	40	65.1 Å²	65.1	24%	0.242	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143	173.5	171.6	0	0	0	0	108	H208 F210 F249 N362	H208-V247 PolarHBondContact N-O 2.99Å; H208-V247 PolarHBondContact O-N 3.24Å; F210-V247 HydrophobicContact CE1-CB 4.32Å; F210-V247 HydrophobicContact CE1-CG2 3.73Å; F210-V247 HydrophobicContact CZ-CG2 4.27Å; V247-F249 HydrophobicContact CB-CE2 4.31Å; V247-F249 HydrophobicContact CG1-CD2 4.12Å; V247-F249 HydrophobicContact CG1-CE2 3.66Å; V247-F249 HydrophobicContact CG1-CZ 4.31Å; V247-N362 HydrophobicContact CG1-CB 4.35Å; V247-N362 WeakPolarHBondContact CG1-ND2 3.36Å
248	V	98.1	Very high	93.3	Very high	86 Å²	86	61.4 Å²	61.4	52%	0.521	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132.9	178.4	-176.5	0	0	0	0	108.8	E207 N362	E207-V248 HydrophobicContact CG-CG2 4.42Å; V248-N362 PolarHBondContact O-ND2 2.91Å
249	F	98.6	Very high	94.9	Very high	11 Å²	11	62 Å²	62	5%	0.048	31%	0.313	C	S	.	.			trans	-106.5	154.3	175.4	-72.2	-103.4	0	0	0	110.3	A203 L205 G206 H208 V247 P360 H361 N362 N363	A203-F249 HydrophobicContact CB-CE1 4.12Å; A203-F249 WeakPolarHBondContact O-CD1 3.22Å; L205-F249 HydrophobicContact CB-CD2 3.67Å; L205-F249 HydrophobicContact CB-CE2 3.85Å; L205-F249 HydrophobicContact CB-CG 4.16Å; L205-F249 HydrophobicContact CB-CZ 4.44Å; L205-F249 HydrophobicContact CD1-CD2 4.38Å; L205-F249 HydrophobicContact CD1-CE1 4.45Å; L205-F249 HydrophobicContact CD1-CE2 3.7Å; L205-F249 HydrophobicContact CD1-CZ 3.73Å; L205-F249 HydrophobicContact CG-CD1 4.5Å; L205-F249 HydrophobicContact CG-CD2 4.08Å; L205-F249 HydrophobicContact CG-CE1 4.26Å; L205-F249 HydrophobicContact CG-CE2 3.86Å; L205-F249 HydrophobicContact CG-CG 4.4Å; L205-F249 HydrophobicContact CG-CZ 3.95Å; G206-F249 PolarHBondContact O-N 2.75Å; H208-F249 HydrophobicContact CB-CD2 4.44Å; H208-F249 HydrophobicContact CB-CE2 4.3Å; V247-F249 HydrophobicContact CB-CE2 4.31Å; V247-F249 HydrophobicContact CG1-CD2 4.12Å; V247-F249 HydrophobicContact CG1-CE2 3.66Å; V247-F249 HydrophobicContact CG1-CZ 4.31Å; F249-P360 HydrophobicContact CE2-CG 3.96Å; F249-P360 HydrophobicContact CZ-CB 4.04Å; F249-P360 HydrophobicContact CZ-CG 3.74Å; F249-H361 WeakPolarHBondContact CE1-O 3.41Å; F249-N362 HydrophobicContact CE1-CB 3.89Å; F249-N362 HydrophobicContact CZ-CB 3.97Å; F249-N363 HydrophobicContact CD1-CB 3.94Å; F249-N363 HydrophobicContact CE1-CB 4.2Å
250	C	98.3	Very high	95.8	Very high	7 Å²	7	57.3 Å²	57.3	5%	0.047	29%	0.29	C	S	.	.			trans	-102	160.7	173.7	69.8	0	0	0	0	111.8	N363 P381	C250-N363 PolarHBondContact SG-ND2 3.3Å; C250-P381 HydrophobicContact CB-CG 3.95Å; C250-P381 VanDerWaalsContact SG-CD 3.55Å
251	P	98.6	Very high	96.2	Very high	33 Å²	33	58 Å²	58	21%	0.214	30%	0.298	C	S	.	.			trans	-55.7	148.1	169.3	-24.1	34.4	0	0	0	113	D179 K253 E254 A255	D179-P251 WeakPolarHBondContact OD2-CA 3.38Å; P251-K253 PolarHBondContact O-N 3.17Å; P251-E254 HydrophobicContact CB-CG 4.43Å; P251-E254 HydrophobicContact CG-CG 4.47Å; P251-E254 PolarHBondContact O-N 2.76Å; P251-A255 PolarHBondContact O-N 3.4Å
252	V	98.6	Very high	96.3	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.012	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-31.3	178	73.8	0	0	0	0	112	I175 V176 D179 F189 F202 E254 A255 L256	I175-V252 HydrophobicContact CG2-CB 4.41Å; I175-V252 HydrophobicContact CG2-CG1 3.88Å; I175-V252 HydrophobicContact CG2-CG2 3.78Å; V176-V252 HydrophobicContact CB-CG1 4.43Å; V176-V252 HydrophobicContact CG2-CG1 3.97Å; D179-V252 HydrophobicContact CB-CB 4.25Å; D179-V252 HydrophobicContact CB-CG1 3.51Å; D179-V252 WeakPolarHBondContact OD2-CG1 3.39Å; D179-V252 PolarHBondContact OD2-N 3Å; F189-V252 HydrophobicContact CE1-CB 4.48Å; F202-V252 HydrophobicContact CD1-CB 4.13Å; F202-V252 HydrophobicContact CD1-CG2 3.79Å; F202-V252 HydrophobicContact CD2-CG2 4.38Å; F202-V252 HydrophobicContact CE1-CB 3.48Å; F202-V252 VanDerWaalsContact CE1-CB 3.48Å; F202-V252 HydrophobicContact CE1-CG2 3.64Å; F202-V252 HydrophobicContact CE2-CB 4.45Å; F202-V252 HydrophobicContact CE2-CG2 4.24Å; F202-V252 HydrophobicContact CG-CG2 4.16Å; F202-V252 VanDerWaalsContact CZ-CA 3.48Å; F202-V252 HydrophobicContact CZ-CB 3.67Å; F202-V252 HydrophobicContact CZ-CG2 3.88Å; V252-E254 PolarHBondContact O-N 3.43Å; V252-A255 PolarHBondContact O-N 3.33Å; V252-L256 HydrophobicContact CG2-CD1 4.01Å; V252-L256 HydrophobicContact CG2-CG 4.23Å; V252-L256 WeakPolarHBondContact O-CB 3.34Å; V252-L256 WeakPolarHBondContact O-CG 3.29Å; V252-L256 PolarHBondContact O-N 3.18Å
253	K	98.4	Very high	96.3	Very high	85 Å²	85	59.3 Å²	59.3	37%	0.37	30%	0.303	S	S	.	.	H	α-helix	trans	-59.1	-47	175.9	-177.7	174.7	173.4	60	0	111.5	V176 P251 A255 L256 E257	V176-K253 HydrophobicContact CG1-CB 4.09Å; V176-K253 HydrophobicContact CG1-CD 4.31Å; V176-K253 HydrophobicContact CG2-CB 4.29Å; P251-K253 PolarHBondContact O-N 3.17Å; K253-A255 VanDerWaalsContact C-N 3.32Å; K253-L256 PolarHBondContact O-N 3.47Å; K253-E257 WeakPolarHBondContact CE-OE2 3.42Å; K253-E257 IonicContact NZ-OE1 2.76Å; K253-E257 PolarHBondContact NZ-OE1 3.34Å; K253-E257 IonicContact NZ-OE2 3.96Å; K253-E257 PolarHBondContact NZ-OE2 3.18Å; K253-E257 VanDerWaalsContact O-CB 3.29Å; K253-E257 WeakPolarHBondContact O-CB 3.32Å; K253-E257 WeakPolarHBondContact O-CG 3.28Å; K253-E257 PolarHBondContact O-N 2.77Å
254	E	97.9	Very high	96.1	Very high	104 Å²	104	63.5 Å²	63.5	49%	0.486	32%	0.317	S	S	.	.	H	α-helix	trans	-66.2	-38.3	177.8	-64.5	178.3	-166.8	0	0	111.1	P251 V252 L256 E257	P251-E254 HydrophobicContact CB-CG 4.43Å; P251-E254 HydrophobicContact CG-CG 4.47Å; P251-E254 PolarHBondContact O-N 2.76Å; V252-E254 PolarHBondContact O-N 3.43Å; E254-L256 VanDerWaalsContact C-N 3.32Å; E254-L256 PolarHBondContact O-N 3.02Å; E254-E257 PolarHBondContact O-N 2.76Å
255	A	98.2	Very high	95.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-67.7	-29	179.5	0	0	0	0	0	113.4	F202 P251 V252 K253 Y276 F364 L379	F202-A255 HydrophobicContact CD2-CB 4.44Å; F202-A255 HydrophobicContact CE2-CB 3.6Å; F202-A255 HydrophobicContact CZ-CB 4.26Å; P251-A255 PolarHBondContact O-N 3.4Å; V252-A255 PolarHBondContact O-N 3.33Å; K253-A255 VanDerWaalsContact C-N 3.32Å; A255-Y276 WeakPolarHBondContact O-CE2 3.35Å; A255-Y276 PolarHBondContact O-OH 3.18Å; A255-F364 HydrophobicContact CB-CE2 3.68Å; A255-F364 HydrophobicContact CB-CZ 4.22Å; A255-L379 WeakPolarHBondContact CB-O 3.3Å
256	L	98.1	Very high	95.4	Very high	7 Å²	7	57.3 Å²	57.3	4%	0.037	29%	0.292	C	S	.	.	H	α-helix	trans	-91.1	-16.1	176.1	-67.6	174.6	0	0	0	113.7	R172 V252 K253 E254 Y276 L279 Q280 L283 F364	R172-L256 HydrophobicContact CG-CD1 4.26Å; V252-L256 HydrophobicContact CG2-CD1 4.01Å; V252-L256 HydrophobicContact CG2-CG 4.23Å; V252-L256 WeakPolarHBondContact O-CB 3.34Å; V252-L256 WeakPolarHBondContact O-CG 3.29Å; V252-L256 PolarHBondContact O-N 3.18Å; K253-L256 PolarHBondContact O-N 3.47Å; E254-L256 VanDerWaalsContact C-N 3.32Å; E254-L256 PolarHBondContact O-N 3.02Å; L256-Y276 PolarHBondContact O-OH 3.26Å; L256-L279 HydrophobicContact CD2-CD2 4.26Å; L256-Q280 PolarHBondContact O-NE2 2.78Å; L256-L283 HydrophobicContact CD1-CD1 4.19Å; L256-L283 HydrophobicContact CD2-CD1 3.98Å; L256-F364 HydrophobicContact CD2-CZ 4.12Å
257	E	96.8	Very high	95.1	Very high	86 Å²	86	55.6 Å²	55.6	40%	0.402	30%	0.296	S	S	.	.	S	Bend	trans	-115.4	40.8	-175.3	-64.6	172.3	-171.1	0	0	111.3	R172 K253 E254 D259	R172-E257 IonicContact CZ-OE1 3.83Å; R172-E257 IonicContact NH2-OE1 2.78Å; R172-E257 PolarHBondContact NH2-OE1 3.45Å; K253-E257 WeakPolarHBondContact CE-OE2 3.42Å; K253-E257 IonicContact NZ-OE1 2.76Å; K253-E257 PolarHBondContact NZ-OE1 3.34Å; K253-E257 IonicContact NZ-OE2 3.96Å; K253-E257 PolarHBondContact NZ-OE2 3.18Å; K253-E257 VanDerWaalsContact O-CB 3.29Å; K253-E257 WeakPolarHBondContact O-CB 3.32Å; K253-E257 WeakPolarHBondContact O-CG 3.28Å; K253-E257 PolarHBondContact O-N 2.77Å; E254-E257 PolarHBondContact O-N 2.76Å; E257-D259 PolarHBondContact O-N 3.27Å
258	V	96.1	Very high	94.9	Very high	25 Å²	25	55.5 Å²	55.5	15%	0.152	30%	0.3	C	S	.	.			trans	-61.4	129.7	178.9	179.8	0	0	0	0	111.2	W260 L379	V258-W260 HydrophobicContact CB-CZ2 4.16Å; V258-W260 HydrophobicContact CG1-CD2 4.11Å; V258-W260 HydrophobicContact CG1-CE3 4.49Å; V258-W260 HydrophobicContact CG1-CH2 4.35Å; V258-W260 HydrophobicContact CG1-CZ2 3.93Å; V258-W260 PolarHBondContact O-N 2.97Å; V258-W260 PolarHBondContact O-NE1 2.93Å; V258-L379 HydrophobicContact CG2-CB 4.22Å
259	D	94.2	Very high	94.7	Very high	87 Å²	87	52.9 Å²	52.9	47%	0.465	28%	0.283	S	S	.	.			trans	-82.2	103.9	173.2	175.3	15.7	0	0	0	111.6	E257 S261 A265	E257-D259 PolarHBondContact O-N 3.27Å; D259-S261 VanDerWaalsContact C-N 3.3Å; D259-S261 VanDerWaalsContact CG-OG 3.28Å; D259-S261 PolarHBondContact O-N 2.85Å; D259-S261 WeakPolarHBondContact OD1-CB 3.41Å; D259-S261 PolarHBondContact OD1-N 3Å; D259-S261 PolarHBondContact OD1-OG 3.09Å; D259-S261 PolarHBondContact OD2-OG 3.48Å; D259-A265 WeakPolarHBondContact O-CB 3.28Å
260	W	95	Very high	94.4	Very high	12 Å²	12	61.4 Å²	61.4	5%	0.045	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-0.9	179.2	-60.7	102.2	0	0	0	114.4	V258 S262 A265 K266 L269 T272 Y276 F277 I318 L379	V258-W260 HydrophobicContact CB-CZ2 4.16Å; V258-W260 HydrophobicContact CG1-CD2 4.11Å; V258-W260 HydrophobicContact CG1-CE3 4.49Å; V258-W260 HydrophobicContact CG1-CH2 4.35Å; V258-W260 HydrophobicContact CG1-CZ2 3.93Å; V258-W260 PolarHBondContact O-N 2.97Å; V258-W260 PolarHBondContact O-NE1 2.93Å; W260-S262 VanDerWaalsContact C-N 3.33Å; W260-A265 HydrophobicContact CE3-CB 4.01Å; W260-K266 WeakPolarHBondContact O-CG 3.3Å; W260-L269 HydrophobicContact CD2-CD1 4.23Å; W260-L269 HydrophobicContact CE3-CB 3.8Å; W260-L269 HydrophobicContact CE3-CD1 3.8Å; W260-L269 HydrophobicContact CE3-CG 4.24Å; W260-L269 HydrophobicContact CH2-CD1 4.13Å; W260-L269 HydrophobicContact CZ3-CB 3.72Å; W260-L269 HydrophobicContact CZ3-CD1 3.75Å; W260-L269 HydrophobicContact CZ3-CG 4.33Å; W260-T272 HydrophobicContact CH2-CG2 4.12Å; W260-Y276 HydrophobicContact CZ2-CD1 4.08Å; W260-Y276 AromaticContact CZ2-CE1 3.73Å; W260-Y276 HydrophobicContact CZ2-CE1 3.73Å; W260-F277 AromaticContact CE2-CZ 3.91Å; W260-F277 HydrophobicContact CH2-CZ 4.21Å; W260-F277 HydrophobicContact CZ2-CE1 4.15Å; W260-F277 AromaticContact CZ2-CZ 3.71Å; W260-F277 HydrophobicContact CZ2-CZ 3.71Å; W260-F277 AromaticContact NE1-CE1 3.93Å; W260-I318 HydrophobicContact CB-CD1 4.11Å; W260-I318 HydrophobicContact CB-CG1 4.37Å; W260-I318 HydrophobicContact CD2-CD1 4.12Å; W260-I318 HydrophobicContact CG-CD1 3.7Å; W260-I318 HydrophobicContact CG-CG1 4.47Å; W260-L379 HydrophobicContact CH2-CD2 4.11Å
261	S	91.3	Very high	94.3	Very high	79 Å²	79	71 Å²	71	55%	0.552	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-25.8	179.4	74.2	0	0	0	0	113	D259 K266	D259-S261 VanDerWaalsContact C-N 3.3Å; D259-S261 VanDerWaalsContact CG-OG 3.28Å; D259-S261 PolarHBondContact O-N 2.85Å; D259-S261 WeakPolarHBondContact OD1-CB 3.41Å; D259-S261 PolarHBondContact OD1-N 3Å; D259-S261 PolarHBondContact OD1-OG 3.09Å; D259-S261 PolarHBondContact OD2-OG 3.48Å; S261-K266 VanDerWaalsContact O-CE 3.29Å; S261-K266 WeakPolarHBondContact O-CE 3.46Å
262	S	90.6	Very high	94.2	Very high	37 Å²	37	70.2 Å²	70.2	26%	0.259	35%	0.349	S	S	.	.	S	Bend	trans	-70.8	146.8	-177.9	82.4	0	0	0	0	112.8	W260 K264 A265 K266	W260-S262 VanDerWaalsContact C-N 3.33Å; S262-K264 VanDerWaalsContact C-N 3.26Å; S262-K264 PolarHBondContact O-N 3.3Å; S262-A265 PolarHBondContact O-N 3.47Å; S262-A265 VanDerWaalsContact O-N 3.07Å; S262-A265 VanDerWaalsContact OG-CB 3.24Å; S262-A265 WeakPolarHBondContact OG-CB 3.42Å; S262-A265 PolarHBondContact OG-N 2.9Å; S262-K266 WeakPolarHBondContact O-CG 3.32Å; S262-K266 PolarHBondContact O-N 3.49Å
263	E	89.4	Confident	94.2	Very high	148 Å²	148	70.9 Å²	70.9	69%	0.692	35%	0.354	S	S	*	.	H	α-helix	trans	-59.4	-37.8	-179.3	-164.3	59.8	-149.1	0	0	112.5	K266 A267	E263-K266 PolarHBondContact O-N 3.38Å; E263-A267 PolarHBondContact O-N 3.4Å
264	K	89.3	Confident	94.2	Very high	140 Å²	140	68.3 Å²	68.3	61%	0.609	35%	0.347	S	S	*	.	H	α-helix	trans	-63.9	-43.5	175.8	-174.3	176.5	-179.5	176.2	0	111.5	S262 A267 A268 K382	S262-K264 VanDerWaalsContact C-N 3.26Å; S262-K264 PolarHBondContact O-N 3.3Å; K264-A267 PolarHBondContact O-N 2.87Å; K264-A268 PolarHBondContact O-N 3.09Å; K264-K382 WeakPolarHBondContact CE-OXT 3.32Å; K264-K382 PolarHBondContact NZ-OXT 3.44Å
