A0A096NHX8_PAPAN Loading...

Histone acetyltransferase

AlphaFold DB (A0A2I3N8X6), UniProt , Accession A0A096NHX8, Species PAPAN (Papio anubis, Olive baboon), Gene KAT8, Length 467 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	36.1	Very low	28.7	Very low	239 Å²	239	121.5 Å²	121.5	100%	1.177	86%	0.857	S	S	*	*				0	110.9	0	-55.1	179.6	-164.8	0	0	105.6
2	A	30.6	Very low	28.4	Very low	95 Å²	95	119.5 Å²	119.5	79%	0.785	85%	0.853	S	S	*	*				71.8	106.7	101.2	0	0	0	0	0	111.3
3	A	27.7	Very low	28.3	Very low	87 Å²	87	118.2 Å²	118.2	72%	0.719	85%	0.853	S	S	*	*				76.8	145	73.5	0	0	0	0	0	112.2
4	Q	30.6	Very low	28.1	Very low	185 Å²	185	119.9 Å²	119.9	86%	0.864	85%	0.854	S	S	*	*			cis	-115.7	-177.1	-5.3	-73.1	95.6	-3.1	0	0	110.1
5	G	26.6	Very low	28.2	Very low	74 Å²	74	119.3 Å²	119.3	76%	0.763	85%	0.848	S	S	*	*			cis	111	107.6	1.5	0	0	0	0	0	113.3
6	A	28.5	Very low	28.1	Very low	110 Å²	110	116.1 Å²	116.1	91%	0.909	84%	0.84	S	S	*	*			trans	-148.2	126.1	172.6	0	0	0	0	0	111.9
7	A	27.4	Very low	28.1	Very low	102 Å²	102	117.9 Å²	117.9	84%	0.843	84%	0.842	S	S	*	*			trans	-121.1	176.6	172.8	0	0	0	0	0	106.9
8	A	26.6	Very low	28.1	Very low	97 Å²	97	116.3 Å²	116.3	80%	0.802	84%	0.837	S	S	*	*			cis	-167.6	167.1	-30.4	0	0	0	0	0	105.5
9	A	27.8	Very low	28.1	Very low	103 Å²	103	114.2 Å²	114.2	85%	0.851	83%	0.834	S	S	*	*			trans	-148.2	137.3	167.3	0	0	0	0	0	111
10	V	26.3	Very low	27.9	Very low	139 Å²	139	118.4 Å²	118.4	84%	0.842	84%	0.838	S	S	*	*			trans	-131	138.5	177.8	174.9	0	0	0	0	107.9
11	A	27.3	Very low	27.9	Very low	106 Å²	106	116.6 Å²	116.6	88%	0.876	84%	0.839	S	S	*	*			trans	-140.1	120.3	164.5	0	0	0	0	0	108.9
12	A	24.9	Very low	27.5	Very low	97 Å²	97	114.2 Å²	114.2	80%	0.802	82%	0.824	S	S	*	*			trans	-131.8	143.9	173.2	0	0	0	0	0	108.5
13	A	27.6	Very low	27.7	Very low	103 Å²	103	115.2 Å²	115.2	85%	0.851	82%	0.823	S	S	*	*			trans	-142	106.7	176.8	0	0	0	0	0	110.6
14	T	26.1	Very low	27.6	Very low	142 Å²	142	114 Å²	114	87%	0.871	82%	0.82	S	S	*	*			trans	-72.6	168.1	155.9	49.3	0	0	0	0	109.2
15	S	28.9	Very low	28	Very low	110 Å²	110	111.9 Å²	111.9	77%	0.769	82%	0.822	S	S	*	*			cis	-149.5	166.6	23	51.1	0	0	0	0	110.2
16	G	26.1	Very low	28	Very low	69 Å²	69	112.1 Å²	112.1	71%	0.711	82%	0.824	S	S	*	*				78.6	141.4	78.6	0	0	0	0	0	112
17	V	28.9	Very low	27.9	Very low	146 Å²	146	115.8 Å²	115.8	89%	0.885	82%	0.822	S	S	*	*			cis	-150.9	173.4	19.1	173.7	0	0	0	0	110.3
18	A	27.6	Very low	28	Very low	89 Å²	89	119 Å²	119	74%	0.736	83%	0.825	S	S	*	*			trans	-61.5	173.5	171.5	0	0	0	0	0	113.9
19	G	27.5	Very low	28	Very low	76 Å²	76	119.1 Å²	119.1	78%	0.784	83%	0.826	S	S	*	*			cis	179.4	-146	4	0	0	0	0	0	108.6
20	E	26	Very low	28	Very low	198 Å²	198	119.2 Å²	119.2	93%	0.925	83%	0.827	S	S	*	*			cis	-160.8	171.1	-6.5	-65.7	-166.5	89.1	0	0	108.5
21	G	26.1	Very low	28.2	Very low	82 Å²	82	117.7 Å²	117.7	85%	0.845	83%	0.829	S	S	*	*			trans	125.2	133.6	159	0	0	0	0	0	119.6
22	E	28.2	Very low	28.3	Very low	188 Å²	188	121.8 Å²	121.8	88%	0.879	83%	0.83	S	S	*	*			trans	-97.6	175.3	167.2	-119.1	-164.5	-174.2	0	0	110.5
23	P	35.9	Very low	28.4	Very low	116 Å²	116	121.2 Å²	121.2	75%	0.753	83%	0.833	S	S	*	*			cis	-141.6	-173.9	35.7	41.8	-20.8	0	0	0	117.2
24	G	25.7	Very low	28.4	Very low	63 Å²	63	122.9 Å²	122.9	65%	0.649	83%	0.833	S	S	*	*			trans	-79.7	-158.6	167	0	0	0	0	0	114.2
25	P	38.4	Very low	28.6	Very low	140 Å²	140	120 Å²	120	91%	0.909	82%	0.823	S	S	*	*			cis	-130.2	-175.8	19.2	43.4	-28.2	0	0	0	115.3
26	G	26.4	Very low	28.7	Very low	78 Å²	78	121 Å²	121	80%	0.804	83%	0.827	S	S	*	*			trans	171.6	124.3	165.9	0	0	0	0	0	113.9
27	E	26.1	Very low	28.9	Very low	188 Å²	188	122.9 Å²	122.9	88%	0.879	83%	0.829	S	S	*	*			trans	-91.5	148.9	-177.7	-61.1	168.8	105.1	0	0	113
28	N	28.8	Very low	29.4	Very low	170 Å²	170	121.9 Å²	121.9	91%	0.909	83%	0.826	S	S	*	*				-166.6	155.2	122.8	-109.9	-73.8	0	0	0	111.9
29	A	27.1	Very low	30.2	Very low	98 Å²	98	119.4 Å²	119.4	81%	0.81	81%	0.809	S	S	*	*			trans	-108.8	147	-169.8	0	0	0	0	0	113.6
30	A	27.6	Very low	30.9	Very low	106 Å²	106	126.3 Å²	126.3	88%	0.876	81%	0.812	S	S	*	*			trans	-140.8	126.2	159.3	0	0	0	0	0	108.3
31	A	30.8	Very low	32.3	Very low	106 Å²	106	119.7 Å²	119.7	88%	0.876	78%	0.784	S	S	*	*			trans	-108.9	119.6	-177.7	0	0	0	0	0	110.6
32	E	28.8	Very low	33.2	Very low	193 Å²	193	120.5 Å²	120.5	90%	0.902	78%	0.777	S	S	*	*			trans	-108.9	134.7	164.7	-70	-162.6	121.8	0	0	109.9	T34	E32-T34 PolarHBondContact O-N 2.89Å
33	G	27.1	Very low	33.9	Very low	84 Å²	84	115.5 Å²	115.5	87%	0.866	76%	0.761	S	S	*	*			trans	-82.7	111.2	-170	0	0	0	0	0	113.5	A35	G33-A35 PolarHBondContact O-N 3.38Å
34	T	29.2	Very low	34.9	Very low	139 Å²	139	112.9 Å²	112.9	85%	0.853	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-65.8	125.3	172.4	-37.6	0	0	0	0	111.2	E32	E32-T34 PolarHBondContact O-N 2.89Å
35	A	28.5	Very low	36	Very low	80 Å²	80	116.3 Å²	116.3	66%	0.661	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-68.1	148.3	171.1	0	0	0	0	0	111.3	G33 S37	G33-A35 PolarHBondContact O-N 3.38Å; A35-S37 PolarHBondContact O-N 3.39Å
36	P	31	Very low	36.4	Very low	131 Å²	131	114 Å²	114	85%	0.851	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-70.9	126.9	-178.1	28.2	-34.4	0	0	0	112.1
37	S	32	Very low	37.6	Very low	109 Å²	109	113 Å²	113	76%	0.762	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-85.8	126.7	171.8	-61.7	0	0	0	0	110.6	A35	A35-S37 PolarHBondContact O-N 3.39Å
38	P	37.7	Very low	38.5	Very low	125 Å²	125	116.5 Å²	116.5	81%	0.812	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	147.5	178.1	29.8	-34.6	0	0	0	112.1
39	G	44.6	Very low	39.7	Very low	38 Å²	38	112.2 Å²	112.2	39%	0.392	72%	0.723	S	S	.	*	T	Hydrogen-bonded Turn	trans	88	11.1	158.1	0	0	0	0	0	118.8	H71	G39-H71 PolarHBondContact O-CE1 3.04Å
40	R	42.9	Very low	41.1	Very low	221 Å²	221	110.5 Å²	110.5	83%	0.834	70%	0.698	S	S	*	*			trans	-104.4	85	172.9	-161.3	179.6	-167.1	-167.4	4	112.1
41	V	55.5	Low	42.6	Very low	58 Å²	58	110 Å²	110	35%	0.352	69%	0.686	S	S	.	*	P	Polyproline II helix	trans	-81.1	134.4	172.3	-172.3	0	0	0	0	109.5	L62	V41-L62 HydrophobicContact CB-CD2 4.28Å; V41-L62 HydrophobicContact CG1-CD1 4.4Å; V41-L62 HydrophobicContact CG1-CD2 4.45Å
42	S	45	Very low	44.1	Very low	100 Å²	100	111.3 Å²	111.3	70%	0.699	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-68	138.7	174.1	-63.5	0	0	0	0	110.8	P44	S42-P44 WeakPolarHBondContact O-CD 3.45Å
43	P	43.8	Very low	46.3	Very low	83 Å²	83	103.5 Å²	103.5	54%	0.539	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-64.1	125.1	175.2	26.3	-33.1	0	0	0	110.3
44	P	55.3	Low	48.9	Very low	61 Å²	61	104.3 Å²	104.3	40%	0.396	63%	0.628	S	S	.	*	P	Polyproline II helix	trans	-70.1	134.5	170.6	28.1	-32.3	0	0	0	109.9	S42 P46 V115	S42-P44 WeakPolarHBondContact O-CD 3.45Å; P44-P46 WeakPolarHBondContact O-CD 3.39Å; P44-V115 HydrophobicContact CB-CG2 3.99Å; P44-V115 HydrophobicContact CG-CB 4.26Å; P44-V115 HydrophobicContact CG-CG1 3.83Å; P44-V115 HydrophobicContact CG-CG2 3.4Å; P44-V115 VanDerWaalsContact CG-CG2 3.4Å
45	T	48.4	Very low	51.5	Low	135 Å²	135	99 Å²	99	83%	0.828	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-73.5	117.5	176	-48.7	0	0	0	0	109.4	A47	T45-A47 PolarHBondContact O-N 3.03Å
46	P	47.5	Very low	54.2	Low	90 Å²	90	99.2 Å²	99.2	58%	0.584	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-68.9	128.5	-179.7	27.7	-34	0	0	0	110.7	P44 T112	P44-P46 WeakPolarHBondContact O-CD 3.39Å; P46-T112 HydrophobicContact CB-CG2 4.3Å
47	A	51.4	Low	56.9	Low	58 Å²	58	98 Å²	98	48%	0.479	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-70.6	139.1	172.9	0	0	0	0	0	110.4	T45 G49 E50	T45-A47 PolarHBondContact O-N 3.03Å; A47-G49 PolarHBondContact O-N 3.33Å; A47-G49 VanDerWaalsContact O-N 3.09Å; A47-E50 HydrophobicContact CB-CG 4.15Å; A47-E50 PolarHBondContact O-N 3.2Å
48	R	45.5	Very low	59.4	Low	261 Å²	261	95 Å²	95	99%	0.985	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	112.3	177.9	-89.2	-175.7	166.8	-176.4	-3.7	110.3
49	G	54.5	Low	61.7	Low	80 Å²	80	91.8 Å²	91.8	83%	0.825	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	105	8.9	172.4	0	0	0	0	0	115.9	A47	A47-G49 PolarHBondContact O-N 3.33Å; A47-G49 VanDerWaalsContact O-N 3.09Å
50	E	56.8	Low	63.6	Low	62 Å²	62	91.1 Å²	91.1	29%	0.29	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-64.1	140.5	167.3	-69.3	-171.2	177.4	0	0	111	A47 T112 T114	A47-E50 HydrophobicContact CB-CG 4.15Å; A47-E50 PolarHBondContact O-N 3.2Å; E50-T112 WeakPolarHBondContact OE2-CB 3.48Å; E50-T112 PolarHBondContact OE2-OG1 3Å; E50-T114 VanDerWaalsContact CD-OG1 3.22Å; E50-T114 WeakPolarHBondContact OE1-CB 3.29Å; E50-T114 PolarHBondContact OE1-OG1 3.35Å; E50-T114 PolarHBondContact OE2-OG1 3.49Å
51	P	58	Low	65.8	Low	96 Å²	96	80.7 Å²	80.7	62%	0.623	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-68.2	133.1	176.2	28.2	-33.9	0	0	0	110.8
52	E	63.1	Low	67.3	Low	133 Å²	133	78.5 Å²	78.5	62%	0.621	46%	0.463	S	S	*	.	B	Isolated β-bridge	trans	-69.8	128.8	176.1	-165.1	-173.9	168.6	0	0	110.1	K106 L111	E52-K106 VanDerWaalsContact OE1-CE 3.27Å; E52-K106 WeakPolarHBondContact OE1-CE 3.15Å; E52-K106 IonicContact OE1-NZ 3.84Å; E52-K106 PolarHBondContact OE1-NZ 3.37Å; E52-K106 IonicContact OE2-NZ 3.56Å; E52-L111 WeakPolarHBondContact CA-O 3.48Å; E52-L111 HydrophobicContact CG-CB 4.27Å
53	V	73.6	Confident	69.5	Low	30 Å²	30	73.7 Å²	73.7	18%	0.182	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-88.9	136.2	-175.6	-172.7	0	0	0	0	110	L111 K113	V53-L111 PolarHBondContact N-O 3.1Å; V53-K113 HydrophobicContact CG2-CB 4.15Å
54	T	81.8	Confident	71.7	Confident	100 Å²	100	74.1 Å²	74.1	61%	0.613	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-63.6	140.5	170.4	40.4	0	0	0	0	110.9	Y61	T54-Y61 PolarHBondContact O-OH 3.45Å
55	V	83.7	Confident	73.3	Confident	27 Å²	27	73.3 Å²	73.3	16%	0.164	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-79.3	127.1	178.7	-165.3	0	0	0	0	109.1	Y61 V75 F89 K106 L109 L111	V55-Y61 HydrophobicContact CG1-CE2 3.98Å; V55-V75 HydrophobicContact CG1-CB 4.37Å; V55-V75 HydrophobicContact CG1-CG1 4.03Å; V55-V75 HydrophobicContact CG1-CG2 3.84Å; V55-F89 HydrophobicContact CB-CD1 4.06Å; V55-F89 HydrophobicContact CB-CE1 3.46Å; V55-F89 VanDerWaalsContact CB-CE1 3.46Å; V55-F89 HydrophobicContact CB-CE2 4.28Å; V55-F89 HydrophobicContact CB-CZ 3.58Å; V55-F89 HydrophobicContact CG1-CD1 3.68Å; V55-F89 HydrophobicContact CG1-CE1 3.64Å; V55-F89 HydrophobicContact CG1-CG 4.18Å; V55-F89 HydrophobicContact CG1-CZ 4.09Å; V55-F89 HydrophobicContact CG2-CD2 4.43Å; V55-F89 HydrophobicContact CG2-CE1 3.91Å; V55-F89 HydrophobicContact CG2-CE2 3.79Å; V55-F89 HydrophobicContact CG2-CZ 3.48Å; V55-F89 VanDerWaalsContact CG2-CZ 3.48Å; V55-K106 HydrophobicContact CG2-CG 4.34Å; V55-L109 HydrophobicContact CG1-CD1 3.78Å; V55-L109 HydrophobicContact CG2-CD1 4.02Å; V55-L111 HydrophobicContact CG2-CD1 3.52Å; V55-L111 HydrophobicContact CG2-CD2 3.85Å; V55-L111 HydrophobicContact CG2-CG 4.35Å
56	E	86	Confident	74.9	Confident	86 Å²	86	71.7 Å²	71.7	40%	0.402	40%	0.401	S	S	.	.			trans	-110.4	136.7	-177.4	-69.5	160.3	158.3	0	0	109.4	E59 Y61 K116	E56-E59 HydrophobicContact CB-CB 4.18Å; E56-E59 HydrophobicContact CB-CG 3.84Å; E56-E59 PolarHBondContact O-N 2.95Å; E56-Y61 PolarHBondContact N-OH 2.74Å; E56-K116 IonicContact OE2-NZ 3.55Å; E56-K116 PolarHBondContact OE2-NZ 2.78Å
57	I	87.6	Confident	76.8	Confident	105 Å²	105	71.9 Å²	71.9	54%	0.538	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	134.6	179.1	-66.2	171.3	0	0	0	109.4	E59 V75 I76	I57-E59 VanDerWaalsContact C-N 3.34Å; I57-V75 HydrophobicContact CG1-CG1 4.4Å; I57-I76 VanDerWaalsContact CG2-O 3.26Å; I57-I76 WeakPolarHBondContact CG2-O 3.34Å
58	G	84.3	Confident	78.3	Confident	45 Å²	45	73.1 Å²	73.1	46%	0.464	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	-12.4	-173	0	0	0	0	0	114.2	V75	G58-V75 PolarHBondContact N-O 2.78Å
59	E	85.8	Confident	80.3	Confident	59 Å²	59	62.4 Å²	62.4	28%	0.276	37%	0.366	S	S	.	.			trans	-87.4	155.5	178.9	-72.3	-69.9	136.4	0	0	112.3	E56 I57 Y61 V75 K116 Q120	E56-E59 HydrophobicContact CB-CB 4.18Å; E56-E59 HydrophobicContact CB-CG 3.84Å; E56-E59 PolarHBondContact O-N 2.95Å; I57-E59 VanDerWaalsContact C-N 3.34Å; E59-Y61 HydrophobicContact CB-CD2 4.46Å; E59-Y61 HydrophobicContact CB-CE2 3.63Å; E59-V75 PolarHBondContact O-N 2.78Å; E59-K116 VanDerWaalsContact OE2-CE 3.22Å; E59-K116 WeakPolarHBondContact OE2-CE 3.41Å; E59-K116 IonicContact OE2-NZ 2.63Å; E59-K116 PolarHBondContact OE2-NZ 2.69Å; E59-K116 VanDerWaalsContact OE2-NZ 3.09Å; E59-Q120 PolarHBondContact OE2-NE2 2.9Å; E59-Q120 VanDerWaalsContact OE2-NE2 3.08Å
60	T	85.9	Confident	81.7	Confident	24 Å²	24	60.9 Å²	60.9	15%	0.147	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.1	-177.1	-58.1	0	0	0	0	111.3	S72 A73 V94 V119	T60-S72 WeakPolarHBondContact CG2-OG 3.16Å; T60-A73 CarbonylContact C-O 3.56Å; T60-A73 WeakPolarHBondContact CA-O 3.29Å; T60-V94 HydrophobicContact CG2-CG2 4.28Å; T60-V119 HydrophobicContact CG2-CG1 3.84Å; T60-V119 WeakPolarHBondContact O-CG1 3.14Å
61	Y	88.2	Confident	83.2	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.008	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	157.7	-178.6	-62.4	-94.7	0	0	0	111	T54 V55 E56 E59 C63 A73 V75 L111 K116	T54-Y61 PolarHBondContact O-OH 3.45Å; V55-Y61 HydrophobicContact CG1-CE2 3.98Å; E56-Y61 PolarHBondContact N-OH 2.74Å; E59-Y61 HydrophobicContact CB-CD2 4.46Å; E59-Y61 HydrophobicContact CB-CE2 3.63Å; Y61-C63 PolarHBondContact O-N 2.77Å; Y61-A73 PolarHBondContact N-O 3.4Å; Y61-A73 PolarHBondContact O-N 3.45Å; Y61-V75 HydrophobicContact CD2-CG2 3.67Å; Y61-V75 HydrophobicContact CE2-CG2 4.04Å; Y61-L111 HydrophobicContact CD1-CD2 3.62Å; Y61-L111 HydrophobicContact CE1-CD2 3.7Å; Y61-L111 HydrophobicContact CG-CD2 4.42Å; Y61-K116 HydrophobicContact CE1-CD 4.1Å; Y61-K116 HydrophobicContact CE1-CG 4.32Å
62	L	88.1	Confident	84.6	Confident	11 Å²	11	55.8 Å²	55.8	6%	0.058	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	118.1	164.1	-90.1	160.3	0	0	0	108.6	V41 W70 H71 A110 V115 V119	V41-L62 HydrophobicContact CB-CD2 4.28Å; V41-L62 HydrophobicContact CG1-CD1 4.4Å; V41-L62 HydrophobicContact CG1-CD2 4.45Å; L62-W70 HydrophobicContact CB-CE3 4.06Å; L62-W70 HydrophobicContact CD2-CB 3.93Å; L62-W70 WeakPolarHBondContact O-CZ3 3.43Å; L62-H71 WeakPolarHBondContact CA-O 3.19Å; L62-A110 HydrophobicContact CB-CB 4.02Å; L62-A110 PolarHBondContact O-N 3.32Å; L62-V115 HydrophobicContact CB-CG1 4.48Å; L62-V115 HydrophobicContact CD1-CG1 3.95Å; L62-V119 HydrophobicContact CB-CG2 4.05Å; L62-V119 HydrophobicContact CD1-CG2 3.49Å; L62-V119 VanDerWaalsContact CD1-CG2 3.49Å; L62-V119 HydrophobicContact CG-CG2 3.46Å; L62-V119 VanDerWaalsContact CG-CG2 3.46Å
63	C	90.1	Very high	85.8	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131	177.1	-179.6	0	0	0	0	110.6	Y61 H71 A73 Y93 R108 L109	Y61-C63 PolarHBondContact O-N 2.77Å; C63-H71 PolarHBondContact N-O 3.31Å; C63-H71 PolarHBondContact O-N 3.26Å; C63-A73 HydrophobicContact CB-CB 3.84Å; C63-Y93 HydrophobicContact CB-CE1 3.85Å; C63-Y93 PolarHBondContact SG-OH 3.39Å; C63-R108 CarbonylContact C-O 3.37Å; C63-R108 WeakPolarHBondContact CA-O 3.25Å; C63-L109 HydrophobicContact CB-CD2 3.76Å
64	R	89.8	Confident	86.6	Confident	91 Å²	91	51 Å²	51	34%	0.343	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	127.9	175.3	-170.4	177.7	60.6	-171	-7.6	110.3	T69 W70 R108	R64-T69 WeakPolarHBondContact CA-O 3.43Å; R64-W70 HydrophobicContact CB-CD2 3.84Å; R64-W70 HydrophobicContact CB-CE3 3.76Å; R64-W70 HydrophobicContact CB-CH2 3.84Å; R64-W70 HydrophobicContact CB-CZ2 3.9Å; R64-W70 HydrophobicContact CB-CZ3 3.75Å; R64-W70 HydrophobicContact CG-CD2 4.31Å; R64-W70 HydrophobicContact CG-CZ2 4.26Å; R64-R108 PolarHBondContact N-O 3.1Å; R64-R108 PolarHBondContact O-NE 3.28Å; R64-R108 PolarHBondContact O-NH2 3.32Å
65	R	88.5	Confident	87	Confident	44 Å²	44	46.3 Å²	46.3	17%	0.166	25%	0.254	C	S	.	.			trans	-89	166.1	176.1	-65.4	-169.9	75.3	-133.7	-3.2	111.6	D67 S68 T69 H71 Y93	R65-D67 WeakPolarHBondContact CB-OD1 3.47Å; R65-D67 PolarHBondContact O-N 2.87Å; R65-D67 VanDerWaalsContact O-N 3.16Å; R65-S68 WeakPolarHBondContact O-CA 3.49Å; R65-S68 PolarHBondContact O-N 3.13Å; R65-T69 PolarHBondContact N-O 2.9Å; R65-H71 WeakPolarHBondContact CD-CD2 3.48Å; R65-Y93 HydrophobicContact CG-CD1 4.43Å; R65-Y93 HydrophobicContact CG-CE1 3.65Å; R65-Y93 HydrophobicContact CG-CE2 4.18Å
66	P	83.8	Confident	87.1	Confident	101 Å²	101	46.3 Å²	46.3	66%	0.656	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.6	-177.8	-25.8	36.7	0	0	0	114.6	S68	P66-S68 PolarHBondContact O-N 3.41Å
67	D	85.6	Confident	87.2	Confident	94 Å²	94	45 Å²	45	50%	0.503	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	8.5	171.5	63.3	10.8	0	0	0	113.8	R65 T69	R65-D67 WeakPolarHBondContact CB-OD1 3.47Å; R65-D67 PolarHBondContact O-N 2.87Å; R65-D67 VanDerWaalsContact O-N 3.16Å; D67-T69 VanDerWaalsContact CG-OG1 3.24Å; D67-T69 PolarHBondContact O-N 3.19Å; D67-T69 WeakPolarHBondContact OD1-CB 3.24Å; D67-T69 PolarHBondContact OD1-N 3.05Å; D67-T69 PolarHBondContact OD1-OG1 3.13Å; D67-T69 PolarHBondContact OD2-OG1 2.83Å
68	S	83.8	Confident	87.2	Confident	85 Å²	85	42 Å²	42	59%	0.594	24%	0.235	S	C	*	.	S	Bend	trans	61.8	12.2	-174.4	-58	0	0	0	0	115.7	R65 P66	R65-S68 WeakPolarHBondContact O-CA 3.49Å; R65-S68 PolarHBondContact O-N 3.13Å; P66-S68 PolarHBondContact O-N 3.41Å
69	T	86.8	Confident	87.2	Confident	36 Å²	36	42 Å²	42	22%	0.221	22%	0.221	C	C	.	.			trans	-82.9	151.3	171	67.1	0	0	0	0	111.4	R64 R65 D67 H71	R64-T69 WeakPolarHBondContact CA-O 3.43Å; R65-T69 PolarHBondContact N-O 2.9Å; D67-T69 VanDerWaalsContact CG-OG1 3.24Å; D67-T69 PolarHBondContact O-N 3.19Å; D67-T69 WeakPolarHBondContact OD1-CB 3.24Å; D67-T69 PolarHBondContact OD1-N 3.05Å; D67-T69 PolarHBondContact OD1-OG1 3.13Å; D67-T69 PolarHBondContact OD2-OG1 2.83Å; T69-H71 PolarHBondContact OG1-CD2 3.39Å; T69-H71 PolarHBondContact OG1-NE2 3.32Å
70	W	84.6	Confident	87.1	Confident	48 Å²	48	43.8 Å²	43.8	18%	0.182	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	130.2	-179.6	-68.7	89.9	0	0	0	110.8	L62 R64 R108 A110	L62-W70 HydrophobicContact CB-CE3 4.06Å; L62-W70 HydrophobicContact CD2-CB 3.93Å; L62-W70 WeakPolarHBondContact O-CZ3 3.43Å; R64-W70 HydrophobicContact CB-CD2 3.84Å; R64-W70 HydrophobicContact CB-CE3 3.76Å; R64-W70 HydrophobicContact CB-CH2 3.84Å; R64-W70 HydrophobicContact CB-CZ2 3.9Å; R64-W70 HydrophobicContact CB-CZ3 3.75Å; R64-W70 HydrophobicContact CG-CD2 4.31Å; R64-W70 HydrophobicContact CG-CZ2 4.26Å; W70-R108 WeakPolarHBondContact CZ3-O 3.41Å; W70-A110 HydrophobicContact CE3-CB 4.43Å; W70-A110 HydrophobicContact CH2-CB 4.19Å; W70-A110 HydrophobicContact CZ3-CB 3.77Å
71	H	87.4	Confident	86.5	Confident	19 Å²	19	43.3 Å²	43.3	9%	0.088	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	150	-176.8	-66.7	-94.4	0	0	0	110.5	G39 L62 C63 R65 T69 Y93 F96	G39-H71 PolarHBondContact O-CE1 3.04Å; L62-H71 WeakPolarHBondContact CA-O 3.19Å; C63-H71 PolarHBondContact N-O 3.31Å; C63-H71 PolarHBondContact O-N 3.26Å; R65-H71 WeakPolarHBondContact CD-CD2 3.48Å; T69-H71 PolarHBondContact OG1-CD2 3.39Å; T69-H71 PolarHBondContact OG1-NE2 3.32Å; H71-Y93 HydrophobicContact CB-CD1 3.65Å; H71-Y93 HydrophobicContact CB-CE1 4.05Å; H71-F96 AromaticContact CE1-CZ 3.73Å; H71-F96 AromaticContact ND1-CE2 3.45Å; H71-F96 WeakPolarHBondContact ND1-CE2 3.32Å; H71-F96 AromaticContact ND1-CZ 3.42Å; H71-F96 WeakPolarHBondContact ND1-CZ 3.37Å
72	S	87.4	Confident	85.7	Confident	31 Å²	31	50.8 Å²	50.8	22%	0.217	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	130.3	171.7	-154	0	0	0	0	109.3	T60 V94	T60-S72 WeakPolarHBondContact CG2-OG 3.16Å; S72-V94 PolarHBondContact O-N 3.26Å
73	A	89.8	Confident	84.7	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	133.9	-177.7	0	0	0	0	0	113	T60 Y61 C63 V91 H92 Y93	T60-A73 CarbonylContact C-O 3.56Å; T60-A73 WeakPolarHBondContact CA-O 3.29Å; Y61-A73 PolarHBondContact N-O 3.4Å; Y61-A73 PolarHBondContact O-N 3.45Å; C63-A73 HydrophobicContact CB-CB 3.84Å; A73-V91 HydrophobicContact CB-CB 4.04Å; A73-H92 CarbonylContact C-O 3.47Å; A73-H92 WeakPolarHBondContact CA-O 3.45Å; A73-H92 WeakPolarHBondContact CB-O 3.25Å; A73-Y93 HydrophobicContact CB-CD1 3.75Å; A73-Y93 HydrophobicContact CB-CE1 3.95Å
74	E	89.8	Confident	83.8	Confident	64 Å²	64	61.8 Å²	61.8	30%	0.299	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	130	173.6	-177.7	-170.1	147.3	0	0	109.5	I76 V91 H92	E74-I76 HydrophobicContact CG-CG1 4.3Å; E74-I76 PolarHBondContact O-N 2.73Å; E74-V91 VanDerWaalsContact O-CA 3.3Å; E74-V91 WeakPolarHBondContact O-CA 3.35Å; E74-H92 PolarHBondContact N-O 3.34Å; E74-H92 PolarHBondContact O-N 2.77Å
75	V	89.7	Confident	83.1	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	107.2	173.1	173.4	0	0	0	0	109.2	V55 I57 G58 E59 Y61 F89 V91 L109	V55-V75 HydrophobicContact CG1-CB 4.37Å; V55-V75 HydrophobicContact CG1-CG1 4.03Å; V55-V75 HydrophobicContact CG1-CG2 3.84Å; I57-V75 HydrophobicContact CG1-CG1 4.4Å; G58-V75 PolarHBondContact N-O 2.78Å; E59-V75 PolarHBondContact O-N 2.78Å; Y61-V75 HydrophobicContact CD2-CG2 3.67Å; Y61-V75 HydrophobicContact CE2-CG2 4.04Å; V75-F89 HydrophobicContact CG1-CB 4.17Å; V75-F89 HydrophobicContact CG1-CD1 3.87Å; V75-F89 HydrophobicContact CG1-CG 4.42Å; V75-V91 HydrophobicContact CG2-CG1 3.97Å; V75-L109 HydrophobicContact CG2-CD1 4.25Å
76	I	87.2	Confident	82.8	Confident	28 Å²	28	63.8 Å²	63.8	14%	0.144	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-34.8	-174.3	-66.2	179.3	0	0	0	112.2	I57 E74 Y90 H92 K175 V176	I57-I76 VanDerWaalsContact CG2-O 3.26Å; I57-I76 WeakPolarHBondContact CG2-O 3.34Å; E74-I76 HydrophobicContact CG-CG1 4.3Å; E74-I76 PolarHBondContact O-N 2.73Å; I76-Y90 HydrophobicContact CB-CD1 4.21Å; I76-Y90 HydrophobicContact CD1-CD1 4.46Å; I76-Y90 PolarHBondContact N-O 3.26Å; I76-H92 HydrophobicContact CD1-CB 3.55Å; I76-H92 HydrophobicContact CG1-CB 4.32Å; I76-K175 HydrophobicContact CG2-CB 4.39Å; I76-K175 HydrophobicContact CG2-CD 4.17Å; I76-V176 HydrophobicContact CG2-CG2 3.63Å
77	Q	87.4	Confident	82.9	Confident	57 Å²	57	63.4 Å²	63.4	27%	0.266	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	154.3	-178	-170.9	174.4	-15.1	0	0	110.6	F89 Y90 W103 V176 Y178	Q77-F89 CarbonylContact O-C 3.55Å; Q77-F89 WeakPolarHBondContact O-CA 3.42Å; Q77-Y90 PolarHBondContact O-N 3.02Å; Q77-W103 HydrophobicContact CB-CH2 4.2Å; Q77-W103 HydrophobicContact CG-CH2 4.09Å; Q77-V176 HydrophobicContact CB-CG2 4.03Å; Q77-Y178 PolarHBondContact NE2-OH 2.88Å; Q77-Y178 VanDerWaalsContact NE2-OH 3.08Å; Q77-Y178 PolarHBondContact OE1-OH 2.71Å
78	S	88.1	Confident	83.1	Confident	43 Å²	43	59.9 Å²	59.9	30%	0.301	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	153.9	165.2	61.9	0	0	0	0	112	E88	S78-E88 CarbonylContact C-O 3.54Å; S78-E88 VanDerWaalsContact CA-O 3.3Å; S78-E88 WeakPolarHBondContact CA-O 3.39Å