265	A	90.4	Very high	94.2	Very high	12 Å²	12	63.8 Å²	63.8	10%	0.099	33%	0.326	C	S	.	.	H	α-helix	trans	-68	-39.8	178.3	0	0	0	0	0	111.6	D259 W260 S262 A267 A268 L269	D259-A265 WeakPolarHBondContact O-CB 3.28Å; W260-A265 HydrophobicContact CE3-CB 4.01Å; S262-A265 PolarHBondContact O-N 3.47Å; S262-A265 VanDerWaalsContact O-N 3.07Å; S262-A265 VanDerWaalsContact OG-CB 3.24Å; S262-A265 WeakPolarHBondContact OG-CB 3.42Å; S262-A265 PolarHBondContact OG-N 2.9Å; A265-A267 VanDerWaalsContact C-N 3.31Å; A265-A267 PolarHBondContact O-N 2.95Å; A265-A268 CarbonylContact O-C 3.49Å; A265-A268 PolarHBondContact O-N 3.43Å; A265-A268 VanDerWaalsContact O-N 3.14Å; A265-L269 WeakPolarHBondContact O-CB 3.4Å; A265-L269 PolarHBondContact O-N 3.36Å
266	K	90.8	Very high	94.3	Very high	103 Å²	103	63.9 Å²	63.9	45%	0.448	33%	0.326	S	S	.	.	H	α-helix	trans	-60.5	-38.3	173.8	-70.6	179.1	-179.7	172.1	0	113	W260 S261 S262 E263	W260-K266 WeakPolarHBondContact O-CG 3.3Å; S261-K266 VanDerWaalsContact O-CE 3.29Å; S261-K266 WeakPolarHBondContact O-CE 3.46Å; S262-K266 WeakPolarHBondContact O-CG 3.32Å; S262-K266 PolarHBondContact O-N 3.49Å; E263-K266 PolarHBondContact O-N 3.38Å
267	A	91.3	Very high	94.3	Very high	63 Å²	63	63.5 Å²	63.5	52%	0.521	32%	0.324	S	S	.	.	H	α-helix	trans	-67.9	-40.4	174.3	0	0	0	0	0	111.8	E263 K264 A265	E263-A267 PolarHBondContact O-N 3.4Å; K264-A267 PolarHBondContact O-N 2.87Å; A265-A267 VanDerWaalsContact C-N 3.31Å; A265-A267 PolarHBondContact O-N 2.95Å
268	A	92.7	Very high	94.4	Very high	39 Å²	39	59.7 Å²	59.7	32%	0.322	31%	0.306	S	S	.	.	H	α-helix	trans	-67.7	-38.5	176.8	0	0	0	0	0	112.5	K264 A265 K270 R271 T272	K264-A268 PolarHBondContact O-N 3.09Å; A265-A268 CarbonylContact O-C 3.49Å; A265-A268 PolarHBondContact O-N 3.43Å; A265-A268 VanDerWaalsContact O-N 3.14Å; A268-K270 PolarHBondContact O-N 3.43Å; A268-K270 VanDerWaalsContact O-N 3.11Å; A268-R271 CarbonylContact O-C 3.47Å; A268-R271 WeakPolarHBondContact O-CA 3.49Å; A268-R271 WeakPolarHBondContact O-CB 3.48Å; A268-R271 PolarHBondContact O-N 2.86Å; A268-T272 PolarHBondContact O-N 3.45Å; A268-T272 PolarHBondContact O-OG1 3.3Å; A268-T272 VanDerWaalsContact O-OG1 3.12Å
269	L	94.9	Very high	94.5	Very high	31 Å²	31	58.7 Å²	58.7	16%	0.162	30%	0.3	C	S	.	.	H	α-helix	trans	-51.5	-38.9	-178.2	-179	60.7	0	0	0	112.7	W260 A265 R271 T272 F277 I318 L322	W260-L269 HydrophobicContact CD2-CD1 4.23Å; W260-L269 HydrophobicContact CE3-CB 3.8Å; W260-L269 HydrophobicContact CE3-CD1 3.8Å; W260-L269 HydrophobicContact CE3-CG 4.24Å; W260-L269 HydrophobicContact CH2-CD1 4.13Å; W260-L269 HydrophobicContact CZ3-CB 3.72Å; W260-L269 HydrophobicContact CZ3-CD1 3.75Å; W260-L269 HydrophobicContact CZ3-CG 4.33Å; A265-L269 WeakPolarHBondContact O-CB 3.4Å; A265-L269 PolarHBondContact O-N 3.36Å; L269-R271 PolarHBondContact O-N 2.98Å; L269-T272 PolarHBondContact O-N 3.4Å; L269-F277 HydrophobicContact CD1-CE1 4.42Å; L269-F277 HydrophobicContact CD1-CE2 3.71Å; L269-F277 HydrophobicContact CD1-CZ 3.34Å; L269-I318 HydrophobicContact CD1-CD1 4.05Å; L269-I318 HydrophobicContact CD2-CD1 4.22Å; L269-I318 HydrophobicContact CD2-CG1 4.11Å; L269-I318 HydrophobicContact CD2-CG2 4.41Å; L269-L322 HydrophobicContact CD1-CD2 3.75Å; L269-L322 HydrophobicContact CG-CD2 4.44Å
270	K	92.4	Very high	94.7	Very high	189 Å²	189	55 Å²	55	82%	0.822	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-19.2	178.3	-64	-177.1	-179.3	179.3	0	113.9	A268	A268-K270 PolarHBondContact O-N 3.43Å; A268-K270 VanDerWaalsContact O-N 3.11Å
271	R	94.7	Very high	94.9	Very high	210 Å²	210	54.5 Å²	54.5	79%	0.792	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-13.5	-179.7	-64.7	177.6	58.4	-112.5	-6.6	112.3	A268 L269	A268-R271 CarbonylContact O-C 3.47Å; A268-R271 WeakPolarHBondContact O-CA 3.49Å; A268-R271 WeakPolarHBondContact O-CB 3.48Å; A268-R271 PolarHBondContact O-N 2.86Å; L269-R271 PolarHBondContact O-N 2.98Å
272	T	97.5	Very high	95.3	Very high	15 Å²	15	50.8 Å²	50.8	9%	0.092	25%	0.252	C	S	.	.	S	Bend	trans	-72.4	131.8	177.5	-57.6	0	0	0	0	109.8	W260 A268 L269 F277 E377 L379	W260-T272 HydrophobicContact CH2-CG2 4.12Å; A268-T272 PolarHBondContact O-N 3.45Å; A268-T272 PolarHBondContact O-OG1 3.3Å; A268-T272 VanDerWaalsContact O-OG1 3.12Å; L269-T272 PolarHBondContact O-N 3.4Å; T272-F277 HydrophobicContact CG2-CE2 4.37Å; T272-E377 WeakPolarHBondContact CA-OE1 3.36Å; T272-L379 HydrophobicContact CG2-CD1 4.33Å; T272-L379 HydrophobicContact CG2-CD2 4.41Å
273	T	98.1	Very high	95.7	Very high	17 Å²	17	49.1 Å²	49.1	10%	0.104	24%	0.241	C	C	.	.			trans	-59.7	144.2	173.4	-176.6	0	0	0	0	112.5	D275 Y276 F366 E377	T273-D275 HydrophobicContact CG2-CB 4.02Å; T273-D275 PolarHBondContact O-N 2.91Å; T273-D275 PolarHBondContact OG1-N 2.61Å; T273-Y276 PolarHBondContact O-N 2.67Å; T273-F366 HydrophobicContact CG2-CB 4.08Å; T273-F366 HydrophobicContact CG2-CD2 3.55Å; T273-F366 HydrophobicContact CG2-CE2 4.21Å; T273-F366 HydrophobicContact CG2-CG 3.92Å; T273-E377 HydrophobicContact CG2-CG 4.04Å; T273-E377 PolarHBondContact N-OE1 3.03Å
274	S	98.3	Very high	96.1	Very high	31 Å²	31	46.2 Å²	46.2	22%	0.217	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-22.5	173.1	50.8	0	0	0	0	112.8	Y276 F277 L278	S274-Y276 PolarHBondContact O-N 2.93Å; S274-F277 WeakPolarHBondContact O-CA 3.49Å; S274-F277 WeakPolarHBondContact O-CB 3.26Å; S274-F277 PolarHBondContact O-N 3.47Å; S274-L278 PolarHBondContact O-N 3.32Å
275	D	98.7	Very high	96.6	Very high	9 Å²	9	39.5 Å²	39.5	5%	0.048	20%	0.196	C	C	.	.	H	α-helix	trans	-63.8	-25.2	-177	-65.9	12.5	0	0	0	112.8	H198 T273 F277 L278 L279 F366	H198-D275 IonicContact CD2-OD1 3.26Å; H198-D275 IonicContact CD2-OD2 2.67Å; T273-D275 HydrophobicContact CG2-CB 4.02Å; T273-D275 PolarHBondContact O-N 2.91Å; T273-D275 PolarHBondContact OG1-N 2.61Å; D275-F277 VanDerWaalsContact C-N 3.32Å; D275-L278 PolarHBondContact O-N 2.91Å; D275-L279 WeakPolarHBondContact O-CB 3.27Å; D275-L279 PolarHBondContact O-N 2.88Å; D275-F366 HydrophobicContact CB-CB 3.8Å; D275-F366 HydrophobicContact CB-CD1 3.67Å; D275-F366 HydrophobicContact CB-CE1 4.48Å; D275-F366 HydrophobicContact CB-CG 3.83Å
276	Y	98.8	Very high	97	Very high	1 Å²	1	39.7 Å²	39.7	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-61.8	-41.8	169.7	171.5	-99.6	0	0	0	111.4	A255 L256 W260 T273 S274 L279 Q280 F364 F366 L379	A255-Y276 WeakPolarHBondContact O-CE2 3.35Å; A255-Y276 PolarHBondContact O-OH 3.18Å; L256-Y276 PolarHBondContact O-OH 3.26Å; W260-Y276 HydrophobicContact CZ2-CD1 4.08Å; W260-Y276 AromaticContact CZ2-CE1 3.73Å; W260-Y276 HydrophobicContact CZ2-CE1 3.73Å; T273-Y276 PolarHBondContact O-N 2.67Å; S274-Y276 PolarHBondContact O-N 2.93Å; Y276-L279 WeakPolarHBondContact O-CB 3.24Å; Y276-L279 PolarHBondContact O-N 3.16Å; Y276-Q280 HydrophobicContact CE1-CG 4.24Å; Y276-Q280 VanDerWaalsContact CZ-NE2 3.33Å; Y276-Q280 WeakPolarHBondContact O-CG 3.34Å; Y276-Q280 PolarHBondContact O-N 3.48Å; Y276-Q280 PolarHBondContact OH-NE2 2.71Å; Y276-F364 HydrophobicContact CE2-CE2 4.48Å; Y276-F366 HydrophobicContact CD2-CZ 4.08Å; Y276-F366 HydrophobicContact CG-CZ 4.49Å; Y276-L379 HydrophobicContact CD1-CD1 4.3Å; Y276-L379 HydrophobicContact CD2-CD1 3.22Å; Y276-L379 HydrophobicContact CE2-CD1 3.61Å; Y276-L379 HydrophobicContact CG-CD1 3.6Å
277	F	98.8	Very high	97.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-77.1	-32.7	178.8	-57	-76	0	0	0	111.8	W260 L269 T272 S274 D275 L279 Q280 V281 L313 L316 I318 L322	W260-F277 AromaticContact CE2-CZ 3.91Å; W260-F277 HydrophobicContact CH2-CZ 4.21Å; W260-F277 HydrophobicContact CZ2-CE1 4.15Å; W260-F277 AromaticContact CZ2-CZ 3.71Å; W260-F277 HydrophobicContact CZ2-CZ 3.71Å; W260-F277 AromaticContact NE1-CE1 3.93Å; L269-F277 HydrophobicContact CD1-CE1 4.42Å; L269-F277 HydrophobicContact CD1-CE2 3.71Å; L269-F277 HydrophobicContact CD1-CZ 3.34Å; T272-F277 HydrophobicContact CG2-CE2 4.37Å; S274-F277 WeakPolarHBondContact O-CA 3.49Å; S274-F277 WeakPolarHBondContact O-CB 3.26Å; S274-F277 PolarHBondContact O-N 3.47Å; D275-F277 VanDerWaalsContact C-N 3.32Å; F277-L279 VanDerWaalsContact C-N 3.3Å; F277-L279 PolarHBondContact O-N 3.01Å; F277-Q280 WeakPolarHBondContact O-CB 3.4Å; F277-Q280 PolarHBondContact O-N 3.33Å; F277-V281 WeakPolarHBondContact O-CG2 3.14Å; F277-V281 PolarHBondContact O-N 2.73Å; F277-L313 HydrophobicContact CB-CD2 3.98Å; F277-L313 HydrophobicContact CD1-CD2 3.49Å; F277-L313 VanDerWaalsContact CD1-CD2 3.49Å; F277-L313 HydrophobicContact CE1-CD2 4.25Å; F277-L313 HydrophobicContact CG-CD2 3.86Å; F277-L316 HydrophobicContact CD1-CD1 4.21Å; F277-L316 HydrophobicContact CE1-CD1 4.19Å; F277-I318 HydrophobicContact CD1-CD1 4.3Å; F277-I318 HydrophobicContact CE1-CD1 3.38Å; F277-I318 HydrophobicContact CZ-CD1 3.76Å; F277-L322 HydrophobicContact CD2-CD2 3.56Å; F277-L322 HydrophobicContact CD2-CG 4.31Å; F277-L322 HydrophobicContact CE1-CD2 4.48Å; F277-L322 HydrophobicContact CE2-CD2 3.34Å; F277-L322 HydrophobicContact CE2-CG 4.41Å; F277-L322 HydrophobicContact CG-CD2 4.26Å; F277-L322 HydrophobicContact CZ-CD2 3.85Å
278	L	98.9	Very high	97.6	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.026	19%	0.187	C	C	.	.	H	α-helix	trans	-56.6	-45.6	168.3	177.9	58.2	0	0	0	111	H198 S274 D275 Q280 V281 L282 L323 F327 C331	H198-L278 HydrophobicContact CB-CD2 3.89Å; S274-L278 PolarHBondContact O-N 3.32Å; D275-L278 PolarHBondContact O-N 2.91Å; L278-Q280 VanDerWaalsContact C-N 3.33Å; L278-Q280 PolarHBondContact O-N 3.32Å; L278-V281 PolarHBondContact O-N 3.02Å; L278-L282 HydrophobicContact CD1-CD1 3.7Å; L278-L282 HydrophobicContact CD1-CG 4.11Å; L278-L282 HydrophobicContact CD2-CD1 4.48Å; L278-L282 HydrophobicContact CG-CD1 3.7Å; L278-L282 WeakPolarHBondContact O-CG 3.37Å; L278-L282 PolarHBondContact O-N 3.21Å; L278-L323 HydrophobicContact CB-CD1 4.12Å; L278-L323 HydrophobicContact CB-CD2 4.42Å; L278-L323 HydrophobicContact CD1-CD2 4.45Å; L278-F327 HydrophobicContact CD1-CD2 3.41Å; L278-F327 VanDerWaalsContact CD1-CD2 3.41Å; L278-F327 HydrophobicContact CD1-CE2 3.86Å; L278-F327 HydrophobicContact CD1-CG 4.35Å; L278-C331 HydrophobicContact CD1-CB 4.17Å
279	L	98.8	Very high	97.9	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.026	19%	0.194	C	C	.	.	H	α-helix	trans	-57.8	-44.5	174.6	173.2	61.4	0	0	0	111.9	Y200 L256 D275 Y276 F277 V281 L282 L283 F364 F366	Y200-L279 HydrophobicContact CD1-CD1 3.55Å; Y200-L279 HydrophobicContact CD1-CD2 4.34Å; Y200-L279 HydrophobicContact CD1-CG 4.49Å; Y200-L279 HydrophobicContact CD2-CD1 4.33Å; Y200-L279 HydrophobicContact CD2-CD2 3.78Å; Y200-L279 HydrophobicContact CE1-CD1 3.26Å; Y200-L279 HydrophobicContact CE1-CD2 4.45Å; Y200-L279 HydrophobicContact CE1-CG 4.47Å; Y200-L279 HydrophobicContact CE2-CD1 4.12Å; Y200-L279 HydrophobicContact CE2-CD2 3.93Å; Y200-L279 HydrophobicContact CG-CD1 4.08Å; Y200-L279 HydrophobicContact CG-CD2 4.01Å; L256-L279 HydrophobicContact CD2-CD2 4.26Å; D275-L279 WeakPolarHBondContact O-CB 3.27Å; D275-L279 PolarHBondContact O-N 2.88Å; Y276-L279 WeakPolarHBondContact O-CB 3.24Å; Y276-L279 PolarHBondContact O-N 3.16Å; F277-L279 VanDerWaalsContact C-N 3.3Å; F277-L279 PolarHBondContact O-N 3.01Å; L279-V281 VanDerWaalsContact C-N 3.34Å; L279-V281 PolarHBondContact O-N 3.47Å; L279-L282 PolarHBondContact O-N 3.05Å; L279-L283 HydrophobicContact CD1-CD1 3.8Å; L279-L283 HydrophobicContact CD1-CD2 4.33Å; L279-L283 HydrophobicContact CD1-CG 3.73Å; L279-L283 HydrophobicContact CG-CD1 3.89Å; L279-L283 HydrophobicContact CG-CG 4.25Å; L279-L283 WeakPolarHBondContact O-CB 3.31Å; L279-L283 WeakPolarHBondContact O-CG 3.42Å; L279-L283 PolarHBondContact O-N 3.02Å; L279-F364 HydrophobicContact CD2-CE1 3.83Å; L279-F364 HydrophobicContact CD2-CZ 4.45Å; L279-F366 HydrophobicContact CB-CE1 4.32Å; L279-F366 HydrophobicContact CD2-CE1 4.1Å; L279-F366 HydrophobicContact CD2-CZ 4.45Å
280	Q	98.8	Very high	98	Very high	10 Å²	10	43.7 Å²	43.7	5%	0.047	22%	0.221	C	C	.	.	H	α-helix	trans	-60	-43.7	178.5	-65.4	-70.8	-9.8	0	0	112.1	L256 Y276 F277 L278 K284 V312	L256-Q280 PolarHBondContact O-NE2 2.78Å; Y276-Q280 HydrophobicContact CE1-CG 4.24Å; Y276-Q280 VanDerWaalsContact CZ-NE2 3.33Å; Y276-Q280 WeakPolarHBondContact O-CG 3.34Å; Y276-Q280 PolarHBondContact O-N 3.48Å; Y276-Q280 PolarHBondContact OH-NE2 2.71Å; F277-Q280 WeakPolarHBondContact O-CB 3.4Å; F277-Q280 PolarHBondContact O-N 3.33Å; L278-Q280 VanDerWaalsContact C-N 3.33Å; L278-Q280 PolarHBondContact O-N 3.32Å; Q280-K284 WeakPolarHBondContact O-CB 3.14Å; Q280-K284 PolarHBondContact O-N 3.13Å; Q280-V312 HydrophobicContact CB-CG1 3.89Å
281	V	98.9	Very high	98.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.3	-46.6	176.9	171.9	0	0	0	0	111.1	F277 L278 L279 K284 F285 L305 I308 R309 L323 F327	F277-V281 WeakPolarHBondContact O-CG2 3.14Å; F277-V281 PolarHBondContact O-N 2.73Å; L278-V281 PolarHBondContact O-N 3.02Å; L279-V281 VanDerWaalsContact C-N 3.34Å; L279-V281 PolarHBondContact O-N 3.47Å; V281-K284 PolarHBondContact O-N 3.04Å; V281-F285 PolarHBondContact O-N 3.32Å; V281-L305 HydrophobicContact CG1-CD2 3.82Å; V281-I308 HydrophobicContact CB-CG2 4.34Å; V281-I308 HydrophobicContact CG1-CB 4.29Å; V281-I308 HydrophobicContact CG1-CG2 3.88Å; V281-R309 HydrophobicContact CG2-CB 3.99Å; V281-R309 HydrophobicContact CG2-CG 4.46Å; V281-L323 HydrophobicContact CG2-CD2 4.11Å; V281-F327 HydrophobicContact CG1-CE2 4.15Å; V281-F327 HydrophobicContact CG1-CZ 4.07Å
282	L	98.9	Very high	98.4	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-70	-38.2	-177.8	-68.4	164.7	0	0	0	112.5	F195 L278 L279 K284 F285 R286 P293 L305 C331	F195-L282 HydrophobicContact CB-CD1 3.75Å; F195-L282 HydrophobicContact CD1-CD1 4.06Å; F195-L282 HydrophobicContact CD1-CD2 4.24Å; F195-L282 HydrophobicContact CD2-CD1 3.59Å; F195-L282 HydrophobicContact CE1-CB 4.3Å; F195-L282 HydrophobicContact CE2-CB 4.36Å; F195-L282 HydrophobicContact CE2-CD1 4.1Å; F195-L282 HydrophobicContact CG-CD1 3.55Å; F195-L282 HydrophobicContact CG-CD2 4.47Å; F195-L282 HydrophobicContact CG-CG 4.47Å; F195-L282 HydrophobicContact CZ-CB 4.2Å; L278-L282 HydrophobicContact CD1-CD1 3.7Å; L278-L282 HydrophobicContact CD1-CG 4.11Å; L278-L282 HydrophobicContact CD2-CD1 4.48Å; L278-L282 HydrophobicContact CG-CD1 3.7Å; L278-L282 WeakPolarHBondContact O-CG 3.37Å; L278-L282 PolarHBondContact O-N 3.21Å; L279-L282 PolarHBondContact O-N 3.05Å; L282-K284 VanDerWaalsContact C-N 3.31Å; L282-K284 PolarHBondContact O-N 3.24Å; L282-F285 PolarHBondContact O-N 3.05Å; L282-R286 WeakPolarHBondContact O-CB 3.33Å; L282-R286 PolarHBondContact O-N 3.46Å; L282-P293 HydrophobicContact CD2-CG 3.89Å; L282-L305 HydrophobicContact CD2-CD2 4.02Å; L282-C331 HydrophobicContact CD1-CB 4.39Å
283	L	98.8	Very high	98.4	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-63.3	-38.9	172.6	-73.9	176.5	0	0	0	111.6	I175 L256 L279 T287	I175-L283 HydrophobicContact CD1-CD2 4.16Å; L256-L283 HydrophobicContact CD1-CD1 4.19Å; L256-L283 HydrophobicContact CD2-CD1 3.98Å; L279-L283 HydrophobicContact CD1-CD1 3.8Å; L279-L283 HydrophobicContact CD1-CD2 4.33Å; L279-L283 HydrophobicContact CD1-CG 3.73Å; L279-L283 HydrophobicContact CG-CD1 3.89Å; L279-L283 HydrophobicContact CG-CG 4.25Å; L279-L283 WeakPolarHBondContact O-CB 3.31Å; L279-L283 WeakPolarHBondContact O-CG 3.42Å; L279-L283 PolarHBondContact O-N 3.02Å; L283-T287 WeakPolarHBondContact O-CB 3.49Å; L283-T287 PolarHBondContact O-N 3.08Å; L283-T287 PolarHBondContact O-OG1 3.29Å
284	K	98.8	Very high	98.3	Very high	86 Å²	86	31.3 Å²	31.3	37%	0.374	17%	0.174	S	C	.	.	H	α-helix	trans	-67	-43.2	175.1	-177	58.8	165	74.1	0	111.4	Q280 V281 L282 R286 T287 D288 I308 V312	Q280-K284 WeakPolarHBondContact O-CB 3.14Å; Q280-K284 PolarHBondContact O-N 3.13Å; V281-K284 PolarHBondContact O-N 3.04Å; L282-K284 VanDerWaalsContact C-N 3.31Å; L282-K284 PolarHBondContact O-N 3.24Å; K284-R286 PolarHBondContact O-N 3.29Å; K284-T287 WeakPolarHBondContact O-CB 3.35Å; K284-T287 PolarHBondContact O-N 2.86Å; K284-D288 IonicContact NZ-OD1 3.1Å; K284-D288 PolarHBondContact NZ-OD1 3.3Å; K284-D288 IonicContact NZ-OD2 3.53Å; K284-D288 PolarHBondContact NZ-OD2 3.43Å; K284-D288 VanDerWaalsContact O-CG 3.3Å; K284-D288 PolarHBondContact O-N 3.35Å; K284-I308 HydrophobicContact CB-CG2 3.75Å; K284-I308 HydrophobicContact CG-CG2 3.68Å; K284-V312 HydrophobicContact CB-CG2 4.21Å; K284-V312 HydrophobicContact CG-CG2 4.18Å
285	F	98.9	Very high	98.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-56.4	-50.3	173.8	-175.9	-77.5	0	0	0	111.3	V281 L282 T287 D288 K289 R291 D292 P293 D301 L304 L305 I308	V281-F285 PolarHBondContact O-N 3.32Å; L282-F285 PolarHBondContact O-N 3.05Å; F285-T287 VanDerWaalsContact C-N 3.26Å; F285-T287 PolarHBondContact O-N 3.46Å; F285-D288 PolarHBondContact O-N 3.22Å; F285-D288 VanDerWaalsContact O-N 3.16Å; F285-K289 HydrophobicContact CD1-CB 4.3Å; F285-K289 HydrophobicContact CD1-CG 4.27Å; F285-K289 HydrophobicContact CE1-CB 3.94Å; F285-K289 HydrophobicContact CE1-CG 3.87Å; F285-K289 HydrophobicContact CE2-CG 4.25Å; F285-K289 HydrophobicContact CZ-CB 4.39Å; F285-K289 HydrophobicContact CZ-CG 3.86Å; F285-K289 WeakPolarHBondContact O-CB 3.44Å; F285-K289 PolarHBondContact O-N 3.18Å; F285-R291 VanDerWaalsContact CD1-O 3.3Å; F285-R291 WeakPolarHBondContact CD1-O 3.47Å; F285-R291 VanDerWaalsContact CE1-O 3.31Å; F285-R291 WeakPolarHBondContact CE1-O 3.42Å; F285-D292 VanDerWaalsContact CE1-C 3.46Å; F285-P293 HydrophobicContact CD1-CG 3.86Å; F285-P293 HydrophobicContact CD2-CG 4.31Å; F285-P293 HydrophobicContact CE1-CB 4.42Å; F285-P293 HydrophobicContact CE1-CG 3.88Å; F285-P293 HydrophobicContact CE2-CG 4.29Å; F285-P293 HydrophobicContact CG-CG 4.1Å; F285-P293 HydrophobicContact CZ-CB 4.37Å; F285-P293 HydrophobicContact CZ-CG 4.09Å; F285-D301 HydrophobicContact CE2-CB 4.07Å; F285-D301 HydrophobicContact CZ-CB 4.06Å; F285-D301 WeakPolarHBondContact CZ-OD1 3.31Å; F285-L304 HydrophobicContact CD2-CD2 4.03Å; F285-L304 HydrophobicContact CD2-CG 4.29Å; F285-L304 HydrophobicContact CE2-CB 4.45Å; F285-L304 HydrophobicContact CE2-CD2 3.77Å; F285-L304 HydrophobicContact CE2-CG 4.26Å; F285-L305 HydrophobicContact CB-CD2 4.02Å; F285-L305 HydrophobicContact CD2-CD2 3.66Å; F285-L305 HydrophobicContact CD2-CG 3.91Å; F285-L305 HydrophobicContact CE2-CD2 4.44Å; F285-L305 HydrophobicContact CE2-CG 4.26Å; F285-L305 HydrophobicContact CG-CD2 4.04Å; F285-I308 HydrophobicContact CB-CD1 3.91Å; F285-I308 HydrophobicContact CD2-CD1 3.98Å; F285-I308 HydrophobicContact CG-CD1 4.38Å
286	R	98.7	Very high	97.9	Very high	15 Å²	15	38.9 Å²	38.9	6%	0.057	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-39.8	177.5	-175.3	-179.5	-71.8	172.7	-5.6	111.9	C169 C170 D193 L282 K284 G290 R291 D292	C169-R286 VanDerWaalsContact C-NH1 3.33Å; C170-R286 WeakPolarHBondContact O-CD 3.49Å; C170-R286 PolarHBondContact O-NH1 3.17Å; D193-R286 IonicContact OD1-CZ 3.72Å; D193-R286 IonicContact OD1-NH1 3.28Å; D193-R286 IonicContact OD1-NH2 3.93Å; D193-R286 PolarHBondContact OD1-NH2 3.44Å; D193-R286 IonicContact OD2-CZ 3.75Å; D193-R286 IonicContact OD2-NH1 3.42Å; D193-R286 PolarHBondContact OD2-NH1 3.24Å; D193-R286 IonicContact OD2-NH2 2.96Å; D193-R286 PolarHBondContact OD2-NH2 3.32Å; L282-R286 WeakPolarHBondContact O-CB 3.33Å; L282-R286 PolarHBondContact O-N 3.46Å; K284-R286 PolarHBondContact O-N 3.29Å; R286-G290 VanDerWaalsContact O-CA 3.28Å; R286-G290 WeakPolarHBondContact O-CA 3.39Å; R286-G290 PolarHBondContact O-N 3.42Å; R286-R291 WeakPolarHBondContact CA-O 3.5Å; R286-D292 IonicContact CZ-OD1 2.79Å; R286-D292 VanDerWaalsContact CZ-OD1 3.26Å; R286-D292 IonicContact CZ-OD2 3.51Å; R286-D292 IonicContact NE-OD1 2.63Å; R286-D292 PolarHBondContact NE-OD1 2.84Å; R286-D292 IonicContact NE-OD2 2.75Å; R286-D292 IonicContact NH2-OD1 3.98Å; R286-D292 PolarHBondContact NH2-OD1 2.7Å; R286-D292 IonicContact NH2-OD2 3.37Å; R286-D292 PolarHBondContact NH2-OD2 2.91Å
287	T	98	Very high	97.8	Very high	64 Å²	64	40.9 Å²	40.9	39%	0.393	23%	0.23	S	C	.	.	H	α-helix	trans	-64.5	-44.4	176.9	-56.3	0	0	0	0	111.7	L283 K284 F285	L283-T287 WeakPolarHBondContact O-CB 3.49Å; L283-T287 PolarHBondContact O-N 3.08Å; L283-T287 PolarHBondContact O-OG1 3.29Å; K284-T287 WeakPolarHBondContact O-CB 3.35Å; K284-T287 PolarHBondContact O-N 2.86Å; F285-T287 VanDerWaalsContact C-N 3.26Å; F285-T287 PolarHBondContact O-N 3.46Å
288	D	98.1	Very high	97.8	Very high	78 Å²	78	45.1 Å²	45.1	42%	0.417	25%	0.247	S	C	.	.	H	α-helix	trans	-75.3	-33.7	-176.7	-66.4	-16.6	0	0	0	113.2	K284 F285	K284-D288 IonicContact NZ-OD1 3.1Å; K284-D288 PolarHBondContact NZ-OD1 3.3Å; K284-D288 IonicContact NZ-OD2 3.53Å; K284-D288 PolarHBondContact NZ-OD2 3.43Å; K284-D288 VanDerWaalsContact O-CG 3.3Å; K284-D288 PolarHBondContact O-N 3.35Å; F285-D288 PolarHBondContact O-N 3.22Å; F285-D288 VanDerWaalsContact O-N 3.16Å
289	K	98.3	Very high	97.8	Very high	109 Å²	109	52.4 Å²	52.4	47%	0.474	28%	0.28	S	S	.	.	H	α-helix	trans	-103.6	-17.5	-172.7	-67.4	-65.3	-174.1	174.9	0	114.5	F285 R291 L304	F285-K289 HydrophobicContact CD1-CB 4.3Å; F285-K289 HydrophobicContact CD1-CG 4.27Å; F285-K289 HydrophobicContact CE1-CB 3.94Å; F285-K289 HydrophobicContact CE1-CG 3.87Å; F285-K289 HydrophobicContact CE2-CG 4.25Å; F285-K289 HydrophobicContact CZ-CB 4.39Å; F285-K289 HydrophobicContact CZ-CG 3.86Å; F285-K289 WeakPolarHBondContact O-CB 3.44Å; F285-K289 PolarHBondContact O-N 3.18Å; K289-R291 HydrophobicContact CB-CG 3.98Å; K289-R291 PolarHBondContact O-N 3.2Å; K289-L304 HydrophobicContact CD-CD2 4.2Å; K289-L304 HydrophobicContact CG-CD2 4.14Å
290	G	97.4	Very high	97.7	Very high	70 Å²	70	57.6 Å²	57.6	72%	0.722	31%	0.305	S	S	*	.	S	Bend	trans	65	17	-171.4	0	0	0	0	0	113.6	R286	R286-G290 VanDerWaalsContact O-CA 3.28Å; R286-G290 WeakPolarHBondContact O-CA 3.39Å; R286-G290 PolarHBondContact O-N 3.42Å
291	R	97.2	Very high	97.7	Very high	92 Å²	92	57.3 Å²	57.3	35%	0.347	30%	0.303	S	S	.	.	S	Bend	trans	-154.3	166.5	176.8	63.6	165.4	-178.6	79.7	-2.6	110.2	F285 R286 K289 T297 D301	F285-R291 VanDerWaalsContact CD1-O 3.3Å; F285-R291 WeakPolarHBondContact CD1-O 3.47Å; F285-R291 VanDerWaalsContact CE1-O 3.31Å; F285-R291 WeakPolarHBondContact CE1-O 3.42Å; R286-R291 WeakPolarHBondContact CA-O 3.5Å; K289-R291 HydrophobicContact CB-CG 3.98Å; K289-R291 PolarHBondContact O-N 3.2Å; R291-T297 PolarHBondContact NH2-OG1 2.95Å; R291-D301 IonicContact CZ-OD1 3.94Å; R291-D301 IonicContact CZ-OD2 2.74Å; R291-D301 IonicContact NH1-OD1 3.77Å; R291-D301 PolarHBondContact NH1-OD1 3.25Å; R291-D301 IonicContact NH1-OD2 3.27Å; R291-D301 PolarHBondContact NH1-OD2 3.11Å; R291-D301 IonicContact NH2-OD1 3.98Å; R291-D301 PolarHBondContact NH2-OD1 3.05Å; R291-D301 IonicContact NH2-OD2 3.34Å; R291-D301 PolarHBondContact NH2-OD2 2.78Å
292	D	97.8	Very high	97.7	Very high	38 Å²	38	57.8 Å²	57.8	20%	0.203	31%	0.307	C	S	.	.			trans	-85	165.9	170.2	-65.8	-35.3	0	0	0	112.3	F195 F285 R286 S294	F195-D292 HydrophobicContact CE1-CB 4.45Å; F285-D292 VanDerWaalsContact CE1-C 3.46Å; R286-D292 IonicContact CZ-OD1 2.79Å; R286-D292 VanDerWaalsContact CZ-OD1 3.26Å; R286-D292 IonicContact CZ-OD2 3.51Å; R286-D292 IonicContact NE-OD1 2.63Å; R286-D292 PolarHBondContact NE-OD1 2.84Å; R286-D292 IonicContact NE-OD2 2.75Å; R286-D292 IonicContact NH2-OD1 3.98Å; R286-D292 PolarHBondContact NH2-OD1 2.7Å; R286-D292 IonicContact NH2-OD2 3.37Å; R286-D292 PolarHBondContact NH2-OD2 2.91Å; D292-S294 PolarHBondContact O-N 2.83Å
293	P	97.9	Very high	97.7	Very high	6 Å²	6	64.8 Å²	64.8	4%	0.039	34%	0.339	C	S	.	.			trans	-58.3	132.1	172.8	-24.2	35.1	0	0	0	111.8	L282 F285 D301 L305 F332	L282-P293 HydrophobicContact CD2-CG 3.89Å; F285-P293 HydrophobicContact CD1-CG 3.86Å; F285-P293 HydrophobicContact CD2-CG 4.31Å; F285-P293 HydrophobicContact CE1-CB 4.42Å; F285-P293 HydrophobicContact CE1-CG 3.88Å; F285-P293 HydrophobicContact CE2-CG 4.29Å; F285-P293 HydrophobicContact CG-CG 4.1Å; F285-P293 HydrophobicContact CZ-CB 4.37Å; F285-P293 HydrophobicContact CZ-CG 4.09Å; P293-D301 WeakPolarHBondContact CA-OD2 3.49Å; P293-D301 HydrophobicContact CB-CB 4.3Å; P293-L305 HydrophobicContact CB-CD1 4.07Å; P293-L305 HydrophobicContact CG-CD1 3.81Å; P293-L305 HydrophobicContact CG-CD2 4.06Å; P293-L305 HydrophobicContact CG-CG 4.3Å; P293-F332 HydrophobicContact CB-CD1 3.68Å; P293-F332 HydrophobicContact CB-CD2 4.42Å; P293-F332 HydrophobicContact CB-CE1 3.45Å; P293-F332 VanDerWaalsContact CB-CE1 3.45Å; P293-F332 HydrophobicContact CB-CE2 4.22Å; P293-F332 HydrophobicContact CB-CG 4.19Å; P293-F332 HydrophobicContact CB-CZ 3.76Å
294	S	95.4	Very high	97.7	Very high	35 Å²	35	66.9 Å²	66.9	25%	0.245	35%	0.35	C	S	.	.			trans	-113.9	142	-177.4	-179.2	0	0	0	0	111.4	D292 D296 T297 Y298 D301 F332	D292-S294 PolarHBondContact O-N 2.83Å; S294-D296 PolarHBondContact O-N 2.97Å; S294-D296 PolarHBondContact OG-N 3.15Å; S294-T297 CarbonylContact O-C 3.39Å; S294-T297 PolarHBondContact O-N 3.26Å; S294-Y298 PolarHBondContact O-N 2.92Å; S294-D301 PolarHBondContact N-OD2 3.14Å; S294-F332 WeakPolarHBondContact O-CD1 3.18Å; S294-F332 WeakPolarHBondContact O-CE1 3.3Å
295	S	93.6	Very high	97.7	Very high	70 Å²	70	62.8 Å²	62.8	49%	0.49	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-61.9	-25.7	173.9	51	0	0	0	0	113.1	T297 Y298	S295-T297 VanDerWaalsContact C-N 3.28Å; S295-T297 PolarHBondContact O-N 3.13Å; S295-Y298 WeakPolarHBondContact O-CB 3.3Å
296	D	95.2	Very high	97.7	Very high	128 Å²	128	65 Å²	65	68%	0.684	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-72	-25.3	179.3	-62.3	-22.9	0	0	0	112.5	S294	S294-D296 PolarHBondContact O-N 2.97Å; S294-D296 PolarHBondContact OG-N 3.15Å