79	R	84.2	Confident	83.4	Confident	44 Å²	44	56 Å²	56	17%	0.166	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	154.2	169.7	75.8	-177.4	179.6	-165.5	-2.5	110.4	E88 W103 Y178 D180	R79-E88 HydrophobicContact CG-CB 4.1Å; R79-E88 IonicContact CZ-OE2 3.75Å; R79-E88 PolarHBondContact N-O 3.09Å; R79-E88 IonicContact NE-OE2 3.81Å; R79-E88 PolarHBondContact NE-OE2 3.14Å; R79-E88 IonicContact NH2-OE2 3.12Å; R79-E88 PolarHBondContact NH2-OE2 3.16Å; R79-E88 PolarHBondContact O-N 3.08Å; R79-W103 HydrophobicContact CB-CE3 4.37Å; R79-W103 HydrophobicContact CB-CH2 3.75Å; R79-W103 HydrophobicContact CB-CZ2 4.5Å; R79-W103 HydrophobicContact CB-CZ3 3.69Å; R79-W103 HydrophobicContact CG-CD2 4.17Å; R79-W103 HydrophobicContact CG-CE3 3.64Å; R79-W103 HydrophobicContact CG-CH2 3.82Å; R79-W103 HydrophobicContact CG-CZ2 4.29Å; R79-W103 HydrophobicContact CG-CZ3 3.48Å; R79-W103 VanDerWaalsContact CG-CZ3 3.48Å; R79-W103 VanDerWaalsContact CZ-CD1 3.46Å; R79-W103 VanDerWaalsContact CZ-CG 3.45Å; R79-W103 VanDerWaalsContact NH1-CD1 3.35Å; R79-W103 VanDerWaalsContact NH1-NE1 3.14Å; R79-Y178 PolarHBondContact NH1-O 2.81Å; R79-D180 IonicContact CZ-OD2 2.96Å; R79-D180 IonicContact NH1-OD2 2.63Å; R79-D180 PolarHBondContact NH1-OD2 2.85Å; R79-D180 IonicContact NH2-OD2 2.7Å; R79-D180 PolarHBondContact NH2-OD2 2.9Å
80	V	82.1	Confident	83.5	Confident	97 Å²	97	54.6 Å²	54.6	59%	0.588	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	127.6	159.2	-178.7	0	0	0	0	107.4	D82 R86	V80-D82 PolarHBondContact O-N 2.93Å; V80-R86 CarbonylContact C-O 3.54Å; V80-R86 WeakPolarHBondContact CA-O 3.45Å
81	N	73.8	Confident	83.8	Confident	15 Å²	15	52.3 Å²	52.3	8%	0.08	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	100.6	173.4	177.1	-12.2	0	0	0	109	Q83 E84 G85 R86 E88	N81-Q83 PolarHBondContact O-N 2.81Å; N81-Q83 WeakPolarHBondContact OD1-CB 3.4Å; N81-Q83 PolarHBondContact OD1-N 2.98Å; N81-E84 PolarHBondContact O-N 3.03Å; N81-E84 VanDerWaalsContact O-N 3.13Å; N81-E84 PolarHBondContact OD1-N 2.98Å; N81-G85 PolarHBondContact O-N 2.71Å; N81-R86 PolarHBondContact N-O 3.33Å; N81-E88 HydrophobicContact CB-CG 4.4Å; N81-E88 WeakPolarHBondContact CB-OE1 3.27Å; N81-E88 PolarHBondContact ND2-OE1 3.05Å
82	D	72.1	Confident	83.9	Confident	158 Å²	158	53.1 Å²	53.1	85%	0.845	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-19	-179.8	-65.5	-34.5	0	0	0	114.4	V80	V80-D82 PolarHBondContact O-N 2.93Å
83	Q	66.5	Low	83.9	Confident	129 Å²	129	51.7 Å²	51.7	60%	0.603	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-28.1	-179.4	-54.3	-171.2	15.9	0	0	112.8	N81	N81-Q83 PolarHBondContact O-N 2.81Å; N81-Q83 WeakPolarHBondContact OD1-CB 3.4Å; N81-Q83 PolarHBondContact OD1-N 2.98Å
84	E	71.8	Confident	83.6	Confident	113 Å²	113	53.9 Å²	53.9	53%	0.528	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-11.1	-179.6	-66.5	-154.5	-155.3	0	0	114.4	N81 R86	N81-E84 PolarHBondContact O-N 3.03Å; N81-E84 VanDerWaalsContact O-N 3.13Å; N81-E84 PolarHBondContact OD1-N 2.98Å; E84-R86 VanDerWaalsContact C-N 3.34Å; E84-R86 HydrophobicContact CB-CG 4.26Å; E84-R86 IonicContact OE2-CZ 3.29Å; E84-R86 IonicContact OE2-NE 3.33Å; E84-R86 IonicContact OE2-NH1 3.83Å; E84-R86 IonicContact OE2-NH2 2.66Å; E84-R86 PolarHBondContact OE2-NH2 2.9Å
85	G	74.7	Confident	83.1	Confident	67 Å²	67	54 Å²	54	69%	0.691	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	26.1	-178.6	0	0	0	0	0	114.2	N81	N81-G85 PolarHBondContact O-N 2.71Å
86	R	81.4	Confident	82.7	Confident	111 Å²	111	57.6 Å²	57.6	42%	0.419	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	155	-175	-60.1	-169.4	-161	163.6	19.4	113.1	V80 N81 E84 D105	V80-R86 CarbonylContact C-O 3.54Å; V80-R86 WeakPolarHBondContact CA-O 3.45Å; N81-R86 PolarHBondContact N-O 3.33Å; E84-R86 VanDerWaalsContact C-N 3.34Å; E84-R86 HydrophobicContact CB-CG 4.26Å; E84-R86 IonicContact OE2-CZ 3.29Å; E84-R86 IonicContact OE2-NE 3.33Å; E84-R86 IonicContact OE2-NH1 3.83Å; E84-R86 IonicContact OE2-NH2 2.66Å; E84-R86 PolarHBondContact OE2-NH2 2.9Å; R86-D105 WeakPolarHBondContact CD-OD1 3.48Å; R86-D105 IonicContact CZ-OD1 2.69Å; R86-D105 IonicContact NE-OD1 2.7Å; R86-D105 IonicContact NH1-OD1 3.87Å; R86-D105 PolarHBondContact NH1-OD1 3.05Å; R86-D105 IonicContact NH1-OD2 2.62Å
87	E	86.2	Confident	82.5	Confident	93 Å²	93	59.6 Å²	59.6	44%	0.435	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	126.4	167.4	-172	178.3	-139.5	0	0	110.2	F89	E87-F89 HydrophobicContact CG-CE1 4.26Å; E87-F89 HydrophobicContact CG-CE2 3.91Å; E87-F89 HydrophobicContact CG-CZ 3.6Å; E87-F89 WeakPolarHBondContact OE2-CZ 3.44Å
88	E	89.9	Confident	82.2	Confident	20 Å²	20	60.2 Å²	60.2	9%	0.093	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	146.1	-179.4	-66.9	174.1	-177.7	0	0	110.4	S78 R79 N81 W103 V104	S78-E88 CarbonylContact C-O 3.54Å; S78-E88 VanDerWaalsContact CA-O 3.3Å; S78-E88 WeakPolarHBondContact CA-O 3.39Å; R79-E88 HydrophobicContact CG-CB 4.1Å; R79-E88 IonicContact CZ-OE2 3.75Å; R79-E88 PolarHBondContact N-O 3.09Å; R79-E88 IonicContact NE-OE2 3.81Å; R79-E88 PolarHBondContact NE-OE2 3.14Å; R79-E88 IonicContact NH2-OE2 3.12Å; R79-E88 PolarHBondContact NH2-OE2 3.16Å; R79-E88 PolarHBondContact O-N 3.08Å; N81-E88 HydrophobicContact CB-CG 4.4Å; N81-E88 WeakPolarHBondContact CB-OE1 3.27Å; N81-E88 PolarHBondContact ND2-OE1 3.05Å; E88-W103 HydrophobicContact CB-CB 4.38Å; E88-W103 HydrophobicContact CB-CE3 4.02Å; E88-V104 WeakPolarHBondContact CA-O 3.46Å
89	F	90.1	Very high	81.9	Confident	3 Å²	3	64.5 Å²	64.5	1%	0.013	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127	-178.1	-59.9	-82.1	0	0	0	110.4	V55 V75 Q77 E87 V91 W103 V104 K106 L109	V55-F89 HydrophobicContact CB-CD1 4.06Å; V55-F89 HydrophobicContact CB-CE1 3.46Å; V55-F89 VanDerWaalsContact CB-CE1 3.46Å; V55-F89 HydrophobicContact CB-CE2 4.28Å; V55-F89 HydrophobicContact CB-CZ 3.58Å; V55-F89 HydrophobicContact CG1-CD1 3.68Å; V55-F89 HydrophobicContact CG1-CE1 3.64Å; V55-F89 HydrophobicContact CG1-CG 4.18Å; V55-F89 HydrophobicContact CG1-CZ 4.09Å; V55-F89 HydrophobicContact CG2-CD2 4.43Å; V55-F89 HydrophobicContact CG2-CE1 3.91Å; V55-F89 HydrophobicContact CG2-CE2 3.79Å; V55-F89 HydrophobicContact CG2-CZ 3.48Å; V55-F89 VanDerWaalsContact CG2-CZ 3.48Å; V75-F89 HydrophobicContact CG1-CB 4.17Å; V75-F89 HydrophobicContact CG1-CD1 3.87Å; V75-F89 HydrophobicContact CG1-CG 4.42Å; Q77-F89 CarbonylContact O-C 3.55Å; Q77-F89 WeakPolarHBondContact O-CA 3.42Å; E87-F89 HydrophobicContact CG-CE1 4.26Å; E87-F89 HydrophobicContact CG-CE2 3.91Å; E87-F89 HydrophobicContact CG-CZ 3.6Å; E87-F89 WeakPolarHBondContact OE2-CZ 3.44Å; F89-V91 HydrophobicContact CB-CG1 4.44Å; F89-W103 CarbonylContact O-C 3.49Å; F89-W103 WeakPolarHBondContact O-CA 3.39Å; F89-V104 HydrophobicContact CB-CG2 4.33Å; F89-V104 PolarHBondContact N-O 3.2Å; F89-V104 PolarHBondContact O-N 3.35Å; F89-K106 HydrophobicContact CE2-CB 3.92Å; F89-K106 HydrophobicContact CE2-CG 4Å; F89-L109 HydrophobicContact CB-CD1 4.31Å; F89-L109 HydrophobicContact CD2-CD1 3.91Å; F89-L109 HydrophobicContact CG-CD1 4.1Å
90	Y	90.1	Very high	81.9	Confident	7 Å²	7	64.7 Å²	64.7	3%	0.027	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	118.8	171.9	-168	-95.5	0	0	0	109.1	I76 Q77 D101 W103 K175 V176 K177	I76-Y90 HydrophobicContact CB-CD1 4.21Å; I76-Y90 HydrophobicContact CD1-CD1 4.46Å; I76-Y90 PolarHBondContact N-O 3.26Å; Q77-Y90 PolarHBondContact O-N 3.02Å; Y90-D101 HydrophobicContact CE1-CB 3.81Å; Y90-D101 HydrophobicContact CE2-CB 4.46Å; Y90-D101 WeakPolarHBondContact OH-CB 3.26Å; Y90-W103 AromaticContact CD2-CD1 3.7Å; Y90-W103 AromaticContact CD2-CD2 3.97Å; Y90-W103 HydrophobicContact CD2-CD2 3.97Å; Y90-W103 AromaticContact CD2-CE2 3.7Å; Y90-W103 HydrophobicContact CD2-CG 4.01Å; Y90-W103 HydrophobicContact CD2-CZ2 4.3Å; Y90-W103 AromaticContact CD2-NE1 3.5Å; Y90-W103 HydrophobicContact CG-CD2 4.44Å; Y90-W103 HydrophobicContact CG-CZ2 4.5Å; Y90-K175 WeakPolarHBondContact CE1-O 3.3Å; Y90-K175 PolarHBondContact OH-O 2.77Å; Y90-V176 HydrophobicContact CD1-CB 4.32Å; Y90-V176 HydrophobicContact CD1-CG1 4.25Å; Y90-V176 HydrophobicContact CD1-CG2 3.81Å; Y90-V176 HydrophobicContact CD2-CG1 3.98Å; Y90-V176 HydrophobicContact CE1-CB 4.46Å; Y90-V176 HydrophobicContact CE1-CG2 4.21Å; Y90-V176 HydrophobicContact CE2-CG1 4.38Å; Y90-V176 HydrophobicContact CG-CB 4.43Å; Y90-V176 HydrophobicContact CG-CG1 3.86Å; Y90-V176 HydrophobicContact CG-CG2 4.19Å; Y90-K177 HydrophobicContact CE2-CB 3.94Å; Y90-K177 PolarHBondContact OH-N 3.49Å
91	V	90.6	Very high	82.2	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.7	-174	-66.6	0	0	0	0	112.5	A73 E74 V75 F89 Y93 D101 E102 V104 L109	A73-V91 HydrophobicContact CB-CB 4.04Å; E74-V91 VanDerWaalsContact O-CA 3.3Å; E74-V91 WeakPolarHBondContact O-CA 3.35Å; V75-V91 HydrophobicContact CG2-CG1 3.97Å; F89-V91 HydrophobicContact CB-CG1 4.44Å; V91-Y93 HydrophobicContact CG2-CE2 4.34Å; V91-D101 VanDerWaalsContact O-CA 3.32Å; V91-D101 WeakPolarHBondContact O-CA 3.49Å; V91-D101 WeakPolarHBondContact O-CB 3.4Å; V91-E102 HydrophobicContact CG2-CG 4.46Å; V91-E102 WeakPolarHBondContact CG2-O 3.32Å; V91-E102 PolarHBondContact N-O 3.35Å; V91-E102 PolarHBondContact O-N 3.06Å; V91-V104 HydrophobicContact CG1-CG2 3.95Å; V91-V104 HydrophobicContact CG2-CG1 3.72Å; V91-V104 HydrophobicContact CG2-CG2 4.07Å; V91-L109 HydrophobicContact CG1-CD2 4.25Å
92	H	89.6	Confident	83	Confident	36 Å²	36	61.4 Å²	61.4	17%	0.167	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.2	169.5	173.7	57.6	0	0	0	110.6	A73 E74 I76 V94 F96 D101	A73-H92 CarbonylContact C-O 3.47Å; A73-H92 WeakPolarHBondContact CA-O 3.45Å; A73-H92 WeakPolarHBondContact CB-O 3.25Å; E74-H92 PolarHBondContact N-O 3.34Å; E74-H92 PolarHBondContact O-N 2.77Å; I76-H92 HydrophobicContact CD1-CB 3.55Å; I76-H92 HydrophobicContact CG1-CB 4.32Å; H92-V94 PolarHBondContact O-N 2.77Å; H92-F96 PolarHBondContact CE1-O 3.16Å; H92-D101 WeakPolarHBondContact CA-OD1 3.47Å; H92-D101 IonicContact CE1-OD1 3.38Å; H92-D101 IonicContact CG-OD1 2.93Å; H92-D101 IonicContact CG-OD2 2.69Å; H92-D101 VanDerWaalsContact ND1-CG 3.33Å; H92-D101 IonicContact ND1-OD1 2.86Å; H92-D101 PolarHBondContact ND1-OD1 3.17Å; H92-D101 IonicContact ND1-OD2 2.64Å; H92-D101 PolarHBondContact ND1-OD2 2.92Å; H92-D101 VanDerWaalsContact ND1-OD2 3.12Å
93	Y	87.6	Confident	83.8	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	115.8	-179.5	-70.3	-69.3	0	0	0	111.1	C63 R65 H71 A73 V91 G95 F96 L100 E102 R108	C63-Y93 HydrophobicContact CB-CE1 3.85Å; C63-Y93 PolarHBondContact SG-OH 3.39Å; R65-Y93 HydrophobicContact CG-CD1 4.43Å; R65-Y93 HydrophobicContact CG-CE1 3.65Å; R65-Y93 HydrophobicContact CG-CE2 4.18Å; H71-Y93 HydrophobicContact CB-CD1 3.65Å; H71-Y93 HydrophobicContact CB-CE1 4.05Å; A73-Y93 HydrophobicContact CB-CD1 3.75Å; A73-Y93 HydrophobicContact CB-CE1 3.95Å; V91-Y93 HydrophobicContact CG2-CE2 4.34Å; Y93-G95 PolarHBondContact O-N 3.12Å; Y93-F96 WeakPolarHBondContact O-CB 3.35Å; Y93-F96 PolarHBondContact O-N 2.95Å; Y93-L100 HydrophobicContact CD2-CB 4.46Å; Y93-L100 WeakPolarHBondContact CD2-O 3.45Å; Y93-L100 WeakPolarHBondContact CE2-O 3.41Å; Y93-E102 HydrophobicContact CE2-CG 4.03Å; Y93-E102 PolarHBondContact OH-OE1 2.87Å; Y93-R108 PolarHBondContact OH-NH2 3.02Å
94	V	83.2	Confident	84.9	Confident	47 Å²	47	48.7 Å²	48.7	29%	0.285	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	122.1	-172.8	179.5	0	0	0	0	110.8	T60 S72 H92 F96	T60-V94 HydrophobicContact CG2-CG2 4.28Å; S72-V94 PolarHBondContact O-N 3.26Å; H92-V94 PolarHBondContact O-N 2.77Å; V94-F96 VanDerWaalsContact C-N 3.35Å; V94-F96 WeakPolarHBondContact O-CD2 3.47Å
95	G	78.6	Confident	85.7	Confident	65 Å²	65	45.3 Å²	45.3	67%	0.67	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.4	5.3	-177.9	0	0	0	0	0	115.1	Y93	Y93-G95 PolarHBondContact O-N 3.12Å
96	F	82.4	Confident	86.3	Confident	77 Å²	77	45.3 Å²	45.3	34%	0.338	22%	0.221	S	C	.	.	S	Bend	trans	-106.6	164.6	174.5	-67	-93.7	0	0	0	111.9	H71 H92 Y93 V94 L100	H71-F96 AromaticContact CE1-CZ 3.73Å; H71-F96 AromaticContact ND1-CE2 3.45Å; H71-F96 WeakPolarHBondContact ND1-CE2 3.32Å; H71-F96 AromaticContact ND1-CZ 3.42Å; H71-F96 WeakPolarHBondContact ND1-CZ 3.37Å; H92-F96 PolarHBondContact CE1-O 3.16Å; Y93-F96 WeakPolarHBondContact O-CB 3.35Å; Y93-F96 PolarHBondContact O-N 2.95Å; V94-F96 VanDerWaalsContact C-N 3.35Å; V94-F96 WeakPolarHBondContact O-CD2 3.47Å; F96-L100 HydrophobicContact CB-CD1 4.26Å; F96-L100 HydrophobicContact CD1-CD1 3.95Å; F96-L100 HydrophobicContact CG-CD1 4.46Å
97	N	81.4	Confident	86.5	Confident	70 Å²	70	44.5 Å²	44.5	37%	0.374	23%	0.225	S	C	.	.			trans	-79.8	137.8	176.6	179.4	-91.4	0	0	0	110.9	R99 L100 Y193	N97-R99 HydrophobicContact CB-CG 4.39Å; N97-R99 PolarHBondContact O-N 2.62Å; N97-R99 WeakPolarHBondContact OD1-CB 3.36Å; N97-R99 WeakPolarHBondContact OD1-CD 3.49Å; N97-R99 WeakPolarHBondContact OD1-CG 3.4Å; N97-R99 PolarHBondContact OD1-N 3.39Å; N97-L100 PolarHBondContact O-N 2.83Å; N97-Y193 PolarHBondContact OD1-OH 3.49Å
98	R	82.9	Confident	86.6	Confident	70 Å²	70	41.8 Å²	41.8	26%	0.264	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-50.9	-20.6	-176.2	-70.7	-165.8	-177.5	136.6	2	116.2	L100 D101 E171	R98-L100 PolarHBondContact O-N 2.84Å; R98-D101 WeakPolarHBondContact CA-OD2 3.38Å; R98-D101 WeakPolarHBondContact CB-OD2 3.12Å; R98-D101 WeakPolarHBondContact CG-OD2 3.32Å; R98-D101 VanDerWaalsContact O-CB 3.27Å; R98-D101 WeakPolarHBondContact O-CB 3.46Å; R98-D101 PolarHBondContact O-N 2.85Å; R98-E171 IonicContact CZ-OE2 3.81Å; R98-E171 IonicContact NH1-OE2 2.86Å; R98-E171 PolarHBondContact NH1-OE2 3.43Å; R98-E171 IonicContact NH2-OE2 3.95Å; R98-E171 PolarHBondContact NH2-OE2 3.24Å
99	R	80	Confident	86.5	Confident	133 Å²	133	41.3 Å²	41.3	50%	0.502	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-58.1	-12.1	171	78.5	-175.4	-172.3	-162.3	-5.5	115.1	N97 W192 Y193	N97-R99 HydrophobicContact CB-CG 4.39Å; N97-R99 PolarHBondContact O-N 2.62Å; N97-R99 WeakPolarHBondContact OD1-CB 3.36Å; N97-R99 WeakPolarHBondContact OD1-CD 3.49Å; N97-R99 WeakPolarHBondContact OD1-CG 3.4Å; N97-R99 PolarHBondContact OD1-N 3.39Å; R99-W192 WeakPolarHBondContact CA-O 3.3Å; R99-W192 HydrophobicContact CB-CB 3.94Å; R99-W192 HydrophobicContact CB-CG 4.3Å; R99-Y193 HydrophobicContact CB-CE1 4.25Å
100	L	84.8	Confident	86.3	Confident	48 Å²	48	41.9 Å²	41.9	25%	0.251	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-102.6	-0.7	178.2	-60.9	-176	0	0	0	112.7	Y93 F96 N97 R98	Y93-L100 HydrophobicContact CD2-CB 4.46Å; Y93-L100 WeakPolarHBondContact CD2-O 3.45Å; Y93-L100 WeakPolarHBondContact CE2-O 3.41Å; F96-L100 HydrophobicContact CB-CD1 4.26Å; F96-L100 HydrophobicContact CD1-CD1 3.95Å; F96-L100 HydrophobicContact CG-CD1 4.46Å; N97-L100 PolarHBondContact O-N 2.83Å; R98-L100 PolarHBondContact O-N 2.84Å
101	D	88.9	Confident	85.7	Confident	5 Å²	5	42.2 Å²	42.2	3%	0.027	22%	0.216	C	C	.	.			trans	-72.6	137.2	177.2	-57.6	-6.3	0	0	0	109.3	Y90 V91 H92 R98	Y90-D101 HydrophobicContact CE1-CB 3.81Å; Y90-D101 HydrophobicContact CE2-CB 4.46Å; Y90-D101 WeakPolarHBondContact OH-CB 3.26Å; V91-D101 VanDerWaalsContact O-CA 3.32Å; V91-D101 WeakPolarHBondContact O-CA 3.49Å; V91-D101 WeakPolarHBondContact O-CB 3.4Å; H92-D101 WeakPolarHBondContact CA-OD1 3.47Å; H92-D101 IonicContact CE1-OD1 3.38Å; H92-D101 IonicContact CG-OD1 2.93Å; H92-D101 IonicContact CG-OD2 2.69Å; H92-D101 VanDerWaalsContact ND1-CG 3.33Å; H92-D101 IonicContact ND1-OD1 2.86Å; H92-D101 PolarHBondContact ND1-OD1 3.17Å; H92-D101 IonicContact ND1-OD2 2.64Å; H92-D101 PolarHBondContact ND1-OD2 2.92Å; H92-D101 VanDerWaalsContact ND1-OD2 3.12Å; R98-D101 WeakPolarHBondContact CA-OD2 3.38Å; R98-D101 WeakPolarHBondContact CB-OD2 3.12Å; R98-D101 WeakPolarHBondContact CG-OD2 3.32Å; R98-D101 VanDerWaalsContact O-CB 3.27Å; R98-D101 WeakPolarHBondContact O-CB 3.46Å; R98-D101 PolarHBondContact O-N 2.85Å
102	E	89.7	Confident	84.8	Confident	37 Å²	37	43.5 Å²	43.5	17%	0.173	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	156.4	-170.8	51.4	174.1	144.5	0	0	111.7	V91 Y93 V104 R108	V91-E102 HydrophobicContact CG2-CG 4.46Å; V91-E102 WeakPolarHBondContact CG2-O 3.32Å; V91-E102 PolarHBondContact N-O 3.35Å; V91-E102 PolarHBondContact O-N 3.06Å; Y93-E102 HydrophobicContact CE2-CG 4.03Å; Y93-E102 PolarHBondContact OH-OE1 2.87Å; E102-V104 HydrophobicContact CG-CG1 3.85Å; E102-R108 IonicContact OE1-CZ 2.59Å; E102-R108 IonicContact OE1-NH1 3.79Å; E102-R108 IonicContact OE1-NH2 3.72Å; E102-R108 PolarHBondContact OE1-NH2 2.89Å; E102-R108 IonicContact OE2-CZ 2.65Å; E102-R108 IonicContact OE2-NH1 2.74Å; E102-R108 PolarHBondContact OE2-NH1 3.27Å; E102-R108 IonicContact OE2-NH2 3.96Å; E102-R108 PolarHBondContact OE2-NH2 3.4Å; E102-R108 VanDerWaalsContact OE2-NH2 3.1Å
103	W	88.6	Confident	83.5	Confident	19 Å²	19	47.9 Å²	47.9	7%	0.072	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	132.7	164.1	-67.6	92.7	0	0	0	109.9	Q77 R79 E88 F89 Y90 V176 K177 D180	Q77-W103 HydrophobicContact CB-CH2 4.2Å; Q77-W103 HydrophobicContact CG-CH2 4.09Å; R79-W103 HydrophobicContact CB-CE3 4.37Å; R79-W103 HydrophobicContact CB-CH2 3.75Å; R79-W103 HydrophobicContact CB-CZ2 4.5Å; R79-W103 HydrophobicContact CB-CZ3 3.69Å; R79-W103 HydrophobicContact CG-CD2 4.17Å; R79-W103 HydrophobicContact CG-CE3 3.64Å; R79-W103 HydrophobicContact CG-CH2 3.82Å; R79-W103 HydrophobicContact CG-CZ2 4.29Å; R79-W103 HydrophobicContact CG-CZ3 3.48Å; R79-W103 VanDerWaalsContact CG-CZ3 3.48Å; R79-W103 VanDerWaalsContact CZ-CD1 3.46Å; R79-W103 VanDerWaalsContact CZ-CG 3.45Å; R79-W103 VanDerWaalsContact NH1-CD1 3.35Å; R79-W103 VanDerWaalsContact NH1-NE1 3.14Å; E88-W103 HydrophobicContact CB-CB 4.38Å; E88-W103 HydrophobicContact CB-CE3 4.02Å; F89-W103 CarbonylContact O-C 3.49Å; F89-W103 WeakPolarHBondContact O-CA 3.39Å; Y90-W103 AromaticContact CD2-CD1 3.7Å; Y90-W103 AromaticContact CD2-CD2 3.97Å; Y90-W103 HydrophobicContact CD2-CD2 3.97Å; Y90-W103 AromaticContact CD2-CE2 3.7Å; Y90-W103 HydrophobicContact CD2-CG 4.01Å; Y90-W103 HydrophobicContact CD2-CZ2 4.3Å; Y90-W103 AromaticContact CD2-NE1 3.5Å; Y90-W103 HydrophobicContact CG-CD2 4.44Å; Y90-W103 HydrophobicContact CG-CZ2 4.5Å; W103-V176 HydrophobicContact CH2-CG1 4Å; W103-V176 HydrophobicContact CZ2-CG1 3.32Å; W103-K177 PolarHBondContact NE1-O 3.37Å; W103-D180 VanDerWaalsContact CD1-OD1 3.3Å; W103-D180 VanDerWaalsContact CD1-OD2 3.27Å
104	V	89.8	Confident	82.2	Confident	2 Å²	2	52 Å²	52	1%	0.012	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138.6	-178.3	-54.1	0	0	0	0	111.5	E88 F89 V91 E102 R108 L109	E88-V104 WeakPolarHBondContact CA-O 3.46Å; F89-V104 HydrophobicContact CB-CG2 4.33Å; F89-V104 PolarHBondContact N-O 3.2Å; F89-V104 PolarHBondContact O-N 3.35Å; V91-V104 HydrophobicContact CG1-CG2 3.95Å; V91-V104 HydrophobicContact CG2-CG1 3.72Å; V91-V104 HydrophobicContact CG2-CG2 4.07Å; E102-V104 HydrophobicContact CG-CG1 3.85Å; V104-R108 HydrophobicContact CB-CB 4.03Å; V104-R108 HydrophobicContact CB-CG 4.49Å; V104-R108 VanDerWaalsContact CG1-CZ 3.41Å; V104-R108 HydrophobicContact CG2-CB 4.35Å; V104-L109 HydrophobicContact CG2-CD2 4.08Å; V104-L109 HydrophobicContact CG2-CG 4.32Å
105	D	88.9	Confident	81.2	Confident	41 Å²	41	50.1 Å²	50.1	22%	0.219	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	147.9	165.9	-74.7	-79.7	0	0	0	110	R86 N107 R108	R86-D105 WeakPolarHBondContact CD-OD1 3.48Å; R86-D105 IonicContact CZ-OD1 2.69Å; R86-D105 IonicContact NE-OD1 2.7Å; R86-D105 IonicContact NH1-OD1 3.87Å; R86-D105 PolarHBondContact NH1-OD1 3.05Å; R86-D105 IonicContact NH1-OD2 2.62Å; D105-N107 HydrophobicContact CB-CB 4.43Å; D105-N107 WeakPolarHBondContact CB-ND2 3.39Å; D105-N107 VanDerWaalsContact CG-ND2 3.31Å; D105-N107 PolarHBondContact O-N 2.75Å; D105-N107 PolarHBondContact OD2-ND2 3.17Å; D105-R108 WeakPolarHBondContact O-CB 3.44Å; D105-R108 PolarHBondContact O-N 2.8Å
106	K	86.6	Confident	80.2	Confident	68 Å²	68	48.5 Å²	48.5	30%	0.296	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-44.7	-36.5	166.6	-161.4	-174.2	-172.5	-153.4	0	113.3	E52 V55 F89 R108 L109 L111	E52-K106 VanDerWaalsContact OE1-CE 3.27Å; E52-K106 WeakPolarHBondContact OE1-CE 3.15Å; E52-K106 IonicContact OE1-NZ 3.84Å; E52-K106 PolarHBondContact OE1-NZ 3.37Å; E52-K106 IonicContact OE2-NZ 3.56Å; V55-K106 HydrophobicContact CG2-CG 4.34Å; F89-K106 HydrophobicContact CE2-CB 3.92Å; F89-K106 HydrophobicContact CE2-CG 4Å; K106-R108 PolarHBondContact O-N 3.13Å; K106-R108 VanDerWaalsContact O-N 3.17Å; K106-L109 PolarHBondContact O-N 2.89Å; K106-L109 VanDerWaalsContact O-N 3.11Å; K106-L111 HydrophobicContact CD-CD1 4.13Å; K106-L111 HydrophobicContact CG-CD1 3.5Å
107	N	86.6	Confident	79.1	Confident	94 Å²	94	48.4 Å²	48.4	50%	0.503	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-66.4	-12.1	-179.5	77.4	56.7	0	0	0	115.2	D105	D105-N107 HydrophobicContact CB-CB 4.43Å; D105-N107 WeakPolarHBondContact CB-ND2 3.39Å; D105-N107 VanDerWaalsContact CG-ND2 3.31Å; D105-N107 PolarHBondContact O-N 2.75Å; D105-N107 PolarHBondContact OD2-ND2 3.17Å
108	R	88.9	Confident	78.1	Confident	35 Å²	35	47.7 Å²	47.7	13%	0.132	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-89.1	-9.5	174.9	-68.8	179.8	56.6	-175.5	-6.9	112.6	C63 R64 W70 Y93 E102 V104 D105 K106	C63-R108 CarbonylContact C-O 3.37Å; C63-R108 WeakPolarHBondContact CA-O 3.25Å; R64-R108 PolarHBondContact N-O 3.1Å; R64-R108 PolarHBondContact O-NE 3.28Å; R64-R108 PolarHBondContact O-NH2 3.32Å; W70-R108 WeakPolarHBondContact CZ3-O 3.41Å; Y93-R108 PolarHBondContact OH-NH2 3.02Å; E102-R108 IonicContact OE1-CZ 2.59Å; E102-R108 IonicContact OE1-NH1 3.79Å; E102-R108 IonicContact OE1-NH2 3.72Å; E102-R108 PolarHBondContact OE1-NH2 2.89Å; E102-R108 IonicContact OE2-CZ 2.65Å; E102-R108 IonicContact OE2-NH1 2.74Å; E102-R108 PolarHBondContact OE2-NH1 3.27Å; E102-R108 IonicContact OE2-NH2 3.96Å; E102-R108 PolarHBondContact OE2-NH2 3.4Å; E102-R108 VanDerWaalsContact OE2-NH2 3.1Å; V104-R108 HydrophobicContact CB-CB 4.03Å; V104-R108 HydrophobicContact CB-CG 4.49Å; V104-R108 VanDerWaalsContact CG1-CZ 3.41Å; V104-R108 HydrophobicContact CG2-CB 4.35Å; D105-R108 WeakPolarHBondContact O-CB 3.44Å; D105-R108 PolarHBondContact O-N 2.8Å; K106-R108 PolarHBondContact O-N 3.13Å; K106-R108 VanDerWaalsContact O-N 3.17Å
109	L	88.1	Confident	77	Confident	10 Å²	10	44.6 Å²	44.6	5%	0.052	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-96.6	140.9	176.9	-56.6	179	0	0	0	110.7	V55 C63 V75 F89 V91 V104 K106 L111	V55-L109 HydrophobicContact CG1-CD1 3.78Å; V55-L109 HydrophobicContact CG2-CD1 4.02Å; C63-L109 HydrophobicContact CB-CD2 3.76Å; V75-L109 HydrophobicContact CG2-CD1 4.25Å; F89-L109 HydrophobicContact CB-CD1 4.31Å; F89-L109 HydrophobicContact CD2-CD1 3.91Å; F89-L109 HydrophobicContact CG-CD1 4.1Å; V91-L109 HydrophobicContact CG1-CD2 4.25Å; V104-L109 HydrophobicContact CG2-CD2 4.08Å; V104-L109 HydrophobicContact CG2-CG 4.32Å; K106-L109 PolarHBondContact O-N 2.89Å; K106-L109 VanDerWaalsContact O-N 3.11Å; L109-L111 HydrophobicContact CB-CD1 4.27Å; L109-L111 HydrophobicContact CB-CD2 3.64Å; L109-L111 HydrophobicContact CB-CG 3.77Å; L109-L111 HydrophobicContact CD1-CD2 4.32Å; L109-L111 PolarHBondContact O-N 3.45Å
110	A	84.1	Confident	76	Confident	16 Å²	16	41.3 Å²	41.3	13%	0.132	22%	0.217	C	C	.	.			trans	-86.3	84.7	176.4	0	0	0	0	0	111	L62 W70 T112 V115	L62-A110 HydrophobicContact CB-CB 4.02Å; L62-A110 PolarHBondContact O-N 3.32Å; W70-A110 HydrophobicContact CE3-CB 4.43Å; W70-A110 HydrophobicContact CH2-CB 4.19Å; W70-A110 HydrophobicContact CZ3-CB 3.77Å; A110-T112 PolarHBondContact O-N 3.24Å; A110-V115 HydrophobicContact CB-CB 4.38Å; A110-V115 HydrophobicContact CB-CG1 3.66Å