297	T	97.4	Very high	97.7	Very high	43 Å²	43	68.9 Å²	68.9	26%	0.264	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-118.9	36.7	178.1	50.1	0	0	0	0	110.5	R291 S294 S295 E299 E300 D301	R291-T297 PolarHBondContact NH2-OG1 2.95Å; S294-T297 CarbonylContact O-C 3.39Å; S294-T297 PolarHBondContact O-N 3.26Å; S295-T297 VanDerWaalsContact C-N 3.28Å; S295-T297 PolarHBondContact O-N 3.13Å; T297-E299 VanDerWaalsContact C-N 3.34Å; T297-E299 PolarHBondContact O-N 2.83Å; T297-E300 VanDerWaalsContact C-OE2 3.3Å; T297-E300 VanDerWaalsContact CA-OE2 3.27Å; T297-E300 WeakPolarHBondContact CA-OE2 3.34Å; T297-E300 PolarHBondContact O-N 3.12Å; T297-D301 WeakPolarHBondContact O-CB 3.46Å; T297-D301 PolarHBondContact O-N 3.03Å; T297-D301 PolarHBondContact OG1-OD2 3.38Å
298	Y	97.9	Very high	97.8	Very high	89 Å²	89	66 Å²	66	35%	0.349	35%	0.345	S	S	.	.	H	α-helix	trans	-59.4	-42.2	-171.3	175	-93.9	0	0	0	112.6	S294 S295 S302 F332	S294-Y298 PolarHBondContact O-N 2.92Å; S295-Y298 WeakPolarHBondContact O-CB 3.3Å; Y298-S302 WeakPolarHBondContact CE2-OG 3.47Å; Y298-S302 WeakPolarHBondContact O-CB 3.42Å; Y298-S302 PolarHBondContact O-N 3.06Å; Y298-S302 PolarHBondContact O-OG 3.05Å; Y298-F332 AromaticContact CD2-CD1 4Å; Y298-F332 HydrophobicContact CD2-CD1 4Å; Y298-F332 HydrophobicContact CD2-CD2 4.09Å; Y298-F332 AromaticContact CD2-CE1 3.82Å; Y298-F332 HydrophobicContact CD2-CE1 3.82Å; Y298-F332 AromaticContact CD2-CE2 3.93Å; Y298-F332 HydrophobicContact CD2-CE2 3.93Å; Y298-F332 HydrophobicContact CD2-CG 4.11Å; Y298-F332 AromaticContact CD2-CZ 3.77Å; Y298-F332 HydrophobicContact CD2-CZ 3.77Å; Y298-F332 HydrophobicContact CE2-CD2 4.02Å; Y298-F332 AromaticContact CE2-CE2 3.87Å; Y298-F332 HydrophobicContact CE2-CE2 3.87Å; Y298-F332 HydrophobicContact CE2-CG 4.45Å; Y298-F332 HydrophobicContact CE2-CZ 4.15Å
299	E	98.3	Very high	97.8	Very high	158 Å²	158	62.7 Å²	62.7	74%	0.738	33%	0.327	S	S	*	.	H	α-helix	trans	-64.7	-50.5	-178.6	-65.2	-174.1	175.6	0	0	110.8	T297 S302 E303	T297-E299 VanDerWaalsContact C-N 3.34Å; T297-E299 PolarHBondContact O-N 2.83Å; E299-S302 PolarHBondContact O-N 2.82Å; E299-E303 PolarHBondContact O-N 3.4Å
300	E	98.6	Very high	97.8	Very high	115 Å²	115	59.6 Å²	59.6	54%	0.537	32%	0.316	S	S	.	.	H	α-helix	trans	-68.1	-41	-178.8	-56.4	90.9	167.3	0	0	112.4	T297 L304	T297-E300 VanDerWaalsContact C-OE2 3.3Å; T297-E300 VanDerWaalsContact CA-OE2 3.27Å; T297-E300 WeakPolarHBondContact CA-OE2 3.34Å; T297-E300 PolarHBondContact O-N 3.12Å; E300-L304 PolarHBondContact O-N 2.71Å; E300-L304 VanDerWaalsContact O-N 3.13Å
301	D	98.7	Very high	97.9	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.016	30%	0.304	C	S	.	.	H	α-helix	trans	-70.8	-36.1	-179.5	-71.1	-13.8	0	0	0	111.3	F285 R291 P293 S294 T297 L304 L305 F332	F285-D301 HydrophobicContact CE2-CB 4.07Å; F285-D301 HydrophobicContact CZ-CB 4.06Å; F285-D301 WeakPolarHBondContact CZ-OD1 3.31Å; R291-D301 IonicContact CZ-OD1 3.94Å; R291-D301 IonicContact CZ-OD2 2.74Å; R291-D301 IonicContact NH1-OD1 3.77Å; R291-D301 PolarHBondContact NH1-OD1 3.25Å; R291-D301 IonicContact NH1-OD2 3.27Å; R291-D301 PolarHBondContact NH1-OD2 3.11Å; R291-D301 IonicContact NH2-OD1 3.98Å; R291-D301 PolarHBondContact NH2-OD1 3.05Å; R291-D301 IonicContact NH2-OD2 3.34Å; R291-D301 PolarHBondContact NH2-OD2 2.78Å; P293-D301 WeakPolarHBondContact CA-OD2 3.49Å; P293-D301 HydrophobicContact CB-CB 4.3Å; S294-D301 PolarHBondContact N-OD2 3.14Å; T297-D301 WeakPolarHBondContact O-CB 3.46Å; T297-D301 PolarHBondContact O-N 3.03Å; T297-D301 PolarHBondContact OG1-OD2 3.38Å; D301-L304 PolarHBondContact O-N 3.35Å; D301-L305 WeakPolarHBondContact O-CB 3.38Å; D301-L305 WeakPolarHBondContact O-CG 3.35Å; D301-L305 PolarHBondContact O-N 2.93Å; D301-F332 HydrophobicContact CB-CE1 3.75Å; D301-F332 HydrophobicContact CB-CZ 3.82Å
302	S	98.8	Very high	98	Very high	11 Å²	11	57 Å²	57	8%	0.077	29%	0.293	C	S	.	.	H	α-helix	trans	-65	-43.6	176.2	-64.8	0	0	0	0	111.9	Y298 E299 L304 L305 L306	Y298-S302 WeakPolarHBondContact CE2-OG 3.47Å; Y298-S302 WeakPolarHBondContact O-CB 3.42Å; Y298-S302 PolarHBondContact O-N 3.06Å; Y298-S302 PolarHBondContact O-OG 3.05Å; E299-S302 PolarHBondContact O-N 2.82Å; S302-L304 VanDerWaalsContact C-N 3.33Å; S302-L304 PolarHBondContact O-N 2.78Å; S302-L305 PolarHBondContact O-N 3.28Å; S302-L306 WeakPolarHBondContact O-CG 3.44Å; S302-L306 PolarHBondContact O-N 3.19Å; S302-L306 VanDerWaalsContact O-N 3.11Å
303	E	98.8	Very high	98	Very high	148 Å²	148	55.2 Å²	55.2	69%	0.692	28%	0.283	S	S	*	.	H	α-helix	trans	-59.9	-45.8	175.9	-174.3	178.2	175.5	0	0	110.8	E299 L306 Q307	E299-E303 PolarHBondContact O-N 3.4Å; E303-L306 PolarHBondContact O-N 2.93Å; E303-Q307 PolarHBondContact O-N 2.71Å
304	L	98.8	Very high	98	Very high	46 Å²	46	59.8 Å²	59.8	24%	0.241	31%	0.307	C	S	.	.	H	α-helix	trans	-66.3	-40.6	177.8	179.6	60.7	0	0	0	112.8	F285 K289 E300 D301 S302 L306 Q307 I308	F285-L304 HydrophobicContact CD2-CD2 4.03Å; F285-L304 HydrophobicContact CD2-CG 4.29Å; F285-L304 HydrophobicContact CE2-CB 4.45Å; F285-L304 HydrophobicContact CE2-CD2 3.77Å; F285-L304 HydrophobicContact CE2-CG 4.26Å; K289-L304 HydrophobicContact CD-CD2 4.2Å; K289-L304 HydrophobicContact CG-CD2 4.14Å; E300-L304 PolarHBondContact O-N 2.71Å; E300-L304 VanDerWaalsContact O-N 3.13Å; D301-L304 PolarHBondContact O-N 3.35Å; S302-L304 VanDerWaalsContact C-N 3.33Å; S302-L304 PolarHBondContact O-N 2.78Å; L304-L306 VanDerWaalsContact C-N 3.3Å; L304-L306 PolarHBondContact O-N 2.63Å; L304-Q307 WeakPolarHBondContact O-CB 3.14Å; L304-Q307 PolarHBondContact O-N 2.71Å; L304-I308 HydrophobicContact CD1-CD1 4.06Å; L304-I308 HydrophobicContact CD1-CG1 4.03Å; L304-I308 HydrophobicContact CD2-CD1 4.3Å; L304-I308 HydrophobicContact CG-CD1 3.78Å; L304-I308 HydrophobicContact CG-CG1 4.2Å; L304-I308 WeakPolarHBondContact O-CG1 3.42Å; L304-I308 PolarHBondContact O-N 3.22Å
305	L	98.9	Very high	98.1	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-60.8	-40.2	178.1	-78.3	168.3	0	0	0	111.7	V281 L282 F285 P293 D301 S302 Q307 I308 R309 F327 V328 F332	V281-L305 HydrophobicContact CG1-CD2 3.82Å; L282-L305 HydrophobicContact CD2-CD2 4.02Å; F285-L305 HydrophobicContact CB-CD2 4.02Å; F285-L305 HydrophobicContact CD2-CD2 3.66Å; F285-L305 HydrophobicContact CD2-CG 3.91Å; F285-L305 HydrophobicContact CE2-CD2 4.44Å; F285-L305 HydrophobicContact CE2-CG 4.26Å; F285-L305 HydrophobicContact CG-CD2 4.04Å; P293-L305 HydrophobicContact CB-CD1 4.07Å; P293-L305 HydrophobicContact CG-CD1 3.81Å; P293-L305 HydrophobicContact CG-CD2 4.06Å; P293-L305 HydrophobicContact CG-CG 4.3Å; D301-L305 WeakPolarHBondContact O-CB 3.38Å; D301-L305 WeakPolarHBondContact O-CG 3.35Å; D301-L305 PolarHBondContact O-N 2.93Å; S302-L305 PolarHBondContact O-N 3.28Å; L305-Q307 VanDerWaalsContact C-N 3.35Å; L305-I308 PolarHBondContact O-N 2.66Å; L305-R309 WeakPolarHBondContact O-CB 3.31Å; L305-R309 PolarHBondContact O-N 3.12Å; L305-F327 HydrophobicContact CB-CE2 4.19Å; L305-F327 HydrophobicContact CB-CZ 3.93Å; L305-V328 HydrophobicContact CB-CG1 3.83Å; L305-V328 HydrophobicContact CD1-CG1 4.22Å; L305-F332 HydrophobicContact CD1-CE2 3.71Å; L305-F332 HydrophobicContact CD1-CZ 3.81Å
306	L	98.9	Very high	98.2	Very high	46 Å²	46	61.6 Å²	61.6	24%	0.241	32%	0.316	C	S	.	.	H	α-helix	trans	-63.7	-40.7	174.8	-71.6	167.9	0	0	0	111.9	S302 E303 L304 R309 N310 E325 F327 V328	S302-L306 WeakPolarHBondContact O-CG 3.44Å; S302-L306 PolarHBondContact O-N 3.19Å; S302-L306 VanDerWaalsContact O-N 3.11Å; E303-L306 PolarHBondContact O-N 2.93Å; L304-L306 VanDerWaalsContact C-N 3.3Å; L304-L306 PolarHBondContact O-N 2.63Å; L306-R309 WeakPolarHBondContact O-CB 3.18Å; L306-R309 PolarHBondContact O-N 3.35Å; L306-N310 VanDerWaalsContact O-CG 3.29Å; L306-N310 PolarHBondContact O-N 2.87Å; L306-N310 PolarHBondContact O-ND2 2.79Å; L306-N310 PolarHBondContact O-OD1 3.44Å; L306-E325 HydrophobicContact CD2-CB 3.91Å; L306-E325 HydrophobicContact CD2-CG 3.92Å; L306-F327 HydrophobicContact CD2-CE1 4.02Å; L306-V328 HydrophobicContact CD2-CG1 4.3Å; L306-V328 HydrophobicContact CG-CG1 4.09Å
307	Q	98.8	Very high	98.3	Very high	97 Å²	97	59 Å²	59	45%	0.453	32%	0.32	S	S	.	.	H	α-helix	trans	-64	-49	174.6	-176.7	58.8	50.8	0	0	111.4	E303 L304 L305 R309 N310 D311	E303-Q307 PolarHBondContact O-N 2.71Å; L304-Q307 WeakPolarHBondContact O-CB 3.14Å; L304-Q307 PolarHBondContact O-N 2.71Å; L305-Q307 VanDerWaalsContact C-N 3.35Å; Q307-R309 VanDerWaalsContact C-N 3.28Å; Q307-R309 PolarHBondContact O-N 2.89Å; Q307-N310 PolarHBondContact O-N 3.42Å; Q307-N310 VanDerWaalsContact O-N 3.12Å; Q307-D311 PolarHBondContact NE2-OD1 2.87Å; Q307-D311 PolarHBondContact NE2-OD2 3.42Å; Q307-D311 PolarHBondContact O-N 3.31Å
308	I	98.9	Very high	98.3	Very high	5 Å²	5	57.6 Å²	57.6	3%	0.026	31%	0.311	C	S	.	.	H	α-helix	trans	-59.5	-40.9	178.2	-69.2	173.2	0	0	0	110.8	V281 K284 F285 L304 L305 N310 D311 V312	V281-I308 HydrophobicContact CB-CG2 4.34Å; V281-I308 HydrophobicContact CG1-CB 4.29Å; V281-I308 HydrophobicContact CG1-CG2 3.88Å; K284-I308 HydrophobicContact CB-CG2 3.75Å; K284-I308 HydrophobicContact CG-CG2 3.68Å; F285-I308 HydrophobicContact CB-CD1 3.91Å; F285-I308 HydrophobicContact CD2-CD1 3.98Å; F285-I308 HydrophobicContact CG-CD1 4.38Å; L304-I308 HydrophobicContact CD1-CD1 4.06Å; L304-I308 HydrophobicContact CD1-CG1 4.03Å; L304-I308 HydrophobicContact CD2-CD1 4.3Å; L304-I308 HydrophobicContact CG-CD1 3.78Å; L304-I308 HydrophobicContact CG-CG1 4.2Å; L304-I308 WeakPolarHBondContact O-CG1 3.42Å; L304-I308 PolarHBondContact O-N 3.22Å; L305-I308 PolarHBondContact O-N 2.66Å; I308-N310 VanDerWaalsContact C-N 3.33Å; I308-N310 PolarHBondContact O-N 3.34Å; I308-D311 PolarHBondContact O-N 2.89Å; I308-V312 HydrophobicContact CG2-CG2 3.86Å; I308-V312 VanDerWaalsContact O-CB 3.29Å; I308-V312 WeakPolarHBondContact O-CB 3.28Å; I308-V312 VanDerWaalsContact O-CG2 3.24Å; I308-V312 WeakPolarHBondContact O-CG2 3.43Å; I308-V312 PolarHBondContact O-N 3.04Å
309	R	98.8	Very high	98.2	Very high	7 Å²	7	56.5 Å²	56.5	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-53.4	-51.3	174.3	175.1	-158.7	66.2	172.2	-2.1	111.3	V281 L305 L306 Q307 L313 L323 E325 F327	V281-R309 HydrophobicContact CG2-CB 3.99Å; V281-R309 HydrophobicContact CG2-CG 4.46Å; L305-R309 WeakPolarHBondContact O-CB 3.31Å; L305-R309 PolarHBondContact O-N 3.12Å; L306-R309 WeakPolarHBondContact O-CB 3.18Å; L306-R309 PolarHBondContact O-N 3.35Å; Q307-R309 VanDerWaalsContact C-N 3.28Å; Q307-R309 PolarHBondContact O-N 2.89Å; R309-L313 HydrophobicContact CG-CD1 3.75Å; R309-L313 WeakPolarHBondContact O-CB 3.46Å; R309-L313 WeakPolarHBondContact O-CG 3.39Å; R309-L313 PolarHBondContact O-N 3.28Å; R309-L323 VanDerWaalsContact CD-O 3.25Å; R309-L323 WeakPolarHBondContact CD-O 3.41Å; R309-L323 HydrophobicContact CG-CB 4.22Å; R309-L323 HydrophobicContact CG-CD2 4.07Å; R309-L323 PolarHBondContact NH1-O 2.87Å; R309-E325 IonicContact NH2-OE1 3.56Å; R309-E325 PolarHBondContact NH2-OE1 3.48Å; R309-F327 HydrophobicContact CB-CE1 4.11Å; R309-F327 HydrophobicContact CB-CZ 4.2Å; R309-F327 HydrophobicContact CG-CE1 4.36Å
310	N	98.8	Very high	98.1	Very high	45 Å²	45	50.2 Å²	50.2	24%	0.241	29%	0.288	C	S	.	.	H	α-helix	trans	-60.9	-51.5	-178.5	-60.8	-19.6	0	0	0	109.8	L306 Q307 I308 V312 L313 D314	L306-N310 VanDerWaalsContact O-CG 3.29Å; L306-N310 PolarHBondContact O-N 2.87Å; L306-N310 PolarHBondContact O-ND2 2.79Å; L306-N310 PolarHBondContact O-OD1 3.44Å; Q307-N310 PolarHBondContact O-N 3.42Å; Q307-N310 VanDerWaalsContact O-N 3.12Å; I308-N310 VanDerWaalsContact C-N 3.33Å; I308-N310 PolarHBondContact O-N 3.34Å; N310-V312 PolarHBondContact O-N 2.85Å; N310-L313 PolarHBondContact O-N 3.37Å; N310-D314 WeakPolarHBondContact O-CB 3.31Å; N310-D314 PolarHBondContact O-N 3.43Å
311	D	98.7	Very high	98.1	Very high	89 Å²	89	51 Å²	51	48%	0.476	30%	0.296	S	S	.	.	H	α-helix	trans	-59.5	-44.1	-177.9	-62.2	-23.4	0	0	0	112.4	Q307 I308 S315	Q307-D311 PolarHBondContact NE2-OD1 2.87Å; Q307-D311 PolarHBondContact NE2-OD2 3.42Å; Q307-D311 PolarHBondContact O-N 3.31Å; I308-D311 PolarHBondContact O-N 2.89Å; D311-S315 WeakPolarHBondContact O-CB 3.44Å; D311-S315 PolarHBondContact O-N 3.43Å; D311-S315 VanDerWaalsContact O-N 3.08Å
312	V	98.5	Very high	98	Very high	19 Å²	19	53.6 Å²	53.6	12%	0.115	31%	0.31	C	S	.	.	H	α-helix	trans	-67.7	-50.2	-179.5	169	0	0	0	0	110.8	Q280 K284 I308 N310 S315 L316	Q280-V312 HydrophobicContact CB-CG1 3.89Å; K284-V312 HydrophobicContact CB-CG2 4.21Å; K284-V312 HydrophobicContact CG-CG2 4.18Å; I308-V312 HydrophobicContact CG2-CG2 3.86Å; I308-V312 VanDerWaalsContact O-CB 3.29Å; I308-V312 WeakPolarHBondContact O-CB 3.28Å; I308-V312 VanDerWaalsContact O-CG2 3.24Å; I308-V312 WeakPolarHBondContact O-CG2 3.43Å; I308-V312 PolarHBondContact O-N 3.04Å; N310-V312 PolarHBondContact O-N 2.85Å; V312-S315 PolarHBondContact O-N 3.01Å; V312-S315 PolarHBondContact O-OG 2.84Å; V312-L316 HydrophobicContact CG1-CD1 4.35Å; V312-L316 WeakPolarHBondContact O-CG 3.3Å; V312-L316 PolarHBondContact O-N 2.99Å
313	L	98.3	Very high	98	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-68.2	-38.1	-177.3	-73.2	176.2	0	0	0	112	F277 R309 N310 S315 L316 G317 I318 L323	F277-L313 HydrophobicContact CB-CD2 3.98Å; F277-L313 HydrophobicContact CD1-CD2 3.49Å; F277-L313 VanDerWaalsContact CD1-CD2 3.49Å; F277-L313 HydrophobicContact CE1-CD2 4.25Å; F277-L313 HydrophobicContact CG-CD2 3.86Å; R309-L313 HydrophobicContact CG-CD1 3.75Å; R309-L313 WeakPolarHBondContact O-CB 3.46Å; R309-L313 WeakPolarHBondContact O-CG 3.39Å; R309-L313 PolarHBondContact O-N 3.28Å; N310-L313 PolarHBondContact O-N 3.37Å; L313-S315 VanDerWaalsContact C-N 3.33Å; L313-S315 PolarHBondContact O-N 2.99Å; L313-L316 CarbonylContact O-C 3.57Å; L313-L316 PolarHBondContact O-N 2.88Å; L313-L316 VanDerWaalsContact O-N 3.13Å; L313-G317 PolarHBondContact O-N 3.36Å; L313-G317 VanDerWaalsContact O-N 3.15Å; L313-I318 CarbonylContact C-O 3.58Å; L313-I318 HydrophobicContact CD2-CB 4.18Å; L313-I318 HydrophobicContact CD2-CG2 4.04Å; L313-I318 PolarHBondContact O-N 3.05Å; L313-I318 VanDerWaalsContact O-O 3.13Å; L313-L323 HydrophobicContact CD1-CB 4.06Å
314	D	98.1	Very high	97.9	Very high	102 Å²	102	49.2 Å²	49.2	55%	0.545	29%	0.294	S	S	.	.	H	α-helix	trans	-61.9	-41.6	173.9	-74.4	-17.3	0	0	0	111.2	N310 L316 G317	N310-D314 WeakPolarHBondContact O-CB 3.31Å; N310-D314 PolarHBondContact O-N 3.43Å; D314-L316 PolarHBondContact O-N 3.25Å; D314-G317 PolarHBondContact O-N 3.29Å
315	S	97.4	Very high	97.9	Very high	97 Å²	97	52.9 Å²	52.9	68%	0.678	31%	0.31	S	S	*	.	H	α-helix	trans	-63.7	-26	176.7	79.4	0	0	0	0	113.6	D311 V312 L313	D311-S315 WeakPolarHBondContact O-CB 3.44Å; D311-S315 PolarHBondContact O-N 3.43Å; D311-S315 VanDerWaalsContact O-N 3.08Å; V312-S315 PolarHBondContact O-N 3.01Å; V312-S315 PolarHBondContact O-OG 2.84Å; L313-S315 VanDerWaalsContact C-N 3.33Å; L313-S315 PolarHBondContact O-N 2.99Å
316	L	96.2	Very high	97.9	Very high	46 Å²	46	56.8 Å²	56.8	24%	0.241	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-4.8	174.8	-64.4	174.4	0	0	0	112.8	F277 V312 L313 D314 I318	F277-L316 HydrophobicContact CD1-CD1 4.21Å; F277-L316 HydrophobicContact CE1-CD1 4.19Å; V312-L316 HydrophobicContact CG1-CD1 4.35Å; V312-L316 WeakPolarHBondContact O-CG 3.3Å; V312-L316 PolarHBondContact O-N 2.99Å; L313-L316 CarbonylContact O-C 3.57Å; L313-L316 PolarHBondContact O-N 2.88Å; L313-L316 VanDerWaalsContact O-N 3.13Å; D314-L316 PolarHBondContact O-N 3.25Å; L316-I318 HydrophobicContact CB-CD1 3.9Å; L316-I318 HydrophobicContact CB-CG1 4.1Å; L316-I318 HydrophobicContact CD1-CD1 4.41Å
317	G	96.5	Very high	97.9	Very high	74 Å²	74	55.1 Å²	55.1	76%	0.763	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	31.7	-175.3	0	0	0	0	0	113.5	L313 D314	L313-G317 PolarHBondContact O-N 3.36Å; L313-G317 VanDerWaalsContact O-N 3.15Å; D314-G317 PolarHBondContact O-N 3.29Å
318	I	97.1	Very high	97.8	Very high	13 Å²	13	51 Å²	51	7%	0.067	30%	0.303	C	S	.	.			trans	-116.7	141.7	-176.9	-62	173	0	0	0	109	W260 L269 F277 L313 L316 L322	W260-I318 HydrophobicContact CB-CD1 4.11Å; W260-I318 HydrophobicContact CB-CG1 4.37Å; W260-I318 HydrophobicContact CD2-CD1 4.12Å; W260-I318 HydrophobicContact CG-CD1 3.7Å; W260-I318 HydrophobicContact CG-CG1 4.47Å; L269-I318 HydrophobicContact CD1-CD1 4.05Å; L269-I318 HydrophobicContact CD2-CD1 4.22Å; L269-I318 HydrophobicContact CD2-CG1 4.11Å; L269-I318 HydrophobicContact CD2-CG2 4.41Å; F277-I318 HydrophobicContact CD1-CD1 4.3Å; F277-I318 HydrophobicContact CE1-CD1 3.38Å; F277-I318 HydrophobicContact CZ-CD1 3.76Å; L313-I318 CarbonylContact C-O 3.58Å; L313-I318 HydrophobicContact CD2-CB 4.18Å; L313-I318 HydrophobicContact CD2-CG2 4.04Å; L313-I318 PolarHBondContact O-N 3.05Å; L313-I318 VanDerWaalsContact O-O 3.13Å; L316-I318 HydrophobicContact CB-CD1 3.9Å; L316-I318 HydrophobicContact CB-CG1 4.1Å; L316-I318 HydrophobicContact CD1-CD1 4.41Å; I318-L322 HydrophobicContact CG2-CB 4.06Å; I318-L322 HydrophobicContact CG2-CD2 3.51Å; I318-L322 HydrophobicContact CG2-CG 4.42Å
319	S	97.1	Very high	97.8	Very high	65 Å²	65	58.4 Å²	58.4	46%	0.455	33%	0.331	S	S	.	.			trans	-61.5	133.2	175.9	-177.1	0	0	0	0	111.3	D321 L322	S319-D321 PolarHBondContact O-N 2.96Å; S319-D321 VanDerWaalsContact O-N 3.1Å; S319-D321 PolarHBondContact OG-N 3.08Å; S319-D321 PolarHBondContact OG-OD2 3.43Å; S319-L322 WeakPolarHBondContact O-CB 2.98Å; S319-L322 PolarHBondContact O-N 2.79Å
320	P	96.9	Very high	97.8	Very high	26 Å²	26	61.1 Å²	61.1	17%	0.169	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-54.8	-26.5	172.7	-27.7	35.8	0	0	0	114.3	L322 L323	P320-L322 PolarHBondContact O-N 2.88Å; P320-L322 VanDerWaalsContact O-N 3.1Å; P320-L323 PolarHBondContact O-N 3.04Å; P320-L323 VanDerWaalsContact O-N 3.08Å; P320-L323 VanDerWaalsContact O-O 3.11Å
321	D	96.8	Very high	97.7	Very high	131 Å²	131	59 Å²	59	70%	0.701	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-62	-16.7	177.8	-63.3	-27.8	0	0	0	113.6	S319 L323	S319-D321 PolarHBondContact O-N 2.96Å; S319-D321 VanDerWaalsContact O-N 3.1Å; S319-D321 PolarHBondContact OG-N 3.08Å; S319-D321 PolarHBondContact OG-OD2 3.43Å; D321-L323 PolarHBondContact O-N 3.38Å
322	L	97.1	Very high	97.7	Very high	58 Å²	58	55.8 Å²	55.8	30%	0.304	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-62.8	-28.6	174.7	-170.9	67.9	0	0	0	111.9	L269 F277 I318 S319 P320	L269-L322 HydrophobicContact CD1-CD2 3.75Å; L269-L322 HydrophobicContact CG-CD2 4.44Å; F277-L322 HydrophobicContact CD2-CD2 3.56Å; F277-L322 HydrophobicContact CD2-CG 4.31Å; F277-L322 HydrophobicContact CE1-CD2 4.48Å; F277-L322 HydrophobicContact CE2-CD2 3.34Å; F277-L322 HydrophobicContact CE2-CG 4.41Å; F277-L322 HydrophobicContact CG-CD2 4.26Å; F277-L322 HydrophobicContact CZ-CD2 3.85Å; I318-L322 HydrophobicContact CG2-CB 4.06Å; I318-L322 HydrophobicContact CG2-CD2 3.51Å; I318-L322 HydrophobicContact CG2-CG 4.42Å; S319-L322 WeakPolarHBondContact O-CB 2.98Å; S319-L322 PolarHBondContact O-N 2.79Å; P320-L322 PolarHBondContact O-N 2.88Å; P320-L322 VanDerWaalsContact O-N 3.1Å
323	L	98.4	Very high	97.4	Very high	4 Å²	4	57.6 Å²	57.6	2%	0.021	33%	0.326	C	S	.	.	S	Bend	trans	-112.6	99.6	171.1	-172.5	64.4	0	0	0	109.4	L278 V281 R309 L313 P320 D321 F327	L278-L323 HydrophobicContact CB-CD1 4.12Å; L278-L323 HydrophobicContact CB-CD2 4.42Å; L278-L323 HydrophobicContact CD1-CD2 4.45Å; V281-L323 HydrophobicContact CG2-CD2 4.11Å; R309-L323 VanDerWaalsContact CD-O 3.25Å; R309-L323 WeakPolarHBondContact CD-O 3.41Å; R309-L323 HydrophobicContact CG-CB 4.22Å; R309-L323 HydrophobicContact CG-CD2 4.07Å; R309-L323 PolarHBondContact NH1-O 2.87Å; L313-L323 HydrophobicContact CD1-CB 4.06Å; P320-L323 PolarHBondContact O-N 3.04Å; P320-L323 VanDerWaalsContact O-N 3.08Å; P320-L323 VanDerWaalsContact O-O 3.11Å; D321-L323 PolarHBondContact O-N 3.38Å; L323-F327 HydrophobicContact CD1-CB 4.06Å; L323-F327 HydrophobicContact CD1-CG 4.3Å; L323-F327 HydrophobicContact CD2-CD1 3.98Å; L323-F327 HydrophobicContact CD2-CD2 4.15Å; L323-F327 HydrophobicContact CD2-CE1 4.07Å; L323-F327 HydrophobicContact CD2-CE2 4.23Å; L323-F327 HydrophobicContact CD2-CG 4Å; L323-F327 HydrophobicContact CD2-CZ 4.17Å; L323-F327 HydrophobicContact CG-CB 4.18Å; L323-F327 HydrophobicContact CG-CD1 3.88Å; L323-F327 HydrophobicContact CG-CE1 4.38Å; L323-F327 HydrophobicContact CG-CG 3.96Å
324	P	98	Very high	97.2	Very high	64 Å²	64	59.6 Å²	59.6	42%	0.416	34%	0.335	S	S	.	.			trans	-54.5	139.5	-177	-29.4	37.7	0	0	0	112.9	D326 F327	P324-D326 WeakPolarHBondContact CB-OD1 3.43Å; P324-D326 PolarHBondContact O-N 2.97Å; P324-F327 WeakPolarHBondContact O-CB 3.37Å; P324-F327 WeakPolarHBondContact O-CD1 3.44Å; P324-F327 PolarHBondContact O-N 3Å
325	E	98.3	Very high	97.1	Very high	123 Å²	123	57.6 Å²	57.6	58%	0.575	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-56.4	-27.4	-175.6	-71.8	-174.1	173.3	0	0	114.5	L306 R309 F327	L306-E325 HydrophobicContact CD2-CB 3.91Å; L306-E325 HydrophobicContact CD2-CG 3.92Å; R309-E325 IonicContact NH2-OE1 3.56Å; R309-E325 PolarHBondContact NH2-OE1 3.48Å; E325-F327 PolarHBondContact O-N 3.44Å
326	D	98	Very high	97.1	Very high	82 Å²	82	55.1 Å²	55.1	44%	0.439	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-72.2	-3.8	178.6	67.1	-39	0	0	0	113.5	P324 V328 R329 Y330	P324-D326 WeakPolarHBondContact CB-OD1 3.43Å; P324-D326 PolarHBondContact O-N 2.97Å; D326-V328 PolarHBondContact O-N 3.46Å; D326-V328 VanDerWaalsContact O-N 3.13Å; D326-R329 WeakPolarHBondContact O-CB 3.43Å; D326-R329 WeakPolarHBondContact O-CG 3.33Å; D326-R329 PolarHBondContact O-N 2.85Å; D326-Y330 HydrophobicContact CB-CE2 4.49Å; D326-Y330 WeakPolarHBondContact O-CD2 3.19Å; D326-Y330 WeakPolarHBondContact O-CE2 3.42Å
327	F	98.6	Very high	97.2	Very high	10 Å²	10	57.4 Å²	57.4	4%	0.044	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-53	-35	175.7	84.5	-90.6	0	0	0	112.8	L278 V281 L305 L306 R309 L323 P324 E325 R329 Y330 C331	L278-F327 HydrophobicContact CD1-CD2 3.41Å; L278-F327 VanDerWaalsContact CD1-CD2 3.41Å; L278-F327 HydrophobicContact CD1-CE2 3.86Å; L278-F327 HydrophobicContact CD1-CG 4.35Å; V281-F327 HydrophobicContact CG1-CE2 4.15Å; V281-F327 HydrophobicContact CG1-CZ 4.07Å; L305-F327 HydrophobicContact CB-CE2 4.19Å; L305-F327 HydrophobicContact CB-CZ 3.93Å; L306-F327 HydrophobicContact CD2-CE1 4.02Å; R309-F327 HydrophobicContact CB-CE1 4.11Å; R309-F327 HydrophobicContact CB-CZ 4.2Å; R309-F327 HydrophobicContact CG-CE1 4.36Å; L323-F327 HydrophobicContact CD1-CB 4.06Å; L323-F327 HydrophobicContact CD1-CG 4.3Å; L323-F327 HydrophobicContact CD2-CD1 3.98Å; L323-F327 HydrophobicContact CD2-CD2 4.15Å; L323-F327 HydrophobicContact CD2-CE1 4.07Å; L323-F327 HydrophobicContact CD2-CE2 4.23Å; L323-F327 HydrophobicContact CD2-CG 4Å; L323-F327 HydrophobicContact CD2-CZ 4.17Å; L323-F327 HydrophobicContact CG-CB 4.18Å; L323-F327 HydrophobicContact CG-CD1 3.88Å; L323-F327 HydrophobicContact CG-CE1 4.38Å; L323-F327 HydrophobicContact CG-CG 3.96Å; P324-F327 WeakPolarHBondContact O-CB 3.37Å; P324-F327 WeakPolarHBondContact O-CD1 3.44Å; P324-F327 PolarHBondContact O-N 3Å; E325-F327 PolarHBondContact O-N 3.44Å; F327-R329 PolarHBondContact O-N 3.06Å; F327-R329 VanDerWaalsContact O-N 3.08Å; F327-Y330 PolarHBondContact O-N 3.1Å; F327-C331 PolarHBondContact O-SG 3.4Å; F327-C331 VanDerWaalsContact O-SG 3.4Å
328	V	98.5	Very high	97.2	Very high	10 Å²	10	54.1 Å²	54.1	6%	0.061	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-60.6	-20.2	179.5	-59.5	0	0	0	0	112.7	L305 L306 D326 Y330 F332	L305-V328 HydrophobicContact CB-CG1 3.83Å; L305-V328 HydrophobicContact CD1-CG1 4.22Å; L306-V328 HydrophobicContact CD2-CG1 4.3Å; L306-V328 HydrophobicContact CG-CG1 4.09Å; D326-V328 PolarHBondContact O-N 3.46Å; D326-V328 VanDerWaalsContact O-N 3.13Å; V328-Y330 VanDerWaalsContact C-N 3.26Å; V328-Y330 PolarHBondContact O-N 2.94Å; V328-F332 HydrophobicContact CB-CE2 4.37Å; V328-F332 WeakPolarHBondContact O-CD2 3.47Å; V328-F332 WeakPolarHBondContact O-CE2 3.33Å
329	R	98.3	Very high	97.3	Very high	161 Å²	161	53.6 Å²	53.6	61%	0.608	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-76.7	-15.9	178.6	-58	172.7	65.3	102.2	4.1	113.1	D326 F327	D326-R329 WeakPolarHBondContact O-CB 3.43Å; D326-R329 WeakPolarHBondContact O-CG 3.33Å; D326-R329 PolarHBondContact O-N 2.85Å; F327-R329 PolarHBondContact O-N 3.06Å; F327-R329 VanDerWaalsContact O-N 3.08Å
330	Y	98.1	Very high	97.4	Very high	65 Å²	65	52.4 Å²	52.4	26%	0.255	28%	0.282	S	S	.	.	S	Bend	trans	-126.1	7.7	-165.3	-51	-63.9	0	0	0	113.7	Y197 H198 D326 F327 V328 M370	Y197-Y330 HydrophobicContact CD2-CD1 4.34Å; Y197-Y330 PolarHBondContact N-O 2.91Å; H198-Y330 PolarHBondContact ND1-O 3.22Å; H198-Y330 VanDerWaalsContact ND1-O 3.07Å; D326-Y330 HydrophobicContact CB-CE2 4.49Å; D326-Y330 WeakPolarHBondContact O-CD2 3.19Å; D326-Y330 WeakPolarHBondContact O-CE2 3.42Å; F327-Y330 PolarHBondContact O-N 3.1Å; V328-Y330 VanDerWaalsContact C-N 3.26Å; V328-Y330 PolarHBondContact O-N 2.94Å; Y330-M370 HydrophobicContact CD1-CE 3.82Å; Y330-M370 HydrophobicContact CD1-CG 3.96Å; Y330-M370 HydrophobicContact CD1-SD 3.78Å; Y330-M370 HydrophobicContact CE1-CE 3.48Å; Y330-M370 VanDerWaalsContact CE1-CE 3.48Å; Y330-M370 HydrophobicContact CE1-SD 4.08Å; Y330-M370 HydrophobicContact CG-CG 4.19Å