111	L	78.3	Confident	74.8	Confident	14 Å²	14	45.6 Å²	45.6	7%	0.073	23%	0.234	C	C	.	.			trans	-93.8	46.5	-167.8	-57.8	-179.6	0	0	0	114.8	E52 V53 V55 Y61 K106 L109	E52-L111 WeakPolarHBondContact CA-O 3.48Å; E52-L111 HydrophobicContact CG-CB 4.27Å; V53-L111 PolarHBondContact N-O 3.1Å; V55-L111 HydrophobicContact CG2-CD1 3.52Å; V55-L111 HydrophobicContact CG2-CD2 3.85Å; V55-L111 HydrophobicContact CG2-CG 4.35Å; Y61-L111 HydrophobicContact CD1-CD2 3.62Å; Y61-L111 HydrophobicContact CE1-CD2 3.7Å; Y61-L111 HydrophobicContact CG-CD2 4.42Å; K106-L111 HydrophobicContact CD-CD1 4.13Å; K106-L111 HydrophobicContact CG-CD1 3.5Å; L109-L111 HydrophobicContact CB-CD1 4.27Å; L109-L111 HydrophobicContact CB-CD2 3.64Å; L109-L111 HydrophobicContact CB-CG 3.77Å; L109-L111 HydrophobicContact CD1-CD2 4.32Å; L109-L111 PolarHBondContact O-N 3.45Å
112	T	72.3	Confident	73.3	Confident	27 Å²	27	49.4 Å²	49.4	17%	0.166	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-111.2	149.2	168.4	99.5	0	0	0	0	110.4	P46 E50 A110 T114 V115 K116	P46-T112 HydrophobicContact CB-CG2 4.3Å; E50-T112 WeakPolarHBondContact OE2-CB 3.48Å; E50-T112 PolarHBondContact OE2-OG1 3Å; A110-T112 PolarHBondContact O-N 3.24Å; T112-T114 VanDerWaalsContact C-N 3.33Å; T112-T114 PolarHBondContact O-N 3.38Å; T112-V115 PolarHBondContact O-N 2.83Å; T112-V115 WeakPolarHBondContact OG1-CG2 3.37Å; T112-K116 PolarHBondContact O-N 3.4Å
113	K	61.4	Low	71.6	Confident	127 Å²	127	48.7 Å²	48.7	55%	0.552	25%	0.253	S	S	*	.	H	α-helix	trans	-59	-44.7	-174.5	-172.2	175.2	-179.2	177.7	0	112.2	V53 V115 K116 D117	V53-K113 HydrophobicContact CG2-CB 4.15Å; K113-V115 PolarHBondContact O-N 2.77Å; K113-K116 PolarHBondContact O-N 3.2Å; K113-D117 WeakPolarHBondContact O-CB 3.36Å; K113-D117 VanDerWaalsContact O-CG 3.31Å; K113-D117 PolarHBondContact O-N 3.18Å
114	T	59.9	Low	70.1	Confident	86 Å²	86	53.3 Å²	53.3	53%	0.528	28%	0.275	S	S	.	.	H	α-helix	trans	-57.2	-31.3	176.3	-53.9	0	0	0	0	112.3	E50 T112 A118	E50-T114 VanDerWaalsContact CD-OG1 3.22Å; E50-T114 WeakPolarHBondContact OE1-CB 3.29Å; E50-T114 PolarHBondContact OE1-OG1 3.35Å; E50-T114 PolarHBondContact OE2-OG1 3.49Å; T112-T114 VanDerWaalsContact C-N 3.33Å; T112-T114 PolarHBondContact O-N 3.38Å; T114-A118 WeakPolarHBondContact O-CB 3.32Å; T114-A118 PolarHBondContact O-N 3.43Å
115	V	62	Low	68.4	Low	8 Å²	8	58.5 Å²	58.5	5%	0.048	30%	0.298	C	S	.	.	H	α-helix	trans	-82.9	-41.1	177.3	-174.2	0	0	0	0	112.2	P44 L62 A110 T112 K113 D117 A118 V119	P44-V115 HydrophobicContact CB-CG2 3.99Å; P44-V115 HydrophobicContact CG-CB 4.26Å; P44-V115 HydrophobicContact CG-CG1 3.83Å; P44-V115 HydrophobicContact CG-CG2 3.4Å; P44-V115 VanDerWaalsContact CG-CG2 3.4Å; L62-V115 HydrophobicContact CB-CG1 4.48Å; L62-V115 HydrophobicContact CD1-CG1 3.95Å; A110-V115 HydrophobicContact CB-CB 4.38Å; A110-V115 HydrophobicContact CB-CG1 3.66Å; T112-V115 PolarHBondContact O-N 2.83Å; T112-V115 WeakPolarHBondContact OG1-CG2 3.37Å; K113-V115 PolarHBondContact O-N 2.77Å; V115-D117 VanDerWaalsContact C-N 3.33Å; V115-D117 PolarHBondContact O-N 3.1Å; V115-A118 PolarHBondContact O-N 3.27Å; V115-A118 VanDerWaalsContact O-N 3.16Å; V115-V119 HydrophobicContact CG1-CG2 4.31Å; V115-V119 WeakPolarHBondContact O-CG2 3.19Å; V115-V119 PolarHBondContact O-N 2.85Å
116	K	58.5	Low	66.6	Low	31 Å²	31	61.4 Å²	61.4	14%	0.135	31%	0.307	C	S	.	.	H	α-helix	trans	-57.3	-47.9	173.5	-164.3	-177.3	-176.3	-163.4	0	110.6	E56 E59 Y61 T112 K113 A118 V119 Q120	E56-K116 IonicContact OE2-NZ 3.55Å; E56-K116 PolarHBondContact OE2-NZ 2.78Å; E59-K116 VanDerWaalsContact OE2-CE 3.22Å; E59-K116 WeakPolarHBondContact OE2-CE 3.41Å; E59-K116 IonicContact OE2-NZ 2.63Å; E59-K116 PolarHBondContact OE2-NZ 2.69Å; E59-K116 VanDerWaalsContact OE2-NZ 3.09Å; Y61-K116 HydrophobicContact CE1-CD 4.1Å; Y61-K116 HydrophobicContact CE1-CG 4.32Å; T112-K116 PolarHBondContact O-N 3.4Å; K113-K116 PolarHBondContact O-N 3.2Å; K116-A118 VanDerWaalsContact C-N 3.26Å; K116-A118 PolarHBondContact O-N 3.02Å; K116-V119 PolarHBondContact O-N 2.82Å; K116-V119 VanDerWaalsContact O-N 3.11Å; K116-Q120 PolarHBondContact O-N 3.15Å
117	D	59.7	Low	64.7	Low	75 Å²	75	63.3 Å²	63.3	40%	0.401	32%	0.319	S	S	.	.	H	α-helix	trans	-62.4	-29.5	178.5	-67	-7.6	0	0	0	113.2	K113 V115 K121	K113-D117 WeakPolarHBondContact O-CB 3.36Å; K113-D117 VanDerWaalsContact O-CG 3.31Å; K113-D117 PolarHBondContact O-N 3.18Å; V115-D117 VanDerWaalsContact C-N 3.33Å; V115-D117 PolarHBondContact O-N 3.1Å; D117-K121 WeakPolarHBondContact O-CD 3.24Å; D117-K121 WeakPolarHBondContact O-CG 3.28Å
118	A	59.5	Low	63	Low	55 Å²	55	61.3 Å²	61.3	46%	0.455	31%	0.312	S	S	.	.	H	α-helix	trans	-78.4	-34.5	175.2	0	0	0	0	0	112.5	T114 V115 K116 N122	T114-A118 WeakPolarHBondContact O-CB 3.32Å; T114-A118 PolarHBondContact O-N 3.43Å; V115-A118 PolarHBondContact O-N 3.27Å; V115-A118 VanDerWaalsContact O-N 3.16Å; K116-A118 VanDerWaalsContact C-N 3.26Å; K116-A118 PolarHBondContact O-N 3.02Å; A118-N122 WeakPolarHBondContact O-CB 3.1Å; A118-N122 PolarHBondContact O-N 2.65Å; A118-N122 VanDerWaalsContact O-N 3.1Å
119	V	59.5	Low	61	Low	5 Å²	5	64.3 Å²	64.3	3%	0.03	33%	0.328	C	S	.	.	H	α-helix	trans	-71.1	-43.5	176.7	173.8	0	0	0	0	111.3	T60 L62 V115 K116 K121 N122 S123	T60-V119 HydrophobicContact CG2-CG1 3.84Å; T60-V119 WeakPolarHBondContact O-CG1 3.14Å; L62-V119 HydrophobicContact CB-CG2 4.05Å; L62-V119 HydrophobicContact CD1-CG2 3.49Å; L62-V119 VanDerWaalsContact CD1-CG2 3.49Å; L62-V119 HydrophobicContact CG-CG2 3.46Å; L62-V119 VanDerWaalsContact CG-CG2 3.46Å; V115-V119 HydrophobicContact CG1-CG2 4.31Å; V115-V119 WeakPolarHBondContact O-CG2 3.19Å; V115-V119 PolarHBondContact O-N 2.85Å; K116-V119 PolarHBondContact O-N 2.82Å; K116-V119 VanDerWaalsContact O-N 3.11Å; V119-K121 PolarHBondContact O-N 2.59Å; V119-N122 PolarHBondContact O-N 2.76Å; V119-S123 WeakPolarHBondContact O-CB 3.34Å; V119-S123 PolarHBondContact O-N 2.94Å
120	Q	59.6	Low	59	Low	64 Å²	64	67.9 Å²	67.9	30%	0.299	35%	0.347	S	S	.	.	H	α-helix	trans	-52.6	-55.1	175	-136.6	78.9	-4.4	0	0	110.2	E59 K116 N122 S123 E124	E59-Q120 PolarHBondContact OE2-NE2 2.9Å; E59-Q120 VanDerWaalsContact OE2-NE2 3.08Å; K116-Q120 PolarHBondContact O-N 3.15Å; Q120-N122 VanDerWaalsContact C-N 3.33Å; Q120-N122 PolarHBondContact O-N 3.39Å; Q120-S123 WeakPolarHBondContact O-CB 3.45Å; Q120-S123 PolarHBondContact O-N 2.59Å; Q120-S123 VanDerWaalsContact O-N 3.14Å; Q120-E124 WeakPolarHBondContact O-CB 3.35Å; Q120-E124 VanDerWaalsContact O-CG 3.26Å; Q120-E124 WeakPolarHBondContact O-CG 3.39Å; Q120-E124 PolarHBondContact O-N 2.88Å
121	K	58.9	Low	57	Low	139 Å²	139	71.3 Å²	71.3	60%	0.604	38%	0.375	S	S	*	.	H	α-helix	trans	-60.9	-36.6	-179.8	-70.7	170.1	-174.7	163.2	0	113.5	D117 V119 K125	D117-K121 WeakPolarHBondContact O-CD 3.24Å; D117-K121 WeakPolarHBondContact O-CG 3.28Å; V119-K121 PolarHBondContact O-N 2.59Å; K121-K125 WeakPolarHBondContact O-CB 2.87Å; K121-K125 PolarHBondContact O-N 2.74Å
122	N	57.3	Low	55.1	Low	85 Å²	85	77.6 Å²	77.6	46%	0.455	40%	0.404	S	S	.	.	H	α-helix	trans	-77.7	-29.5	178.9	-164.1	70.1	0	0	0	112.3	A118 V119 Q120 Y126	A118-N122 WeakPolarHBondContact O-CB 3.1Å; A118-N122 PolarHBondContact O-N 2.65Å; A118-N122 VanDerWaalsContact O-N 3.1Å; V119-N122 PolarHBondContact O-N 2.76Å; Q120-N122 VanDerWaalsContact C-N 3.33Å; Q120-N122 PolarHBondContact O-N 3.39Å; N122-Y126 WeakPolarHBondContact O-CB 3.34Å; N122-Y126 PolarHBondContact O-N 3.48Å
123	S	54.4	Low	53.2	Low	21 Å²	21	83 Å²	83	15%	0.147	43%	0.427	C	S	.	.	H	α-helix	trans	-70.9	-48.8	172.3	-163.3	0	0	0	0	111	V119 Q120 K125 Y126 L127	V119-S123 WeakPolarHBondContact O-CB 3.34Å; V119-S123 PolarHBondContact O-N 2.94Å; Q120-S123 WeakPolarHBondContact O-CB 3.45Å; Q120-S123 PolarHBondContact O-N 2.59Å; Q120-S123 VanDerWaalsContact O-N 3.14Å; S123-K125 VanDerWaalsContact C-N 3.32Å; S123-K125 PolarHBondContact O-N 3.22Å; S123-Y126 PolarHBondContact O-N 3.02Å; S123-Y126 VanDerWaalsContact O-N 3.13Å; S123-L127 WeakPolarHBondContact O-CB 3.33Å; S123-L127 WeakPolarHBondContact O-CG 3.3Å; S123-L127 PolarHBondContact O-N 3.4Å
124	E	57.5	Low	52	Low	116 Å²	116	81.9 Å²	81.9	54%	0.542	43%	0.433	S	S	.	.	H	α-helix	trans	-54.6	-46.5	171.6	-71.6	164.9	177.3	0	0	111.4	Q120 L127 S128	Q120-E124 WeakPolarHBondContact O-CB 3.35Å; Q120-E124 VanDerWaalsContact O-CG 3.26Å; Q120-E124 WeakPolarHBondContact O-CG 3.39Å; Q120-E124 PolarHBondContact O-N 2.88Å; E124-L127 PolarHBondContact O-N 2.92Å; E124-S128 WeakPolarHBondContact O-CB 3.47Å; E124-S128 PolarHBondContact O-N 2.96Å
125	K	54.1	Low	50.9	Low	112 Å²	112	85.2 Å²	85.2	49%	0.487	44%	0.443	S	S	.	.	H	α-helix	trans	-63.5	-39.9	176.1	-175.7	172	-177.8	-68.5	0	112.6	K121 S123 S128 E129	K121-K125 WeakPolarHBondContact O-CB 2.87Å; K121-K125 PolarHBondContact O-N 2.74Å; S123-K125 VanDerWaalsContact C-N 3.32Å; S123-K125 PolarHBondContact O-N 3.22Å; K125-S128 PolarHBondContact O-N 3.43Å; K125-E129 IonicContact NZ-OE1 2.66Å; K125-E129 PolarHBondContact NZ-OE1 2.88Å; K125-E129 WeakPolarHBondContact O-CB 3.21Å; K125-E129 WeakPolarHBondContact O-CG 3.36Å; K125-E129 PolarHBondContact O-N 2.99Å
126	Y	50.4	Low	49.9	Very low	102 Å²	102	95 Å²	95	40%	0.4	48%	0.479	S	S	.	.	H	α-helix	trans	-68.8	-38	176.3	-175.8	-113.1	0	0	0	112.3	N122 S123 E129 L130	N122-Y126 WeakPolarHBondContact O-CB 3.34Å; N122-Y126 PolarHBondContact O-N 3.48Å; S123-Y126 PolarHBondContact O-N 3.02Å; S123-Y126 VanDerWaalsContact O-N 3.13Å; Y126-E129 PolarHBondContact O-N 2.95Å; Y126-L130 HydrophobicContact CD1-CD1 3.92Å; Y126-L130 HydrophobicContact CE1-CD1 3.61Å; Y126-L130 HydrophobicContact CE1-CG 4.37Å; Y126-L130 WeakPolarHBondContact O-CB 3.3Å; Y126-L130 WeakPolarHBondContact O-CG 3.5Å; Y126-L130 PolarHBondContact O-N 3.06Å
127	L	48.1	Very low	49.2	Very low	107 Å²	107	103.8 Å²	103.8	56%	0.56	52%	0.517	S	S	*	.	H	α-helix	trans	-65.8	-38.3	172.7	-70.3	165.9	0	0	0	111.7	S123 E124 L130 A131	S123-L127 WeakPolarHBondContact O-CB 3.33Å; S123-L127 WeakPolarHBondContact O-CG 3.3Å; S123-L127 PolarHBondContact O-N 3.4Å; E124-L127 PolarHBondContact O-N 2.92Å; L127-L130 PolarHBondContact O-N 2.86Å; L127-A131 WeakPolarHBondContact O-CB 3.34Å; L127-A131 PolarHBondContact O-N 3.22Å
128	S	49.8	Very low	48.3	Very low	52 Å²	52	104 Å²	104	36%	0.364	52%	0.517	S	S	.	.	H	α-helix	trans	-65.1	-45.7	171.3	-157.9	0	0	0	0	111.5	E124 K125 L130 A131 E132	E124-S128 WeakPolarHBondContact O-CB 3.47Å; E124-S128 PolarHBondContact O-N 2.96Å; K125-S128 PolarHBondContact O-N 3.43Å; S128-L130 PolarHBondContact O-N 2.86Å; S128-A131 PolarHBondContact O-N 2.81Å; S128-E132 WeakPolarHBondContact O-CB 3.41Å; S128-E132 WeakPolarHBondContact O-CG 3.42Å; S128-E132 PolarHBondContact O-N 2.82Å; S128-E132 PolarHBondContact OG-OE2 2.94Å
129	E	47.9	Very low	47.9	Very low	99 Å²	99	105.3 Å²	105.3	46%	0.463	52%	0.519	S	S	.	.	H	α-helix	trans	-65.7	-22.2	176.7	-76.5	175.4	-174.7	0	0	113.5	K125 Y126 Q133	K125-E129 IonicContact NZ-OE1 2.66Å; K125-E129 PolarHBondContact NZ-OE1 2.88Å; K125-E129 WeakPolarHBondContact O-CB 3.21Å; K125-E129 WeakPolarHBondContact O-CG 3.36Å; K125-E129 PolarHBondContact O-N 2.99Å; Y126-E129 PolarHBondContact O-N 2.95Å; E129-Q133 WeakPolarHBondContact O-CG 3.22Å
130	L	45	Very low	47.2	Very low	85 Å²	85	116.3 Å²	116.3	45%	0.445	56%	0.561	S	S	.	*	H	α-helix	trans	-78.6	-39.4	168.3	-76.5	168.3	0	0	0	112.2	Y126 L127 S128	Y126-L130 HydrophobicContact CD1-CD1 3.92Å; Y126-L130 HydrophobicContact CE1-CD1 3.61Å; Y126-L130 HydrophobicContact CE1-CG 4.37Å; Y126-L130 WeakPolarHBondContact O-CB 3.3Å; Y126-L130 WeakPolarHBondContact O-CG 3.5Å; Y126-L130 PolarHBondContact O-N 3.06Å; L127-L130 PolarHBondContact O-N 2.86Å; S128-L130 PolarHBondContact O-N 2.86Å
131	A	43.1	Very low	46.3	Very low	87 Å²	87	118.6 Å²	118.6	72%	0.719	58%	0.575	S	S	*	*	H	α-helix	trans	-73.9	-32.9	179.3	0	0	0	0	0	113.4	L127 S128	L127-A131 WeakPolarHBondContact O-CB 3.34Å; L127-A131 PolarHBondContact O-N 3.22Å; S128-A131 PolarHBondContact O-N 2.81Å
132	E	38.7	Very low	45.6	Very low	147 Å²	147	117.4 Å²	117.4	69%	0.687	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	12	-173.5	-66.1	-170.5	120.9	0	0	114.3	S128 P134	S128-E132 WeakPolarHBondContact O-CB 3.41Å; S128-E132 WeakPolarHBondContact O-CG 3.42Å; S128-E132 PolarHBondContact O-N 2.82Å; S128-E132 PolarHBondContact OG-OE2 2.94Å; E132-P134 WeakPolarHBondContact O-CD 3.5Å; E132-P134 VanDerWaalsContact O-N 3.07Å
133	Q	31.4	Very low	45.1	Very low	140 Å²	140	117.7 Å²	117.7	65%	0.654	57%	0.568	S	S	*	*			trans	-62.2	113.9	178.1	-66.7	-155.9	18.9	0	0	111.3	E129	E129-Q133 WeakPolarHBondContact O-CG 3.22Å
134	P	37.5	Very low	44.8	Very low	104 Å²	104	124.3 Å²	124.3	68%	0.675	59%	0.59	S	S	*	*			trans	-69.6	138	173	30.5	-33.5	0	0	0	108.6	E132 R136	E132-P134 WeakPolarHBondContact O-CD 3.5Å; E132-P134 VanDerWaalsContact O-N 3.07Å; P134-R136 VanDerWaalsContact C-N 3.32Å; P134-R136 PolarHBondContact O-N 2.85Å
135	E	36.3	Very low	44.2	Very low	155 Å²	155	123.4 Å²	123.4	72%	0.724	58%	0.584	S	S	*	*			trans	-59.1	93.2	175.5	-83.3	-146.3	114.3	0	0	110.9	K137 K143	E135-K137 PolarHBondContact O-N 2.99Å; E135-K143 IonicContact OE1-NZ 2.78Å; E135-K143 PolarHBondContact OE1-NZ 2.83Å
136	R	40.8	Very low	43.8	Very low	215 Å²	215	122.7 Å²	122.7	81%	0.811	58%	0.583	S	S	*	*			trans	-57.4	122.6	166.1	-67.6	-176.5	178	-173.1	-0.1	106.4	P134 I138	P134-R136 VanDerWaalsContact C-N 3.32Å; P134-R136 PolarHBondContact O-N 2.85Å; R136-I138 HydrophobicContact CB-CG1 4.47Å; R136-I138 WeakPolarHBondContact O-CG1 3.25Å; R136-I138 PolarHBondContact O-N 3.31Å
137	K	42.9	Very low	43.5	Very low	214 Å²	214	121.7 Å²	121.7	93%	0.93	58%	0.584	S	S	*	*			trans	-71.3	68.6	-175.2	-71	-177.9	176.9	175.8	0	111.9	E135	E135-K137 PolarHBondContact O-N 2.99Å
138	I	41.1	Very low	43.7	Very low	81 Å²	81	121.5 Å²	121.5	42%	0.415	58%	0.58	S	S	.	*			trans	-66.6	138.3	173.6	-65.6	168.8	0	0	0	108.3	R136 Q142 K143	R136-I138 HydrophobicContact CB-CG1 4.47Å; R136-I138 WeakPolarHBondContact O-CG1 3.25Å; R136-I138 PolarHBondContact O-N 3.31Å; I138-Q142 HydrophobicContact CG2-CB 3.38Å; I138-K143 HydrophobicContact CB-CB 4.47Å; I138-K143 HydrophobicContact CG2-CB 3.98Å; I138-K143 VanDerWaalsContact CG2-N 3.29Å
139	T	52.5	Low	43.3	Very low	81 Å²	81	124.7 Å²	124.7	50%	0.497	59%	0.592	S	S	.	*			trans	-63.2	146.5	178.5	66.6	0	0	0	0	110.9	N141 Q142 K143	T139-N141 PolarHBondContact O-N 2.78Å; T139-Q142 WeakPolarHBondContact O-CA 2.99Å; T139-Q142 PolarHBondContact O-N 2.75Å; T139-Q142 VanDerWaalsContact OG1-CD 3.31Å; T139-Q142 WeakPolarHBondContact OG1-CG 3.36Å; T139-Q142 PolarHBondContact OG1-OE1 3Å; T139-K143 PolarHBondContact O-N 3.2Å
140	R	44.1	Very low	42.7	Very low	237 Å²	237	124.8 Å²	124.8	89%	0.894	60%	0.596	S	S	*	*	H	α-helix	trans	-52.2	-29.5	-175.6	-169.9	176.8	-177.7	179.9	2.1	114	R144	R140-R144 WeakPolarHBondContact O-CB 2.98Å; R140-R144 PolarHBondContact O-N 2.88Å
141	N	41.1	Very low	42.7	Very low	111 Å²	111	125 Å²	125	59%	0.594	59%	0.594	S	S	*	*	H	α-helix	trans	-80.8	-32.7	177.4	-160.5	17.6	0	0	0	113	T139 K145	T139-N141 PolarHBondContact O-N 2.78Å; N141-K145 WeakPolarHBondContact O-CG 3.36Å; N141-K145 PolarHBondContact O-N 2.71Å; N141-K145 VanDerWaalsContact O-N 3.13Å
142	Q	43	Very low	42.6	Very low	114 Å²	114	126.8 Å²	126.8	53%	0.533	60%	0.596	S	S	.	*	H	α-helix	trans	-75.7	-39	174	-75.7	167.4	-42.1	0	0	112.2	I138 T139 K145 H146	I138-Q142 HydrophobicContact CG2-CB 3.38Å; T139-Q142 WeakPolarHBondContact O-CA 2.99Å; T139-Q142 PolarHBondContact O-N 2.75Å; T139-Q142 VanDerWaalsContact OG1-CD 3.31Å; T139-Q142 WeakPolarHBondContact OG1-CG 3.36Å; T139-Q142 PolarHBondContact OG1-OE1 3Å; Q142-K145 PolarHBondContact O-N 2.88Å; Q142-H146 WeakPolarHBondContact O-CB 3.47Å; Q142-H146 PolarHBondContact O-N 3.4Å
143	K	47.3	Very low	42.5	Very low	91 Å²	91	126.3 Å²	126.3	40%	0.396	59%	0.594	S	S	.	*	H	α-helix	trans	-60	-52.2	175.9	-170.1	165.9	-176	178.9	0	108.9	E135 I138 T139 K145 H146 D147	E135-K143 IonicContact OE1-NZ 2.78Å; E135-K143 PolarHBondContact OE1-NZ 2.83Å; I138-K143 HydrophobicContact CB-CB 4.47Å; I138-K143 HydrophobicContact CG2-CB 3.98Å; I138-K143 VanDerWaalsContact CG2-N 3.29Å; T139-K143 PolarHBondContact O-N 3.2Å; K143-K145 PolarHBondContact O-N 2.81Å; K143-H146 WeakPolarHBondContact O-CA 3.17Å; K143-H146 WeakPolarHBondContact O-CB 3.36Å; K143-H146 PolarHBondContact O-N 3.42Å; K143-D147 WeakPolarHBondContact CG-OD2 3.28Å; K143-D147 PolarHBondContact O-N 2.96Å; K143-D147 VanDerWaalsContact O-OD2 3.09Å
144	R	48.5	Very low	42.7	Very low	161 Å²	161	125.3 Å²	125.3	61%	0.608	59%	0.587	S	S	*	*	H	α-helix	trans	-51.1	-48.3	172.6	-167.5	179.8	-171.5	149.2	13.4	113.8	R140 H146 D147 E148	R140-R144 WeakPolarHBondContact O-CB 2.98Å; R140-R144 PolarHBondContact O-N 2.88Å; R144-H146 VanDerWaalsContact C-N 3.33Å; R144-H146 PolarHBondContact O-N 3.39Å; R144-D147 PolarHBondContact O-N 3.21Å; R144-E148 HydrophobicContact CG-CG 4.5Å; R144-E148 VanDerWaalsContact CG-OE1 3.26Å; R144-E148 WeakPolarHBondContact CG-OE1 3.44Å; R144-E148 IonicContact NE-OE1 3.75Å; R144-E148 PolarHBondContact NE-OE1 3.4Å; R144-E148 VanDerWaalsContact NE-OE1 3.11Å; R144-E148 VanDerWaalsContact O-CB 3.28Å; R144-E148 WeakPolarHBondContact O-CB 3.43Å; R144-E148 WeakPolarHBondContact O-CG 3.31Å; R144-E148 PolarHBondContact O-N 3.44Å
145	K	45.1	Very low	43	Very low	96 Å²	96	125.1 Å²	125.1	42%	0.417	58%	0.584	S	S	.	*	H	α-helix	trans	-65.1	-32.9	175.8	-81.2	-172	175.8	-174.5	0	113.6	N141 Q142 K143 I149	N141-K145 WeakPolarHBondContact O-CG 3.36Å; N141-K145 PolarHBondContact O-N 2.71Å; N141-K145 VanDerWaalsContact O-N 3.13Å; Q142-K145 PolarHBondContact O-N 2.88Å; K143-K145 PolarHBondContact O-N 2.81Å; K145-I149 VanDerWaalsContact O-CB 3.29Å; K145-I149 WeakPolarHBondContact O-CB 3.44Å; K145-I149 VanDerWaalsContact O-CD1 3.28Å; K145-I149 WeakPolarHBondContact O-CD1 3.31Å; K145-I149 WeakPolarHBondContact O-CG1 3.26Å; K145-I149 PolarHBondContact O-N 3.49Å
146	H	46.2	Very low	43.2	Very low	98 Å²	98	122.8 Å²	122.8	45%	0.454	57%	0.57	S	S	.	*	H	α-helix	trans	-68.9	-47.3	176.7	-168.6	96.7	0	0	0	110.4	Q142 K143 R144 E148 I149 N150	Q142-H146 WeakPolarHBondContact O-CB 3.47Å; Q142-H146 PolarHBondContact O-N 3.4Å; K143-H146 WeakPolarHBondContact O-CA 3.17Å; K143-H146 WeakPolarHBondContact O-CB 3.36Å; K143-H146 PolarHBondContact O-N 3.42Å; R144-H146 VanDerWaalsContact C-N 3.33Å; R144-H146 PolarHBondContact O-N 3.39Å; H146-E148 VanDerWaalsContact C-N 3.3Å; H146-E148 PolarHBondContact O-N 2.97Å; H146-I149 PolarHBondContact O-N 2.89Å; H146-I149 VanDerWaalsContact O-N 3.08Å; H146-N150 PolarHBondContact CE1-ND2 3.22Å; H146-N150 PolarHBondContact NE2-ND2 2.8Å; H146-N150 PolarHBondContact O-N 2.87Å
147	D	44.3	Very low	43.3	Very low	81 Å²	81	117.2 Å²	117.2	43%	0.433	57%	0.57	S	S	.	*	H	α-helix	trans	-65.6	-32.4	178.8	-48.9	-26.3	0	0	0	111.8	K143 R144 H151	K143-D147 WeakPolarHBondContact CG-OD2 3.28Å; K143-D147 PolarHBondContact O-N 2.96Å; K143-D147 VanDerWaalsContact O-OD2 3.09Å; R144-D147 PolarHBondContact O-N 3.21Å; D147-H151 WeakPolarHBondContact O-CA 3.36Å; D147-H151 PolarHBondContact O-N 2.68Å; D147-H151 PolarHBondContact O-ND1 2.73Å
148	E	50.3	Low	43.6	Very low	102 Å²	102	113 Å²	113	48%	0.477	55%	0.553	S	S	.	*	H	α-helix	trans	-76.4	-16.1	172.9	-75.1	170.5	-173.1	0	0	114.4	R144 H146	R144-E148 HydrophobicContact CG-CG 4.5Å; R144-E148 VanDerWaalsContact CG-OE1 3.26Å; R144-E148 WeakPolarHBondContact CG-OE1 3.44Å; R144-E148 IonicContact NE-OE1 3.75Å; R144-E148 PolarHBondContact NE-OE1 3.4Å; R144-E148 VanDerWaalsContact NE-OE1 3.11Å; R144-E148 VanDerWaalsContact O-CB 3.28Å; R144-E148 WeakPolarHBondContact O-CB 3.43Å; R144-E148 WeakPolarHBondContact O-CG 3.31Å; R144-E148 PolarHBondContact O-N 3.44Å; H146-E148 VanDerWaalsContact C-N 3.3Å; H146-E148 PolarHBondContact O-N 2.97Å
149	I	43	Very low	44.1	Very low	119 Å²	119	112 Å²	112	61%	0.61	55%	0.547	S	S	*	.	H	α-helix	trans	-106.2	-47.1	-176.8	-73	170.3	0	0	0	112	K145 H146	K145-I149 VanDerWaalsContact O-CB 3.29Å; K145-I149 WeakPolarHBondContact O-CB 3.44Å; K145-I149 VanDerWaalsContact O-CD1 3.28Å; K145-I149 WeakPolarHBondContact O-CD1 3.31Å; K145-I149 WeakPolarHBondContact O-CG1 3.26Å; K145-I149 PolarHBondContact O-N 3.49Å; H146-I149 PolarHBondContact O-N 2.89Å; H146-I149 VanDerWaalsContact O-N 3.08Å
150	N	35.1	Very low	44.7	Very low	101 Å²	101	111.6 Å²	111.6	54%	0.54	54%	0.542	S	S	.	.	H	α-helix	trans	-87.7	-15.7	-177.3	-73.1	-11.5	0	0	0	113.1	H146 V152	H146-N150 PolarHBondContact CE1-ND2 3.22Å; H146-N150 PolarHBondContact NE2-ND2 2.8Å; H146-N150 PolarHBondContact O-N 2.87Å; N150-V152 PolarHBondContact O-N 3.12Å
151	H	44.8	Very low	45.4	Very low	89 Å²	89	105.7 Å²	105.7	41%	0.412	54%	0.535	S	S	.	.			trans	19.4	72.1	170.7	-139.6	66.2	0	0	0	114.8	D147 Q153	D147-H151 WeakPolarHBondContact O-CA 3.36Å; D147-H151 PolarHBondContact O-N 2.68Å; D147-H151 PolarHBondContact O-ND1 2.73Å; H151-Q153 PolarHBondContact O-N 3Å
152	V	40.5	Very low	46.4	Very low	125 Å²	125	105.2 Å²	105.2	76%	0.758	54%	0.536	S	S	*	.			trans	-43.5	135.9	162.9	179.7	0	0	0	0	107.5	N150 K154	N150-V152 PolarHBondContact O-N 3.12Å; V152-K154 PolarHBondContact O-N 2.87Å
153	Q	36	Very low	47.1	Very low	137 Å²	137	102.3 Å²	102.3	64%	0.64	53%	0.526	S	S	*	.			trans	-45.4	131.5	178.3	-70	169.8	-78.9	0	0	108.9	H151 T155	H151-Q153 PolarHBondContact O-N 3Å; Q153-T155 PolarHBondContact O-N 3.38Å
154	K	37.4	Very low	47.6	Very low	119 Å²	119	98.7 Å²	98.7	52%	0.517	51%	0.513	S	S	.	.			trans	-48.9	116.8	172	-80.6	-173.5	165.5	-135.5	0	107.1	V152 Y156 E158	V152-K154 PolarHBondContact O-N 2.87Å; K154-Y156 PolarHBondContact O-N 3.14Å; K154-E158 WeakPolarHBondContact CD-OE2 3.27Å; K154-E158 WeakPolarHBondContact CE-OE2 3.1Å; K154-E158 IonicContact NZ-OE2 2.59Å; K154-E158 PolarHBondContact NZ-OE2 3.24Å
155	T	42	Very low	48.1	Very low	100 Å²	100	93.7 Å²	93.7	61%	0.613	51%	0.507	S	S	*	.			trans	-59.6	141.1	177	29.4	0	0	0	0	108.2	Q153 A157 E158	Q153-T155 PolarHBondContact O-N 3.38Å; T155-A157 PolarHBondContact O-N 3.33Å; T155-E158 PolarHBondContact O-N 3.08Å
156	Y	41.6	Very low	48.8	Very low	107 Å²	107	94.5 Å²	94.5	42%	0.42	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-50.5	-17.6	-175	-56.6	-82.3	0	0	0	114.4	K154 E158 M159 E171	K154-Y156 PolarHBondContact O-N 3.14Å; Y156-E158 PolarHBondContact O-N 2.78Å; Y156-M159 PolarHBondContact O-N 3.35Å; Y156-E171 VanDerWaalsContact OH-CD 3.32Å; Y156-E171 PolarHBondContact OH-OE1 2.85Å
157	A	43.4	Very low	49.4	Very low	98 Å²	98	92 Å²	92	81%	0.81	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-61.2	-16.1	171.6	0	0	0	0	0	115.9	T155	T155-A157 PolarHBondContact O-N 3.33Å
158	E	48.8	Very low	50.2	Low	125 Å²	125	95 Å²	95	58%	0.584	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-90.9	0.3	173.8	-72.9	-161.8	-176.5	0	0	114.3	K154 T155 Y156	K154-E158 WeakPolarHBondContact CD-OE2 3.27Å; K154-E158 WeakPolarHBondContact CE-OE2 3.1Å; K154-E158 IonicContact NZ-OE2 2.59Å; K154-E158 PolarHBondContact NZ-OE2 3.24Å; T155-E158 PolarHBondContact O-N 3.08Å; Y156-E158 PolarHBondContact O-N 2.78Å
159	M	51.4	Low	50.6	Low	59 Å²	59	95.8 Å²	95.8	29%	0.291	52%	0.516	S	S	.	.	S	Bend	trans	-116.7	154.4	-173.8	-58.9	177.3	77	0	0	109.8	Y156 T163 A164 E167	Y156-M159 PolarHBondContact O-N 3.35Å; M159-T163 HydrophobicContact CE-CG2 4.1Å; M159-A164 HydrophobicContact CB-CB 4.36Å; M159-E167 VanDerWaalsContact CE-CD 3.48Å; M159-E167 WeakPolarHBondContact CE-OE1 3.34Å; M159-E167 WeakPolarHBondContact CE-OE2 3.27Å
160	D	64.2	Low	51.4	Low	73 Å²	73	92.6 Å²	92.6	39%	0.39	50%	0.498	S	S	.	.			trans	-66.5	150.5	179.7	75	86.1	0	0	0	110.8	T162 T163 A164	D160-T162 PolarHBondContact O-N 3.48Å; D160-T162 VanDerWaalsContact O-N 3.11Å; D160-T162 WeakPolarHBondContact OD1-CA 3.17Å; D160-T162 WeakPolarHBondContact OD1-CB 3.41Å; D160-T162 PolarHBondContact OD1-N 2.98Å; D160-T162 PolarHBondContact OD1-OG1 2.56Å; D160-T163 PolarHBondContact O-N 2.76Å; D160-T163 PolarHBondContact OD1-N 2.79Å; D160-T163 PolarHBondContact OD1-OG1 3.14Å; D160-T163 WeakPolarHBondContact OD2-CB 3.21Å; D160-T163 PolarHBondContact OD2-OG1 2.93Å; D160-A164 VanDerWaalsContact O-CB 3.31Å; D160-A164 WeakPolarHBondContact O-CB 3.38Å; D160-A164 PolarHBondContact O-N 2.86Å
161	P	59.4	Low	52.6	Low	114 Å²	114	89.5 Å²	89.5	74%	0.74	48%	0.481	S	S	*	.	H	α-helix	trans	-60.4	-27.2	-172.8	-26	35.6	0	0	0	114.5	A165	P161-A165 VanDerWaalsContact O-CB 3.22Å; P161-A165 WeakPolarHBondContact O-CB 3.45Å; P161-A165 PolarHBondContact O-N 2.91Å; P161-A165 VanDerWaalsContact O-N 3.08Å
162	T	62.5	Low	53.3	Low	101 Å²	101	88.4 Å²	88.4	62%	0.62	49%	0.487	S	S	*	.	H	α-helix	trans	-76	-49	178.4	15	0	0	0	0	111.6	D160 A165 L166	D160-T162 PolarHBondContact O-N 3.48Å; D160-T162 VanDerWaalsContact O-N 3.11Å; D160-T162 WeakPolarHBondContact OD1-CA 3.17Å; D160-T162 WeakPolarHBondContact OD1-CB 3.41Å; D160-T162 PolarHBondContact OD1-N 2.98Å; D160-T162 PolarHBondContact OD1-OG1 2.56Å; T162-A165 PolarHBondContact O-N 3.43Å; T162-L166 WeakPolarHBondContact O-CB 3.48Å; T162-L166 WeakPolarHBondContact O-CG 3.29Å; T162-L166 PolarHBondContact O-N 3.19Å
163	T	57.6	Low	54.2	Low	53 Å²	53	87.6 Å²	87.6	33%	0.325	48%	0.478	S	S	.	.	H	α-helix	trans	-62.6	-44.8	173.7	-57.7	0	0	0	0	110.8	M159 D160 A165 L166 E167	M159-T163 HydrophobicContact CE-CG2 4.1Å; D160-T163 PolarHBondContact O-N 2.76Å; D160-T163 PolarHBondContact OD1-N 2.79Å; D160-T163 PolarHBondContact OD1-OG1 3.14Å; D160-T163 WeakPolarHBondContact OD2-CB 3.21Å; D160-T163 PolarHBondContact OD2-OG1 2.93Å; T163-A165 VanDerWaalsContact C-N 3.3Å; T163-A165 PolarHBondContact O-N 2.88Å; T163-L166 PolarHBondContact O-N 2.9Å; T163-E167 HydrophobicContact CG2-CG 4.22Å; T163-E167 WeakPolarHBondContact O-CB 3.12Å; T163-E167 WeakPolarHBondContact O-CG 3.27Å; T163-E167 PolarHBondContact O-N 3.03Å
164	A	57.5	Low	55.5	Low	14 Å²	14	82 Å²	82	12%	0.116	45%	0.453	C	S	.	.	H	α-helix	trans	-62.6	-33.5	177.9	0	0	0	0	0	113.2	M159 D160 K168	M159-A164 HydrophobicContact CB-CB 4.36Å; D160-A164 VanDerWaalsContact O-CB 3.31Å; D160-A164 WeakPolarHBondContact O-CB 3.38Å; D160-A164 PolarHBondContact O-N 2.86Å; A164-K168 VanDerWaalsContact O-CB 3.23Å; A164-K168 WeakPolarHBondContact O-CB 3.46Å; A164-K168 PolarHBondContact O-N 3.41Å; A164-K168 VanDerWaalsContact O-N 3.1Å
165	A	59.6	Low	56.9	Low	57 Å²	57	80.3 Å²	80.3	47%	0.471	45%	0.445	S	S	.	.	H	α-helix	trans	-70.8	-47.1	173.2	0	0	0	0	0	111.9	P161 T162 T163 E167 K168 E169	P161-A165 VanDerWaalsContact O-CB 3.22Å; P161-A165 WeakPolarHBondContact O-CB 3.45Å; P161-A165 PolarHBondContact O-N 2.91Å; P161-A165 VanDerWaalsContact O-N 3.08Å; T162-A165 PolarHBondContact O-N 3.43Å; T163-A165 VanDerWaalsContact C-N 3.3Å; T163-A165 PolarHBondContact O-N 2.88Å; A165-E167 PolarHBondContact O-N 2.85Å; A165-K168 PolarHBondContact O-N 3Å; A165-E169 WeakPolarHBondContact O-CB 3.46Å; A165-E169 PolarHBondContact O-N 2.89Å
166	L	58.3	Low	58	Low	113 Å²	113	75.9 Å²	75.9	59%	0.592	42%	0.418	S	S	*	.	H	α-helix	trans	-62.6	-39.9	177.7	-72.7	169.3	0	0	0	112.1	T162 T163 H170	T162-L166 WeakPolarHBondContact O-CB 3.48Å; T162-L166 WeakPolarHBondContact O-CG 3.29Å; T162-L166 PolarHBondContact O-N 3.19Å; T163-L166 PolarHBondContact O-N 2.9Å; L166-H170 VanDerWaalsContact O-CB 3.22Å; L166-H170 WeakPolarHBondContact O-CB 3.42Å; L166-H170 PolarHBondContact O-N 3.42Å
167	E	59.7	Low	59.6	Low	46 Å²	46	71.4 Å²	71.4	22%	0.215	40%	0.401	C	S	.	.	H	α-helix	trans	-68	-39	174.6	-75.2	-171.3	157.7	0	0	112.1	M159 T163 A165 H170 E171	M159-E167 VanDerWaalsContact CE-CD 3.48Å; M159-E167 WeakPolarHBondContact CE-OE1 3.34Å; M159-E167 WeakPolarHBondContact CE-OE2 3.27Å; T163-E167 HydrophobicContact CG2-CG 4.22Å; T163-E167 WeakPolarHBondContact O-CB 3.12Å; T163-E167 WeakPolarHBondContact O-CG 3.27Å; T163-E167 PolarHBondContact O-N 3.03Å; A165-E167 PolarHBondContact O-N 2.85Å; E167-H170 PolarHBondContact O-N 2.83Å; E167-E171 WeakPolarHBondContact O-CB 3.37Å; E167-E171 WeakPolarHBondContact O-CG 3.38Å; E167-E171 PolarHBondContact O-N 3.15Å
168	K	61.8	Low	60.9	Low	144 Å²	144	70.1 Å²	70.1	63%	0.626	38%	0.375	S	S	*	.	H	α-helix	trans	-67.2	-36.9	175.9	-173.4	177.3	-178.8	-178.8	0	112.5	A164 A165 A172	A164-K168 VanDerWaalsContact O-CB 3.23Å; A164-K168 WeakPolarHBondContact O-CB 3.46Å; A164-K168 PolarHBondContact O-N 3.41Å; A164-K168 VanDerWaalsContact O-N 3.1Å; A165-K168 PolarHBondContact O-N 3Å; K168-A172 WeakPolarHBondContact O-CB 3.3Å; K168-A172 PolarHBondContact O-N 2.9Å
169	E	57.8	Low	62.5	Low	117 Å²	117	64.3 Å²	64.3	55%	0.547	35%	0.349	S	S	.	.	H	α-helix	trans	-68.1	-45.2	171.6	-177.4	173.9	-159.4	0	0	111.1	A165 E171 A172 I173	A165-E169 WeakPolarHBondContact O-CB 3.46Å; A165-E169 PolarHBondContact O-N 2.89Å; E169-E171 PolarHBondContact O-N 3.29Å; E169-A172 WeakPolarHBondContact O-CB 3.5Å; E169-A172 PolarHBondContact O-N 2.66Å; E169-I173 HydrophobicContact CG-CD1 3.94Å; E169-I173 WeakPolarHBondContact O-CG1 3.42Å; E169-I173 PolarHBondContact O-N 2.88Å
170	H	59.7	Low	64	Low	52 Å²	52	62.7 Å²	62.7	24%	0.241	34%	0.341	C	S	.	.	H	α-helix	trans	-59.4	-47.2	175	-165.4	80.6	0	0	0	111.1	L166 E167 A172 I173 T174	L166-H170 VanDerWaalsContact O-CB 3.22Å; L166-H170 WeakPolarHBondContact O-CB 3.42Å; L166-H170 PolarHBondContact O-N 3.42Å; E167-H170 PolarHBondContact O-N 2.83Å; H170-A172 VanDerWaalsContact C-N 3.33Å; H170-A172 PolarHBondContact O-N 2.83Å; H170-I173 PolarHBondContact O-N 2.86Å; H170-T174 VanDerWaalsContact O-CB 3.26Å; H170-T174 WeakPolarHBondContact O-CB 3.37Å; H170-T174 VanDerWaalsContact O-CG2 3.23Å; H170-T174 WeakPolarHBondContact O-CG2 3.31Å; H170-T174 PolarHBondContact O-N 3.06Å; H170-T174 PolarHBondContact O-OG1 3.3Å
171	E	61.3	Low	65.3	Low	36 Å²	36	62 Å²	62	17%	0.168	34%	0.335	C	S	.	.	H	α-helix	trans	-57.3	-44	173.8	-84.1	-164.2	-118.7	0	0	111.9	R98 Y156 E167 E169 I173 T174 K175	R98-E171 IonicContact CZ-OE2 3.81Å; R98-E171 IonicContact NH1-OE2 2.86Å; R98-E171 PolarHBondContact NH1-OE2 3.43Å; R98-E171 IonicContact NH2-OE2 3.95Å; R98-E171 PolarHBondContact NH2-OE2 3.24Å; Y156-E171 VanDerWaalsContact OH-CD 3.32Å; Y156-E171 PolarHBondContact OH-OE1 2.85Å; E167-E171 WeakPolarHBondContact O-CB 3.37Å; E167-E171 WeakPolarHBondContact O-CG 3.38Å; E167-E171 PolarHBondContact O-N 3.15Å; E169-E171 PolarHBondContact O-N 3.29Å; E171-I173 VanDerWaalsContact C-N 3.34Å; E171-I173 PolarHBondContact O-N 2.92Å; E171-T174 PolarHBondContact O-N 2.95Å; E171-K175 WeakPolarHBondContact O-CG 3.44Å; E171-K175 PolarHBondContact O-N 3.17Å
172	A	59.5	Low	67.1	Low	66 Å²	66	56.6 Å²	56.6	55%	0.545	30%	0.3	S	S	.	.	H	α-helix	trans	-61.2	-41.5	178.2	0	0	0	0	0	112.4	K168 E169 H170	K168-A172 WeakPolarHBondContact O-CB 3.3Å; K168-A172 PolarHBondContact O-N 2.9Å; E169-A172 WeakPolarHBondContact O-CB 3.5Å; E169-A172 PolarHBondContact O-N 2.66Å; H170-A172 VanDerWaalsContact C-N 3.33Å; H170-A172 PolarHBondContact O-N 2.83Å
173	I	59.2	Low	68.8	Low	109 Å²	109	53.4 Å²	53.4	56%	0.559	28%	0.278	S	S	*	.	H	α-helix	trans	-73.1	-33.5	177.4	-65.8	166.8	0	0	0	111.7	E169 H170 E171	E169-I173 HydrophobicContact CG-CD1 3.94Å; E169-I173 WeakPolarHBondContact O-CG1 3.42Å; E169-I173 PolarHBondContact O-N 2.88Å; H170-I173 PolarHBondContact O-N 2.86Å; E171-I173 VanDerWaalsContact C-N 3.34Å; E171-I173 PolarHBondContact O-N 2.92Å
174	T	62.4	Low	70.7	Confident	19 Å²	19	51.3 Å²	51.3	12%	0.117	26%	0.264	C	S	.	.	H	α-helix	trans	-98.8	0.9	-172.7	62.1	0	0	0	0	115	H170 E171 V176 F194	H170-T174 VanDerWaalsContact O-CB 3.26Å; H170-T174 WeakPolarHBondContact O-CB 3.37Å; H170-T174 VanDerWaalsContact O-CG2 3.23Å; H170-T174 WeakPolarHBondContact O-CG2 3.31Å; H170-T174 PolarHBondContact O-N 3.06Å; H170-T174 PolarHBondContact O-OG1 3.3Å; E171-T174 PolarHBondContact O-N 2.95Å; T174-V176 PolarHBondContact O-N 3.26Å; T174-V176 VanDerWaalsContact O-N 3.07Å; T174-F194 HydrophobicContact CG2-CB 4.42Å; T174-F194 HydrophobicContact CG2-CD1 3.27Å; T174-F194 HydrophobicContact CG2-CE1 3.67Å; T174-F194 HydrophobicContact CG2-CG 3.99Å; T174-F194 WeakPolarHBondContact O-CB 3.39Å
175	K	67.4	Low	72.5	Confident	84 Å²	84	50.9 Å²	50.9	37%	0.365	26%	0.262	S	S	.	.	S	Bend	trans	-47	-39.5	177.4	-77.5	-156	177.3	-170.7	0	113.4	I76 Y90 E171	I76-K175 HydrophobicContact CG2-CB 4.39Å; I76-K175 HydrophobicContact CG2-CD 4.17Å; Y90-K175 WeakPolarHBondContact CE1-O 3.3Å; Y90-K175 PolarHBondContact OH-O 2.77Å; E171-K175 WeakPolarHBondContact O-CG 3.44Å; E171-K175 PolarHBondContact O-N 3.17Å
176	V	65.3	Low	74.1	Confident	7 Å²	7	55.4 Å²	55.4	4%	0.042	28%	0.278	C	S	.	.	S	Bend	trans	-112.5	114.1	-170	178.1	0	0	0	0	110.6	I76 Q77 Y90 W103 T174 Y178	I76-V176 HydrophobicContact CG2-CG2 3.63Å; Q77-V176 HydrophobicContact CB-CG2 4.03Å; Y90-V176 HydrophobicContact CD1-CB 4.32Å; Y90-V176 HydrophobicContact CD1-CG1 4.25Å; Y90-V176 HydrophobicContact CD1-CG2 3.81Å; Y90-V176 HydrophobicContact CD2-CG1 3.98Å; Y90-V176 HydrophobicContact CE1-CB 4.46Å; Y90-V176 HydrophobicContact CE1-CG2 4.21Å; Y90-V176 HydrophobicContact CE2-CG1 4.38Å; Y90-V176 HydrophobicContact CG-CB 4.43Å; Y90-V176 HydrophobicContact CG-CG1 3.86Å; Y90-V176 HydrophobicContact CG-CG2 4.19Å; W103-V176 HydrophobicContact CH2-CG1 4Å; W103-V176 HydrophobicContact CZ2-CG1 3.32Å; T174-V176 PolarHBondContact O-N 3.26Å; T174-V176 VanDerWaalsContact O-N 3.07Å; V176-Y178 HydrophobicContact CG1-CE2 4.38Å; V176-Y178 WeakPolarHBondContact O-CD2 3.44Å; V176-Y178 PolarHBondContact O-N 3.32Å
177	K	74.3	Confident	76	Confident	12 Å²	12	54 Å²	54	5%	0.052	27%	0.265	C	S	.	.			trans	-74.7	113	173	-179.6	-166.4	65	158.6	0	109.6	Y90 W103 V179 D180 A191	Y90-K177 HydrophobicContact CE2-CB 3.94Å; Y90-K177 PolarHBondContact OH-N 3.49Å; W103-K177 PolarHBondContact NE1-O 3.37Å; K177-V179 WeakPolarHBondContact CD-O 3.29Å; K177-V179 VanDerWaalsContact CG-O 3.28Å; K177-V179 WeakPolarHBondContact CG-O 3.22Å; K177-D180 WeakPolarHBondContact CE-OD1 3.4Å; K177-D180 PolarHBondContact NZ-O 2.99Å; K177-D180 VanDerWaalsContact NZ-O 3.15Å; K177-D180 IonicContact NZ-OD1 2.85Å; K177-D180 PolarHBondContact NZ-OD1 2.82Å; K177-A191 HydrophobicContact CD-CB 3.9Å; K177-A191 VanDerWaalsContact CD-O 3.29Å; K177-A191 WeakPolarHBondContact CD-O 3.41Å; K177-A191 PolarHBondContact NZ-O 3.22Å
178	Y	71.9	Confident	77.8	Confident	71 Å²	71	56.6 Å²	56.6	28%	0.278	28%	0.277	S	S	.	.			trans	-85.7	-36.7	175	-69.3	-86.2	0	0	0	113.5	Q77 R79 V176 D180 F194 G202	Q77-Y178 PolarHBondContact NE2-OH 2.88Å; Q77-Y178 VanDerWaalsContact NE2-OH 3.08Å; Q77-Y178 PolarHBondContact OE1-OH 2.71Å; R79-Y178 PolarHBondContact NH1-O 2.81Å; V176-Y178 HydrophobicContact CG1-CE2 4.38Å; V176-Y178 WeakPolarHBondContact O-CD2 3.44Å; V176-Y178 PolarHBondContact O-N 3.32Å; Y178-D180 PolarHBondContact O-N 3.47Å; Y178-F194 HydrophobicContact CD2-CD2 4.42Å; Y178-F194 HydrophobicContact CD2-CE2 4.38Å; Y178-G202 CarbonylContact C-O 3.6Å; Y178-G202 WeakPolarHBondContact CB-O 3.39Å
179	V	82.2	Confident	79.4	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.024	25%	0.25	C	S	.	.			trans	-83.6	99.6	174	-178.4	0	0	0	0	109.2	K177 I182 F197 G202 Q204 L207 L269	K177-V179 WeakPolarHBondContact CD-O 3.29Å; K177-V179 VanDerWaalsContact CG-O 3.28Å; K177-V179 WeakPolarHBondContact CG-O 3.22Å; V179-I182 HydrophobicContact CG1-CG2 4.33Å; V179-F197 HydrophobicContact CG2-CD2 4.21Å; V179-G202 VanDerWaalsContact CG2-O 3.25Å; V179-G202 WeakPolarHBondContact CG2-O 3.45Å; V179-G202 PolarHBondContact N-O 3.28Å; V179-Q204 WeakPolarHBondContact CA-O 3.34Å; V179-L207 HydrophobicContact CG1-CB 4.31Å; V179-L207 HydrophobicContact CG1-CD1 3.93Å; V179-L207 HydrophobicContact CG1-CG 3.89Å; V179-L207 HydrophobicContact CG2-CD1 3.83Å; V179-L207 HydrophobicContact CG2-CG 4.23Å; V179-L269 HydrophobicContact CB-CD2 4.39Å; V179-L269 HydrophobicContact CG1-CD2 4.48Å
180	D	82.8	Confident	81	Confident	25 Å²	25	49.4 Å²	49.4	13%	0.134	25%	0.249	C	C	.	.			trans	-73.6	-41.2	-174.9	-77	-59.9	0	0	0	113.8	R79 W103 K177 Y178 A191 P205	R79-D180 IonicContact CZ-OD2 2.96Å; R79-D180 IonicContact NH1-OD2 2.63Å; R79-D180 PolarHBondContact NH1-OD2 2.85Å; R79-D180 IonicContact NH2-OD2 2.7Å; R79-D180 PolarHBondContact NH2-OD2 2.9Å; W103-D180 VanDerWaalsContact CD1-OD1 3.3Å; W103-D180 VanDerWaalsContact CD1-OD2 3.27Å; K177-D180 WeakPolarHBondContact CE-OD1 3.4Å; K177-D180 PolarHBondContact NZ-O 2.99Å; K177-D180 VanDerWaalsContact NZ-O 3.15Å; K177-D180 IonicContact NZ-OD1 2.85Å; K177-D180 PolarHBondContact NZ-OD1 2.82Å; Y178-D180 PolarHBondContact O-N 3.47Å; D180-A191 PolarHBondContact O-N 2.86Å; D180-P205 WeakPolarHBondContact CB-O 3.43Å; D180-P205 PolarHBondContact N-O 3.47Å
181	K	91.6	Very high	82.6	Confident	59 Å²	59	47.2 Å²	47.2	26%	0.257	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	151.2	-171.2	174.2	176.2	-79.7	-168.8	0	111.8	E188 I189 D190 P205 K206 L207	K181-E188 HydrophobicContact CD-CB 4.08Å; K181-E188 HydrophobicContact CD-CG 4.34Å; K181-E188 WeakPolarHBondContact CD-OE2 3.23Å; K181-E188 WeakPolarHBondContact CE-OE2 3.37Å; K181-E188 HydrophobicContact CG-CB 4.48Å; K181-E188 IonicContact NZ-OE2 2.8Å; K181-E188 PolarHBondContact NZ-OE2 3.29Å; K181-I189 WeakPolarHBondContact CA-O 3.45Å; K181-D190 WeakPolarHBondContact CE-OD1 3.37Å; K181-D190 IonicContact NZ-OD1 3.86Å; K181-P205 PolarHBondContact N-O 3.11Å; K181-K206 HydrophobicContact CG-CG 4.49Å; K181-K206 VanDerWaalsContact O-CA 3.3Å; K181-K206 WeakPolarHBondContact O-CA 3.49Å; K181-L207 PolarHBondContact O-N 3.18Å
182	I	96.6	Very high	83.9	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	152.2	166.9	62.9	171.7	0	0	0	111.7	V179 I184 E188 I189 L207 L209 L266 L269 F270	V179-I182 HydrophobicContact CG1-CG2 4.33Å; I182-I184 HydrophobicContact CD1-CG2 4.35Å; I182-E188 CarbonylContact O-C 3.58Å; I182-E188 WeakPolarHBondContact O-CA 3.03Å; I182-I189 HydrophobicContact CD1-CB 4.43Å; I182-I189 HydrophobicContact CD1-CD1 4.39Å; I182-I189 HydrophobicContact CG1-CB 3.89Å; I182-I189 PolarHBondContact N-O 3.16Å; I182-I189 PolarHBondContact O-N 2.9Å; I182-L207 CarbonylContact C-O 3.56Å; I182-L207 VanDerWaalsContact CA-O 3.32Å; I182-L207 WeakPolarHBondContact CA-O 3.41Å; I182-L207 HydrophobicContact CG2-CB 4.37Å; I182-L209 HydrophobicContact CB-CD1 4.27Å; I182-L209 HydrophobicContact CG2-CD1 4.12Å; I182-L266 HydrophobicContact CD1-CD1 3.39Å; I182-L269 HydrophobicContact CD1-CD1 4.3Å; I182-L269 HydrophobicContact CG2-CD1 3.54Å; I182-F270 HydrophobicContact CD1-CE2 4.04Å; I182-F270 HydrophobicContact CD1-CZ 3.91Å; I182-F270 HydrophobicContact CG1-CZ 4.48Å
183	H	97.8	Very high	85.3	Confident	34 Å²	34	46.7 Å²	46.7	16%	0.157	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121.9	165.9	-178.7	-70.4	0	0	0	109.4	G185 Y187 L207 W208 L209 Y223	H183-G185 PolarHBondContact CE1-O 3.45Å; H183-Y187 CarbonylContact C-O 3.45Å; H183-Y187 WeakPolarHBondContact CA-O 3.36Å; H183-L207 PolarHBondContact N-O 2.85Å; H183-W208 HydrophobicContact CB-CD2 4.15Å; H183-W208 HydrophobicContact CB-CE3 3.63Å; H183-W208 HydrophobicContact CB-CZ3 4.03Å; H183-W208 AromaticContact CD2-CZ3 3.59Å; H183-W208 AromaticContact CG-CE3 3.51Å; H183-W208 AromaticContact CG-CZ3 3.61Å; H183-W208 AromaticContact ND1-CE3 3.73Å; H183-W208 AromaticContact ND1-CZ3 3.99Å; H183-W208 AromaticContact NE2-CZ3 3.95Å; H183-L209 PolarHBondContact O-N 2.99Å; H183-Y223 AromaticContact CE1-CE1 3.66Å; H183-Y223 AromaticContact CE1-CZ 4Å; H183-Y223 AromaticContact ND1-CE1 3.66Å; H183-Y223 AromaticContact ND1-CZ 3.77Å
184	I	98.1	Very high	86.6	Confident	8 Å²	8	43.2 Å²	43.2	4%	0.041	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	124	-179.4	-173.8	169.9	0	0	0	110.5	I182 N186 Y187 I189 L209 E211 L214 L266 I298	I182-I184 HydrophobicContact CD1-CG2 4.35Å; I184-N186 PolarHBondContact O-N 2.96Å; I184-N186 VanDerWaalsContact O-N 3.16Å; I184-Y187 PolarHBondContact N-O 3.17Å; I184-Y187 PolarHBondContact O-N 3.45Å; I184-I189 HydrophobicContact CG2-CD1 3.65Å; I184-I189 HydrophobicContact CG2-CG1 4.44Å; I184-L209 HydrophobicContact CB-CB 4.3Å; I184-L209 HydrophobicContact CD1-CB 4.37Å; I184-L209 HydrophobicContact CG1-CB 4.33Å; I184-E211 HydrophobicContact CG1-CB 3.96Å; I184-L214 HydrophobicContact CD1-CD2 4.26Å; I184-L266 HydrophobicContact CD1-CD2 4.04Å; I184-I298 HydrophobicContact CD1-CG2 4.11Å
185	G	95.1	Very high	87.8	Confident	6 Å²	6	42.5 Å²	42.5	6%	0.062	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	-117.6	-172.7	0	0	0	0	0	110.6	H183 E211	H183-G185 PolarHBondContact CE1-O 3.45Å; G185-E211 WeakPolarHBondContact CA-OE2 3.31Å
186	N	94.8	Very high	88.8	Confident	151 Å²	151	39.5 Å²	39.5	81%	0.807	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.6	13.2	175.4	-63.5	-47.1	0	0	0	113.8	I184	I184-N186 PolarHBondContact O-N 2.96Å; I184-N186 VanDerWaalsContact O-N 3.16Å
187	Y	97.2	Very high	89.9	Confident	85 Å²	85	39.6 Å²	39.6	33%	0.333	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.9	-176	-65.5	-67.3	0	0	0	112.7	H183 I184 P322 Y323	H183-Y187 CarbonylContact C-O 3.45Å; H183-Y187 WeakPolarHBondContact CA-O 3.36Å; I184-Y187 PolarHBondContact N-O 3.17Å; I184-Y187 PolarHBondContact O-N 3.45Å; Y187-P322 HydrophobicContact CD1-CB 3.93Å; Y187-P322 HydrophobicContact CD1-CG 3.88Å; Y187-P322 HydrophobicContact CD2-CB 4.27Å; Y187-P322 HydrophobicContact CD2-CG 4.14Å; Y187-P322 HydrophobicContact CE1-CB 3.88Å; Y187-P322 HydrophobicContact CE1-CG 4.35Å; Y187-P322 HydrophobicContact CE2-CB 4.21Å; Y187-P322 HydrophobicContact CG-CB 4.14Å; Y187-P322 HydrophobicContact CG-CG 3.78Å; Y187-Y323 HydrophobicContact CE2-CE2 4.23Å; Y187-Y323 AromaticContact CE2-CZ 3.94Å
188	E	96.9	Very high	90.5	Very high	100 Å²	100	41.7 Å²	41.7	47%	0.467	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	138.5	150.7	-64.4	-160.5	157.5	0	0	109.5	K181 I182 K206	K181-E188 HydrophobicContact CD-CB 4.08Å; K181-E188 HydrophobicContact CD-CG 4.34Å; K181-E188 WeakPolarHBondContact CD-OE2 3.23Å; K181-E188 WeakPolarHBondContact CE-OE2 3.37Å; K181-E188 HydrophobicContact CG-CB 4.48Å; K181-E188 IonicContact NZ-OE2 2.8Å; K181-E188 PolarHBondContact NZ-OE2 3.29Å; I182-E188 CarbonylContact O-C 3.58Å; I182-E188 WeakPolarHBondContact O-CA 3.03Å; E188-K206 WeakPolarHBondContact OE1-CE 3.17Å; E188-K206 IonicContact OE1-NZ 2.73Å; E188-K206 PolarHBondContact OE1-NZ 3.43Å
189	I	95.7	Very high	90.5	Very high	11 Å²	11	44.6 Å²	44.6	6%	0.056	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	122.5	-178.7	-47.6	173.7	0	0	0	108.5	K181 I182 I184 F270 P321 P322	K181-I189 WeakPolarHBondContact CA-O 3.45Å; I182-I189 HydrophobicContact CD1-CB 4.43Å; I182-I189 HydrophobicContact CD1-CD1 4.39Å; I182-I189 HydrophobicContact CG1-CB 3.89Å; I182-I189 PolarHBondContact N-O 3.16Å; I182-I189 PolarHBondContact O-N 2.9Å; I184-I189 HydrophobicContact CG2-CD1 3.65Å; I184-I189 HydrophobicContact CG2-CG1 4.44Å; I189-F270 HydrophobicContact CB-CZ 4.39Å; I189-F270 HydrophobicContact CG2-CE1 3.74Å; I189-F270 HydrophobicContact CG2-CZ 3.65Å; I189-P321 HydrophobicContact CG2-CB 3.92Å; I189-P321 HydrophobicContact CG2-CG 3.71Å; I189-P322 HydrophobicContact CD1-CG 3.75Å; I189-P322 HydrophobicContact CG1-CG 3.91Å
190	D	92.6	Very high	90.3	Very high	99 Å²	99	48.9 Å²	48.9	53%	0.529	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	130.1	174.2	-50	-56.9	0	0	0	109.8	K181	K181-D190 WeakPolarHBondContact CE-OD1 3.37Å; K181-D190 IonicContact NZ-OD1 3.86Å
191	A	91.8	Very high	90.2	Very high	5 Å²	5	50.6 Å²	50.6	4%	0.041	25%	0.247	C	C	.	.			trans	-78.8	145.6	-179.2	0	0	0	0	0	111.6	K177 D180 L269	K177-A191 HydrophobicContact CD-CB 3.9Å; K177-A191 VanDerWaalsContact CD-O 3.29Å; K177-A191 WeakPolarHBondContact CD-O 3.41Å; K177-A191 PolarHBondContact NZ-O 3.22Å; D180-A191 PolarHBondContact O-N 2.86Å; A191-L269 HydrophobicContact CB-CB 3.93Å; A191-L269 HydrophobicContact CB-CD1 4.43Å; A191-L269 HydrophobicContact CB-CD2 3.71Å; A191-L269 HydrophobicContact CB-CG 4.23Å
192	W	89.6	Confident	89.2	Confident	63 Å²	63	48.3 Å²	48.3	24%	0.239	24%	0.24	C	C	.	.			trans	-97	-31.6	-173.9	-61.9	-6.4	0	0	0	112.7	R99 L269 F270 P321	R99-W192 WeakPolarHBondContact CA-O 3.3Å; R99-W192 HydrophobicContact CB-CB 3.94Å; R99-W192 HydrophobicContact CB-CG 4.3Å; W192-L269 WeakPolarHBondContact CA-O 3.25Å; W192-L269 WeakPolarHBondContact CB-O 3.41Å; W192-L269 PolarHBondContact N-O 3.19Å; W192-F270 AromaticContact CD2-CD1 3.97Å; W192-F270 HydrophobicContact CD2-CD1 3.97Å; W192-F270 HydrophobicContact CE3-CB 4.26Å; W192-F270 HydrophobicContact CE3-CD1 4.38Å; W192-F270 HydrophobicContact CG-CD1 4.03Å; W192-P321 HydrophobicContact CZ2-CB 4.24Å; W192-P321 HydrophobicContact CZ2-CG 3.96Å
193	Y	87.7	Confident	88.1	Confident	29 Å²	29	54 Å²	54	11%	0.114	27%	0.265	C	S	.	.	S	Bend	trans	-136.2	158.4	-175.5	-54.5	-77.4	0	0	0	110.7	N97 R99 L269 D272	N97-Y193 PolarHBondContact OD1-OH 3.49Å; R99-Y193 HydrophobicContact CB-CE1 4.25Å; Y193-L269 PolarHBondContact N-O 3.12Å; Y193-D272 HydrophobicContact CD1-CB 3.95Å; Y193-D272 VanDerWaalsContact CD1-CG 3.48Å; Y193-D272 WeakPolarHBondContact CD1-OD1 3.17Å; Y193-D272 HydrophobicContact CD2-CB 4.47Å; Y193-D272 HydrophobicContact CE1-CB 3.64Å; Y193-D272 WeakPolarHBondContact CE1-OD2 3.37Å; Y193-D272 HydrophobicContact CE2-CB 4.19Å; Y193-D272 HydrophobicContact CG-CB 4.36Å
194	F	86.6	Confident	87.1	Confident	35 Å²	35	53.9 Å²	53.9	15%	0.154	26%	0.264	C	S	.	.			trans	-56.5	141.8	166.9	169.5	-83.2	0	0	0	111.1	T174 Y178 P196 K268	T174-F194 HydrophobicContact CG2-CB 4.42Å; T174-F194 HydrophobicContact CG2-CD1 3.27Å; T174-F194 HydrophobicContact CG2-CE1 3.67Å; T174-F194 HydrophobicContact CG2-CG 3.99Å; T174-F194 WeakPolarHBondContact O-CB 3.39Å; Y178-F194 HydrophobicContact CD2-CD2 4.42Å; Y178-F194 HydrophobicContact CD2-CE2 4.38Å; F194-P196 HydrophobicContact CE1-CB 3.83Å; F194-P196 HydrophobicContact CE1-CG 4.38Å; F194-P196 HydrophobicContact CZ-CB 4.1Å; F194-K268 WeakPolarHBondContact O-CG 3.44Å; F194-K268 PolarHBondContact O-NZ 2.85Å
195	S	89.1	Confident	86.1	Confident	4 Å²	4	54.9 Å²	54.9	3%	0.028	27%	0.271	C	S	.	.			trans	-133.8	135.4	169.3	-179.3	0	0	0	0	110.8	F197 L265 L269	S195-F197 PolarHBondContact O-N 3.43Å; S195-L265 WeakPolarHBondContact CB-O 3.26Å; S195-L265 PolarHBondContact OG-O 3.26Å; S195-L269 VanDerWaalsContact CB-CD2 3.47Å
196	P	88.1	Confident	85.9	Confident	22 Å²	22	56.7 Å²	56.7	14%	0.143	28%	0.277	C	S	.	.			trans	-79.9	61	-173.1	32.7	-34.8	0	0	0	112.6	F194 L265 Y277	F194-P196 HydrophobicContact CE1-CB 3.83Å; F194-P196 HydrophobicContact CE1-CG 4.38Å; F194-P196 HydrophobicContact CZ-CB 4.1Å; P196-L265 HydrophobicContact CG-CD2 3.99Å; P196-L265 VanDerWaalsContact O-CD2 3.31Å; P196-L265 WeakPolarHBondContact O-CD2 3.45Å; P196-Y277 HydrophobicContact CB-CE2 4.09Å; P196-Y277 HydrophobicContact CG-CD1 4.09Å; P196-Y277 HydrophobicContact CG-CD2 3.64Å; P196-Y277 HydrophobicContact CG-CE1 3.85Å; P196-Y277 HydrophobicContact CG-CE2 3.35Å; P196-Y277 HydrophobicContact CG-CG 4.02Å; P196-Y277 VanDerWaalsContact CG-CZ 3.49Å