331	C	97.9	Very high	97.5	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.007	29%	0.291	C	S	.	.	S	Bend	trans	-122.6	21.7	-175.1	66.5	0	0	0	0	115.1	F195 L278 L282 F327	F195-C331 HydrophobicContact CB-CB 4.32Å; F195-C331 WeakPolarHBondContact CB-O 3.33Å; F195-C331 WeakPolarHBondContact O-CA 3.29Å; L278-C331 HydrophobicContact CD1-CB 4.17Å; L282-C331 HydrophobicContact CD1-CB 4.39Å; F327-C331 PolarHBondContact O-SG 3.4Å; F327-C331 VanDerWaalsContact O-SG 3.4Å
332	F	96.9	Very high	97.6	Very high	21 Å²	21	47.7 Å²	47.7	9%	0.092	26%	0.258	C	S	.	.			trans	-105.1	144.6	-179	-80.4	-107.4	0	0	0	112.7	G196 P293 S294 Y298 D301 L305 V328	G196-F332 WeakPolarHBondContact CA-O 3.2Å; G196-F332 PolarHBondContact N-O 3.19Å; P293-F332 HydrophobicContact CB-CD1 3.68Å; P293-F332 HydrophobicContact CB-CD2 4.42Å; P293-F332 HydrophobicContact CB-CE1 3.45Å; P293-F332 VanDerWaalsContact CB-CE1 3.45Å; P293-F332 HydrophobicContact CB-CE2 4.22Å; P293-F332 HydrophobicContact CB-CG 4.19Å; P293-F332 HydrophobicContact CB-CZ 3.76Å; S294-F332 WeakPolarHBondContact O-CD1 3.18Å; S294-F332 WeakPolarHBondContact O-CE1 3.3Å; Y298-F332 AromaticContact CD2-CD1 4Å; Y298-F332 HydrophobicContact CD2-CD1 4Å; Y298-F332 HydrophobicContact CD2-CD2 4.09Å; Y298-F332 AromaticContact CD2-CE1 3.82Å; Y298-F332 HydrophobicContact CD2-CE1 3.82Å; Y298-F332 AromaticContact CD2-CE2 3.93Å; Y298-F332 HydrophobicContact CD2-CE2 3.93Å; Y298-F332 HydrophobicContact CD2-CG 4.11Å; Y298-F332 AromaticContact CD2-CZ 3.77Å; Y298-F332 HydrophobicContact CD2-CZ 3.77Å; Y298-F332 HydrophobicContact CE2-CD2 4.02Å; Y298-F332 AromaticContact CE2-CE2 3.87Å; Y298-F332 HydrophobicContact CE2-CE2 3.87Å; Y298-F332 HydrophobicContact CE2-CG 4.45Å; Y298-F332 HydrophobicContact CE2-CZ 4.15Å; D301-F332 HydrophobicContact CB-CE1 3.75Å; D301-F332 HydrophobicContact CB-CZ 3.82Å; L305-F332 HydrophobicContact CD1-CE2 3.71Å; L305-F332 HydrophobicContact CD1-CZ 3.81Å; V328-F332 HydrophobicContact CB-CE2 4.37Å; V328-F332 WeakPolarHBondContact O-CD2 3.47Å; V328-F332 WeakPolarHBondContact O-CE2 3.33Å
333	S	93.6	Very high	97.7	Very high	57 Å²	57	44.9 Å²	44.9	40%	0.399	24%	0.243	S	C	.	.	S	Bend	trans	62.5	176.4	176.6	-52.4	0	0	0	0	114.4	G196	G196-S333 PolarHBondContact N-O 3.37Å
334	E	94.1	Very high	97.7	Very high	41 Å²	41	46 Å²	46	19%	0.192	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-102.6	117.2	174.2	-78.4	175	-119.4	0	0	110.5	K81 G82	K81-E334 WeakPolarHBondContact CB-OE1 3.42Å; K81-E334 WeakPolarHBondContact CB-OE2 3.46Å; K81-E334 WeakPolarHBondContact CD-OE1 3.43Å; K81-E334 WeakPolarHBondContact CE-OE1 3.21Å; K81-E334 IonicContact NZ-OE1 3.51Å; K81-E334 PolarHBondContact NZ-OE1 2.85Å; G82-E334 WeakPolarHBondContact CA-OE2 3.34Å; G82-E334 PolarHBondContact N-OE2 3.18Å
335	M	95.3	Very high	97.7	Very high	60 Å²	60	45.4 Å²	45.4	30%	0.296	25%	0.249	S	C	.	.			trans	-92.3	124.5	176.7	-58.8	-168	90.7	0	0	110.3	G196 Y197 P337 V338 C339	G196-M335 WeakPolarHBondContact O-CG 3.42Å; Y197-M335 HydrophobicContact CD1-SD 3.95Å; Y197-M335 HydrophobicContact CD2-SD 3.65Å; Y197-M335 HydrophobicContact CE1-CE 4.05Å; Y197-M335 HydrophobicContact CE1-SD 3.86Å; Y197-M335 HydrophobicContact CE2-CE 3.9Å; Y197-M335 HydrophobicContact CE2-SD 3.55Å; Y197-M335 VanDerWaalsContact CE2-SD 3.55Å; Y197-M335 HydrophobicContact CG-SD 3.85Å; M335-P337 VanDerWaalsContact C-CD 3.49Å; M335-V338 HydrophobicContact CB-CB 4.27Å; M335-V338 HydrophobicContact CB-CG2 3.9Å; M335-V338 PolarHBondContact O-N 3.25Å; M335-C339 PolarHBondContact O-N 3.44Å; M335-C339 PolarHBondContact O-SG 3.28Å
336	A	96.9	Very high	97.8	Very high	45 Å²	45	39.6 Å²	39.6	37%	0.372	22%	0.221	S	C	.	.	H	α-helix	trans	-53.2	-42.5	-178.8	0	0	0	0	0	114.2	A114 V338 C339 A340	A114-A336 HydrophobicContact CB-CB 4.46Å; A336-V338 VanDerWaalsContact C-N 3.28Å; A336-V338 PolarHBondContact O-N 3.21Å; A336-C339 PolarHBondContact O-N 3.34Å; A336-A340 PolarHBondContact O-N 3.17Å
337	P	97.9	Very high	97.8	Very high	95 Å²	95	35.8 Å²	35.8	62%	0.617	20%	0.202	S	C	*	.	H	α-helix	trans	-61.2	-36.5	176.1	-24.2	35.4	0	0	0	113.3	M335 A340 V341	M335-P337 VanDerWaalsContact C-CD 3.49Å; P337-A340 PolarHBondContact O-N 3.03Å; P337-V341 WeakPolarHBondContact O-CG2 3.48Å; P337-V341 PolarHBondContact O-N 3.46Å; P337-V341 VanDerWaalsContact O-N 3.08Å
338	V	98.4	Very high	97.8	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.03	22%	0.218	C	C	.	.	H	α-helix	trans	-74.4	-40.5	-179.9	-174.5	0	0	0	0	110.3	V194 G196 M335 A336 A340 V341 V342 F367	V194-V338 HydrophobicContact CB-CG1 4.35Å; V194-V338 HydrophobicContact CG1-CB 3.78Å; V194-V338 HydrophobicContact CG1-CG1 3.54Å; V194-V338 HydrophobicContact CG2-CG1 3.95Å; G196-V338 WeakPolarHBondContact O-CG2 3.46Å; M335-V338 HydrophobicContact CB-CB 4.27Å; M335-V338 HydrophobicContact CB-CG2 3.9Å; M335-V338 PolarHBondContact O-N 3.25Å; A336-V338 VanDerWaalsContact C-N 3.28Å; A336-V338 PolarHBondContact O-N 3.21Å; V338-A340 VanDerWaalsContact C-N 3.27Å; V338-A340 PolarHBondContact O-N 3.38Å; V338-V341 PolarHBondContact O-N 2.96Å; V338-V342 HydrophobicContact CG1-CG2 4.06Å; V338-V342 WeakPolarHBondContact O-CB 3.36Å; V338-V342 WeakPolarHBondContact O-CG2 3.49Å; V338-V342 PolarHBondContact O-N 3.27Å; V338-F367 HydrophobicContact CG1-CD1 3.93Å; V338-F367 HydrophobicContact CG1-CE1 4.15Å; V338-F367 HydrophobicContact CG2-CE1 4.33Å
339	C	98.5	Very high	97.8	Very high	1 Å²	1	39 Å²	39	1%	0.007	22%	0.216	C	C	.	.	H	α-helix	trans	-55.9	-42.7	170.8	-63	0	0	0	0	111.4	E86 M335 A336 G343	E86-C339 HydrophobicContact CG-CB 4.25Å; M335-C339 PolarHBondContact O-N 3.44Å; M335-C339 PolarHBondContact O-SG 3.28Å; A336-C339 PolarHBondContact O-N 3.34Å; C339-G343 VanDerWaalsContact O-CA 3.31Å; C339-G343 WeakPolarHBondContact O-CA 3.4Å; C339-G343 PolarHBondContact O-N 2.91Å
340	A	98.6	Very high	97.8	Very high	40 Å²	40	31.3 Å²	31.3	33%	0.331	19%	0.187	S	C	.	.	H	α-helix	trans	-66.1	-43.5	178.1	0	0	0	0	0	112.6	A336 P337 V338 G344	A336-A340 PolarHBondContact O-N 3.17Å; P337-A340 PolarHBondContact O-N 3.03Å; V338-A340 VanDerWaalsContact C-N 3.27Å; V338-A340 PolarHBondContact O-N 3.38Å; A340-G344 PolarHBondContact O-N 3.34Å
341	V	98.8	Very high	97.9	Very high	58 Å²	58	28.5 Å²	28.5	35%	0.352	18%	0.177	S	C	.	.	H	α-helix	trans	-63.9	-55.8	177.1	171.7	0	0	0	0	110.7	P337 V338 G344 I345 F367	P337-V341 WeakPolarHBondContact O-CG2 3.48Å; P337-V341 PolarHBondContact O-N 3.46Å; P337-V341 VanDerWaalsContact O-N 3.08Å; V338-V341 PolarHBondContact O-N 2.96Å; V341-G344 PolarHBondContact O-N 3.38Å; V341-I345 WeakPolarHBondContact O-CG1 3.36Å; V341-I345 PolarHBondContact O-N 2.78Å; V341-F367 HydrophobicContact CB-CE1 4.23Å; V341-F367 HydrophobicContact CB-CZ 4.29Å; V341-F367 HydrophobicContact CG1-CD1 4.12Å; V341-F367 HydrophobicContact CG1-CD2 3.79Å; V341-F367 HydrophobicContact CG1-CE1 4.08Å; V341-F367 HydrophobicContact CG1-CE2 3.78Å; V341-F367 HydrophobicContact CG1-CG 3.96Å; V341-F367 HydrophobicContact CG1-CZ 3.91Å; V341-F367 HydrophobicContact CG2-CE1 4.42Å; V341-F367 HydrophobicContact CG2-CZ 4.14Å
342	V	98.9	Very high	97.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.8	-42.5	-175.5	178.6	0	0	0	0	110.6	L83 V194 T201 V338 G344 I345 L346 F367	L83-V342 HydrophobicContact CD1-CB 3.98Å; L83-V342 HydrophobicContact CD1-CG1 3.82Å; L83-V342 HydrophobicContact CD2-CG1 4.33Å; V194-V342 HydrophobicContact CG2-CB 4.05Å; V194-V342 HydrophobicContact CG2-CG1 4.34Å; V194-V342 HydrophobicContact CG2-CG2 4.08Å; T201-V342 HydrophobicContact CG2-CG1 3.7Å; V338-V342 HydrophobicContact CG1-CG2 4.06Å; V338-V342 WeakPolarHBondContact O-CB 3.36Å; V338-V342 WeakPolarHBondContact O-CG2 3.49Å; V338-V342 PolarHBondContact O-N 3.27Å; V342-G344 VanDerWaalsContact C-N 3.32Å; V342-G344 PolarHBondContact O-N 3.37Å; V342-I345 PolarHBondContact O-N 2.75Å; V342-L346 VanDerWaalsContact O-CB 3.31Å; V342-L346 WeakPolarHBondContact O-CB 3.48Å; V342-L346 PolarHBondContact O-N 3.29Å; V342-F367 HydrophobicContact CG2-CB 4.22Å; V342-F367 HydrophobicContact CG2-CD1 4.35Å
343	G	98.8	Very high	98	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66.5	-31.6	176.9	0	0	0	0	0	113.3	L83 N90 C339 A347	L83-G343 VanDerWaalsContact CD1-N 3.32Å; N90-G343 PolarHBondContact ND2-O 2.74Å; C339-G343 VanDerWaalsContact O-CA 3.31Å; C339-G343 WeakPolarHBondContact O-CA 3.4Å; C339-G343 PolarHBondContact O-N 2.91Å; G343-A347 WeakPolarHBondContact O-CB 3.46Å; G343-A347 PolarHBondContact O-N 3.41Å
344	G	98.8	Very high	98.2	Very high	28 Å²	28	26.2 Å²	26.2	29%	0.289	16%	0.16	S	C	.	.	H	α-helix	trans	-64.6	-51.3	170.4	0	0	0	0	0	112.4	N90 A340 V341 V342 Q348	N90-G344 WeakPolarHBondContact ND2-CA 3.34Å; A340-G344 PolarHBondContact O-N 3.34Å; V341-G344 PolarHBondContact O-N 3.38Å; V342-G344 VanDerWaalsContact C-N 3.32Å; V342-G344 PolarHBondContact O-N 3.37Å; G344-Q348 WeakPolarHBondContact O-CB 3.17Å; G344-Q348 PolarHBondContact O-N 3.48Å
345	I	98.9	Very high	98.4	Very high	51 Å²	51	24.4 Å²	24.4	26%	0.262	15%	0.152	S	C	.	.	H	α-helix	trans	-62.3	-49.3	178.4	-63.7	-63.1	0	0	0	110.8	V341 V342 A347 Q348 E349 F365	V341-I345 WeakPolarHBondContact O-CG1 3.36Å; V341-I345 PolarHBondContact O-N 2.78Å; V342-I345 PolarHBondContact O-N 2.75Å; I345-A347 PolarHBondContact O-N 3.13Å; I345-Q348 PolarHBondContact O-N 2.78Å; I345-Q348 VanDerWaalsContact O-N 3.17Å; I345-E349 WeakPolarHBondContact O-CG 3.49Å; I345-E349 PolarHBondContact O-N 2.93Å; I345-F365 HydrophobicContact CB-CD1 4.41Å; I345-F365 HydrophobicContact CB-CE1 4.18Å; I345-F365 HydrophobicContact CG1-CE1 4Å; I345-F365 HydrophobicContact CG1-CZ 3.98Å; I345-F365 HydrophobicContact CG2-CD1 3.85Å; I345-F365 HydrophobicContact CG2-CD2 4.43Å; I345-F365 HydrophobicContact CG2-CE1 4.05Å; I345-F365 HydrophobicContact CG2-CG 4.04Å; I345-F365 HydrophobicContact CG2-CZ 4.42Å
346	L	98.9	Very high	98.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.6	-44.9	-177.8	-169.5	42.1	0	0	0	112.2	I87 F190 T201 V342 Q348 E349 I350	I87-L346 HydrophobicContact CD1-CB 4.45Å; I87-L346 HydrophobicContact CD1-CD2 3.7Å; I87-L346 HydrophobicContact CD1-CG 4.18Å; I87-L346 HydrophobicContact CG1-CB 4.47Å; F190-L346 HydrophobicContact CB-CD1 4.01Å; F190-L346 HydrophobicContact CD1-CD1 3.94Å; F190-L346 HydrophobicContact CG-CD1 4.34Å; T201-L346 HydrophobicContact CG2-CB 3.71Å; T201-L346 HydrophobicContact CG2-CD1 4.13Å; T201-L346 HydrophobicContact CG2-CD2 4.05Å; T201-L346 HydrophobicContact CG2-CG 4.18Å; V342-L346 VanDerWaalsContact O-CB 3.31Å; V342-L346 WeakPolarHBondContact O-CB 3.48Å; V342-L346 PolarHBondContact O-N 3.29Å; L346-Q348 VanDerWaalsContact C-N 3.3Å; L346-Q348 PolarHBondContact O-N 2.84Å; L346-E349 PolarHBondContact O-N 3.36Å; L346-I350 HydrophobicContact CG-CD1 4.43Å; L346-I350 VanDerWaalsContact O-CG1 3.32Å; L346-I350 WeakPolarHBondContact O-CG1 3.38Å; L346-I350 PolarHBondContact O-N 3.44Å
347	A	98.9	Very high	98.5	Very high	3 Å²	3	24.2 Å²	24.2	3%	0.025	14%	0.141	C	C	.	.	H	α-helix	trans	-63.3	-37.4	175.6	0	0	0	0	0	112.2	N90 L91 G343 I345 I350 V351	N90-A347 HydrophobicContact CB-CB 3.39Å; L91-A347 HydrophobicContact CD2-CB 4.28Å; L91-A347 HydrophobicContact CG-CB 4.4Å; G343-A347 WeakPolarHBondContact O-CB 3.46Å; G343-A347 PolarHBondContact O-N 3.41Å; I345-A347 PolarHBondContact O-N 3.13Å; A347-I350 PolarHBondContact O-N 3.38Å; A347-V351 WeakPolarHBondContact O-CG2 3.46Å; A347-V351 PolarHBondContact O-N 3.42Å
348	Q	98.8	Very high	98.5	Very high	81 Å²	81	22.4 Å²	22.4	38%	0.379	13%	0.126	S	C	.	.	H	α-helix	trans	-66.7	-38.2	176.7	-172.9	59.9	67	0	0	112.2	G344 I345 L346 V351 K352	G344-Q348 WeakPolarHBondContact O-CB 3.17Å; G344-Q348 PolarHBondContact O-N 3.48Å; I345-Q348 PolarHBondContact O-N 2.78Å; I345-Q348 VanDerWaalsContact O-N 3.17Å; L346-Q348 VanDerWaalsContact C-N 3.3Å; L346-Q348 PolarHBondContact O-N 2.84Å; Q348-V351 PolarHBondContact O-N 3.11Å; Q348-K352 WeakPolarHBondContact O-CG 3.25Å; Q348-K352 PolarHBondContact O-N 3.07Å
349	E	98.9	Very high	98.5	Very high	6 Å²	6	24.7 Å²	24.7	3%	0.028	14%	0.142	C	C	.	.	H	α-helix	trans	-63.6	-41.1	172.9	-66	-47.6	116.4	0	0	111.8	F190 I345 L346 V351 K352 A353 P360 H361	F190-E349 HydrophobicContact CE1-CB 4.01Å; I345-E349 WeakPolarHBondContact O-CG 3.49Å; I345-E349 PolarHBondContact O-N 2.93Å; L346-E349 PolarHBondContact O-N 3.36Å; E349-V351 PolarHBondContact O-N 3.4Å; E349-K352 PolarHBondContact O-N 2.99Å; E349-K352 WeakPolarHBondContact OE1-CE 3.48Å; E349-K352 IonicContact OE1-NZ 3.65Å; E349-K352 PolarHBondContact OE1-NZ 3.33Å; E349-K352 WeakPolarHBondContact OE2-CE 3.4Å; E349-K352 IonicContact OE2-NZ 3.64Å; E349-K352 PolarHBondContact OE2-NZ 3.18Å; E349-A353 WeakPolarHBondContact O-CB 3.19Å; E349-A353 PolarHBondContact O-N 2.97Å; E349-P360 WeakPolarHBondContact OE2-CA 3.24Å; E349-H361 IonicContact OE1-CE1 3.22Å; E349-H361 PolarHBondContact OE1-CE1 3.17Å; E349-H361 IonicContact OE1-CG 2.76Å; E349-H361 IonicContact OE1-ND1 3.43Å; E349-H361 PolarHBondContact OE1-ND1 3.34Å; E349-H361 IonicContact OE1-NE2 2.71Å; E349-H361 IonicContact OE2-CG 3.6Å; E349-H361 PolarHBondContact OE2-N 3.46Å; E349-H361 IonicContact OE2-ND1 2.78Å