197	F	88.6	Confident	85.9	Confident	9 Å²	9	49.5 Å²	49.5	4%	0.039	24%	0.239	C	C	.	.			trans	-62.6	146	163.9	-71.1	-86.8	0	0	0	109.8	V179 S195 L207 Y216 L265 L269	V179-F197 HydrophobicContact CG2-CD2 4.21Å; S195-F197 PolarHBondContact O-N 3.43Å; F197-L207 HydrophobicContact CB-CD1 4.33Å; F197-L207 HydrophobicContact CD1-CD1 3.77Å; F197-L207 HydrophobicContact CD2-CD1 3.92Å; F197-L207 HydrophobicContact CE1-CD1 4Å; F197-L207 HydrophobicContact CE2-CD1 4.14Å; F197-L207 HydrophobicContact CG-CD1 3.73Å; F197-L207 HydrophobicContact CZ-CD1 4.17Å; F197-Y216 AromaticContact CD1-CD1 3.89Å; F197-Y216 HydrophobicContact CD1-CD1 3.89Å; F197-Y216 AromaticContact CD1-CD2 3.9Å; F197-Y216 HydrophobicContact CD1-CD2 3.9Å; F197-Y216 HydrophobicContact CD1-CE1 4.11Å; F197-Y216 HydrophobicContact CD1-CE2 4.14Å; F197-Y216 AromaticContact CD1-CG 3.77Å; F197-Y216 HydrophobicContact CD1-CG 3.77Å; F197-Y216 AromaticContact CE1-CD1 3.62Å; F197-Y216 HydrophobicContact CE1-CD1 3.62Å; F197-Y216 HydrophobicContact CE1-CD2 4.31Å; F197-Y216 HydrophobicContact CE1-CE1 4.17Å; F197-Y216 AromaticContact CE1-CG 3.7Å; F197-Y216 HydrophobicContact CE1-CG 3.7Å; F197-L265 HydrophobicContact CD1-CB 4.25Å; F197-L265 HydrophobicContact CD1-CD1 4.06Å; F197-L265 HydrophobicContact CE1-CB 3.74Å; F197-L265 HydrophobicContact CE1-CD1 4.21Å; F197-L265 HydrophobicContact CE2-CB 4.27Å; F197-L265 HydrophobicContact CZ-CB 3.75Å; F197-L269 HydrophobicContact CE2-CD1 3.9Å; F197-L269 HydrophobicContact CE2-CD2 4.01Å; F197-L269 HydrophobicContact CE2-CG 4Å; F197-L269 HydrophobicContact CZ-CD1 4.2Å
198	P	86.5	Confident	85.9	Confident	55 Å²	55	46.7 Å²	46.7	36%	0.357	23%	0.228	S	C	.	.			trans	-52.6	144.8	179	-26.6	34.7	0	0	0	112.1	D200 Y201 G202 Y216	P198-D200 PolarHBondContact O-N 3.41Å; P198-D200 VanDerWaalsContact O-N 3.08Å; P198-Y201 HydrophobicContact CB-CD2 4.22Å; P198-Y201 WeakPolarHBondContact O-CA 3.44Å; P198-Y201 VanDerWaalsContact O-CB 3.32Å; P198-Y201 WeakPolarHBondContact O-CB 3.41Å; P198-Y201 PolarHBondContact O-N 2.9Å; P198-G202 PolarHBondContact O-N 3Å; P198-Y216 WeakPolarHBondContact CD-OH 3.46Å; P198-Y216 HydrophobicContact CG-CE2 4.41Å
199	E	71.1	Confident	86	Confident	133 Å²	133	41.9 Å²	41.9	62%	0.621	21%	0.206	S	C	*	.	H	α-helix	trans	-48.4	-48.7	-156.4	-165.3	-179.7	162	0	0	115.3	Y201 G202 K203	E199-Y201 PolarHBondContact O-N 3.1Å; E199-Y201 VanDerWaalsContact O-N 3.15Å; E199-G202 PolarHBondContact O-N 2.69Å; E199-K203 HydrophobicContact CG-CD 4.43Å; E199-K203 PolarHBondContact O-N 3.03Å; E199-K203 WeakPolarHBondContact OE1-CE 3.41Å; E199-K203 IonicContact OE1-NZ 2.77Å; E199-K203 PolarHBondContact OE1-NZ 2.86Å
200	D	79.3	Confident	86.1	Confident	94 Å²	94	41.4 Å²	41.4	50%	0.503	20%	0.203	S	C	.	.	H	α-helix	trans	-57.9	-28.7	177.9	-47.7	6.5	0	0	0	114.7	P198 Q204 K218	P198-D200 PolarHBondContact O-N 3.41Å; P198-D200 VanDerWaalsContact O-N 3.08Å; D200-Q204 WeakPolarHBondContact O-CG 3.36Å; D200-Q204 PolarHBondContact O-NE2 3.17Å; D200-K218 IonicContact OD2-NZ 2.71Å; D200-K218 PolarHBondContact OD2-NZ 3.2Å
201	Y	80.6	Confident	86.4	Confident	61 Å²	61	38 Å²	38	24%	0.239	18%	0.184	C	C	.	.	H	α-helix	trans	-89.7	-38.4	-179.9	-64.2	-101.1	0	0	0	110.3	P198 E199 K203 Q204 L207 Y216 K218	P198-Y201 HydrophobicContact CB-CD2 4.22Å; P198-Y201 WeakPolarHBondContact O-CA 3.44Å; P198-Y201 VanDerWaalsContact O-CB 3.32Å; P198-Y201 WeakPolarHBondContact O-CB 3.41Å; P198-Y201 PolarHBondContact O-N 2.9Å; E199-Y201 PolarHBondContact O-N 3.1Å; E199-Y201 VanDerWaalsContact O-N 3.15Å; Y201-K203 PolarHBondContact O-N 2.8Å; Y201-Q204 WeakPolarHBondContact O-CB 3.48Å; Y201-Q204 PolarHBondContact O-N 3.33Å; Y201-Q204 VanDerWaalsContact O-N 3.1Å; Y201-L207 HydrophobicContact CD1-CD2 4.1Å; Y201-Y216 AromaticContact CD1-CD2 3.61Å; Y201-Y216 HydrophobicContact CD1-CD2 3.61Å; Y201-Y216 HydrophobicContact CD1-CE2 4.02Å; Y201-Y216 HydrophobicContact CD2-CE2 4.35Å; Y201-Y216 AromaticContact CE1-CD2 3.83Å; Y201-Y216 HydrophobicContact CE1-CD2 3.83Å; Y201-Y216 HydrophobicContact CE1-CE2 4.13Å; Y201-Y216 HydrophobicContact CE2-CE2 4.48Å; Y201-Y216 HydrophobicContact CG-CD2 4.09Å; Y201-Y216 HydrophobicContact CG-CE2 4.12Å; Y201-K218 HydrophobicContact CD1-CG 3.52Å; Y201-K218 HydrophobicContact CE1-CD 4.45Å; Y201-K218 HydrophobicContact CE1-CG 3.59Å; Y201-K218 HydrophobicContact CG-CG 4.12Å
202	G	69.2	Low	86.7	Confident	11 Å²	11	38.4 Å²	38.4	11%	0.113	18%	0.184	C	C	.	.	H	α-helix	trans	-54.3	-42.2	175	0	0	0	0	0	111.8	Y178 V179 P198 E199 Q204	Y178-G202 CarbonylContact C-O 3.6Å; Y178-G202 WeakPolarHBondContact CB-O 3.39Å; V179-G202 VanDerWaalsContact CG2-O 3.25Å; V179-G202 WeakPolarHBondContact CG2-O 3.45Å; V179-G202 PolarHBondContact N-O 3.28Å; P198-G202 PolarHBondContact O-N 3Å; E199-G202 PolarHBondContact O-N 2.69Å; G202-Q204 VanDerWaalsContact C-N 3.25Å; G202-Q204 PolarHBondContact O-N 2.81Å
203	K	73.3	Confident	87.1	Confident	120 Å²	120	36.2 Å²	36.2	52%	0.522	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	2.5	179.5	-65.3	173.5	-176.5	171.8	0	115.5	E199 Y201	E199-K203 HydrophobicContact CG-CD 4.43Å; E199-K203 PolarHBondContact O-N 3.03Å; E199-K203 WeakPolarHBondContact OE1-CE 3.41Å; E199-K203 IonicContact OE1-NZ 2.77Å; E199-K203 PolarHBondContact OE1-NZ 2.86Å; Y201-K203 PolarHBondContact O-N 2.8Å
204	Q	77	Confident	87.6	Confident	30 Å²	30	34.9 Å²	34.9	14%	0.14	17%	0.173	C	C	.	.			trans	-89.5	129.4	179.1	-57.1	-58	-49.3	0	0	111	V179 D200 Y201 G202 K206 L207 K218	V179-Q204 WeakPolarHBondContact CA-O 3.34Å; D200-Q204 WeakPolarHBondContact O-CG 3.36Å; D200-Q204 PolarHBondContact O-NE2 3.17Å; Y201-Q204 WeakPolarHBondContact O-CB 3.48Å; Y201-Q204 PolarHBondContact O-N 3.33Å; Y201-Q204 VanDerWaalsContact O-N 3.1Å; G202-Q204 VanDerWaalsContact C-N 3.25Å; G202-Q204 PolarHBondContact O-N 2.81Å; Q204-K206 PolarHBondContact O-N 2.92Å; Q204-L207 HydrophobicContact CB-CD2 3.99Å; Q204-L207 HydrophobicContact CG-CD2 4.23Å; Q204-K218 HydrophobicContact CG-CB 4.33Å; Q204-K218 HydrophobicContact CG-CG 4.26Å
205	P	78.7	Confident	88.1	Confident	29 Å²	29	37.9 Å²	37.9	19%	0.188	19%	0.186	C	C	.	.	S	Bend	trans	-64.3	-23.5	177.5	26.7	-34.9	0	0	0	112.6	D180 K181	D180-P205 WeakPolarHBondContact CB-O 3.43Å; D180-P205 PolarHBondContact N-O 3.47Å; K181-P205 PolarHBondContact N-O 3.11Å
206	K	89.1	Confident	88.5	Confident	44 Å²	44	39.6 Å²	39.6	19%	0.191	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	126	176.5	-175.8	176.1	173.6	-178.4	0	112.1	K181 E188 Q204 W208	K181-K206 HydrophobicContact CG-CG 4.49Å; K181-K206 VanDerWaalsContact O-CA 3.3Å; K181-K206 WeakPolarHBondContact O-CA 3.49Å; E188-K206 WeakPolarHBondContact OE1-CE 3.17Å; E188-K206 IonicContact OE1-NZ 2.73Å; E188-K206 PolarHBondContact OE1-NZ 3.43Å; Q204-K206 PolarHBondContact O-N 2.92Å; K206-W208 HydrophobicContact CD-CZ2 3.91Å; K206-W208 VanDerWaalsContact NZ-CZ2 3.3Å
207	L	95.2	Very high	88.9	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	149.1	168.5	-69.2	-177.4	0	0	0	112.2	V179 K181 I182 H183 F197 Y201 Q204 L209	V179-L207 HydrophobicContact CG1-CB 4.31Å; V179-L207 HydrophobicContact CG1-CD1 3.93Å; V179-L207 HydrophobicContact CG1-CG 3.89Å; V179-L207 HydrophobicContact CG2-CD1 3.83Å; V179-L207 HydrophobicContact CG2-CG 4.23Å; K181-L207 PolarHBondContact O-N 3.18Å; I182-L207 CarbonylContact C-O 3.56Å; I182-L207 VanDerWaalsContact CA-O 3.32Å; I182-L207 WeakPolarHBondContact CA-O 3.41Å; I182-L207 HydrophobicContact CG2-CB 4.37Å; H183-L207 PolarHBondContact N-O 2.85Å; F197-L207 HydrophobicContact CB-CD1 4.33Å; F197-L207 HydrophobicContact CD1-CD1 3.77Å; F197-L207 HydrophobicContact CD2-CD1 3.92Å; F197-L207 HydrophobicContact CE1-CD1 4Å; F197-L207 HydrophobicContact CE2-CD1 4.14Å; F197-L207 HydrophobicContact CG-CD1 3.73Å; F197-L207 HydrophobicContact CZ-CD1 4.17Å; Y201-L207 HydrophobicContact CD1-CD2 4.1Å; Q204-L207 HydrophobicContact CB-CD2 3.99Å; Q204-L207 HydrophobicContact CG-CD2 4.23Å; L207-L209 HydrophobicContact CB-CD1 3.9Å
208	W	97.2	Very high	89	Confident	26 Å²	26	40.8 Å²	40.8	10%	0.098	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	118	-179.2	-56.2	78.7	0	0	0	109.8	H183 K206 Y216 M217 E220 Y223	H183-W208 HydrophobicContact CB-CD2 4.15Å; H183-W208 HydrophobicContact CB-CE3 3.63Å; H183-W208 HydrophobicContact CB-CZ3 4.03Å; H183-W208 AromaticContact CD2-CZ3 3.59Å; H183-W208 AromaticContact CG-CE3 3.51Å; H183-W208 AromaticContact CG-CZ3 3.61Å; H183-W208 AromaticContact ND1-CE3 3.73Å; H183-W208 AromaticContact ND1-CZ3 3.99Å; H183-W208 AromaticContact NE2-CZ3 3.95Å; K206-W208 HydrophobicContact CD-CZ2 3.91Å; K206-W208 VanDerWaalsContact NZ-CZ2 3.3Å; W208-Y216 CarbonylContact O-C 3.48Å; W208-Y216 WeakPolarHBondContact O-CA 3.47Å; W208-M217 HydrophobicContact CB-CB 4.42Å; W208-M217 PolarHBondContact N-O 3.13Å; W208-M217 PolarHBondContact O-N 3Å; W208-E220 HydrophobicContact CD2-CB 4.26Å; W208-E220 HydrophobicContact CD2-CG 4.45Å; W208-E220 HydrophobicContact CE3-CB 4.39Å; W208-E220 HydrophobicContact CE3-CG 4.09Å; W208-E220 HydrophobicContact CH2-CB 3.69Å; W208-E220 HydrophobicContact CH2-CG 3.47Å; W208-E220 VanDerWaalsContact CH2-CG 3.47Å; W208-E220 HydrophobicContact CZ2-CB 3.55Å; W208-E220 HydrophobicContact CZ2-CG 3.91Å; W208-E220 HydrophobicContact CZ3-CB 4.14Å; W208-E220 HydrophobicContact CZ3-CG 3.6Å; W208-Y223 HydrophobicContact CB-CD1 4.49Å; W208-Y223 HydrophobicContact CB-CD2 3.97Å; W208-Y223 HydrophobicContact CB-CG 3.81Å; W208-Y223 HydrophobicContact CD2-CD1 4.47Å; W208-Y223 AromaticContact CE3-CD1 3.67Å; W208-Y223 HydrophobicContact CE3-CD1 3.67Å; W208-Y223 HydrophobicContact CE3-CE1 4.14Å; W208-Y223 HydrophobicContact CE3-CG 4.14Å; W208-Y223 HydrophobicContact CG-CG 4.48Å; W208-Y223 HydrophobicContact CZ3-CD1 4.32Å
209	L	98.4	Very high	89.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.6	-173.6	-79.9	73.2	0	0	0	111.2	I182 H183 I184 L207 E211 K215 Y223 L266	I182-L209 HydrophobicContact CB-CD1 4.27Å; I182-L209 HydrophobicContact CG2-CD1 4.12Å; H183-L209 PolarHBondContact O-N 2.99Å; I184-L209 HydrophobicContact CB-CB 4.3Å; I184-L209 HydrophobicContact CD1-CB 4.37Å; I184-L209 HydrophobicContact CG1-CB 4.33Å; L207-L209 HydrophobicContact CB-CD1 3.9Å; L209-E211 PolarHBondContact O-N 3.44Å; L209-K215 WeakPolarHBondContact CA-O 3.34Å; L209-Y223 WeakPolarHBondContact O-CE2 3.48Å; L209-L266 HydrophobicContact CD2-CB 4.16Å; L209-L266 HydrophobicContact CD2-CD1 3.95Å; L209-L266 HydrophobicContact CD2-CD2 4.29Å; L209-L266 HydrophobicContact CD2-CG 4.36Å
210	C	98.6	Very high	90.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.191	C	C	.	.			trans	-67.4	124.1	168.1	-177.8	0	0	0	0	110.3	Y212 C213 L214 K215 H226	C210-Y212 PolarHBondContact O-N 3.05Å; C210-C213 VanDerWaalsContact CB-SG 3.6Å; C210-C213 VanDerWaalsContact SG-SG 3.68Å; C210-L214 WeakPolarHBondContact O-CA 3.32Å; C210-L214 PolarHBondContact O-N 3.08Å; C210-K215 PolarHBondContact N-O 2.96Å; C210-H226 WeakPolarHBondContact CB-NE2 3.37Å
211	E	98.1	Very high	91.2	Very high	28 Å²	28	46 Å²	46	13%	0.131	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-24.4	-179.5	66	-169.5	148.1	0	0	114.3	I184 G185 L209 H297	I184-E211 HydrophobicContact CG1-CB 3.96Å; G185-E211 WeakPolarHBondContact CA-OE2 3.31Å; L209-E211 PolarHBondContact O-N 3.44Å; E211-H297 IonicContact OE1-CE1 2.77Å; E211-H297 IonicContact OE1-ND1 3.58Å; E211-H297 IonicContact OE2-CE1 3.79Å; E211-H297 IonicContact OE2-CG 3.88Å; E211-H297 IonicContact OE2-ND1 3.83Å; E211-H297 PolarHBondContact OE2-ND1 3.1Å
212	Y	98.4	Very high	91.9	Very high	13 Å²	13	45.4 Å²	45.4	5%	0.051	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-41.7	-176.8	-49.8	-69.7	0	0	0	114	C210 W232 Y259 H297	C210-Y212 PolarHBondContact O-N 3.05Å; Y212-W232 VanDerWaalsContact CB-O 3.29Å; Y212-W232 WeakPolarHBondContact CB-O 3.13Å; Y212-W232 VanDerWaalsContact CD2-O 3.25Å; Y212-W232 WeakPolarHBondContact CD2-O 3.06Å; Y212-W232 VanDerWaalsContact CG-O 3.27Å; Y212-Y259 WeakPolarHBondContact O-CE2 3.42Å; Y212-H297 PolarHBondContact OH-CE1 3.42Å
213	C	98.3	Very high	93.3	Very high	18 Å²	18	45.4 Å²	45.4	12%	0.122	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-0.7	-177.8	78.2	0	0	0	0	114.2	C210 K215 H226 W232 N262	C210-C213 VanDerWaalsContact CB-SG 3.6Å; C210-C213 VanDerWaalsContact SG-SG 3.68Å; C213-K215 PolarHBondContact O-N 3.43Å; C213-H226 PolarHBondContact SG-NE2 3.37Å; C213-W232 HydrophobicContact CB-CB 4.25Å; C213-W232 HydrophobicContact CB-CG 4.05Å; C213-N262 PolarHBondContact O-ND2 3.14Å
214	L	98.6	Very high	94.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	21%	0.208	C	C	.	.			trans	60.1	6.4	177.6	-52.7	178.8	0	0	0	115.8	I184 C210 Y216 Y259 N262 L263 L266 I298	I184-L214 HydrophobicContact CD1-CD2 4.26Å; C210-L214 WeakPolarHBondContact O-CA 3.32Å; C210-L214 PolarHBondContact O-N 3.08Å; L214-Y216 PolarHBondContact O-N 2.91Å; L214-Y259 HydrophobicContact CB-CE2 4.41Å; L214-Y259 HydrophobicContact CD1-CD2 4.21Å; L214-Y259 HydrophobicContact CD1-CE1 4.13Å; L214-Y259 HydrophobicContact CD1-CE2 3.61Å; L214-Y259 HydrophobicContact CG-CD2 4.25Å; L214-Y259 HydrophobicContact CG-CE2 3.65Å; L214-N262 HydrophobicContact CB-CB 3.62Å; L214-N262 WeakPolarHBondContact O-CB 3.39Å; L214-L263 HydrophobicContact CD1-CB 3.65Å; L214-L263 HydrophobicContact CD1-CD1 3.8Å; L214-L263 HydrophobicContact CD1-CG 4.26Å; L214-L266 HydrophobicContact CD2-CD2 4Å; L214-I298 HydrophobicContact CD1-CD1 4.24Å; L214-I298 HydrophobicContact CD2-CD1 4.25Å; L214-I298 HydrophobicContact CD2-CG2 4.19Å
215	K	98.1	Very high	95.4	Very high	98 Å²	98	52.4 Å²	52.4	43%	0.426	23%	0.232	S	C	.	.			trans	-57.5	122.8	175.2	-177.9	177.8	178.5	62.1	0	110.3	L209 C210 C213 M217	L209-K215 WeakPolarHBondContact CA-O 3.34Å; C210-K215 PolarHBondContact N-O 2.96Å; C213-K215 PolarHBondContact O-N 3.43Å; K215-M217 HydrophobicContact CG-CE 4.41Å; K215-M217 VanDerWaalsContact O-CE 3.27Å; K215-M217 WeakPolarHBondContact O-CE 3.49Å
216	Y	96.3	Very high	96.4	Very high	40 Å²	40	52.6 Å²	52.6	16%	0.157	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	147	173.4	52.6	-91.4	0	0	0	112.1	F197 P198 Y201 W208 L214 N262 L265	F197-Y216 AromaticContact CD1-CD1 3.89Å; F197-Y216 HydrophobicContact CD1-CD1 3.89Å; F197-Y216 AromaticContact CD1-CD2 3.9Å; F197-Y216 HydrophobicContact CD1-CD2 3.9Å; F197-Y216 HydrophobicContact CD1-CE1 4.11Å; F197-Y216 HydrophobicContact CD1-CE2 4.14Å; F197-Y216 AromaticContact CD1-CG 3.77Å; F197-Y216 HydrophobicContact CD1-CG 3.77Å; F197-Y216 AromaticContact CE1-CD1 3.62Å; F197-Y216 HydrophobicContact CE1-CD1 3.62Å; F197-Y216 HydrophobicContact CE1-CD2 4.31Å; F197-Y216 HydrophobicContact CE1-CE1 4.17Å; F197-Y216 AromaticContact CE1-CG 3.7Å; F197-Y216 HydrophobicContact CE1-CG 3.7Å; P198-Y216 WeakPolarHBondContact CD-OH 3.46Å; P198-Y216 HydrophobicContact CG-CE2 4.41Å; Y201-Y216 AromaticContact CD1-CD2 3.61Å; Y201-Y216 HydrophobicContact CD1-CD2 3.61Å; Y201-Y216 HydrophobicContact CD1-CE2 4.02Å; Y201-Y216 HydrophobicContact CD2-CE2 4.35Å; Y201-Y216 AromaticContact CE1-CD2 3.83Å; Y201-Y216 HydrophobicContact CE1-CD2 3.83Å; Y201-Y216 HydrophobicContact CE1-CE2 4.13Å; Y201-Y216 HydrophobicContact CE2-CE2 4.48Å; Y201-Y216 HydrophobicContact CG-CD2 4.09Å; Y201-Y216 HydrophobicContact CG-CE2 4.12Å; W208-Y216 CarbonylContact O-C 3.48Å; W208-Y216 WeakPolarHBondContact O-CA 3.47Å; L214-Y216 PolarHBondContact O-N 2.91Å; Y216-N262 VanDerWaalsContact CE1-OD1 3.26Å; Y216-N262 WeakPolarHBondContact CE1-OD1 3.47Å; Y216-L265 HydrophobicContact CE1-CD1 3.78Å
217	M	96.1	Very high	96.8	Very high	12 Å²	12	53.3 Å²	53.3	6%	0.059	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	144.7	-175.8	-75.6	159.9	-79	0	0	110.6	W208 K215 Y223 H226	W208-M217 HydrophobicContact CB-CB 4.42Å; W208-M217 PolarHBondContact N-O 3.13Å; W208-M217 PolarHBondContact O-N 3Å; K215-M217 HydrophobicContact CG-CE 4.41Å; K215-M217 VanDerWaalsContact O-CE 3.27Å; K215-M217 WeakPolarHBondContact O-CE 3.49Å; M217-Y223 HydrophobicContact CE-CD2 3.89Å; M217-H226 HydrophobicContact CE-CB 4.01Å; M217-H226 HydrophobicContact SD-CB 3.53Å; M217-H226 VanDerWaalsContact SD-CB 3.53Å
218	K	91.6	Very high	96.8	Very high	44 Å²	44	56 Å²	56	19%	0.191	26%	0.264	C	S	.	.	S	Bend	trans	-71.3	-33.7	-179.3	-56	179.4	-173.6	172.2	0	113.5	D200 Y201 Q204	D200-K218 IonicContact OD2-NZ 2.71Å; D200-K218 PolarHBondContact OD2-NZ 3.2Å; Y201-K218 HydrophobicContact CD1-CG 3.52Å; Y201-K218 HydrophobicContact CE1-CD 4.45Å; Y201-K218 HydrophobicContact CE1-CG 3.59Å; Y201-K218 HydrophobicContact CG-CG 4.12Å; Q204-K218 HydrophobicContact CG-CB 4.33Å; Q204-K218 HydrophobicContact CG-CG 4.26Å
219	Y	91.9	Very high	96.9	Very high	135 Å²	135	60.6 Å²	60.6	53%	0.529	29%	0.287	S	S	.	.			trans	-129.5	147.5	-165.7	-50.4	-56.5	0	0	0	112.9	K221 S222 Y223	Y219-K221 VanDerWaalsContact C-N 3.28Å; Y219-K221 PolarHBondContact O-N 2.92Å; Y219-S222 PolarHBondContact O-N 3.31Å; Y219-S222 PolarHBondContact O-OG 2.96Å; Y219-S222 VanDerWaalsContact O-OG 3.04Å; Y219-Y223 PolarHBondContact O-N 3.48Å
220	E	94.5	Very high	96.8	Very high	74 Å²	74	61 Å²	61	35%	0.346	29%	0.289	S	S	.	.	H	α-helix	trans	-60.9	-36.8	176.3	-164.7	-178	-175.9	0	0	112.7	W208 S222 Y223 R224	W208-E220 HydrophobicContact CD2-CB 4.26Å; W208-E220 HydrophobicContact CD2-CG 4.45Å; W208-E220 HydrophobicContact CE3-CB 4.39Å; W208-E220 HydrophobicContact CE3-CG 4.09Å; W208-E220 HydrophobicContact CH2-CB 3.69Å; W208-E220 HydrophobicContact CH2-CG 3.47Å; W208-E220 VanDerWaalsContact CH2-CG 3.47Å; W208-E220 HydrophobicContact CZ2-CB 3.55Å; W208-E220 HydrophobicContact CZ2-CG 3.91Å; W208-E220 HydrophobicContact CZ3-CB 4.14Å; W208-E220 HydrophobicContact CZ3-CG 3.6Å; E220-S222 VanDerWaalsContact C-N 3.33Å; E220-S222 PolarHBondContact O-N 3.11Å; E220-Y223 WeakPolarHBondContact O-CB 3.36Å; E220-Y223 PolarHBondContact O-N 3.22Å; E220-R224 VanDerWaalsContact CD-CZ 3.43Å; E220-R224 VanDerWaalsContact CD-NE 3.28Å; E220-R224 HydrophobicContact CG-CG 4.14Å; E220-R224 WeakPolarHBondContact O-CG 3.43Å; E220-R224 PolarHBondContact O-N 2.7Å; E220-R224 IonicContact OE1-CZ 3.17Å; E220-R224 IonicContact OE1-NE 2.9Å; E220-R224 PolarHBondContact OE1-NE 2.63Å; E220-R224 IonicContact OE1-NH2 2.69Å; E220-R224 PolarHBondContact OE1-NH2 3.31Å; E220-R224 IonicContact OE2-CZ 3.6Å; E220-R224 IonicContact OE2-NE 3.87Å; E220-R224 IonicContact OE2-NH2 2.95Å; E220-R224 PolarHBondContact OE2-NH2 2.83Å
221	K	95.6	Very high	96.8	Very high	184 Å²	184	68.7 Å²	68.7	80%	0.8	33%	0.325	S	S	*	.	H	α-helix	trans	-59.1	-43	178.8	-68.5	-177.3	-179.8	177	0	111.9	Y219 F225	Y219-K221 VanDerWaalsContact C-N 3.28Å; Y219-K221 PolarHBondContact O-N 2.92Å; K221-F225 WeakPolarHBondContact O-CB 3.27Å; K221-F225 PolarHBondContact O-N 3.11Å; K221-F225 VanDerWaalsContact O-N 3.13Å
222	S	96.7	Very high	96.8	Very high	48 Å²	48	73.5 Å²	73.5	34%	0.336	34%	0.343	S	S	.	.	H	α-helix	trans	-76	-31.2	176.4	46.8	0	0	0	0	112.6	Y219 E220 H226	Y219-S222 PolarHBondContact O-N 3.31Å; Y219-S222 PolarHBondContact O-OG 2.96Å; Y219-S222 VanDerWaalsContact O-OG 3.04Å; E220-S222 VanDerWaalsContact C-N 3.33Å; E220-S222 PolarHBondContact O-N 3.11Å; S222-H226 VanDerWaalsContact O-CB 3.24Å; S222-H226 WeakPolarHBondContact O-CB 3.49Å; S222-H226 PolarHBondContact O-N 3.02Å
223	Y	97.6	Very high	96.8	Very high	10 Å²	10	77.9 Å²	77.9	4%	0.039	36%	0.359	C	S	.	.	H	α-helix	trans	-60.9	-53.4	170.1	176.3	-114.2	0	0	0	112.6	H183 W208 L209 M217 Y219 E220 F225 H226 L227	H183-Y223 AromaticContact CE1-CE1 3.66Å; H183-Y223 AromaticContact CE1-CZ 4Å; H183-Y223 AromaticContact ND1-CE1 3.66Å; H183-Y223 AromaticContact ND1-CZ 3.77Å; W208-Y223 HydrophobicContact CB-CD1 4.49Å; W208-Y223 HydrophobicContact CB-CD2 3.97Å; W208-Y223 HydrophobicContact CB-CG 3.81Å; W208-Y223 HydrophobicContact CD2-CD1 4.47Å; W208-Y223 AromaticContact CE3-CD1 3.67Å; W208-Y223 HydrophobicContact CE3-CD1 3.67Å; W208-Y223 HydrophobicContact CE3-CE1 4.14Å; W208-Y223 HydrophobicContact CE3-CG 4.14Å; W208-Y223 HydrophobicContact CG-CG 4.48Å; W208-Y223 HydrophobicContact CZ3-CD1 4.32Å; L209-Y223 WeakPolarHBondContact O-CE2 3.48Å; M217-Y223 HydrophobicContact CE-CD2 3.89Å; Y219-Y223 PolarHBondContact O-N 3.48Å; E220-Y223 WeakPolarHBondContact O-CB 3.36Å; E220-Y223 PolarHBondContact O-N 3.22Å; Y223-F225 VanDerWaalsContact C-N 3.34Å; Y223-F225 PolarHBondContact O-N 3.3Å; Y223-H226 WeakPolarHBondContact O-CB 3.14Å; Y223-H226 PolarHBondContact O-N 3.19Å; Y223-H226 VanDerWaalsContact O-N 3.13Å; Y223-L227 HydrophobicContact CD1-CD1 4.26Å; Y223-L227 HydrophobicContact CE1-CD1 3.71Å; Y223-L227 HydrophobicContact CE1-CG 4.4Å; Y223-L227 HydrophobicContact CE2-CD1 4.28Å; Y223-L227 HydrophobicContact CE2-CD2 4.11Å; Y223-L227 HydrophobicContact CE2-CG 4.17Å; Y223-L227 WeakPolarHBondContact O-CG 3.48Å; Y223-L227 PolarHBondContact O-N 2.9Å
224	R	97.4	Very high	96.8	Very high	151 Å²	151	81.2 Å²	81.2	57%	0.57	37%	0.373	S	S	*	.	H	α-helix	trans	-59.9	-42.4	177.6	-66.8	179.2	-168.6	170.1	1.8	111.7	E220 L227 G228	E220-R224 VanDerWaalsContact CD-CZ 3.43Å; E220-R224 VanDerWaalsContact CD-NE 3.28Å; E220-R224 HydrophobicContact CG-CG 4.14Å; E220-R224 WeakPolarHBondContact O-CG 3.43Å; E220-R224 PolarHBondContact O-N 2.7Å; E220-R224 IonicContact OE1-CZ 3.17Å; E220-R224 IonicContact OE1-NE 2.9Å; E220-R224 PolarHBondContact OE1-NE 2.63Å; E220-R224 IonicContact OE1-NH2 2.69Å; E220-R224 PolarHBondContact OE1-NH2 3.31Å; E220-R224 IonicContact OE2-CZ 3.6Å; E220-R224 IonicContact OE2-NE 3.87Å; E220-R224 IonicContact OE2-NH2 2.95Å; E220-R224 PolarHBondContact OE2-NH2 2.83Å; R224-L227 PolarHBondContact O-N 3.07Å; R224-G228 PolarHBondContact O-N 2.9Å
225	F	98.2	Very high	96.8	Very high	146 Å²	146	81.4 Å²	81.4	64%	0.64	37%	0.374	S	S	*	.	H	α-helix	trans	-61.1	-44.6	174	180	-97.2	0	0	0	111.8	K221 Y223 L227 G228 Q229	K221-F225 WeakPolarHBondContact O-CB 3.27Å; K221-F225 PolarHBondContact O-N 3.11Å; K221-F225 VanDerWaalsContact O-N 3.13Å; Y223-F225 VanDerWaalsContact C-N 3.34Å; Y223-F225 PolarHBondContact O-N 3.3Å; F225-L227 PolarHBondContact O-N 2.89Å; F225-G228 PolarHBondContact O-N 3.36Å; F225-Q229 HydrophobicContact CD1-CG 4.43Å; F225-Q229 HydrophobicContact CE1-CG 4Å; F225-Q229 HydrophobicContact CE2-CG 4.4Å; F225-Q229 HydrophobicContact CZ-CG 3.99Å; F225-Q229 WeakPolarHBondContact O-CG 3.13Å; F225-Q229 PolarHBondContact O-N 3.48Å
226	H	98.4	Very high	96.8	Very high	33 Å²	33	77.1 Å²	77.1	15%	0.153	36%	0.356	C	S	.	.	H	α-helix	trans	-62.7	-41.2	177	176.4	73.3	0	0	0	112.5	C210 C213 M217 S222 Y223 G228 Q229 C230	C210-H226 WeakPolarHBondContact CB-NE2 3.37Å; C213-H226 PolarHBondContact SG-NE2 3.37Å; M217-H226 HydrophobicContact CE-CB 4.01Å; M217-H226 HydrophobicContact SD-CB 3.53Å; M217-H226 VanDerWaalsContact SD-CB 3.53Å; S222-H226 VanDerWaalsContact O-CB 3.24Å; S222-H226 WeakPolarHBondContact O-CB 3.49Å; S222-H226 PolarHBondContact O-N 3.02Å; Y223-H226 WeakPolarHBondContact O-CB 3.14Å; Y223-H226 PolarHBondContact O-N 3.19Å; Y223-H226 VanDerWaalsContact O-N 3.13Å; H226-G228 PolarHBondContact O-N 2.81Å; H226-Q229 PolarHBondContact O-N 2.56Å; H226-C230 WeakPolarHBondContact O-CB 3.3Å; H226-C230 PolarHBondContact O-N 2.81Å