350	I	98.9	Very high	98.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.1	-46.8	174.3	-66.1	165.2	0	0	0	110.3	V75 I87 L91 A164 C166 F190 L346 A347 A353 L354	V75-I350 HydrophobicContact CG2-CG2 4.38Å; I87-I350 HydrophobicContact CG2-CD1 4.21Å; L91-I350 HydrophobicContact CD1-CD1 4.2Å; L91-I350 HydrophobicContact CD1-CG2 4.4Å; L91-I350 HydrophobicContact CD2-CB 4.05Å; L91-I350 HydrophobicContact CD2-CG2 3.69Å; A164-I350 HydrophobicContact CB-CG2 4.49Å; C166-I350 HydrophobicContact CB-CD1 3.88Å; F190-I350 HydrophobicContact CB-CG1 4.44Å; F190-I350 HydrophobicContact CD1-CG1 3.99Å; F190-I350 HydrophobicContact CD2-CD1 4.47Å; F190-I350 HydrophobicContact CD2-CG1 3.67Å; F190-I350 HydrophobicContact CE1-CG1 4.08Å; F190-I350 HydrophobicContact CE2-CB 4.36Å; F190-I350 HydrophobicContact CE2-CG1 3.76Å; F190-I350 HydrophobicContact CG-CD1 4.44Å; F190-I350 HydrophobicContact CG-CG1 3.77Å; F190-I350 HydrophobicContact CZ-CB 4.4Å; F190-I350 HydrophobicContact CZ-CG1 3.95Å; L346-I350 HydrophobicContact CG-CD1 4.43Å; L346-I350 VanDerWaalsContact O-CG1 3.32Å; L346-I350 WeakPolarHBondContact O-CG1 3.38Å; L346-I350 PolarHBondContact O-N 3.44Å; A347-I350 PolarHBondContact O-N 3.38Å; I350-A353 PolarHBondContact O-N 3.24Å; I350-L354 HydrophobicContact CG2-CD1 3.7Å; I350-L354 HydrophobicContact CG2-CG 4.26Å; I350-L354 WeakPolarHBondContact O-CB 3.32Å; I350-L354 VanDerWaalsContact O-CG 3.3Å; I350-L354 WeakPolarHBondContact O-CG 3.25Å; I350-L354 PolarHBondContact O-N 3.42Å
351	V	98.8	Very high	98.5	Very high	6 Å²	6	26.2 Å²	26.2	4%	0.036	14%	0.143	C	C	.	.	H	α-helix	trans	-61.8	-44.7	178.2	170	0	0	0	0	111.7	W62 L70 L91 A94 A347 Q348 E349 A353 S355	W62-V351 HydrophobicContact CE3-CG1 4.22Å; W62-V351 HydrophobicContact CH2-CG1 3.78Å; W62-V351 HydrophobicContact CZ2-CG1 4.33Å; W62-V351 HydrophobicContact CZ3-CG1 3.72Å; L70-V351 HydrophobicContact CD1-CG1 4.45Å; L70-V351 HydrophobicContact CD1-CG2 4.26Å; L70-V351 HydrophobicContact CD2-CG1 4.18Å; L70-V351 HydrophobicContact CD2-CG2 4.42Å; L91-V351 HydrophobicContact CD2-CG2 4.18Å; A94-V351 HydrophobicContact CB-CG2 4.01Å; A347-V351 WeakPolarHBondContact O-CG2 3.46Å; A347-V351 PolarHBondContact O-N 3.42Å; Q348-V351 PolarHBondContact O-N 3.11Å; E349-V351 PolarHBondContact O-N 3.4Å; V351-A353 PolarHBondContact O-N 3.27Å; V351-S355 WeakPolarHBondContact O-CB 3.23Å; V351-S355 PolarHBondContact O-N 2.96Å; V351-S355 PolarHBondContact O-OG 2.88Å
352	K	98.6	Very high	98.4	Very high	23 Å²	23	25.2 Å²	25.2	10%	0.1	14%	0.135	C	C	.	.	H	α-helix	trans	-59.7	-46.4	176.5	-75.6	-171.6	-62.9	176	0	111.4	Q348 E349 S355 Q356 R357 D358 P359	Q348-K352 WeakPolarHBondContact O-CG 3.25Å; Q348-K352 PolarHBondContact O-N 3.07Å; E349-K352 PolarHBondContact O-N 2.99Å; E349-K352 WeakPolarHBondContact OE1-CE 3.48Å; E349-K352 IonicContact OE1-NZ 3.65Å; E349-K352 PolarHBondContact OE1-NZ 3.33Å; E349-K352 WeakPolarHBondContact OE2-CE 3.4Å; E349-K352 IonicContact OE2-NZ 3.64Å; E349-K352 PolarHBondContact OE2-NZ 3.18Å; K352-S355 PolarHBondContact O-N 2.82Å; K352-S355 PolarHBondContact O-OG 2.93Å; K352-Q356 WeakPolarHBondContact O-CA 3.38Å; K352-Q356 PolarHBondContact O-N 3.1Å; K352-R357 WeakPolarHBondContact CB-O 3.4Å; K352-R357 PolarHBondContact O-N 3.23Å; K352-D358 HydrophobicContact CD-CB 4.02Å; K352-D358 HydrophobicContact CG-CB 4.44Å; K352-P359 PolarHBondContact NZ-O 3.4Å
353	A	98.8	Very high	98.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-68	-41.1	-178	0	0	0	0	0	112.8	K188 F190 L205 H208 E349 I350 V351 Q356	K188-A353 HydrophobicContact CD-CB 3.86Å; K188-A353 WeakPolarHBondContact CE-O 3.33Å; F190-A353 HydrophobicContact CE2-CB 4.49Å; F190-A353 HydrophobicContact CZ-CB 3.74Å; L205-A353 HydrophobicContact CD1-CB 3.84Å; L205-A353 HydrophobicContact CD2-CB 3.89Å; H208-A353 PolarHBondContact CE1-O 3.12Å; E349-A353 WeakPolarHBondContact O-CB 3.19Å; E349-A353 PolarHBondContact O-N 2.97Å; I350-A353 PolarHBondContact O-N 3.24Å; V351-A353 PolarHBondContact O-N 3.27Å; A353-Q356 PolarHBondContact O-N 3.36Å
354	L	98.7	Very high	98.4	Very high	7 Å²	7	25.4 Å²	25.4	4%	0.037	14%	0.136	C	C	.	.	H	α-helix	trans	-69.2	-40.1	176.5	-70.2	175.1	0	0	0	112.3	L70 V75 V96 D163 A164 K188 I350 Q356	L70-L354 HydrophobicContact CD1-CB 4.06Å; L70-L354 HydrophobicContact CD1-CD1 4.03Å; V75-L354 HydrophobicContact CG2-CD1 3.67Å; V96-L354 HydrophobicContact CG1-CD1 4.47Å; D163-L354 HydrophobicContact CB-CD2 3.78Å; A164-L354 HydrophobicContact CB-CD2 3.88Å; A164-L354 HydrophobicContact CB-CG 4.36Å; K188-L354 HydrophobicContact CD-CD2 4.08Å; I350-L354 HydrophobicContact CG2-CD1 3.7Å; I350-L354 HydrophobicContact CG2-CG 4.26Å; I350-L354 WeakPolarHBondContact O-CB 3.32Å; I350-L354 VanDerWaalsContact O-CG 3.3Å; I350-L354 WeakPolarHBondContact O-CG 3.25Å; I350-L354 PolarHBondContact O-N 3.42Å; L354-Q356 VanDerWaalsContact C-N 3.27Å; L354-Q356 PolarHBondContact O-N 3.08Å
355	S	98.1	Very high	98.4	Very high	4 Å²	4	24.7 Å²	24.7	3%	0.028	13%	0.125	C	C	.	.	H	α-helix	trans	-79.2	-9.4	177.3	68.4	0	0	0	0	113.5	R69 V351 K352 R357	R69-S355 PolarHBondContact NE-O 3.09Å; R69-S355 PolarHBondContact NH2-O 2.8Å; V351-S355 WeakPolarHBondContact O-CB 3.23Å; V351-S355 PolarHBondContact O-N 2.96Å; V351-S355 PolarHBondContact O-OG 2.88Å; K352-S355 PolarHBondContact O-N 2.82Å; K352-S355 PolarHBondContact O-OG 2.93Å; S355-R357 PolarHBondContact O-N 2.98Å
356	Q	98.3	Very high	98.4	Very high	77 Å²	77	22.4 Å²	22.4	36%	0.36	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	39.7	-175.2	-60	-176	-85.1	0	0	112.3	E209 F210 V211 K352 A353 L354	E209-Q356 PolarHBondContact O-NE2 3.33Å; F210-Q356 VanDerWaalsContact CA-O 3.32Å; F210-Q356 WeakPolarHBondContact CA-O 3.2Å; F210-Q356 WeakPolarHBondContact CB-O 3.3Å; V211-Q356 PolarHBondContact N-O 3.43Å; K352-Q356 WeakPolarHBondContact O-CA 3.38Å; K352-Q356 PolarHBondContact O-N 3.1Å; A353-Q356 PolarHBondContact O-N 3.36Å; L354-Q356 VanDerWaalsContact C-N 3.27Å; L354-Q356 PolarHBondContact O-N 3.08Å
357	R	96.1	Very high	98.4	Very high	24 Å²	24	23.7 Å²	23.7	9%	0.091	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-127.2	137.8	179.6	-174.3	-176.6	172.3	88.4	-4.4	109.2	W62 A66 V211 E213 M242 K352 S355	W62-R357 WeakPolarHBondContact O-CD 3.23Å; W62-R357 PolarHBondContact O-NE 2.73Å; A66-R357 HydrophobicContact CB-CB 4.49Å; V211-R357 HydrophobicContact CG2-CB 4.38Å; V211-R357 HydrophobicContact CG2-CG 4.31Å; V211-R357 WeakPolarHBondContact O-CA 3.44Å; E213-R357 IonicContact OE2-CZ 2.82Å; E213-R357 IonicContact OE2-NH2 2.81Å; E213-R357 PolarHBondContact OE2-NH2 3.07Å; M242-R357 VanDerWaalsContact CE-NH1 3.34Å; K352-R357 WeakPolarHBondContact CB-O 3.4Å; K352-R357 PolarHBondContact O-N 3.23Å; S355-R357 PolarHBondContact O-N 2.98Å
358	D	97.2	Very high	98.4	Very high	56 Å²	56	23.8 Å²	23.8	30%	0.299	12%	0.119	S	C	.	.	S	Bend	trans	67.1	152.6	-178.9	-56.2	-40.6	0	0	0	113.4	F210 V211 K352 P360	F210-D358 VanDerWaalsContact CD2-C 3.49Å; F210-D358 WeakPolarHBondContact CD2-O 3.38Å; V211-D358 PolarHBondContact O-N 2.81Å; K352-D358 HydrophobicContact CD-CB 4.02Å; K352-D358 HydrophobicContact CG-CB 4.44Å; D358-P360 WeakPolarHBondContact O-CD 3.26Å
359	P	97.8	Very high	98.4	Very high	54 Å²	54	21.3 Å²	21.3	35%	0.351	12%	0.115	S	C	.	.	P	Polyproline II helix	trans	-66.4	128.3	-179.3	24.6	-33.1	0	0	0	111.5	F210 K352	F210-P359 VanDerWaalsContact CE2-CA 3.43Å; F210-P359 HydrophobicContact CE2-CB 3.73Å; F210-P359 HydrophobicContact CE2-CG 4.42Å; F210-P359 HydrophobicContact CZ-CB 3.72Å; K352-P359 PolarHBondContact NZ-O 3.4Å
360	P	98.3	Very high	98.3	Very high	12 Å²	12	25.4 Å²	25.4	8%	0.078	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-72.3	152.2	168.1	30.4	-34.2	0	0	0	111	L205 F249 E349 D358	L205-P360 HydrophobicContact CD1-CB 3.74Å; L205-P360 HydrophobicContact CD1-CG 3.71Å; F249-P360 HydrophobicContact CE2-CG 3.96Å; F249-P360 HydrophobicContact CZ-CB 4.04Å; F249-P360 HydrophobicContact CZ-CG 3.74Å; E349-P360 WeakPolarHBondContact OE2-CA 3.24Å; D358-P360 WeakPolarHBondContact O-CD 3.26Å
361	H	98.7	Very high	98.2	Very high	61 Å²	61	31.9 Å²	31.9	28%	0.282	16%	0.163	S	C	.	.	P	Polyproline II helix	trans	-64.8	133.7	167.7	-63.6	156.3	0	0	0	109.7	F249 E349 V376	F249-H361 WeakPolarHBondContact CE1-O 3.41Å; E349-H361 IonicContact OE1-CE1 3.22Å; E349-H361 PolarHBondContact OE1-CE1 3.17Å; E349-H361 IonicContact OE1-CG 2.76Å; E349-H361 IonicContact OE1-ND1 3.43Å; E349-H361 PolarHBondContact OE1-ND1 3.34Å; E349-H361 IonicContact OE1-NE2 2.71Å; E349-H361 IonicContact OE2-CG 3.6Å; E349-H361 PolarHBondContact OE2-N 3.46Å; E349-H361 IonicContact OE2-ND1 2.78Å; H361-V376 HydrophobicContact CB-CG1 3.95Å; H361-V376 HydrophobicContact CB-CG2 4.27Å
362	N	98.3	Very high	98.1	Very high	36 Å²	36	34.3 Å²	34.3	19%	0.193	19%	0.19	C	C	.	.			trans	-121.8	110	-179.8	-171.9	-15.3	0	0	0	109.5	V247 V248 F249 E377 C378	V247-N362 HydrophobicContact CG1-CB 4.35Å; V247-N362 WeakPolarHBondContact CG1-ND2 3.36Å; V248-N362 PolarHBondContact O-ND2 2.91Å; F249-N362 HydrophobicContact CE1-CB 3.89Å; F249-N362 HydrophobicContact CZ-CB 3.97Å; N362-E377 CarbonylContact C-O 3.44Å; N362-C378 WeakPolarHBondContact O-CA 3.08Å; N362-C378 VanDerWaalsContact O-CB 3.3Å; N362-C378 WeakPolarHBondContact O-CB 3.46Å
363	N	98.1	Very high	98.1	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.011	20%	0.204	C	C	.	.	S	Bend	cis	-128.6	-12.8	-5.7	54.8	0.1	0	0	0	113.5	F202 A203 F249 C250 E377 L379	F202-N363 CarbonylContact C-O 3.55Å; F202-N363 VanDerWaalsContact CA-O 3.29Å; F202-N363 WeakPolarHBondContact CA-O 3.5Å; F202-N363 HydrophobicContact CD2-CB 4.35Å; F202-N363 HydrophobicContact CE2-CB 4.04Å; A203-N363 PolarHBondContact N-O 2.88Å; A203-N363 WeakPolarHBondContact O-CB 3.42Å; F249-N363 HydrophobicContact CD1-CB 3.94Å; F249-N363 HydrophobicContact CE1-CB 4.2Å; C250-N363 PolarHBondContact SG-ND2 3.3Å; N363-E377 PolarHBondContact N-O 3.08Å; N363-E377 PolarHBondContact OD1-O 3.4Å; N363-L379 PolarHBondContact ND2-O 2.98Å; N363-L379 PolarHBondContact OD1-N 3.2Å; N363-L379 VanDerWaalsContact OD1-N 3.12Å; N363-L379 PolarHBondContact OD1-O 3.06Å
364	F	98.9	Very high	98.1	Very high	2 Å²	2	39 Å²	39	1%	0.009	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	147.2	171.6	-79.1	-78.6	0	0	0	111.6	Y200 T201 F202 A255 L256 Y276 L279 F366 V376 E377 L379	Y200-F364 HydrophobicContact CD2-CD1 4.27Å; Y200-F364 HydrophobicContact CD2-CE1 4.19Å; Y200-F364 HydrophobicContact CE2-CE1 4.5Å; T201-F364 CarbonylContact O-C 3.51Å; T201-F364 VanDerWaalsContact O-CA 3.3Å; T201-F364 WeakPolarHBondContact O-CA 3.38Å; T201-F364 WeakPolarHBondContact O-CD1 3.35Å; F202-F364 HydrophobicContact CB-CD1 3.91Å; F202-F364 HydrophobicContact CB-CE1 3.71Å; F202-F364 HydrophobicContact CB-CZ 4.4Å; F202-F364 AromaticContact CD2-CD1 3.97Å; F202-F364 HydrophobicContact CD2-CD1 3.97Å; F202-F364 HydrophobicContact CD2-CD2 4.01Å; F202-F364 AromaticContact CD2-CE1 3.63Å; F202-F364 HydrophobicContact CD2-CE1 3.63Å; F202-F364 AromaticContact CD2-CE2 3.71Å; F202-F364 HydrophobicContact CD2-CE2 3.71Å; F202-F364 HydrophobicContact CD2-CG 4.15Å; F202-F364 AromaticContact CD2-CZ 3.49Å; F202-F364 HydrophobicContact CD2-CZ 3.49Å; F202-F364 VanDerWaalsContact CD2-CZ 3.49Å; F202-F364 HydrophobicContact CE2-CE2 4.1Å; F202-F364 HydrophobicContact CE2-CZ 4.16Å; F202-F364 HydrophobicContact CG-CD1 4.44Å; F202-F364 HydrophobicContact CG-CE1 4.06Å; F202-F364 HydrophobicContact CG-CZ 4.26Å; A255-F364 HydrophobicContact CB-CE2 3.68Å; A255-F364 HydrophobicContact CB-CZ 4.22Å; L256-F364 HydrophobicContact CD2-CZ 4.12Å; Y276-F364 HydrophobicContact CE2-CE2 4.48Å; L279-F364 HydrophobicContact CD2-CE1 3.83Å; L279-F364 HydrophobicContact CD2-CZ 4.45Å; F364-F366 HydrophobicContact CB-CD2 4.13Å; F364-F366 HydrophobicContact CB-CE2 3.46Å; F364-F366 VanDerWaalsContact CB-CE2 3.46Å; F364-F366 HydrophobicContact CB-CZ 3.88Å; F364-F366 HydrophobicContact CD1-CE1 4.33Å; F364-F366 HydrophobicContact CD1-CE2 4.19Å; F364-F366 AromaticContact CD1-CZ 3.68Å; F364-F366 HydrophobicContact CD1-CZ 3.68Å; F364-F366 HydrophobicContact CE1-CZ 4.32Å; F364-F366 AromaticContact CG-CE2 3.87Å; F364-F366 HydrophobicContact CG-CE2 3.87Å; F364-F366 AromaticContact CG-CZ 3.8Å; F364-F366 HydrophobicContact CG-CZ 3.8Å; F364-V376 CarbonylContact O-C 3.58Å; F364-V376 VanDerWaalsContact O-CA 3.3Å; F364-V376 WeakPolarHBondContact O-CA 3.34Å; F364-E377 HydrophobicContact CB-CB 4.3Å; F364-E377 PolarHBondContact N-O 3.13Å; F364-E377 PolarHBondContact O-N 2.98Å; F364-L379 HydrophobicContact CD2-CB 4.1Å; F364-L379 HydrophobicContact CD2-CD1 4.31Å; F364-L379 HydrophobicContact CE2-CB 4.26Å