227	L	97	Very high	96.9	Very high	60 Å²	60	77.1 Å²	77.1	31%	0.314	37%	0.368	S	S	.	.	H	α-helix	trans	-58.3	-37.1	174.8	-69.3	-179.7	0	0	0	112.4	Y223 R224 F225 Q229	Y223-L227 HydrophobicContact CD1-CD1 4.26Å; Y223-L227 HydrophobicContact CE1-CD1 3.71Å; Y223-L227 HydrophobicContact CE1-CG 4.4Å; Y223-L227 HydrophobicContact CE2-CD1 4.28Å; Y223-L227 HydrophobicContact CE2-CD2 4.11Å; Y223-L227 HydrophobicContact CE2-CG 4.17Å; Y223-L227 WeakPolarHBondContact O-CG 3.48Å; Y223-L227 PolarHBondContact O-N 2.9Å; R224-L227 PolarHBondContact O-N 3.07Å; F225-L227 PolarHBondContact O-N 2.89Å; L227-Q229 VanDerWaalsContact C-N 3.27Å; L227-Q229 PolarHBondContact O-N 2.65Å
228	G	96.7	Very high	97	Very high	57 Å²	57	81.5 Å²	81.5	59%	0.588	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-5.8	175.7	0	0	0	0	0	115.5	R224 F225 H226	R224-G228 PolarHBondContact O-N 2.9Å; F225-G228 PolarHBondContact O-N 3.36Å; H226-G228 PolarHBondContact O-N 2.81Å
229	Q	98	Very high	97.3	Very high	121 Å²	121	83 Å²	83	57%	0.565	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.7	-25.5	-179	-64.9	-64.7	-78.5	0	0	113.2	F225 H226 L227 Q231	F225-Q229 HydrophobicContact CD1-CG 4.43Å; F225-Q229 HydrophobicContact CE1-CG 4Å; F225-Q229 HydrophobicContact CE2-CG 4.4Å; F225-Q229 HydrophobicContact CZ-CG 3.99Å; F225-Q229 WeakPolarHBondContact O-CG 3.13Å; F225-Q229 PolarHBondContact O-N 3.48Å; H226-Q229 PolarHBondContact O-N 2.56Å; L227-Q229 VanDerWaalsContact C-N 3.27Å; L227-Q229 PolarHBondContact O-N 2.65Å; Q229-Q231 PolarHBondContact O-N 3.28Å; Q229-Q231 PolarHBondContact O-NE2 3.25Å
230	C	97.8	Very high	97.5	Very high	9 Å²	9	77.5 Å²	77.5	6%	0.061	37%	0.374	C	S	.	.			trans	-69.8	122.6	-177.8	-170.3	0	0	0	0	110.6	H226 R233	H226-C230 WeakPolarHBondContact O-CB 3.3Å; H226-C230 PolarHBondContact O-N 2.81Å; C230-R233 PolarHBondContact O-NH1 3.41Å; C230-R233 PolarHBondContact O-NH2 3.04Å
231	Q	97.7	Very high	97.6	Very high	162 Å²	162	75.2 Å²	75.2	76%	0.757	36%	0.363	S	S	*	.			trans	-88.8	-12.5	178.5	-54.7	-54.1	-52.6	0	0	113.2	Q229 R233	Q229-Q231 PolarHBondContact O-N 3.28Å; Q229-Q231 PolarHBondContact O-NE2 3.25Å; Q231-R233 PolarHBondContact O-N 3.44Å
232	W	98.1	Very high	97.5	Very high	129 Å²	129	72.2 Å²	72.2	49%	0.489	35%	0.346	S	S	.	.			trans	-68.5	128.7	178.2	-63.1	96.5	0	0	0	110.9	Y212 C213 P236	Y212-W232 VanDerWaalsContact CB-O 3.29Å; Y212-W232 WeakPolarHBondContact CB-O 3.13Å; Y212-W232 VanDerWaalsContact CD2-O 3.25Å; Y212-W232 WeakPolarHBondContact CD2-O 3.06Å; Y212-W232 VanDerWaalsContact CG-O 3.27Å; C213-W232 HydrophobicContact CB-CB 4.25Å; C213-W232 HydrophobicContact CB-CG 4.05Å; W232-P236 HydrophobicContact CH2-CB 3.99Å; W232-P236 HydrophobicContact CZ3-CB 3.81Å
233	R	98.3	Very high	97.3	Very high	105 Å²	105	74.2 Å²	74.2	40%	0.396	35%	0.349	S	S	.	.	S	Bend	trans	-126.6	13.9	170.8	-65.8	-61.3	-179.7	-84.9	-4.4	113	C230 Q231 Q294 G295 A296	C230-R233 PolarHBondContact O-NH1 3.41Å; C230-R233 PolarHBondContact O-NH2 3.04Å; Q231-R233 PolarHBondContact O-N 3.44Å; R233-Q294 VanDerWaalsContact CD-O 3.32Å; R233-Q294 WeakPolarHBondContact CD-O 3.45Å; R233-G295 CarbonylContact O-C 3.45Å; R233-G295 WeakPolarHBondContact O-CA 3.26Å; R233-A296 PolarHBondContact O-N 2.98Å
234	Q	98.5	Very high	97.1	Very high	88 Å²	88	78.7 Å²	78.7	41%	0.411	38%	0.382	S	S	.	.	S	Bend	trans	-160.9	165.6	177.3	54.2	176.5	63.1	0	0	108.6	Y249 A296	Q234-Y249 HydrophobicContact CB-CE1 4.24Å; Q234-Y249 HydrophobicContact CG-CE1 4.45Å; Q234-Y249 PolarHBondContact OE1-OH 3.02Å; Q234-A296 HydrophobicContact CB-CB 3.82Å
235	P	98.6	Very high	97	Very high	3 Å²	3	74.6 Å²	74.6	2%	0.019	37%	0.371	C	S	.	.			trans	-53.4	155.4	165.4	-25.5	35.8	0	0	0	112.4	Y249 I287 T289	P235-Y249 HydrophobicContact CB-CD1 4.34Å; P235-Y249 HydrophobicContact CB-CD2 4.11Å; P235-Y249 HydrophobicContact CB-CG 3.87Å; P235-Y249 HydrophobicContact CG-CD2 3.7Å; P235-Y249 HydrophobicContact CG-CE2 4.18Å; P235-Y249 HydrophobicContact CG-CG 4Å; P235-I287 HydrophobicContact CB-CB 4.28Å; P235-I287 HydrophobicContact CB-CG1 4.31Å; P235-I287 HydrophobicContact CB-CG2 4.33Å; P235-I287 HydrophobicContact CG-CB 4.06Å; P235-I287 HydrophobicContact CG-CG2 3.73Å; P235-T289 HydrophobicContact CG-CG2 3.73Å
236	P	98.4	Very high	96.9	Very high	9 Å²	9	68.2 Å²	68.2	6%	0.058	34%	0.344	C	S	.	.	S	Bend	trans	-70.8	-168.7	167.3	35	-36.7	0	0	0	110.6	W232 V251 H256 Y259	W232-P236 HydrophobicContact CH2-CB 3.99Å; W232-P236 HydrophobicContact CZ3-CB 3.81Å; P236-V251 HydrophobicContact CG-CG1 4.09Å; P236-V251 WeakPolarHBondContact O-CG2 3.26Å; P236-H256 HydrophobicContact CG-CB 4.17Å; P236-Y259 HydrophobicContact CG-CD1 3.7Å; P236-Y259 HydrophobicContact CG-CD2 3.94Å; P236-Y259 HydrophobicContact CG-CE1 4.14Å; P236-Y259 HydrophobicContact CG-CE2 4.34Å; P236-Y259 HydrophobicContact CG-CG 3.59Å
237	G	97.6	Very high	96.9	Very high	40 Å²	40	66.7 Å²	66.7	41%	0.412	34%	0.336	S	S	.	.	S	Bend	trans	69.1	-144.7	-177	0	0	0	0	0	112.8	E250 H256	G237-E250 WeakPolarHBondContact CA-O 3.13Å; G237-H256 WeakPolarHBondContact CA-NE2 3.22Å; G237-H256 PolarHBondContact N-CD2 3.17Å; G237-H256 VanDerWaalsContact N-CD2 3.35Å; G237-H256 PolarHBondContact N-NE2 3.48Å
238	K	97.9	Very high	96.9	Very high	103 Å²	103	63.9 Å²	63.9	45%	0.448	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.9	-163.4	175.7	-179.1	155.6	-138.4	0	111.5	I240 Y249 E250	K238-I240 HydrophobicContact CB-CG2 4.46Å; K238-I240 HydrophobicContact CD-CG2 4.01Å; K238-I240 HydrophobicContact CG-CG2 3.88Å; K238-I240 PolarHBondContact O-N 3.37Å; K238-Y249 CarbonylContact O-C 3.57Å; K238-Y249 VanDerWaalsContact O-CA 3.3Å; K238-Y249 WeakPolarHBondContact O-CA 3.13Å; K238-E250 PolarHBondContact N-O 2.75Å; K238-E250 IonicContact NZ-OE2 3.21Å; K238-E250 PolarHBondContact NZ-OE2 2.91Å; K238-E250 PolarHBondContact O-N 2.82Å
239	E	98.3	Very high	97	Very high	77 Å²	77	61.3 Å²	61.3	36%	0.36	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	104.1	170	-167.7	178.2	-143.6	0	0	108.8	R242 S247 Y249	E239-R242 WeakPolarHBondContact OE1-CD 3.49Å; E239-R242 IonicContact OE1-CZ 3.1Å; E239-R242 IonicContact OE1-NE 3.79Å; E239-R242 IonicContact OE1-NH1 3.16Å; E239-R242 PolarHBondContact OE1-NH1 2.89Å; E239-R242 IonicContact OE2-NH1 3.91Å; E239-S247 WeakPolarHBondContact OE1-CB 3.48Å; E239-S247 PolarHBondContact OE1-OG 3.44Å; E239-Y249 HydrophobicContact CB-CD1 4.01Å; E239-Y249 HydrophobicContact CB-CE1 3.71Å; E239-Y249 HydrophobicContact CG-CE1 4.19Å
240	I	96.8	Very high	97.1	Very high	19 Å²	19	58.2 Å²	58.2	10%	0.097	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-11.9	-179	56.5	159.9	0	0	0	113.3	K238 V248 E250 Y286 F335 W455	K238-I240 HydrophobicContact CB-CG2 4.46Å; K238-I240 HydrophobicContact CD-CG2 4.01Å; K238-I240 HydrophobicContact CG-CG2 3.88Å; K238-I240 PolarHBondContact O-N 3.37Å; I240-V248 PolarHBondContact N-O 3.07Å; I240-E250 HydrophobicContact CB-CB 4.45Å; I240-E250 HydrophobicContact CD1-CB 3.98Å; I240-E250 HydrophobicContact CG1-CB 4.02Å; I240-E250 HydrophobicContact CG2-CB 3.61Å; I240-E250 HydrophobicContact CG2-CG 4.32Å; I240-E250 WeakPolarHBondContact CG2-OE2 3.48Å; I240-Y286 HydrophobicContact CD1-CD1 3.9Å; I240-Y286 HydrophobicContact CD1-CE1 3.81Å; I240-F335 HydrophobicContact CD1-CE1 3.78Å; I240-F335 HydrophobicContact CD1-CZ 3.66Å; I240-F335 HydrophobicContact CG1-CZ 4.13Å; I240-W455 HydrophobicContact CB-CH2 4.43Å; I240-W455 HydrophobicContact CG2-CH2 4.42Å
241	Y	96.1	Very high	97.1	Very high	26 Å²	26	57.8 Å²	57.8	10%	0.102	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	133.6	176.2	169.2	-81.8	0	0	0	109.7	K243 I246 S247 V248 F331 F335 G438 W440	Y241-K243 HydrophobicContact CE1-CB 3.96Å; Y241-K243 VanDerWaalsContact OH-CB 3.27Å; Y241-K243 WeakPolarHBondContact OH-CB 3.34Å; Y241-K243 WeakPolarHBondContact OH-CD 3.42Å; Y241-I246 HydrophobicContact CE1-CG2 4.24Å; Y241-S247 CarbonylContact O-C 3.57Å; Y241-S247 VanDerWaalsContact O-CA 3.28Å; Y241-S247 WeakPolarHBondContact O-CA 3.27Å; Y241-V248 HydrophobicContact CD1-CG2 4.05Å; Y241-V248 PolarHBondContact N-O 2.96Å; Y241-V248 PolarHBondContact O-N 3.37Å; Y241-F331 HydrophobicContact CD1-CZ 4.14Å; Y241-F331 HydrophobicContact CE1-CE2 4.22Å; Y241-F331 AromaticContact CE1-CZ 3.62Å; Y241-F331 HydrophobicContact CE1-CZ 3.62Å; Y241-F331 AromaticContact CZ-CZ 3.84Å; Y241-F335 HydrophobicContact CD2-CE2 4.09Å; Y241-F335 AromaticContact CG-CE2 3.84Å; Y241-F335 HydrophobicContact CG-CE2 3.84Å; Y241-G438 WeakPolarHBondContact OH-CA 3.49Å; Y241-W440 HydrophobicContact CD2-CZ2 4.35Å; Y241-W440 HydrophobicContact CE2-CZ2 4.28Å
242	R	94.3	Very high	97.2	Very high	121 Å²	121	52.1 Å²	52.1	46%	0.457	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	130.2	172.5	-179	53.7	167.3	-96.7	6.9	110.6	E239 S244 S247	E239-R242 WeakPolarHBondContact OE1-CD 3.49Å; E239-R242 IonicContact OE1-CZ 3.1Å; E239-R242 IonicContact OE1-NE 3.79Å; E239-R242 IonicContact OE1-NH1 3.16Å; E239-R242 PolarHBondContact OE1-NH1 2.89Å; E239-R242 IonicContact OE2-NH1 3.91Å; R242-S244 PolarHBondContact NE-O 2.95Å; R242-S247 WeakPolarHBondContact CD-OG 3.43Å; R242-S247 PolarHBondContact NH1-OG 2.88Å
243	K	91.3	Very high	97.1	Very high	89 Å²	89	46 Å²	46	39%	0.387	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	116.9	169.9	-174.2	-179.5	-178.7	-179.9	0	110.7	Y241 N245 I246 T437 G438	Y241-K243 HydrophobicContact CE1-CB 3.96Å; Y241-K243 VanDerWaalsContact OH-CB 3.27Å; Y241-K243 WeakPolarHBondContact OH-CB 3.34Å; Y241-K243 WeakPolarHBondContact OH-CD 3.42Å; K243-N245 PolarHBondContact O-N 3.43Å; K243-I246 PolarHBondContact N-O 3.33Å; K243-I246 PolarHBondContact O-N 3.21Å; K243-T437 PolarHBondContact NZ-O 3.41Å; K243-G438 VanDerWaalsContact CD-O 3.31Å; K243-G438 WeakPolarHBondContact CD-O 3.32Å; K243-G438 PolarHBondContact NZ-O 3.13Å
244	S	93.6	Very high	97	Very high	104 Å²	104	47.3 Å²	47.3	73%	0.727	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	-130.6	-173.1	-167.3	0	0	0	0	110.4	R242 I246	R242-S244 PolarHBondContact NE-O 2.95Å; S244-I246 VanDerWaalsContact C-N 3.31Å; S244-I246 PolarHBondContact O-N 3.22Å
245	N	95.5	Very high	97	Very high	65 Å²	65	48.7 Å²	48.7	35%	0.348	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	8.6	173.4	69	-50.3	0	0	0	114.5	K243 E290 V291	K243-N245 PolarHBondContact O-N 3.43Å; N245-E290 CarbonylContact O-C 3.57Å; N245-E290 VanDerWaalsContact O-CA 3.29Å; N245-E290 WeakPolarHBondContact O-CA 3.37Å; N245-V291 VanDerWaalsContact CB-O 3.32Å; N245-V291 WeakPolarHBondContact CB-O 3.42Å; N245-V291 PolarHBondContact O-N 2.92Å
246	I	96.6	Very high	97	Very high	13 Å²	13	51.5 Å²	51.5	7%	0.067	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.1	-179.8	-55.9	-58	0	0	0	111.2	Y241 K243 S244 L288 E290 Y328 F331	Y241-I246 HydrophobicContact CE1-CG2 4.24Å; K243-I246 PolarHBondContact N-O 3.33Å; K243-I246 PolarHBondContact O-N 3.21Å; S244-I246 VanDerWaalsContact C-N 3.31Å; S244-I246 PolarHBondContact O-N 3.22Å; I246-L288 HydrophobicContact CG2-CD1 3.61Å; I246-E290 HydrophobicContact CD1-CG 3.73Å; I246-Y328 HydrophobicContact CD1-CE1 4.01Å; I246-F331 HydrophobicContact CG2-CE1 4.43Å; I246-F331 HydrophobicContact CG2-CZ 4.25Å
247	S	97.2	Very high	96.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	150.9	174.6	-53.1	0	0	0	0	113.1	E239 Y241 R242 T289 V291	E239-S247 WeakPolarHBondContact OE1-CB 3.48Å; E239-S247 PolarHBondContact OE1-OG 3.44Å; Y241-S247 CarbonylContact O-C 3.57Å; Y241-S247 VanDerWaalsContact O-CA 3.28Å; Y241-S247 WeakPolarHBondContact O-CA 3.27Å; R242-S247 WeakPolarHBondContact CD-OG 3.43Å; R242-S247 PolarHBondContact NH1-OG 2.88Å; S247-T289 WeakPolarHBondContact CB-OG1 3.43Å; S247-T289 PolarHBondContact N-O 3.22Å; S247-T289 PolarHBondContact O-N 3.28Å; S247-T289 PolarHBondContact O-OG1 2.59Å; S247-V291 WeakPolarHBondContact OG-CG2 3.42Å
248	V	98.6	Very high	96.9	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.012	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.8	166.1	-172.1	0	0	0	0	110.2	I240 Y241 I287 L288 F331 F335	I240-V248 PolarHBondContact N-O 3.07Å; Y241-V248 HydrophobicContact CD1-CG2 4.05Å; Y241-V248 PolarHBondContact N-O 2.96Å; Y241-V248 PolarHBondContact O-N 3.37Å; V248-I287 VanDerWaalsContact CA-O 3.3Å; V248-I287 WeakPolarHBondContact CA-O 3.22Å; V248-L288 HydrophobicContact CG2-CD1 4.11Å; V248-F331 HydrophobicContact CG2-CE1 3.72Å; V248-F331 HydrophobicContact CG2-CZ 4.27Å; V248-F335 HydrophobicContact CB-CE1 4.36Å; V248-F335 HydrophobicContact CB-CE2 4.12Å; V248-F335 HydrophobicContact CB-CZ 3.93Å; V248-F335 HydrophobicContact CG1-CD1 4.32Å; V248-F335 HydrophobicContact CG1-CE1 3.85Å; V248-F335 HydrophobicContact CG1-CE2 4.46Å; V248-F335 HydrophobicContact CG1-CZ 3.92Å; V248-F335 HydrophobicContact CG2-CD2 4.04Å; V248-F335 HydrophobicContact CG2-CE2 3.86Å; V248-F335 HydrophobicContact CG2-CG 4.49Å; V248-F335 HydrophobicContact CG2-CZ 4.15Å
249	Y	98.7	Very high	96.9	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.008	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.7	176.7	-64.7	-97.2	0	0	0	110.8	Q234 P235 K238 E239 Y286 I287 T289 A296	Q234-Y249 HydrophobicContact CB-CE1 4.24Å; Q234-Y249 HydrophobicContact CG-CE1 4.45Å; Q234-Y249 PolarHBondContact OE1-OH 3.02Å; P235-Y249 HydrophobicContact CB-CD1 4.34Å; P235-Y249 HydrophobicContact CB-CD2 4.11Å; P235-Y249 HydrophobicContact CB-CG 3.87Å; P235-Y249 HydrophobicContact CG-CD2 3.7Å; P235-Y249 HydrophobicContact CG-CE2 4.18Å; P235-Y249 HydrophobicContact CG-CG 4Å; K238-Y249 CarbonylContact O-C 3.57Å; K238-Y249 VanDerWaalsContact O-CA 3.3Å; K238-Y249 WeakPolarHBondContact O-CA 3.13Å; E239-Y249 HydrophobicContact CB-CD1 4.01Å; E239-Y249 HydrophobicContact CB-CE1 3.71Å; E239-Y249 HydrophobicContact CG-CE1 4.19Å; Y249-Y286 CarbonylContact O-C 3.57Å; Y249-Y286 WeakPolarHBondContact O-CA 3.31Å; Y249-I287 PolarHBondContact N-O 2.64Å; Y249-I287 PolarHBondContact O-N 2.7Å; Y249-T289 HydrophobicContact CD2-CG2 4.2Å; Y249-T289 HydrophobicContact CE2-CG2 4.16Å; Y249-A296 HydrophobicContact CE2-CB 4.08Å
250	E	98.8	Very high	96.9	Very high	56 Å²	56	50.6 Å²	50.6	26%	0.262	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	117.5	171.7	175	174.7	-99.7	0	0	108.7	G237 K238 I240 V284 Y286	G237-E250 WeakPolarHBondContact CA-O 3.13Å; K238-E250 PolarHBondContact N-O 2.75Å; K238-E250 IonicContact NZ-OE2 3.21Å; K238-E250 PolarHBondContact NZ-OE2 2.91Å; K238-E250 PolarHBondContact O-N 2.82Å; I240-E250 HydrophobicContact CB-CB 4.45Å; I240-E250 HydrophobicContact CD1-CB 3.98Å; I240-E250 HydrophobicContact CG1-CB 4.02Å; I240-E250 HydrophobicContact CG2-CB 3.61Å; I240-E250 HydrophobicContact CG2-CG 4.32Å; I240-E250 WeakPolarHBondContact CG2-OE2 3.48Å; E250-V284 HydrophobicContact CG-CG1 4.19Å; E250-Y286 HydrophobicContact CB-CE1 4.3Å; E250-Y286 HydrophobicContact CG-CE1 4.21Å
251	V	98.8	Very high	96.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	110.7	-171.1	-176.4	0	0	0	0	109.6	P236 H256 Y259 F285 I287	P236-V251 HydrophobicContact CG-CG1 4.09Å; P236-V251 WeakPolarHBondContact O-CG2 3.26Å; V251-H256 HydrophobicContact CG1-CB 3.8Å; V251-Y259 HydrophobicContact CG1-CD1 4.05Å; V251-Y259 HydrophobicContact CG1-CE1 4.41Å; V251-F285 HydrophobicContact CB-CB 4.27Å; V251-F285 PolarHBondContact N-O 3.08Å; V251-F285 PolarHBondContact O-N 3.24Å; V251-I287 HydrophobicContact CB-CG1 4.48Å; V251-I287 HydrophobicContact CG2-CG1 3.71Å
252	D	98.6	Very high	97	Very high	44 Å²	44	51 Å²	51	24%	0.235	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	128	175.2	-166.8	-60.7	0	0	0	110.8	K254 D255 H256 K306	D252-K254 VanDerWaalsContact C-N 3.26Å; D252-K254 PolarHBondContact O-N 2.98Å; D252-K254 WeakPolarHBondContact OD1-CA 3.27Å; D252-K254 WeakPolarHBondContact OD1-CB 3.24Å; D252-K254 PolarHBondContact OD1-N 3.13Å; D252-D255 HydrophobicContact CB-CB 4.27Å; D252-D255 PolarHBondContact O-N 2.84Å; D252-H256 PolarHBondContact O-N 2.96Å; D252-K306 IonicContact OD1-NZ 3.7Å; D252-K306 PolarHBondContact OD1-NZ 3.45Å; D252-K306 WeakPolarHBondContact OD2-CE 3.42Å; D252-K306 IonicContact OD2-NZ 2.81Å; D252-K306 PolarHBondContact OD2-NZ 3.21Å
253	G	97	Very high	97.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-15.7	-179.3	0	0	0	0	0	115.3	K257 V280 F283	G253-K257 WeakPolarHBondContact O-CA 3.29Å; G253-K257 WeakPolarHBondContact O-CB 3.33Å; G253-K257 PolarHBondContact O-N 3.09Å; G253-V280 WeakPolarHBondContact CA-O 3.4Å; G253-V280 WeakPolarHBondContact O-CG2 3.42Å; G253-F283 PolarHBondContact N-O 2.7Å
254	K	96.3	Very high	97.4	Very high	132 Å²	132	41.2 Å²	41.2	57%	0.574	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-52.4	170.5	-174.3	178	-178.9	179.4	0	110.7	D252 H256 E281	D252-K254 VanDerWaalsContact C-N 3.26Å; D252-K254 PolarHBondContact O-N 2.98Å; D252-K254 WeakPolarHBondContact OD1-CA 3.27Å; D252-K254 WeakPolarHBondContact OD1-CB 3.24Å; D252-K254 PolarHBondContact OD1-N 3.13Å; K254-H256 VanDerWaalsContact C-N 3.31Å; K254-H256 PolarHBondContact O-N 3.49Å; K254-E281 HydrophobicContact CB-CB 4.23Å; K254-E281 HydrophobicContact CB-CG 4.32Å
255	D	98.1	Very high	97.4	Very high	117 Å²	117	36.4 Å²	36.4	63%	0.626	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-28.1	-176	-60.3	-17.8	0	0	0	112.4	D252	D252-D255 HydrophobicContact CB-CB 4.27Å; D252-D255 PolarHBondContact O-N 2.84Å
256	H	98.2	Very high	97.5	Very high	62 Å²	62	33.3 Å²	33.3	29%	0.287	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	32.6	-175.5	-62	-32.7	0	0	0	113.3	P236 G237 V251 D252 K254 I258 Y259 C260	P236-H256 HydrophobicContact CG-CB 4.17Å; G237-H256 WeakPolarHBondContact CA-NE2 3.22Å; G237-H256 PolarHBondContact N-CD2 3.17Å; G237-H256 VanDerWaalsContact N-CD2 3.35Å; G237-H256 PolarHBondContact N-NE2 3.48Å; V251-H256 HydrophobicContact CG1-CB 3.8Å; D252-H256 PolarHBondContact O-N 2.96Å; K254-H256 VanDerWaalsContact C-N 3.31Å; K254-H256 PolarHBondContact O-N 3.49Å; H256-I258 PolarHBondContact O-N 3.39Å; H256-I258 VanDerWaalsContact O-N 3.1Å; H256-Y259 WeakPolarHBondContact O-CA 3.41Å; H256-Y259 WeakPolarHBondContact O-CB 3.32Å; H256-Y259 PolarHBondContact O-N 3.37Å; H256-C260 PolarHBondContact O-N 3.24Å; H256-C260 VanDerWaalsContact O-N 3.1Å
257	K	96.9	Very high	97.4	Very high	77 Å²	77	32.7 Å²	32.7	34%	0.335	16%	0.157	S	C	.	.	H	α-helix	trans	-37.9	-53.4	-175.6	-169.2	163.4	-172.2	169.6	0	115.5	G253 Y259 C260 Q261 V280 E281	G253-K257 WeakPolarHBondContact O-CA 3.29Å; G253-K257 WeakPolarHBondContact O-CB 3.33Å; G253-K257 PolarHBondContact O-N 3.09Å; K257-Y259 PolarHBondContact O-N 3.08Å; K257-C260 PolarHBondContact O-N 3.1Å; K257-Q261 HydrophobicContact CG-CG 4.44Å; K257-Q261 WeakPolarHBondContact O-CB 3.48Å; K257-Q261 VanDerWaalsContact O-CG 3.25Å; K257-Q261 WeakPolarHBondContact O-CG 3.21Å; K257-Q261 PolarHBondContact O-N 3.4Å; K257-V280 HydrophobicContact CB-CG2 4.43Å; K257-V280 HydrophobicContact CG-CG2 3.83Å; K257-E281 HydrophobicContact CD-CG 4.36Å; K257-E281 WeakPolarHBondContact CE-OE1 3.13Å; K257-E281 IonicContact NZ-OE1 3.78Å; K257-E281 PolarHBondContact NZ-OE1 2.87Å
258	I	97.3	Very high	97.2	Very high	116 Å²	116	32.8 Å²	32.8	60%	0.595	16%	0.158	S	C	*	.	H	α-helix	trans	-62.5	-39.4	-179.2	-58.2	-60.8	0	0	0	112.5	H256 N262	H256-I258 PolarHBondContact O-N 3.39Å; H256-I258 VanDerWaalsContact O-N 3.1Å; I258-N262 WeakPolarHBondContact O-CB 3.38Å; I258-N262 PolarHBondContact O-N 2.99Å; I258-N262 PolarHBondContact O-ND2 3.37Å; I258-N262 PolarHBondContact O-OD1 3.04Å
259	Y	98.6	Very high	96.9	Very high	18 Å²	18	32.7 Å²	32.7	7%	0.071	16%	0.157	C	C	.	.	H	α-helix	trans	-67.4	-44.3	177	178.2	-92	0	0	0	111.1	Y212 L214 P236 V251 H256 K257 N262 L263 I287	Y212-Y259 WeakPolarHBondContact O-CE2 3.42Å; L214-Y259 HydrophobicContact CB-CE2 4.41Å; L214-Y259 HydrophobicContact CD1-CD2 4.21Å; L214-Y259 HydrophobicContact CD1-CE1 4.13Å; L214-Y259 HydrophobicContact CD1-CE2 3.61Å; L214-Y259 HydrophobicContact CG-CD2 4.25Å; L214-Y259 HydrophobicContact CG-CE2 3.65Å; P236-Y259 HydrophobicContact CG-CD1 3.7Å; P236-Y259 HydrophobicContact CG-CD2 3.94Å; P236-Y259 HydrophobicContact CG-CE1 4.14Å; P236-Y259 HydrophobicContact CG-CE2 4.34Å; P236-Y259 HydrophobicContact CG-CG 3.59Å; V251-Y259 HydrophobicContact CG1-CD1 4.05Å; V251-Y259 HydrophobicContact CG1-CE1 4.41Å; H256-Y259 WeakPolarHBondContact O-CA 3.41Å; H256-Y259 WeakPolarHBondContact O-CB 3.32Å; H256-Y259 PolarHBondContact O-N 3.37Å; K257-Y259 PolarHBondContact O-N 3.08Å; Y259-N262 WeakPolarHBondContact O-CB 3.4Å; Y259-N262 PolarHBondContact O-N 2.89Å; Y259-L263 HydrophobicContact CE1-CD2 4.49Å; Y259-L263 WeakPolarHBondContact O-CB 3.3Å; Y259-L263 PolarHBondContact O-N 3.42Å; Y259-I287 HydrophobicContact CE1-CD1 4.22Å; Y259-I287 HydrophobicContact CE1-CG1 4.17Å
260	C	98.2	Very high	96.6	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.9	-34.7	179.7	-63.4	0	0	0	0	112.5	H256 K257 L263 C264 V280 F285	H256-C260 PolarHBondContact O-N 3.24Å; H256-C260 VanDerWaalsContact O-N 3.1Å; K257-C260 PolarHBondContact O-N 3.1Å; C260-L263 PolarHBondContact O-N 2.84Å; C260-C264 WeakPolarHBondContact O-CB 3.48Å; C260-C264 PolarHBondContact O-N 3.01Å; C260-C264 PolarHBondContact O-SG 3.07Å; C260-C264 VanDerWaalsContact O-SG 3.38Å; C260-V280 HydrophobicContact CB-CB 4.04Å; C260-V280 HydrophobicContact CB-CG1 4.22Å; C260-V280 HydrophobicContact CB-CG2 4.09Å; C260-F285 HydrophobicContact CB-CD2 3.97Å; C260-F285 HydrophobicContact CB-CE1 4.45Å; C260-F285 HydrophobicContact CB-CE2 3.63Å; C260-F285 HydrophobicContact CB-CZ 3.9Å; C260-F285 WeakPolarHBondContact SG-CD2 3.43Å
261	Q	95.9	Very high	96.2	Very high	37 Å²	37	31.5 Å²	31.5	17%	0.173	15%	0.152	C	C	.	.	H	α-helix	trans	-64.7	-46.4	170.6	-72.7	176.6	-21.2	0	0	111.7	K257 L263 C264 L265 F278 V280	K257-Q261 HydrophobicContact CG-CG 4.44Å; K257-Q261 WeakPolarHBondContact O-CB 3.48Å; K257-Q261 VanDerWaalsContact O-CG 3.25Å; K257-Q261 WeakPolarHBondContact O-CG 3.21Å; K257-Q261 PolarHBondContact O-N 3.4Å; Q261-L263 VanDerWaalsContact C-N 3.29Å; Q261-L263 PolarHBondContact O-N 2.86Å; Q261-C264 PolarHBondContact O-N 3.37Å; Q261-L265 WeakPolarHBondContact O-CG 3.4Å; Q261-L265 PolarHBondContact O-N 3.28Å; Q261-F278 PolarHBondContact NE2-O 2.99Å; Q261-V280 HydrophobicContact CG-CG1 4.18Å; Q261-V280 HydrophobicContact CG-CG2 3.98Å
262	N	98.1	Very high	95.3	Very high	16 Å²	16	33.2 Å²	33.2	9%	0.086	16%	0.162	C	C	.	.	H	α-helix	trans	-57.7	-42.9	173.9	-69.4	-18.5	0	0	0	111.7	C213 L214 Y216 I258 Y259 L265 L266	C213-N262 PolarHBondContact O-ND2 3.14Å; L214-N262 HydrophobicContact CB-CB 3.62Å; L214-N262 WeakPolarHBondContact O-CB 3.39Å; Y216-N262 VanDerWaalsContact CE1-OD1 3.26Å; Y216-N262 WeakPolarHBondContact CE1-OD1 3.47Å; I258-N262 WeakPolarHBondContact O-CB 3.38Å; I258-N262 PolarHBondContact O-N 2.99Å; I258-N262 PolarHBondContact O-ND2 3.37Å; I258-N262 PolarHBondContact O-OD1 3.04Å; Y259-N262 WeakPolarHBondContact O-CB 3.4Å; Y259-N262 PolarHBondContact O-N 2.89Å; N262-L265 PolarHBondContact O-N 2.56Å; N262-L266 WeakPolarHBondContact O-CB 3.13Å; N262-L266 PolarHBondContact O-N 2.91Å
263	L	98.4	Very high	94.3	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-63.3	-42.8	175.9	-179.9	60.6	0	0	0	112.2	L214 Y259 C260 Q261 L266 A267 F285 I287 I298 Y301	L214-L263 HydrophobicContact CD1-CB 3.65Å; L214-L263 HydrophobicContact CD1-CD1 3.8Å; L214-L263 HydrophobicContact CD1-CG 4.26Å; Y259-L263 HydrophobicContact CE1-CD2 4.49Å; Y259-L263 WeakPolarHBondContact O-CB 3.3Å; Y259-L263 PolarHBondContact O-N 3.42Å; C260-L263 PolarHBondContact O-N 2.84Å; Q261-L263 VanDerWaalsContact C-N 3.29Å; Q261-L263 PolarHBondContact O-N 2.86Å; L263-L266 PolarHBondContact O-N 2.91Å; L263-A267 WeakPolarHBondContact O-CB 3.48Å; L263-A267 PolarHBondContact O-N 2.98Å; L263-F285 HydrophobicContact CD2-CB 4.36Å; L263-F285 HydrophobicContact CD2-CD1 3.75Å; L263-F285 HydrophobicContact CD2-CE1 4.48Å; L263-F285 HydrophobicContact CD2-CG 4.36Å; L263-I287 HydrophobicContact CD2-CD1 3.34Å; L263-I298 HydrophobicContact CD1-CD1 3.85Å; L263-Y301 HydrophobicContact CD1-CD1 3.84Å; L263-Y301 HydrophobicContact CD1-CE1 4.09Å; L263-Y301 HydrophobicContact CD1-CG 4.21Å; L263-Y301 HydrophobicContact CD2-CD1 4.35Å; L263-Y301 HydrophobicContact CD2-CD2 3.82Å; L263-Y301 HydrophobicContact CD2-CE2 4.16Å; L263-Y301 HydrophobicContact CD2-CG 3.94Å; L263-Y301 HydrophobicContact CG-CD1 4.25Å; L263-Y301 HydrophobicContact CG-CD2 4.4Å; L263-Y301 HydrophobicContact CG-CE1 4.24Å; L263-Y301 HydrophobicContact CG-CE2 4.4Å; L263-Y301 HydrophobicContact CG-CG 4.34Å
264	C	95.7	Very high	93.6	Very high	2 Å²	2	37 Å²	37	1%	0.014	18%	0.178	C	C	.	.	H	α-helix	trans	-63.7	-41.4	176.5	-80.3	0	0	0	0	112.6	C260 Q261 A267 K268 K274	C260-C264 WeakPolarHBondContact O-CB 3.48Å; C260-C264 PolarHBondContact O-N 3.01Å; C260-C264 PolarHBondContact O-SG 3.07Å; C260-C264 VanDerWaalsContact O-SG 3.38Å; Q261-C264 PolarHBondContact O-N 3.37Å; C264-A267 PolarHBondContact O-N 3.06Å; C264-K268 WeakPolarHBondContact O-CB 3.05Å; C264-K268 PolarHBondContact O-N 3.25Å; C264-K274 WeakPolarHBondContact SG-CE 3.05Å; C264-K274 PolarHBondContact SG-NZ 3.47Å
265	L	94.6	Very high	92.4	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-65.9	-41.8	175.3	-69.5	173.7	0	0	0	112	S195 P196 F197 Y216 Q261 N262 A267 Y277 F278	S195-L265 WeakPolarHBondContact CB-O 3.26Å; S195-L265 PolarHBondContact OG-O 3.26Å; P196-L265 HydrophobicContact CG-CD2 3.99Å; P196-L265 VanDerWaalsContact O-CD2 3.31Å; P196-L265 WeakPolarHBondContact O-CD2 3.45Å; F197-L265 HydrophobicContact CD1-CB 4.25Å; F197-L265 HydrophobicContact CD1-CD1 4.06Å; F197-L265 HydrophobicContact CE1-CB 3.74Å; F197-L265 HydrophobicContact CE1-CD1 4.21Å; F197-L265 HydrophobicContact CE2-CB 4.27Å; F197-L265 HydrophobicContact CZ-CB 3.75Å; Y216-L265 HydrophobicContact CE1-CD1 3.78Å; Q261-L265 WeakPolarHBondContact O-CG 3.4Å; Q261-L265 PolarHBondContact O-N 3.28Å; N262-L265 PolarHBondContact O-N 2.56Å; L265-A267 VanDerWaalsContact C-N 3.35Å; L265-Y277 HydrophobicContact CD2-CD2 4.37Å; L265-F278 HydrophobicContact CD1-CE1 4.38Å; L265-F278 HydrophobicContact CD2-CE1 4.34Å
266	L	96.6	Very high	91.4	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-61	-43.2	171.1	169.7	59	0	0	0	111.4	I182 I184 L209 L214 N262 L263 L269 F270 L320	I182-L266 HydrophobicContact CD1-CD1 3.39Å; I184-L266 HydrophobicContact CD1-CD2 4.04Å; L209-L266 HydrophobicContact CD2-CB 4.16Å; L209-L266 HydrophobicContact CD2-CD1 3.95Å; L209-L266 HydrophobicContact CD2-CD2 4.29Å; L209-L266 HydrophobicContact CD2-CG 4.36Å; L214-L266 HydrophobicContact CD2-CD2 4Å; N262-L266 WeakPolarHBondContact O-CB 3.13Å; N262-L266 PolarHBondContact O-N 2.91Å; L263-L266 PolarHBondContact O-N 2.91Å; L266-L269 WeakPolarHBondContact O-CB 3.39Å; L266-L269 PolarHBondContact O-N 3.18Å; L266-F270 HydrophobicContact CD1-CE2 3.91Å; L266-F270 WeakPolarHBondContact O-CD2 3.48Å; L266-L320 HydrophobicContact CD1-CD2 4.25Å; L266-L320 HydrophobicContact CD2-CD2 4.34Å; L266-L320 HydrophobicContact CG-CD2 4.29Å
267	A	95.6	Very high	90.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-68.2	-37.4	-178	0	0	0	0	0	112.8	L263 C264 L265 L269 F270 L271 K274 Y301 L318	L263-A267 WeakPolarHBondContact O-CB 3.48Å; L263-A267 PolarHBondContact O-N 2.98Å; C264-A267 PolarHBondContact O-N 3.06Å; L265-A267 VanDerWaalsContact C-N 3.35Å; A267-L269 PolarHBondContact O-N 3.13Å; A267-F270 CarbonylContact O-C 3.53Å; A267-F270 PolarHBondContact O-N 3.26Å; A267-L271 HydrophobicContact CB-CD1 4.16Å; A267-L271 WeakPolarHBondContact O-CB 3.46Å; A267-L271 WeakPolarHBondContact O-CG 3.4Å; A267-L271 PolarHBondContact O-N 2.97Å; A267-K274 HydrophobicContact CB-CD 4.28Å; A267-Y301 HydrophobicContact CB-CE1 3.66Å; A267-Y301 VanDerWaalsContact CB-OH 3.27Å; A267-Y301 WeakPolarHBondContact CB-OH 3.47Å; A267-L318 HydrophobicContact CB-CD2 3.91Å
268	K	91.9	Very high	89.4	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.009	17%	0.167	C	C	.	.	H	α-helix	trans	-62.6	-25.1	178.8	-179.8	69.4	-167.9	76.8	0	113.1	F194 C264 F270 L271 D272 K274	F194-K268 WeakPolarHBondContact O-CG 3.44Å; F194-K268 PolarHBondContact O-NZ 2.85Å; C264-K268 WeakPolarHBondContact O-CB 3.05Å; C264-K268 PolarHBondContact O-N 3.25Å; K268-F270 PolarHBondContact O-N 2.81Å; K268-L271 WeakPolarHBondContact CD-O 3.22Å; K268-L271 PolarHBondContact NZ-O 3.39Å; K268-L271 VanDerWaalsContact NZ-O 3.11Å; K268-L271 PolarHBondContact O-N 3.47Å; K268-L271 VanDerWaalsContact O-O 3.05Å; K268-D272 WeakPolarHBondContact CE-O 3.38Å; K268-D272 PolarHBondContact NZ-O 3.38Å; K268-K274 HydrophobicContact CD-CB 3.83Å; K268-K274 VanDerWaalsContact CD-O 3.29Å; K268-K274 WeakPolarHBondContact CD-O 3.15Å
269	L	92.8	Very high	88.8	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.8	170.9	-64.8	170.3	0	0	0	113.4	V179 I182 A191 W192 Y193 S195 F197 L266 A267	V179-L269 HydrophobicContact CB-CD2 4.39Å; V179-L269 HydrophobicContact CG1-CD2 4.48Å; I182-L269 HydrophobicContact CD1-CD1 4.3Å; I182-L269 HydrophobicContact CG2-CD1 3.54Å; A191-L269 HydrophobicContact CB-CB 3.93Å; A191-L269 HydrophobicContact CB-CD1 4.43Å; A191-L269 HydrophobicContact CB-CD2 3.71Å; A191-L269 HydrophobicContact CB-CG 4.23Å; W192-L269 WeakPolarHBondContact CA-O 3.25Å; W192-L269 WeakPolarHBondContact CB-O 3.41Å; W192-L269 PolarHBondContact N-O 3.19Å; Y193-L269 PolarHBondContact N-O 3.12Å; S195-L269 VanDerWaalsContact CB-CD2 3.47Å; F197-L269 HydrophobicContact CE2-CD1 3.9Å; F197-L269 HydrophobicContact CE2-CD2 4.01Å; F197-L269 HydrophobicContact CE2-CG 4Å; F197-L269 HydrophobicContact CZ-CD1 4.2Å; L266-L269 WeakPolarHBondContact O-CB 3.39Å; L266-L269 PolarHBondContact O-N 3.18Å; A267-L269 PolarHBondContact O-N 3.13Å
270	F	93.1	Very high	88.5	Confident	7 Å²	7	31.3 Å²	31.3	3%	0.031	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.1	3.3	-176	-51.1	-65.8	0	0	0	113.5	I182 I189 W192 L266 A267 K268 L318 L320 P321	I182-F270 HydrophobicContact CD1-CE2 4.04Å; I182-F270 HydrophobicContact CD1-CZ 3.91Å; I182-F270 HydrophobicContact CG1-CZ 4.48Å; I189-F270 HydrophobicContact CB-CZ 4.39Å; I189-F270 HydrophobicContact CG2-CE1 3.74Å; I189-F270 HydrophobicContact CG2-CZ 3.65Å; W192-F270 AromaticContact CD2-CD1 3.97Å; W192-F270 HydrophobicContact CD2-CD1 3.97Å; W192-F270 HydrophobicContact CE3-CB 4.26Å; W192-F270 HydrophobicContact CE3-CD1 4.38Å; W192-F270 HydrophobicContact CG-CD1 4.03Å; L266-F270 HydrophobicContact CD1-CE2 3.91Å; L266-F270 WeakPolarHBondContact O-CD2 3.48Å; A267-F270 CarbonylContact O-C 3.53Å; A267-F270 PolarHBondContact O-N 3.26Å; K268-F270 PolarHBondContact O-N 2.81Å; F270-L318 HydrophobicContact CB-CD1 3.8Å; F270-L318 HydrophobicContact CB-CD2 4.23Å; F270-L318 HydrophobicContact CD2-CD2 4.13Å; F270-L320 HydrophobicContact CD2-CD2 4.27Å; F270-L320 HydrophobicContact CE2-CD2 4.09Å; F270-P321 HydrophobicContact CD1-CG 3.67Å; F270-P321 HydrophobicContact CE1-CG 3.6Å; F270-P321 HydrophobicContact CG-CG 4.27Å; F270-P321 HydrophobicContact CZ-CG 4.14Å
271	L	88.6	Confident	88.3	Confident	25 Å²	25	34.7 Å²	34.7	13%	0.131	17%	0.172	C	C	.	.			trans	-130	119.7	179.1	-64.5	176.3	0	0	0	109.3	A267 K268 K274 C316	A267-L271 HydrophobicContact CB-CD1 4.16Å; A267-L271 WeakPolarHBondContact O-CB 3.46Å; A267-L271 WeakPolarHBondContact O-CG 3.4Å; A267-L271 PolarHBondContact O-N 2.97Å; K268-L271 WeakPolarHBondContact CD-O 3.22Å; K268-L271 PolarHBondContact NZ-O 3.39Å; K268-L271 VanDerWaalsContact NZ-O 3.11Å; K268-L271 PolarHBondContact O-N 3.47Å; K268-L271 VanDerWaalsContact O-O 3.05Å; L271-K274 HydrophobicContact CB-CB 4.05Å; L271-K274 HydrophobicContact CD1-CD 4.08Å; L271-C316 HydrophobicContact CD1-CB 4.28Å
272	D	80.9	Confident	88.3	Confident	37 Å²	37	35.7 Å²	35.7	20%	0.198	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-68.8	-177.4	-146.6	-14.2	0	0	0	110.3	Y193 K268 K274	Y193-D272 HydrophobicContact CD1-CB 3.95Å; Y193-D272 VanDerWaalsContact CD1-CG 3.48Å; Y193-D272 WeakPolarHBondContact CD1-OD1 3.17Å; Y193-D272 HydrophobicContact CD2-CB 4.47Å; Y193-D272 HydrophobicContact CE1-CB 3.64Å; Y193-D272 WeakPolarHBondContact CE1-OD2 3.37Å; Y193-D272 HydrophobicContact CE2-CB 4.19Å; Y193-D272 HydrophobicContact CG-CB 4.36Å; K268-D272 WeakPolarHBondContact CE-O 3.38Å; K268-D272 PolarHBondContact NZ-O 3.38Å; D272-K274 VanDerWaalsContact C-N 3.26Å; D272-K274 PolarHBondContact O-N 2.94Å
273	H	76.8	Confident	88.2	Confident	108 Å²	108	35.8 Å²	35.8	50%	0.5	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	25.7	-173.2	-46	-66.5	0	0	0	115.8	T275	H273-T275 PolarHBondContact O-N 2.9Å
274	K	82.5	Confident	88.2	Confident	16 Å²	16	36.7 Å²	36.7	7%	0.07	19%	0.187	C	C	.	.			trans	-81.8	98	177.9	179	166	177.6	51.5	0	111	C264 A267 K268 L271 D272 L276 C316	C264-K274 WeakPolarHBondContact SG-CE 3.05Å; C264-K274 PolarHBondContact SG-NZ 3.47Å; A267-K274 HydrophobicContact CB-CD 4.28Å; K268-K274 HydrophobicContact CD-CB 3.83Å; K268-K274 VanDerWaalsContact CD-O 3.29Å; K268-K274 WeakPolarHBondContact CD-O 3.15Å; L271-K274 HydrophobicContact CB-CB 4.05Å; L271-K274 HydrophobicContact CD1-CD 4.08Å; D272-K274 VanDerWaalsContact C-N 3.26Å; D272-K274 PolarHBondContact O-N 2.94Å; K274-L276 VanDerWaalsContact CE-O 3.31Å; K274-L276 WeakPolarHBondContact CE-O 3.42Å; K274-L276 PolarHBondContact NZ-O 2.87Å; K274-C316 PolarHBondContact NZ-SG 2.99Å
275	T	71.5	Confident	88.4	Confident	85 Å²	85	36.7 Å²	36.7	52%	0.521	19%	0.186	S	C	.	.			trans	-80.1	-39.4	-176.5	52.8	0	0	0	0	114.1	H273 Y277	H273-T275 PolarHBondContact O-N 2.9Å; T275-Y277 WeakPolarHBondContact O-CD1 3.44Å; T275-Y277 WeakPolarHBondContact O-CE1 3.35Å
276	L	76.4	Confident	88.6	Confident	81 Å²	81	37.2 Å²	37.2	42%	0.424	19%	0.188	S	C	.	.			trans	-95	123.8	-177.9	-62.9	176.9	0	0	0	112.1	K274 F283	K274-L276 VanDerWaalsContact CE-O 3.31Å; K274-L276 WeakPolarHBondContact CE-O 3.42Å; K274-L276 PolarHBondContact NZ-O 2.87Å; L276-F283 HydrophobicContact CD1-CE2 3.9Å; L276-F283 HydrophobicContact CD1-CZ 3.86Å
277	Y	76.9	Confident	88.7	Confident	52 Å²	52	37.1 Å²	37.1	20%	0.204	19%	0.188	C	C	.	.	S	Bend	trans	-142.9	-26.6	-180	45.1	-92.2	0	0	0	115.6	P196 L265 T275	P196-Y277 HydrophobicContact CB-CE2 4.09Å; P196-Y277 HydrophobicContact CG-CD1 4.09Å; P196-Y277 HydrophobicContact CG-CD2 3.64Å; P196-Y277 HydrophobicContact CG-CE1 3.85Å; P196-Y277 HydrophobicContact CG-CE2 3.35Å; P196-Y277 HydrophobicContact CG-CG 4.02Å; P196-Y277 VanDerWaalsContact CG-CZ 3.49Å; L265-Y277 HydrophobicContact CD2-CD2 4.37Å; T275-Y277 WeakPolarHBondContact O-CD1 3.44Å; T275-Y277 WeakPolarHBondContact O-CE1 3.35Å
278	F	76.8	Confident	88.8	Confident	103 Å²	103	37.1 Å²	37.1	45%	0.452	19%	0.188	S	C	.	.	S	Bend	trans	-96.7	-37.9	172.9	-65	-41.1	0	0	0	113.7	Q261 L265 V280	Q261-F278 PolarHBondContact NE2-O 2.99Å; L265-F278 HydrophobicContact CD1-CE1 4.38Å; L265-F278 HydrophobicContact CD2-CE1 4.34Å; F278-V280 PolarHBondContact O-N 2.94Å
279	D	85.9	Confident	89.1	Confident	81 Å²	81	37 Å²	37	43%	0.433	19%	0.188	S	C	.	.			trans	-79.7	118.8	165.4	-168.6	12.4	0	0	0	109.4	E281 P282	D279-E281 PolarHBondContact OD1-N 3.36Å; D279-P282 VanDerWaalsContact OD1-CD 3.26Å; D279-P282 WeakPolarHBondContact OD1-CD 3.23Å
280	V	92.1	Very high	89.4	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.198	C	C	.	.			trans	-135.6	-7.1	-175.4	-67.5	0	0	0	0	111.5	G253 K257 C260 Q261 F278 F283 F285	G253-V280 WeakPolarHBondContact CA-O 3.4Å; G253-V280 WeakPolarHBondContact O-CG2 3.42Å; K257-V280 HydrophobicContact CB-CG2 4.43Å; K257-V280 HydrophobicContact CG-CG2 3.83Å; C260-V280 HydrophobicContact CB-CB 4.04Å; C260-V280 HydrophobicContact CB-CG1 4.22Å; C260-V280 HydrophobicContact CB-CG2 4.09Å; Q261-V280 HydrophobicContact CG-CG1 4.18Å; Q261-V280 HydrophobicContact CG-CG2 3.98Å; F278-V280 PolarHBondContact O-N 2.94Å; V280-F283 PolarHBondContact O-N 2.95Å; V280-F283 VanDerWaalsContact O-N 3.12Å; V280-F285 HydrophobicContact CB-CE2 4.16Å; V280-F285 HydrophobicContact CB-CZ 4.08Å; V280-F285 HydrophobicContact CG1-CZ 4.02Å
281	E	93.9	Very high	89.6	Confident	70 Å²	70	40.1 Å²	40.1	33%	0.327	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-30.5	-176.4	-55.1	-166.6	-155.3	0	0	114	K254 K257 D279 F283 K306	K254-E281 HydrophobicContact CB-CB 4.23Å; K254-E281 HydrophobicContact CB-CG 4.32Å; K257-E281 HydrophobicContact CD-CG 4.36Å; K257-E281 WeakPolarHBondContact CE-OE1 3.13Å; K257-E281 IonicContact NZ-OE1 3.78Å; K257-E281 PolarHBondContact NZ-OE1 2.87Å; D279-E281 PolarHBondContact OD1-N 3.36Å; E281-F283 PolarHBondContact O-N 3.02Å; E281-K306 WeakPolarHBondContact O-CE 3.23Å; E281-K306 PolarHBondContact O-NZ 3.38Å
282	P	95.4	Very high	90	Very high	58 Å²	58	42.8 Å²	42.8	38%	0.377	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-8.3	170.9	-23.7	35.3	0	0	0	115.1	D279 K306	D279-P282 VanDerWaalsContact OD1-CD 3.26Å; D279-P282 WeakPolarHBondContact OD1-CD 3.23Å; P282-K306 WeakPolarHBondContact O-CG 3.4Å; P282-K306 PolarHBondContact O-N 2.95Å
283	F	96.6	Very high	90.7	Very high	19 Å²	19	52.7 Å²	52.7	8%	0.083	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	148.1	-168.5	-63.3	-87	0	0	0	113.9	G253 L276 V280 E281 F285 K304 E305 A315	G253-F283 PolarHBondContact N-O 2.7Å; L276-F283 HydrophobicContact CD1-CE2 3.9Å; L276-F283 HydrophobicContact CD1-CZ 3.86Å; V280-F283 PolarHBondContact O-N 2.95Å; V280-F283 VanDerWaalsContact O-N 3.12Å; E281-F283 PolarHBondContact O-N 3.02Å; F283-F285 HydrophobicContact CB-CD2 4.25Å; F283-F285 HydrophobicContact CB-CE2 3.53Å; F283-F285 HydrophobicContact CB-CZ 3.84Å; F283-K304 WeakPolarHBondContact CA-O 3.37Å; F283-E305 HydrophobicContact CD1-CG 4.11Å; F283-E305 HydrophobicContact CE1-CG 3.57Å; F283-E305 HydrophobicContact CZ-CG 4.27Å; F283-A315 HydrophobicContact CD1-CB 4.46Å; F283-A315 HydrophobicContact CE1-CB 3.99Å
284	V	98.3	Very high	91.6	Very high	22 Å²	22	53.1 Å²	53.1	13%	0.133	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	138.5	161.5	-176.1	0	0	0	0	108.3	E250 Y286 S303 K304 K306	E250-V284 HydrophobicContact CG-CG1 4.19Å; V284-Y286 HydrophobicContact CB-CE2 4.16Å; V284-Y286 HydrophobicContact CG1-CD2 4.49Å; V284-Y286 HydrophobicContact CG1-CE1 4.35Å; V284-Y286 HydrophobicContact CG1-CE2 3.81Å; V284-S303 CarbonylContact O-C 3.51Å; V284-S303 WeakPolarHBondContact O-CA 3.33Å; V284-K304 PolarHBondContact N-O 3.32Å; V284-K304 PolarHBondContact O-N 2.77Å; V284-K306 HydrophobicContact CG2-CG 3.83Å
285	F	98.8	Very high	92.4	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.6	-177	-60.7	-105.4	0	0	0	109.9	V251 C260 L263 V280 F283 I287 Y301	V251-F285 HydrophobicContact CB-CB 4.27Å; V251-F285 PolarHBondContact N-O 3.08Å; V251-F285 PolarHBondContact O-N 3.24Å; C260-F285 HydrophobicContact CB-CD2 3.97Å; C260-F285 HydrophobicContact CB-CE1 4.45Å; C260-F285 HydrophobicContact CB-CE2 3.63Å; C260-F285 HydrophobicContact CB-CZ 3.9Å; C260-F285 WeakPolarHBondContact SG-CD2 3.43Å; L263-F285 HydrophobicContact CD2-CB 4.36Å; L263-F285 HydrophobicContact CD2-CD1 3.75Å; L263-F285 HydrophobicContact CD2-CE1 4.48Å; L263-F285 HydrophobicContact CD2-CG 4.36Å; V280-F285 HydrophobicContact CB-CE2 4.16Å; V280-F285 HydrophobicContact CB-CZ 4.08Å; V280-F285 HydrophobicContact CG1-CZ 4.02Å; F283-F285 HydrophobicContact CB-CD2 4.25Å; F283-F285 HydrophobicContact CB-CE2 3.53Å; F283-F285 HydrophobicContact CB-CZ 3.84Å; F285-I287 HydrophobicContact CB-CD1 3.82Å; F285-Y301 AromaticContact CD1-CD2 3.93Å; F285-Y301 HydrophobicContact CD1-CD2 3.93Å; F285-Y301 AromaticContact CD1-CE2 3.75Å; F285-Y301 HydrophobicContact CD1-CE2 3.75Å; F285-Y301 HydrophobicContact CE1-CE2 4.18Å
286	Y	98.8	Very high	93.6	Very high	13 Å²	13	48.9 Å²	48.9	5%	0.051	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	96.3	-178.5	-65.6	-83	0	0	0	109.4	I240 Y249 E250 V284 Y301 F302 K304 F335 L339	I240-Y286 HydrophobicContact CD1-CD1 3.9Å; I240-Y286 HydrophobicContact CD1-CE1 3.81Å; Y249-Y286 CarbonylContact O-C 3.57Å; Y249-Y286 WeakPolarHBondContact O-CA 3.31Å; E250-Y286 HydrophobicContact CB-CE1 4.3Å; E250-Y286 HydrophobicContact CG-CE1 4.21Å; V284-Y286 HydrophobicContact CB-CE2 4.16Å; V284-Y286 HydrophobicContact CG1-CD2 4.49Å; V284-Y286 HydrophobicContact CG1-CE1 4.35Å; V284-Y286 HydrophobicContact CG1-CE2 3.81Å; Y286-Y301 WeakPolarHBondContact O-CA 3.45Å; Y286-Y301 WeakPolarHBondContact O-CB 3.41Å; Y286-F302 HydrophobicContact CD1-CZ 4.41Å; Y286-F302 AromaticContact CD2-CD2 3.87Å; Y286-F302 HydrophobicContact CD2-CD2 3.87Å; Y286-F302 HydrophobicContact CD2-CE1 4.33Å; Y286-F302 AromaticContact CD2-CE2 3.26Å; Y286-F302 HydrophobicContact CD2-CE2 3.26Å; Y286-F302 AromaticContact CD2-CZ 3.52Å; Y286-F302 HydrophobicContact CD2-CZ 3.52Å; Y286-F302 AromaticContact CE2-CE2 3.9Å; Y286-F302 HydrophobicContact CE2-CE2 3.9Å; Y286-F302 HydrophobicContact CE2-CZ 4.29Å; Y286-F302 HydrophobicContact CG-CD2 4.5Å; Y286-F302 HydrophobicContact CG-CE1 4.08Å; Y286-F302 AromaticContact CG-CE2 3.84Å; Y286-F302 HydrophobicContact CG-CE2 3.84Å; Y286-F302 AromaticContact CG-CZ 3.58Å; Y286-F302 HydrophobicContact CG-CZ 3.58Å; Y286-F302 PolarHBondContact N-O 3.09Å; Y286-F302 PolarHBondContact O-N 2.59Å; Y286-K304 HydrophobicContact CE2-CB 4.14Å; Y286-F335 HydrophobicContact CD1-CE1 4.13Å; Y286-L339 HydrophobicContact CD1-CD1 3.97Å; Y286-L339 HydrophobicContact CD2-CD1 4.25Å; Y286-L339 HydrophobicContact CE1-CD1 3.53Å; Y286-L339 HydrophobicContact CE1-CD2 4.45Å; Y286-L339 HydrophobicContact CE2-CD1 3.84Å; Y286-L339 HydrophobicContact CG-CD1 4.3Å; Y286-L339 VanDerWaalsContact CZ-CD1 3.45Å
287	I	98.8	Very high	94.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	116.6	-170.5	-40.9	-55.4	0	0	0	110.1	P235 V248 Y249 V251 Y259 L263 F285 T289 I298 Y301	P235-I287 HydrophobicContact CB-CB 4.28Å; P235-I287 HydrophobicContact CB-CG1 4.31Å; P235-I287 HydrophobicContact CB-CG2 4.33Å; P235-I287 HydrophobicContact CG-CB 4.06Å; P235-I287 HydrophobicContact CG-CG2 3.73Å; V248-I287 VanDerWaalsContact CA-O 3.3Å; V248-I287 WeakPolarHBondContact CA-O 3.22Å; Y249-I287 PolarHBondContact N-O 2.64Å; Y249-I287 PolarHBondContact O-N 2.7Å; V251-I287 HydrophobicContact CB-CG1 4.48Å; V251-I287 HydrophobicContact CG2-CG1 3.71Å; Y259-I287 HydrophobicContact CE1-CD1 4.22Å; Y259-I287 HydrophobicContact CE1-CG1 4.17Å; L263-I287 HydrophobicContact CD2-CD1 3.34Å; F285-I287 HydrophobicContact CB-CD1 3.82Å; I287-T289 HydrophobicContact CG2-CG2 4.41Å; I287-I298 HydrophobicContact CG2-CD1 3.85Å; I287-I298 HydrophobicContact CG2-CG1 3.97Å; I287-Y301 HydrophobicContact CD1-CG 4.48Å
288	L	98.6	Very high	95.7	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	133.6	175.6	174.9	63.7	0	0	0	110.5	I246 V248 V299 G300 Y328 F331 L332	I246-L288 HydrophobicContact CG2-CD1 3.61Å; V248-L288 HydrophobicContact CG2-CD1 4.11Å; L288-V299 HydrophobicContact CD2-CG1 4.28Å; L288-V299 HydrophobicContact CG-CB 4.32Å; L288-V299 HydrophobicContact CG-CG1 4.43Å; L288-V299 PolarHBondContact O-N 2.87Å; L288-G300 PolarHBondContact N-O 3.33Å; L288-G300 PolarHBondContact O-N 3.04Å; L288-Y328 HydrophobicContact CD2-CD1 4Å; L288-Y328 HydrophobicContact CD2-CG 4.34Å; L288-F331 HydrophobicContact CD1-CD1 3.81Å; L288-F331 HydrophobicContact CD1-CE1 3.7Å; L288-F331 HydrophobicContact CD2-CD1 3.94Å; L288-L332 HydrophobicContact CB-CD2 3.68Å; L288-L332 HydrophobicContact CB-CG 4.47Å; L288-L332 HydrophobicContact CD2-CD1 4.32Å; L288-L332 HydrophobicContact CD2-CD2 3.89Å; L288-L332 HydrophobicContact CD2-CG 3.78Å; L288-L332 HydrophobicContact CG-CD2 4.44Å
289	T	98.6	Very high	96.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	151.8	-178	55.9	0	0	0	0	113	P235 S247 Y249 I287 A296 H297	P235-T289 HydrophobicContact CG-CG2 3.73Å; S247-T289 WeakPolarHBondContact CB-OG1 3.43Å; S247-T289 PolarHBondContact N-O 3.22Å; S247-T289 PolarHBondContact O-N 3.28Å; S247-T289 PolarHBondContact O-OG1 2.59Å; Y249-T289 HydrophobicContact CD2-CG2 4.2Å; Y249-T289 HydrophobicContact CE2-CG2 4.16Å; I287-T289 HydrophobicContact CG2-CG2 4.41Å; T289-A296 HydrophobicContact CG2-CB 4.09Å; T289-H297 CarbonylContact C-O 3.57Å; T289-H297 WeakPolarHBondContact CA-O 3.26Å; T289-H297 VanDerWaalsContact CB-O 3.24Å; T289-H297 WeakPolarHBondContact CB-O 3.43Å
290	E	97.6	Very high	97.3	Very high	47 Å²	47	35.3 Å²	35.3	22%	0.22	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	135.1	158.6	-86.1	-178.3	-111.2	0	0	108.8	N245 I246 A296 H297 V299 Y328	N245-E290 CarbonylContact O-C 3.57Å; N245-E290 VanDerWaalsContact O-CA 3.29Å; N245-E290 WeakPolarHBondContact O-CA 3.37Å; I246-E290 HydrophobicContact CD1-CG 3.73Å; E290-A296 CarbonylContact O-C 3.57Å; E290-H297 PolarHBondContact N-O 2.97Å; E290-H297 PolarHBondContact O-N 3.24Å; E290-V299 HydrophobicContact CB-CG2 4Å; E290-V299 HydrophobicContact CG-CG2 3.9Å; E290-Y328 HydrophobicContact CG-CE1 4.39Å; E290-Y328 PolarHBondContact OE1-OH 2.82Å
291	V	97.3	Very high	97.6	Very high	25 Å²	25	35.4 Å²	35.4	15%	0.152	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.6	-173.5	-166.1	0	0	0	0	111.4	N245 S247 G295 A296	N245-V291 VanDerWaalsContact CB-O 3.32Å; N245-V291 WeakPolarHBondContact CB-O 3.42Å; N245-V291 PolarHBondContact O-N 2.92Å; S247-V291 WeakPolarHBondContact OG-CG2 3.42Å; V291-G295 VanDerWaalsContact CA-O 3.3Å; V291-G295 WeakPolarHBondContact CA-O 3.28Å; V291-G295 WeakPolarHBondContact CG1-O 3.42Å; V291-A296 HydrophobicContact CB-CB 4.48Å; V291-A296 HydrophobicContact CG1-CB 4.29Å; V291-A296 HydrophobicContact CG2-CB 3.71Å
292	D	96.8	Very high	97.8	Very high	81 Å²	81	32.1 Å²	32.1	43%	0.433	15%	0.153	S	C	.	.			trans	-114.4	-140.8	176.7	78	-3.5	0	0	0	112.1	Q294 G295 H297	D292-Q294 WeakPolarHBondContact OD1-CA 3.13Å; D292-Q294 WeakPolarHBondContact OD1-CB 3.24Å; D292-Q294 PolarHBondContact OD1-N 2.6Å; D292-Q294 VanDerWaalsContact OD2-CD 3.26Å; D292-Q294 PolarHBondContact OD2-NE2 3.42Å; D292-Q294 PolarHBondContact OD2-OE1 3.48Å; D292-G295 PolarHBondContact N-O 3.31Å; D292-G295 PolarHBondContact OD1-N 3.36Å; D292-G295 VanDerWaalsContact OD1-N 3.14Å; D292-H297 IonicContact OD1-CD2 2.75Å; D292-H297 IonicContact OD1-NE2 3.14Å; D292-H297 PolarHBondContact OD1-NE2 2.57Å; D292-H297 VanDerWaalsContact OD1-NE2 3.16Å; D292-H297 IonicContact OD2-NE2 2.8Å
293	R	97.1	Very high	98	Very high	245 Å²	245	29.4 Å²	29.4	93%	0.925	14%	0.135	S	C	*	.	S	Bend	trans	-95.6	-11	175.1	-51.8	175.8	177.5	-179.8	-1.4	113.2
294	Q	96.2	Very high	98	Very high	116 Å²	116	29.8 Å²	29.8	54%	0.542	14%	0.137	S	C	.	.	S	Bend	trans	-97.4	-40.2	-178.2	-62.9	87.5	-88.7	0	0	110.6	R233 D292	R233-Q294 VanDerWaalsContact CD-O 3.32Å; R233-Q294 WeakPolarHBondContact CD-O 3.45Å; D292-Q294 WeakPolarHBondContact OD1-CA 3.13Å; D292-Q294 WeakPolarHBondContact OD1-CB 3.24Å; D292-Q294 PolarHBondContact OD1-N 2.6Å; D292-Q294 VanDerWaalsContact OD2-CD 3.26Å; D292-Q294 PolarHBondContact OD2-NE2 3.42Å; D292-Q294 PolarHBondContact OD2-OE1 3.48Å