365	F	98.9	Very high	98.1	Very high	14 Å²	14	41.5 Å²	41.5	6%	0.061	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.5	159.5	166.7	-96.2	0	0	0	108.4	Y200 T201 I345 F367 I375 V376	Y200-F365 CarbonylContact C-O 3.59Å; Y200-F365 WeakPolarHBondContact CA-O 3.48Å; T201-F365 HydrophobicContact CG2-CD1 4.17Å; T201-F365 PolarHBondContact N-O 3.42Å; T201-F365 PolarHBondContact O-N 2.76Å; T201-F365 WeakPolarHBondContact OG1-CB 3.27Å; I345-F365 HydrophobicContact CB-CD1 4.41Å; I345-F365 HydrophobicContact CB-CE1 4.18Å; I345-F365 HydrophobicContact CG1-CE1 4Å; I345-F365 HydrophobicContact CG1-CZ 3.98Å; I345-F365 HydrophobicContact CG2-CD1 3.85Å; I345-F365 HydrophobicContact CG2-CD2 4.43Å; I345-F365 HydrophobicContact CG2-CE1 4.05Å; I345-F365 HydrophobicContact CG2-CG 4.04Å; I345-F365 HydrophobicContact CG2-CZ 4.42Å; F365-F367 HydrophobicContact CE1-CB 3.77Å; F365-F367 HydrophobicContact CZ-CB 4Å; F365-F367 HydrophobicContact CZ-CD2 4.47Å; F365-I375 CarbonylContact C-O 3.59Å; F365-I375 WeakPolarHBondContact CA-O 3.45Å; F365-V376 HydrophobicContact CD2-CG2 4.12Å
366	F	98.9	Very high	98.1	Very high	3 Å²	3	44.4 Å²	44.4	1%	0.013	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	134.9	175.6	-64.9	-76.3	0	0	0	109.6	T273 D275 Y276 L279 F364 G374 I375 E377	T273-F366 HydrophobicContact CG2-CB 4.08Å; T273-F366 HydrophobicContact CG2-CD2 3.55Å; T273-F366 HydrophobicContact CG2-CE2 4.21Å; T273-F366 HydrophobicContact CG2-CG 3.92Å; D275-F366 HydrophobicContact CB-CB 3.8Å; D275-F366 HydrophobicContact CB-CD1 3.67Å; D275-F366 HydrophobicContact CB-CE1 4.48Å; D275-F366 HydrophobicContact CB-CG 3.83Å; Y276-F366 HydrophobicContact CD2-CZ 4.08Å; Y276-F366 HydrophobicContact CG-CZ 4.49Å; L279-F366 HydrophobicContact CB-CE1 4.32Å; L279-F366 HydrophobicContact CD2-CE1 4.1Å; L279-F366 HydrophobicContact CD2-CZ 4.45Å; F364-F366 HydrophobicContact CB-CD2 4.13Å; F364-F366 HydrophobicContact CB-CE2 3.46Å; F364-F366 VanDerWaalsContact CB-CE2 3.46Å; F364-F366 HydrophobicContact CB-CZ 3.88Å; F364-F366 HydrophobicContact CD1-CE1 4.33Å; F364-F366 HydrophobicContact CD1-CE2 4.19Å; F364-F366 AromaticContact CD1-CZ 3.68Å; F364-F366 HydrophobicContact CD1-CZ 3.68Å; F364-F366 HydrophobicContact CE1-CZ 4.32Å; F364-F366 AromaticContact CG-CE2 3.87Å; F364-F366 HydrophobicContact CG-CE2 3.87Å; F364-F366 AromaticContact CG-CZ 3.8Å; F364-F366 HydrophobicContact CG-CZ 3.8Å; F366-G374 CarbonylContact O-C 3.59Å; F366-G374 WeakPolarHBondContact O-CA 3.41Å; F366-I375 PolarHBondContact N-O 3.36Å; F366-I375 PolarHBondContact O-N 3.28Å; F366-E377 HydrophobicContact CD2-CB 4.4Å; F366-E377 HydrophobicContact CD2-CG 4.05Å; F366-E377 HydrophobicContact CE2-CB 4.18Å; F366-E377 HydrophobicContact CE2-CG 4.18Å
367	F	98.9	Very high	98.1	Very high	27 Å²	27	42.1 Å²	42.1	12%	0.118	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.2	177	178.6	-106.4	0	0	0	110.5	H198 G199 V338 V341 V342 F365 N373	H198-F367 CarbonylContact C-O 3.56Å; H198-F367 VanDerWaalsContact CA-O 3.23Å; H198-F367 WeakPolarHBondContact CA-O 3.48Å; G199-F367 PolarHBondContact N-O 3.33Å; G199-F367 PolarHBondContact O-N 3.39Å; V338-F367 HydrophobicContact CG1-CD1 3.93Å; V338-F367 HydrophobicContact CG1-CE1 4.15Å; V338-F367 HydrophobicContact CG2-CE1 4.33Å; V341-F367 HydrophobicContact CB-CE1 4.23Å; V341-F367 HydrophobicContact CB-CZ 4.29Å; V341-F367 HydrophobicContact CG1-CD1 4.12Å; V341-F367 HydrophobicContact CG1-CD2 3.79Å; V341-F367 HydrophobicContact CG1-CE1 4.08Å; V341-F367 HydrophobicContact CG1-CE2 3.78Å; V341-F367 HydrophobicContact CG1-CG 3.96Å; V341-F367 HydrophobicContact CG1-CZ 3.91Å; V341-F367 HydrophobicContact CG2-CE1 4.42Å; V341-F367 HydrophobicContact CG2-CZ 4.14Å; V342-F367 HydrophobicContact CG2-CB 4.22Å; V342-F367 HydrophobicContact CG2-CD1 4.35Å; F365-F367 HydrophobicContact CE1-CB 3.77Å; F365-F367 HydrophobicContact CZ-CB 4Å; F365-F367 HydrophobicContact CZ-CD2 4.47Å; F367-N373 WeakPolarHBondContact CA-O 3.2Å; F367-N373 VanDerWaalsContact CD2-O 3.23Å; F367-N373 WeakPolarHBondContact CD2-O 3.36Å
368	D	98.6	Very high	98.2	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	104.5	171	174.9	-12.7	0	0	0	108.1	H198 M370 K371 G372 N373	H198-D368 IonicContact NE2-OD1 3.84Å; H198-D368 IonicContact NE2-OD2 2.61Å; D368-M370 VanDerWaalsContact C-N 3.29Å; D368-M370 PolarHBondContact O-N 2.93Å; D368-M370 WeakPolarHBondContact OD1-CA 3.12Å; D368-M370 VanDerWaalsContact OD1-CB 3.25Å; D368-M370 WeakPolarHBondContact OD1-CB 3Å; D368-M370 PolarHBondContact OD1-N 3.27Å; D368-K371 PolarHBondContact O-N 3.2Å; D368-K371 PolarHBondContact OD1-N 3.18Å; D368-K371 VanDerWaalsContact OD1-N 3.09Å; D368-K371 VanDerWaalsContact OD2-CD 3.24Å; D368-K371 WeakPolarHBondContact OD2-CD 3.01Å; D368-K371 WeakPolarHBondContact OD2-CE 3.06Å; D368-K371 VanDerWaalsContact OD2-CG 3.26Å; D368-K371 WeakPolarHBondContact OD2-CG 3.49Å; D368-K371 IonicContact OD2-NZ 2.73Å; D368-K371 PolarHBondContact OD2-NZ 3.49Å; D368-G372 WeakPolarHBondContact O-CA 3.44Å; D368-G372 PolarHBondContact O-N 3.48Å; D368-N373 PolarHBondContact N-O 3.27Å; D368-N373 PolarHBondContact O-N 2.67Å; D368-N373 VanDerWaalsContact O-N 3.07Å
369	G	98.2	Very high	98.1	Very high	29 Å²	29	42.3 Å²	42.3	30%	0.299	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-16.4	179.3	0	0	0	0	0	114.5	Y197	Y197-G369 WeakPolarHBondContact O-CA 3.29Å; Y197-G369 PolarHBondContact O-N 2.98Å
370	M	97.7	Very high	97.7	Very high	93 Å²	93	40.8 Å²	40.8	46%	0.458	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-37.5	173.7	-65.8	-64.6	-64.6	0	0	110.9	Y197 Y330 D368	Y197-M370 HydrophobicContact CD1-CG 4.11Å; Y197-M370 HydrophobicContact CD1-SD 3.59Å; Y197-M370 VanDerWaalsContact CD1-SD 3.59Å; Y197-M370 HydrophobicContact CD2-CG 4.25Å; Y197-M370 HydrophobicContact CD2-SD 3.73Å; Y197-M370 HydrophobicContact CE1-SD 3.77Å; Y197-M370 HydrophobicContact CE2-SD 3.9Å; Y197-M370 HydrophobicContact CG-CG 3.77Å; Y197-M370 HydrophobicContact CG-SD 3.56Å; Y197-M370 VanDerWaalsContact CG-SD 3.56Å; Y330-M370 HydrophobicContact CD1-CE 3.82Å; Y330-M370 HydrophobicContact CD1-CG 3.96Å; Y330-M370 HydrophobicContact CD1-SD 3.78Å; Y330-M370 HydrophobicContact CE1-CE 3.48Å; Y330-M370 VanDerWaalsContact CE1-CE 3.48Å; Y330-M370 HydrophobicContact CE1-SD 4.08Å; Y330-M370 HydrophobicContact CG-CG 4.19Å; D368-M370 VanDerWaalsContact C-N 3.29Å; D368-M370 PolarHBondContact O-N 2.93Å; D368-M370 WeakPolarHBondContact OD1-CA 3.12Å; D368-M370 VanDerWaalsContact OD1-CB 3.25Å; D368-M370 WeakPolarHBondContact OD1-CB 3Å; D368-M370 PolarHBondContact OD1-N 3.27Å
371	K	97.1	Very high	96.8	Very high	135 Å²	135	43.1 Å²	43.1	59%	0.587	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-15.1	179.8	-59.1	-176.6	-164	107.8	0	113.5	D368 N373	D368-K371 PolarHBondContact O-N 3.2Å; D368-K371 PolarHBondContact OD1-N 3.18Å; D368-K371 VanDerWaalsContact OD1-N 3.09Å; D368-K371 VanDerWaalsContact OD2-CD 3.24Å; D368-K371 WeakPolarHBondContact OD2-CD 3.01Å; D368-K371 WeakPolarHBondContact OD2-CE 3.06Å; D368-K371 VanDerWaalsContact OD2-CG 3.26Å; D368-K371 WeakPolarHBondContact OD2-CG 3.49Å; D368-K371 IonicContact OD2-NZ 2.73Å; D368-K371 PolarHBondContact OD2-NZ 3.49Å; K371-N373 VanDerWaalsContact C-N 3.3Å; K371-N373 HydrophobicContact CB-CB 4.5Å; K371-N373 WeakPolarHBondContact CB-ND2 3.33Å
372	G	97	Very high	94.8	Very high	58 Å²	58	50.2 Å²	50.2	60%	0.598	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	26.4	-173	0	0	0	0	0	113.2	D368	D368-G372 WeakPolarHBondContact O-CA 3.44Å; D368-G372 PolarHBondContact O-N 3.48Å
373	N	97.8	Very high	94.7	Very high	73 Å²	73	50.9 Å²	50.9	39%	0.39	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	135.9	-178.4	-73.5	-30.8	0	0	0	110.9	F367 D368 K371 I375	F367-N373 WeakPolarHBondContact CA-O 3.2Å; F367-N373 VanDerWaalsContact CD2-O 3.23Å; F367-N373 WeakPolarHBondContact CD2-O 3.36Å; D368-N373 PolarHBondContact N-O 3.27Å; D368-N373 PolarHBondContact O-N 2.67Å; D368-N373 VanDerWaalsContact O-N 3.07Å; K371-N373 VanDerWaalsContact C-N 3.3Å; K371-N373 HydrophobicContact CB-CB 4.5Å; K371-N373 WeakPolarHBondContact CB-ND2 3.33Å; N373-I375 HydrophobicContact CB-CD1 4.46Å; N373-I375 HydrophobicContact CB-CG1 4.38Å
374	G	98.5	Very high	94.5	Very high	49 Å²	49	53.5 Å²	53.5	51%	0.505	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	109.2	166.1	0	0	0	0	0	109.3	F366	F366-G374 CarbonylContact O-C 3.59Å; F366-G374 WeakPolarHBondContact O-CA 3.41Å
375	I	98.6	Very high	94.2	Very high	58 Å²	58	56.3 Å²	56.3	30%	0.297	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.3	-171.4	-56.6	174.8	0	0	0	108.9	F365 F366 N373 E377	F365-I375 CarbonylContact C-O 3.59Å; F365-I375 WeakPolarHBondContact CA-O 3.45Å; F366-I375 PolarHBondContact N-O 3.36Å; F366-I375 PolarHBondContact O-N 3.28Å; N373-I375 HydrophobicContact CB-CD1 4.46Å; N373-I375 HydrophobicContact CB-CG1 4.38Å; I375-E377 HydrophobicContact CG2-CG 4.08Å
376	V	98.7	Very high	94	Very high	65 Å²	65	58.8 Å²	58.8	39%	0.394	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.7	171.5	178.5	0	0	0	0	108.7	H361 F364 F365	H361-V376 HydrophobicContact CB-CG1 3.95Å; H361-V376 HydrophobicContact CB-CG2 4.27Å; F364-V376 CarbonylContact O-C 3.58Å; F364-V376 VanDerWaalsContact O-CA 3.3Å; F364-V376 WeakPolarHBondContact O-CA 3.34Å; F365-V376 HydrophobicContact CD2-CG2 4.12Å
377	E	98.1	Very high	93.6	Very high	30 Å²	30	62.3 Å²	62.3	14%	0.14	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	143.3	179.2	-68	-73.5	-170.5	0	0	110.4	T272 T273 N362 N363 F364 F366 I375 L379	T272-E377 WeakPolarHBondContact CA-OE1 3.36Å; T273-E377 HydrophobicContact CG2-CG 4.04Å; T273-E377 PolarHBondContact N-OE1 3.03Å; N362-E377 CarbonylContact C-O 3.44Å; N363-E377 PolarHBondContact N-O 3.08Å; N363-E377 PolarHBondContact OD1-O 3.4Å; F364-E377 HydrophobicContact CB-CB 4.3Å; F364-E377 PolarHBondContact N-O 3.13Å; F364-E377 PolarHBondContact O-N 2.98Å; F366-E377 HydrophobicContact CD2-CB 4.4Å; F366-E377 HydrophobicContact CD2-CG 4.05Å; F366-E377 HydrophobicContact CE2-CB 4.18Å; F366-E377 HydrophobicContact CE2-CG 4.18Å; I375-E377 HydrophobicContact CG2-CG 4.08Å; E377-L379 HydrophobicContact CB-CD1 4.28Å; E377-L379 HydrophobicContact CB-CG 4.21Å
378	C	97.3	Very high	93.3	Very high	73 Å²	73	64.7 Å²	64.7	49%	0.493	39%	0.385	S	S	.	.			trans	-110	101	172.6	-174.8	0	0	0	0	108.3	N362	N362-C378 WeakPolarHBondContact O-CA 3.08Å; N362-C378 VanDerWaalsContact O-CB 3.3Å; N362-C378 WeakPolarHBondContact O-CB 3.46Å
379	L	95.8	Very high	92.9	Very high	11 Å²	11	69 Å²	69	6%	0.058	41%	0.411	C	S	.	.			trans	-123	143.1	-176.7	-63.2	173.3	0	0	0	110.3	A255 V258 W260 T272 Y276 N363 F364 E377 P381	A255-L379 WeakPolarHBondContact CB-O 3.3Å; V258-L379 HydrophobicContact CG2-CB 4.22Å; W260-L379 HydrophobicContact CH2-CD2 4.11Å; T272-L379 HydrophobicContact CG2-CD1 4.33Å; T272-L379 HydrophobicContact CG2-CD2 4.41Å; Y276-L379 HydrophobicContact CD1-CD1 4.3Å; Y276-L379 HydrophobicContact CD2-CD1 3.22Å; Y276-L379 HydrophobicContact CE2-CD1 3.61Å; Y276-L379 HydrophobicContact CG-CD1 3.6Å; N363-L379 PolarHBondContact ND2-O 2.98Å; N363-L379 PolarHBondContact OD1-N 3.2Å; N363-L379 VanDerWaalsContact OD1-N 3.12Å; N363-L379 PolarHBondContact OD1-O 3.06Å; F364-L379 HydrophobicContact CD2-CB 4.1Å; F364-L379 HydrophobicContact CD2-CD1 4.31Å; F364-L379 HydrophobicContact CE2-CB 4.26Å; E377-L379 HydrophobicContact CB-CD1 4.28Å; E377-L379 HydrophobicContact CB-CG 4.21Å; L379-P381 VanDerWaalsContact O-CD 3.29Å; L379-P381 WeakPolarHBondContact O-CD 3.44Å
380	G	90.1	Very high	92.5	Very high	22 Å²	22	72.1 Å²	72.1	23%	0.227	42%	0.419	C	S	.	.	S	Bend	trans	114.2	-67.7	-174.5	0	0	0	0	0	112.7
381	P	78.6	Confident	92.1	Very high	61 Å²	61	70.3 Å²	70.3	40%	0.396	42%	0.416	S	S	.	.			trans	-66.7	149.3	-179.4	-11.7	26.1	0	0	0	111.9	C250 L379	C250-P381 HydrophobicContact CB-CG 3.95Å; C250-P381 VanDerWaalsContact SG-CD 3.55Å; L379-P381 VanDerWaalsContact O-CD 3.29Å; L379-P381 WeakPolarHBondContact O-CD 3.44Å
382	K	57.6	Low	91.6	Very high	209 Å²	209	64.5 Å²	64.5	91%	0.909	40%	0.401	S	S	*	.			trans	-83.3	0	168.3	-75.9	-175.2	179.6	176.7	0	112	K264	K264-K382 WeakPolarHBondContact CE-OXT 3.32Å; K264-K382 PolarHBondContact NZ-OXT 3.44Å

Retrieved 382 of 382 residues in 332.1 ms (Link to these results)

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