295	G	97.5	Very high	97.8	Very high	10 Å²	10	31.1 Å²	31.1	10%	0.103	14%	0.142	C	C	.	.			trans	178.1	-166.5	174.5	0	0	0	0	0	114.9	R233 V291 D292 H297	R233-G295 CarbonylContact O-C 3.45Å; R233-G295 WeakPolarHBondContact O-CA 3.26Å; V291-G295 VanDerWaalsContact CA-O 3.3Å; V291-G295 WeakPolarHBondContact CA-O 3.28Å; V291-G295 WeakPolarHBondContact CG1-O 3.42Å; D292-G295 PolarHBondContact N-O 3.31Å; D292-G295 PolarHBondContact OD1-N 3.36Å; D292-G295 VanDerWaalsContact OD1-N 3.14Å; G295-H297 PolarHBondContact O-CD2 2.8Å
296	A	98.4	Very high	97.6	Very high	2 Å²	2	35.1 Å²	35.1	2%	0.017	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	103.1	170.9	0	0	0	0	0	109.4	R233 Q234 Y249 T289 E290 V291	R233-A296 PolarHBondContact O-N 2.98Å; Q234-A296 HydrophobicContact CB-CB 3.82Å; Y249-A296 HydrophobicContact CE2-CB 4.08Å; T289-A296 HydrophobicContact CG2-CB 4.09Å; E290-A296 CarbonylContact O-C 3.57Å; V291-A296 HydrophobicContact CB-CB 4.48Å; V291-A296 HydrophobicContact CG1-CB 4.29Å; V291-A296 HydrophobicContact CG2-CB 3.71Å
297	H	98.4	Very high	97.2	Very high	23 Å²	23	42.9 Å²	42.9	11%	0.106	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	130.8	-174.5	-57.5	-92	0	0	0	110.6	E211 Y212 T289 E290 D292 G295 V299	E211-H297 IonicContact OE1-CE1 2.77Å; E211-H297 IonicContact OE1-ND1 3.58Å; E211-H297 IonicContact OE2-CE1 3.79Å; E211-H297 IonicContact OE2-CG 3.88Å; E211-H297 IonicContact OE2-ND1 3.83Å; E211-H297 PolarHBondContact OE2-ND1 3.1Å; Y212-H297 PolarHBondContact OH-CE1 3.42Å; T289-H297 CarbonylContact C-O 3.57Å; T289-H297 WeakPolarHBondContact CA-O 3.26Å; T289-H297 VanDerWaalsContact CB-O 3.24Å; T289-H297 WeakPolarHBondContact CB-O 3.43Å; E290-H297 PolarHBondContact N-O 2.97Å; E290-H297 PolarHBondContact O-N 3.24Å; D292-H297 IonicContact OD1-CD2 2.75Å; D292-H297 IonicContact OD1-NE2 3.14Å; D292-H297 PolarHBondContact OD1-NE2 2.57Å; D292-H297 VanDerWaalsContact OD1-NE2 3.16Å; D292-H297 IonicContact OD2-NE2 2.8Å; G295-H297 PolarHBondContact O-CD2 2.8Å; H297-V299 PolarHBondContact O-N 3.25Å
298	I	98.4	Very high	96.8	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.041	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	127.5	-178.9	-172.7	167.8	0	0	0	112.2	I184 L214 L263 I287 L320	I184-I298 HydrophobicContact CD1-CG2 4.11Å; L214-I298 HydrophobicContact CD1-CD1 4.24Å; L214-I298 HydrophobicContact CD2-CD1 4.25Å; L214-I298 HydrophobicContact CD2-CG2 4.19Å; L263-I298 HydrophobicContact CD1-CD1 3.85Å; I287-I298 HydrophobicContact CG2-CD1 3.85Å; I287-I298 HydrophobicContact CG2-CG1 3.97Å; I298-L320 HydrophobicContact CG1-CD1 4.3Å; I298-L320 HydrophobicContact CG2-CD1 3.96Å
299	V	97.9	Very high	96.3	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-35.3	179.4	170.7	0	0	0	0	111	L288 E290 H297 L320 Y323 Y328	L288-V299 HydrophobicContact CD2-CG1 4.28Å; L288-V299 HydrophobicContact CG-CB 4.32Å; L288-V299 HydrophobicContact CG-CG1 4.43Å; L288-V299 PolarHBondContact O-N 2.87Å; E290-V299 HydrophobicContact CB-CG2 4Å; E290-V299 HydrophobicContact CG-CG2 3.9Å; H297-V299 PolarHBondContact O-N 3.25Å; V299-L320 PolarHBondContact O-N 2.93Å; V299-Y323 HydrophobicContact CB-CD1 4.47Å; V299-Y323 HydrophobicContact CB-CG 4.38Å; V299-Y323 HydrophobicContact CG1-CD1 4.07Å; V299-Y323 HydrophobicContact CG1-CD2 4.41Å; V299-Y323 HydrophobicContact CG1-CG 3.88Å; V299-Y323 HydrophobicContact CG2-CD1 3.97Å; V299-Y323 HydrophobicContact CG2-CE1 3.87Å; V299-Y323 HydrophobicContact CG2-CE2 4.49Å; V299-Y323 HydrophobicContact CG2-CG 4.35Å; V299-Y328 HydrophobicContact CG1-CD1 3.73Å; V299-Y328 HydrophobicContact CG1-CD2 3.59Å; V299-Y328 HydrophobicContact CG1-CE1 4.18Å; V299-Y328 HydrophobicContact CG1-CE2 4.06Å; V299-Y328 HydrophobicContact CG1-CG 3.41Å; V299-Y328 VanDerWaalsContact CG1-CG 3.41Å
300	G	98.1	Very high	95.7	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.7	-178.2	-177.8	0	0	0	0	0	111.4	L288 L318	L288-G300 PolarHBondContact N-O 3.33Å; L288-G300 PolarHBondContact O-N 3.04Å; G300-L318 CarbonylContact C-O 3.56Å; G300-L318 WeakPolarHBondContact CA-O 3.42Å
301	Y	98.7	Very high	95.5	Very high	2 Å²	2	56 Å²	56	1%	0.008	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	169.7	175.7	82.7	-70.8	0	0	0	111.1	L263 A267 F285 Y286 I287 L318	L263-Y301 HydrophobicContact CD1-CD1 3.84Å; L263-Y301 HydrophobicContact CD1-CE1 4.09Å; L263-Y301 HydrophobicContact CD1-CG 4.21Å; L263-Y301 HydrophobicContact CD2-CD1 4.35Å; L263-Y301 HydrophobicContact CD2-CD2 3.82Å; L263-Y301 HydrophobicContact CD2-CE2 4.16Å; L263-Y301 HydrophobicContact CD2-CG 3.94Å; L263-Y301 HydrophobicContact CG-CD1 4.25Å; L263-Y301 HydrophobicContact CG-CD2 4.4Å; L263-Y301 HydrophobicContact CG-CE1 4.24Å; L263-Y301 HydrophobicContact CG-CE2 4.4Å; L263-Y301 HydrophobicContact CG-CG 4.34Å; A267-Y301 HydrophobicContact CB-CE1 3.66Å; A267-Y301 VanDerWaalsContact CB-OH 3.27Å; A267-Y301 WeakPolarHBondContact CB-OH 3.47Å; F285-Y301 AromaticContact CD1-CD2 3.93Å; F285-Y301 HydrophobicContact CD1-CD2 3.93Å; F285-Y301 AromaticContact CD1-CE2 3.75Å; F285-Y301 HydrophobicContact CD1-CE2 3.75Å; F285-Y301 HydrophobicContact CE1-CE2 4.18Å; Y286-Y301 WeakPolarHBondContact O-CA 3.45Å; Y286-Y301 WeakPolarHBondContact O-CB 3.41Å; I287-Y301 HydrophobicContact CD1-CG 4.48Å; Y301-L318 HydrophobicContact CD1-CB 4.09Å; Y301-L318 HydrophobicContact CE1-CB 3.84Å; Y301-L318 HydrophobicContact CE1-CD2 4.29Å; Y301-L318 PolarHBondContact N-O 2.86Å; Y301-L318 PolarHBondContact O-N 3.26Å
302	F	98.5	Very high	95.3	Very high	1 Å²	1	56 Å²	56	0%	0.004	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	153.8	150.8	68.4	-89.5	0	0	0	110.5	Y286 V314 C316 I317 L332 F335 L339	Y286-F302 HydrophobicContact CD1-CZ 4.41Å; Y286-F302 AromaticContact CD2-CD2 3.87Å; Y286-F302 HydrophobicContact CD2-CD2 3.87Å; Y286-F302 HydrophobicContact CD2-CE1 4.33Å; Y286-F302 AromaticContact CD2-CE2 3.26Å; Y286-F302 HydrophobicContact CD2-CE2 3.26Å; Y286-F302 AromaticContact CD2-CZ 3.52Å; Y286-F302 HydrophobicContact CD2-CZ 3.52Å; Y286-F302 AromaticContact CE2-CE2 3.9Å; Y286-F302 HydrophobicContact CE2-CE2 3.9Å; Y286-F302 HydrophobicContact CE2-CZ 4.29Å; Y286-F302 HydrophobicContact CG-CD2 4.5Å; Y286-F302 HydrophobicContact CG-CE1 4.08Å; Y286-F302 AromaticContact CG-CE2 3.84Å; Y286-F302 HydrophobicContact CG-CE2 3.84Å; Y286-F302 AromaticContact CG-CZ 3.58Å; Y286-F302 HydrophobicContact CG-CZ 3.58Å; Y286-F302 PolarHBondContact N-O 3.09Å; Y286-F302 PolarHBondContact O-N 2.59Å; F302-V314 HydrophobicContact CB-CG1 4.13Å; F302-V314 HydrophobicContact CD2-CG2 3.87Å; F302-V314 HydrophobicContact CE2-CG2 4.34Å; F302-V314 HydrophobicContact CG-CG2 4.26Å; F302-C316 CarbonylContact C-O 3.6Å; F302-C316 WeakPolarHBondContact CA-O 3.15Å; F302-C316 VanDerWaalsContact CB-O 3.31Å; F302-C316 WeakPolarHBondContact CB-O 3.45Å; F302-I317 HydrophobicContact CB-CB 3.95Å; F302-I317 HydrophobicContact CB-CD1 4.41Å; F302-I317 HydrophobicContact CB-CG1 4.06Å; F302-L332 HydrophobicContact CD1-CB 4.36Å; F302-L332 HydrophobicContact CD1-CD2 4.01Å; F302-F335 HydrophobicContact CE1-CB 4.32Å; F302-F335 AromaticContact CE1-CD1 3.93Å; F302-F335 HydrophobicContact CE1-CD1 3.93Å; F302-F335 HydrophobicContact CZ-CD1 4.05Å; F302-L339 HydrophobicContact CE2-CD1 4.28Å; F302-L339 HydrophobicContact CZ-CD1 3.81Å
303	S	97.9	Very high	95.3	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.007	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	152.6	167.3	59.5	0	0	0	0	110.3	V284 A315 C316	V284-S303 CarbonylContact O-C 3.51Å; V284-S303 WeakPolarHBondContact O-CA 3.33Å; S303-A315 PolarHBondContact O-N 3.11Å; S303-C316 PolarHBondContact N-O 3.04Å; S303-C316 WeakPolarHBondContact OG-CB 3.44Å; S303-C316 PolarHBondContact OG-N 3.36Å
304	K	97.3	Very high	95.4	Very high	27 Å²	27	40.7 Å²	40.7	12%	0.117	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	139.7	174.9	-172.8	-169.2	166.4	179.6	0	108.2	F283 V284 Y286 E343	F283-K304 WeakPolarHBondContact CA-O 3.37Å; V284-K304 PolarHBondContact N-O 3.32Å; V284-K304 PolarHBondContact O-N 2.77Å; Y286-K304 HydrophobicContact CE2-CB 4.14Å; K304-E343 IonicContact NZ-OE1 2.7Å; K304-E343 PolarHBondContact NZ-OE1 3.39Å; K304-E343 IonicContact NZ-OE2 3.2Å; K304-E343 PolarHBondContact NZ-OE2 2.95Å
305	E	95	Very high	95.2	Very high	50 Å²	50	35.9 Å²	35.9	23%	0.234	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	144.2	169.6	-58.9	171.3	110.8	0	0	109.8	F283 E307 S308	F283-E305 HydrophobicContact CD1-CG 4.11Å; F283-E305 HydrophobicContact CE1-CG 3.57Å; F283-E305 HydrophobicContact CZ-CG 4.27Å; E305-E307 VanDerWaalsContact C-N 3.31Å; E305-S308 WeakPolarHBondContact OE2-CB 3.46Å; E305-S308 PolarHBondContact OE2-OG 3.08Å
306	K	93.4	Very high	95.1	Very high	86 Å²	86	36.4 Å²	36.4	37%	0.374	20%	0.202	S	C	.	.	S	Bend	trans	-66.3	-38.6	173.5	-71.3	167.8	-179.4	178.4	0	111.4	D252 E281 P282 V284	D252-K306 IonicContact OD1-NZ 3.7Å; D252-K306 PolarHBondContact OD1-NZ 3.45Å; D252-K306 WeakPolarHBondContact OD2-CE 3.42Å; D252-K306 IonicContact OD2-NZ 2.81Å; D252-K306 PolarHBondContact OD2-NZ 3.21Å; E281-K306 WeakPolarHBondContact O-CE 3.23Å; E281-K306 PolarHBondContact O-NZ 3.38Å; P282-K306 WeakPolarHBondContact O-CG 3.4Å; P282-K306 PolarHBondContact O-N 2.95Å; V284-K306 HydrophobicContact CG2-CG 3.83Å
307	E	90.4	Very high	95	Very high	176 Å²	176	37.9 Å²	37.9	82%	0.822	21%	0.209	S	C	*	.	S	Bend	trans	-130.2	114.5	174.1	-66.1	174.7	-155.6	0	0	106.9	E305	E305-E307 VanDerWaalsContact C-N 3.31Å
308	S	91.6	Very high	94.9	Very high	27 Å²	27	37.3 Å²	37.3	19%	0.189	21%	0.206	C	C	.	.			trans	-115.2	110.2	179.8	-170.5	0	0	0	0	109.5	E305 D310 G311 N312	E305-S308 WeakPolarHBondContact OE2-CB 3.46Å; E305-S308 PolarHBondContact OE2-OG 3.08Å; S308-D310 VanDerWaalsContact C-N 3.28Å; S308-D310 PolarHBondContact O-N 2.96Å; S308-G311 PolarHBondContact O-N 3.15Å; S308-N312 WeakPolarHBondContact OG-CB 3.44Å; S308-N312 PolarHBondContact OG-N 2.81Å
309	P	86.6	Confident	94.9	Very high	123 Å²	123	37.7 Å²	37.7	80%	0.799	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-36.3	-177.4	-26.8	35.9	0	0	0	113.8	G311	P309-G311 VanDerWaalsContact C-N 3.31Å
310	D	87.4	Confident	94.8	Very high	141 Å²	141	38 Å²	38	75%	0.754	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-2.9	177.9	-64.9	-60.2	0	0	0	113.7	S308	S308-D310 VanDerWaalsContact C-N 3.28Å; S308-D310 PolarHBondContact O-N 2.96Å
311	G	91.4	Very high	94.7	Very high	32 Å²	32	39.4 Å²	39.4	33%	0.33	22%	0.219	S	C	.	.			trans	71.1	32.5	-174.8	0	0	0	0	0	113.8	S308 P309 N313	S308-G311 PolarHBondContact O-N 3.15Å; P309-G311 VanDerWaalsContact C-N 3.31Å; G311-N313 PolarHBondContact O-N 2.97Å
312	N	95.1	Very high	94.6	Very high	23 Å²	23	40.7 Å²	40.7	12%	0.123	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	124.3	176.5	-62.5	-51	0	0	0	110.1	S308 S348	S308-N312 WeakPolarHBondContact OG-CB 3.44Å; S308-N312 PolarHBondContact OG-N 2.81Å; N312-S348 CarbonylContact C-O 3.58Å; N312-S348 VanDerWaalsContact CA-O 3.25Å; N312-S348 WeakPolarHBondContact CA-O 3.42Å
313	N	96.9	Very high	94.4	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.027	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-7.2	176.4	73.5	-9.8	0	0	0	113.6	G311 Y337 S340 S348	G311-N313 PolarHBondContact O-N 2.97Å; N313-Y337 WeakPolarHBondContact ND2-CD1 3.29Å; N313-Y337 WeakPolarHBondContact ND2-CE1 3.4Å; N313-S340 VanDerWaalsContact CB-OG 3.26Å; N313-S340 WeakPolarHBondContact CB-OG 3.3Å; N313-S340 PolarHBondContact ND2-OG 3.04Å; N313-S348 PolarHBondContact N-O 3.35Å; N313-S348 PolarHBondContact OD1-O 2.79Å
314	V	97.6	Very high	94.1	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	127.1	173.3	172.3	0	0	0	0	108.5	F302 I317 S336 P349 E350 Y361	F302-V314 HydrophobicContact CB-CG1 4.13Å; F302-V314 HydrophobicContact CD2-CG2 3.87Å; F302-V314 HydrophobicContact CE2-CG2 4.34Å; F302-V314 HydrophobicContact CG-CG2 4.26Å; V314-I317 HydrophobicContact CG1-CB 3.81Å; V314-I317 HydrophobicContact CG1-CG2 4.01Å; V314-S336 WeakPolarHBondContact CG2-OG 3.43Å; V314-P349 HydrophobicContact CB-CB 4.35Å; V314-P349 WeakPolarHBondContact O-CA 3.42Å; V314-E350 WeakPolarHBondContact O-CB 3.43Å; V314-E350 PolarHBondContact O-N 3.02Å; V314-Y361 WeakPolarHBondContact CG2-OH 3.33Å
315	A	92.8	Very high	93.6	Very high	14 Å²	14	54.2 Å²	54.2	12%	0.116	28%	0.28	C	S	.	.	S	Bend	trans	-89.1	-81.6	169.4	0	0	0	0	0	110	F283 S303 E350	F283-A315 HydrophobicContact CD1-CB 4.46Å; F283-A315 HydrophobicContact CE1-CB 3.99Å; S303-A315 PolarHBondContact O-N 3.11Å; A315-E350 WeakPolarHBondContact CA-OE2 3.33Å; A315-E350 WeakPolarHBondContact CB-OE2 3.41Å
316	C	94.8	Very high	93.3	Very high	22 Å²	22	58 Å²	58	15%	0.149	29%	0.292	C	S	.	.			trans	-96	145.6	170.6	-64.9	0	0	0	0	111.3	L271 K274 F302 S303	L271-C316 HydrophobicContact CD1-CB 4.28Å; K274-C316 PolarHBondContact NZ-SG 2.99Å; F302-C316 CarbonylContact C-O 3.6Å; F302-C316 WeakPolarHBondContact CA-O 3.15Å; F302-C316 VanDerWaalsContact CB-O 3.31Å; F302-C316 WeakPolarHBondContact CB-O 3.45Å; S303-C316 PolarHBondContact N-O 3.04Å; S303-C316 WeakPolarHBondContact OG-CB 3.44Å; S303-C316 PolarHBondContact OG-N 3.36Å
317	I	96.8	Very high	93.1	Very high	32 Å²	32	54.5 Å²	54.5	16%	0.164	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	133.8	170.3	-179.3	166.8	0	0	0	111	F302 V314 L332 I333 Y361	F302-I317 HydrophobicContact CB-CB 3.95Å; F302-I317 HydrophobicContact CB-CD1 4.41Å; F302-I317 HydrophobicContact CB-CG1 4.06Å; V314-I317 HydrophobicContact CG1-CB 3.81Å; V314-I317 HydrophobicContact CG1-CG2 4.01Å; I317-L332 HydrophobicContact CD1-CB 3.72Å; I317-L332 HydrophobicContact CG1-CB 4.31Å; I317-L332 HydrophobicContact CG1-CD1 4.29Å; I317-I333 HydrophobicContact CD1-CG1 3.66Å; I317-Y361 HydrophobicContact CG2-CE2 4.32Å
318	L	96.8	Very high	93.2	Very high	12 Å²	12	47.1 Å²	47.1	6%	0.063	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	140.3	-177.6	-179.1	61.9	0	0	0	111.8	A267 F270 G300 Y301 L320 L332	A267-L318 HydrophobicContact CB-CD2 3.91Å; F270-L318 HydrophobicContact CB-CD1 3.8Å; F270-L318 HydrophobicContact CB-CD2 4.23Å; F270-L318 HydrophobicContact CD2-CD2 4.13Å; G300-L318 CarbonylContact C-O 3.56Å; G300-L318 WeakPolarHBondContact CA-O 3.42Å; Y301-L318 HydrophobicContact CD1-CB 4.09Å; Y301-L318 HydrophobicContact CE1-CB 3.84Å; Y301-L318 HydrophobicContact CE1-CD2 4.29Å; Y301-L318 PolarHBondContact N-O 2.86Å; Y301-L318 PolarHBondContact O-N 3.26Å; L318-L320 HydrophobicContact CD2-CD2 4.25Å; L318-L332 WeakPolarHBondContact O-CD1 3.42Å
319	T	97.4	Very high	93.2	Very high	16 Å²	16	46.7 Å²	46.7	10%	0.098	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.3	158.6	-59.2	0	0	0	0	107.2	Q324 G329	T319-Q324 HydrophobicContact CG2-CG 4.14Å; T319-Q324 WeakPolarHBondContact O-CG 3.29Å; T319-Q324 PolarHBondContact O-NE2 3.08Å; T319-G329 PolarHBondContact OG1-N 3.37Å
320	L	97	Very high	93.4	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.037	22%	0.215	C	C	.	.			trans	-62	141.8	-177.3	-69.3	172.9	0	0	0	110.3	L266 F270 I298 V299 L318 P322 Y323 Q324	L266-L320 HydrophobicContact CD1-CD2 4.25Å; L266-L320 HydrophobicContact CD2-CD2 4.34Å; L266-L320 HydrophobicContact CG-CD2 4.29Å; F270-L320 HydrophobicContact CD2-CD2 4.27Å; F270-L320 HydrophobicContact CE2-CD2 4.09Å; I298-L320 HydrophobicContact CG1-CD1 4.3Å; I298-L320 HydrophobicContact CG2-CD1 3.96Å; V299-L320 PolarHBondContact O-N 2.93Å; L318-L320 HydrophobicContact CD2-CD2 4.25Å; L320-P322 VanDerWaalsContact C-CD 3.44Å; L320-P322 VanDerWaalsContact O-N 3.12Å; L320-Y323 HydrophobicContact CB-CD2 4.12Å; L320-Y323 PolarHBondContact O-N 3.07Å; L320-Q324 PolarHBondContact O-N 2.69Å
321	P	95.7	Very high	93.7	Very high	29 Å²	29	36 Å²	36	19%	0.188	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-48.8	-42.2	-167.9	-30.5	36	0	0	0	116.9	I189 W192 F270 Y323 Q324	I189-P321 HydrophobicContact CG2-CB 3.92Å; I189-P321 HydrophobicContact CG2-CG 3.71Å; W192-P321 HydrophobicContact CZ2-CB 4.24Å; W192-P321 HydrophobicContact CZ2-CG 3.96Å; F270-P321 HydrophobicContact CD1-CG 3.67Å; F270-P321 HydrophobicContact CE1-CG 3.6Å; F270-P321 HydrophobicContact CG-CG 4.27Å; F270-P321 HydrophobicContact CZ-CG 4.14Å; P321-Y323 PolarHBondContact O-N 3.38Å; P321-Y323 VanDerWaalsContact O-N 3.14Å; P321-Q324 PolarHBondContact O-N 3.01Å
322	P	95.7	Very high	94	Very high	29 Å²	29	34.6 Å²	34.6	19%	0.188	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-57.8	-29.8	178	-26.3	35.8	0	0	0	114.3	Y187 I189 L320 R326	Y187-P322 HydrophobicContact CD1-CB 3.93Å; Y187-P322 HydrophobicContact CD1-CG 3.88Å; Y187-P322 HydrophobicContact CD2-CB 4.27Å; Y187-P322 HydrophobicContact CD2-CG 4.14Å; Y187-P322 HydrophobicContact CE1-CB 3.88Å; Y187-P322 HydrophobicContact CE1-CG 4.35Å; Y187-P322 HydrophobicContact CE2-CB 4.21Å; Y187-P322 HydrophobicContact CG-CB 4.14Å; Y187-P322 HydrophobicContact CG-CG 3.78Å; I189-P322 HydrophobicContact CD1-CG 3.75Å; I189-P322 HydrophobicContact CG1-CG 3.91Å; L320-P322 VanDerWaalsContact C-CD 3.44Å; L320-P322 VanDerWaalsContact O-N 3.12Å; P322-R326 PolarHBondContact O-NE 3.13Å; P322-R326 PolarHBondContact O-NH2 3.43Å
323	Y	95.3	Very high	94	Very high	23 Å²	23	33.6 Å²	33.6	9%	0.09	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-96.8	-5.1	-175.9	-55.9	-86.4	0	0	0	113.5	Y187 V299 L320 P321 R326 Y328	Y187-Y323 HydrophobicContact CE2-CE2 4.23Å; Y187-Y323 AromaticContact CE2-CZ 3.94Å; V299-Y323 HydrophobicContact CB-CD1 4.47Å; V299-Y323 HydrophobicContact CB-CG 4.38Å; V299-Y323 HydrophobicContact CG1-CD1 4.07Å; V299-Y323 HydrophobicContact CG1-CD2 4.41Å; V299-Y323 HydrophobicContact CG1-CG 3.88Å; V299-Y323 HydrophobicContact CG2-CD1 3.97Å; V299-Y323 HydrophobicContact CG2-CE1 3.87Å; V299-Y323 HydrophobicContact CG2-CE2 4.49Å; V299-Y323 HydrophobicContact CG2-CG 4.35Å; L320-Y323 HydrophobicContact CB-CD2 4.12Å; L320-Y323 PolarHBondContact O-N 3.07Å; P321-Y323 PolarHBondContact O-N 3.38Å; P321-Y323 VanDerWaalsContact O-N 3.14Å; Y323-R326 WeakPolarHBondContact O-CB 3.36Å; Y323-R326 WeakPolarHBondContact O-CG 3.35Å; Y323-R326 PolarHBondContact O-N 3.04Å; Y323-Y328 HydrophobicContact CD1-CE2 4.14Å; Y323-Y328 WeakPolarHBondContact O-CD2 3.25Å
324	Q	91.4	Very high	93.9	Very high	40 Å²	40	34.1 Å²	34.1	19%	0.187	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	155.8	-179.8	-69.9	-177.7	13.1	0	0	112.1	T319 L320 P321 R326	T319-Q324 HydrophobicContact CG2-CG 4.14Å; T319-Q324 WeakPolarHBondContact O-CG 3.29Å; T319-Q324 PolarHBondContact O-NE2 3.08Å; L320-Q324 PolarHBondContact O-N 2.69Å; P321-Q324 PolarHBondContact O-N 3.01Å; Q324-R326 PolarHBondContact O-N 3.48Å
325	R	87.2	Confident	93.9	Very high	251 Å²	251	34.6 Å²	34.6	95%	0.947	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.3	-6.9	-175.5	-52.9	-179.7	-179.1	-178.3	0.1	116.2	G327	R325-G327 VanDerWaalsContact C-N 3.31Å; R325-G327 PolarHBondContact O-N 2.89Å
326	R	88.9	Confident	94.1	Very high	128 Å²	128	34 Å²	34	48%	0.483	16%	0.161	S	C	.	.	S	Bend	trans	-77.9	-8.4	176.8	-54.8	-176.5	-167.2	-154	4.5	114.9	P322 Y323 Q324 Y328	P322-R326 PolarHBondContact O-NE 3.13Å; P322-R326 PolarHBondContact O-NH2 3.43Å; Y323-R326 WeakPolarHBondContact O-CB 3.36Å; Y323-R326 WeakPolarHBondContact O-CG 3.35Å; Y323-R326 PolarHBondContact O-N 3.04Å; Q324-R326 PolarHBondContact O-N 3.48Å; R326-Y328 HydrophobicContact CB-CD2 3.89Å; R326-Y328 HydrophobicContact CB-CE2 3.65Å; R326-Y328 HydrophobicContact CG-CE2 4.44Å
327	G	88.4	Confident	94.2	Very high	13 Å²	13	32.9 Å²	32.9	13%	0.134	15%	0.154	C	C	.	.	S	Bend	trans	113	-15.2	175.6	0	0	0	0	0	115.5	R325 G329 K330 F331	R325-G327 VanDerWaalsContact C-N 3.31Å; R325-G327 PolarHBondContact O-N 2.89Å; G327-G329 VanDerWaalsContact C-N 3.28Å; G327-G329 PolarHBondContact O-N 3.22Å; G327-K330 PolarHBondContact O-N 3.05Å; G327-F331 PolarHBondContact O-N 2.88Å; G327-F331 VanDerWaalsContact O-N 3.13Å
328	Y	93.2	Very high	94.1	Very high	21 Å²	21	32.2 Å²	32.2	8%	0.082	15%	0.15	C	C	.	.	H	α-helix	trans	-55.7	-36.9	-179.1	-57.9	-69.1	0	0	0	114	I246 L288 E290 V299 Y323 R326 K330 F331 L332 I436	I246-Y328 HydrophobicContact CD1-CE1 4.01Å; L288-Y328 HydrophobicContact CD2-CD1 4Å; L288-Y328 HydrophobicContact CD2-CG 4.34Å; E290-Y328 HydrophobicContact CG-CE1 4.39Å; E290-Y328 PolarHBondContact OE1-OH 2.82Å; V299-Y328 HydrophobicContact CG1-CD1 3.73Å; V299-Y328 HydrophobicContact CG1-CD2 3.59Å; V299-Y328 HydrophobicContact CG1-CE1 4.18Å; V299-Y328 HydrophobicContact CG1-CE2 4.06Å; V299-Y328 HydrophobicContact CG1-CG 3.41Å; V299-Y328 VanDerWaalsContact CG1-CG 3.41Å; Y323-Y328 HydrophobicContact CD1-CE2 4.14Å; Y323-Y328 WeakPolarHBondContact O-CD2 3.25Å; R326-Y328 HydrophobicContact CB-CD2 3.89Å; R326-Y328 HydrophobicContact CB-CE2 3.65Å; R326-Y328 HydrophobicContact CG-CE2 4.44Å; Y328-K330 PolarHBondContact O-N 3.28Å; Y328-F331 CarbonylContact O-C 3.47Å; Y328-F331 WeakPolarHBondContact O-CA 3.14Å; Y328-F331 WeakPolarHBondContact O-CB 3.48Å; Y328-F331 PolarHBondContact O-N 2.95Å; Y328-L332 WeakPolarHBondContact O-CG 3.5Å; Y328-L332 PolarHBondContact O-N 3.2Å; Y328-I436 HydrophobicContact CD1-CD1 3.27Å; Y328-I436 HydrophobicContact CE1-CD1 3.13Å; Y328-I436 HydrophobicContact CE2-CD1 4.43Å; Y328-I436 HydrophobicContact CG-CD1 4.01Å
329	G	91.9	Very high	94.1	Very high	19 Å²	19	32.7 Å²	32.7	20%	0.196	15%	0.153	C	C	.	.	H	α-helix	trans	-59.1	-40.4	172.8	0	0	0	0	0	113.6	T319 G327 F331 I333	T319-G329 PolarHBondContact OG1-N 3.37Å; G327-G329 VanDerWaalsContact C-N 3.28Å; G327-G329 PolarHBondContact O-N 3.22Å; G329-F331 VanDerWaalsContact C-N 3.32Å; G329-I333 VanDerWaalsContact O-CG1 3.27Å; G329-I333 WeakPolarHBondContact O-CG1 3.42Å; G329-I333 PolarHBondContact O-N 3.16Å; G329-I333 VanDerWaalsContact O-N 3.13Å
330	K	90.5	Very high	94	Very high	34 Å²	34	31.9 Å²	31.9	15%	0.148	15%	0.148	C	C	.	.	H	α-helix	trans	-69.5	-29.9	172.6	-73.7	-159.3	179.9	-165.4	0	112.2	G327 Y328 A334 S363 P434	G327-K330 PolarHBondContact O-N 3.05Å; Y328-K330 PolarHBondContact O-N 3.28Å; K330-A334 VanDerWaalsContact O-CB 3.31Å; K330-A334 WeakPolarHBondContact O-CB 3.38Å; K330-A334 PolarHBondContact O-N 3.44Å; K330-S363 VanDerWaalsContact CE-OG 3.24Å; K330-S363 WeakPolarHBondContact CE-OG 3.16Å; K330-S363 PolarHBondContact NZ-O 2.89Å; K330-S363 PolarHBondContact NZ-OG 3.46Å; K330-P434 HydrophobicContact CB-CB 4.35Å; K330-P434 HydrophobicContact CB-CG 4.44Å; K330-P434 HydrophobicContact CD-CB 4.39Å; K330-P434 HydrophobicContact CD-CG 4.04Å
331	F	93.7	Very high	93.9	Very high	5 Å²	5	33 Å²	33	2%	0.022	15%	0.152	C	C	.	.	H	α-helix	trans	-69.7	-45.6	174.6	-179.8	-84.8	0	0	0	111.7	Y241 I246 V248 L288 G327 Y328 G329 I333 A334 F335 I436	Y241-F331 HydrophobicContact CD1-CZ 4.14Å; Y241-F331 HydrophobicContact CE1-CE2 4.22Å; Y241-F331 AromaticContact CE1-CZ 3.62Å; Y241-F331 HydrophobicContact CE1-CZ 3.62Å; Y241-F331 AromaticContact CZ-CZ 3.84Å; I246-F331 HydrophobicContact CG2-CE1 4.43Å; I246-F331 HydrophobicContact CG2-CZ 4.25Å; V248-F331 HydrophobicContact CG2-CE1 3.72Å; V248-F331 HydrophobicContact CG2-CZ 4.27Å; L288-F331 HydrophobicContact CD1-CD1 3.81Å; L288-F331 HydrophobicContact CD1-CE1 3.7Å; L288-F331 HydrophobicContact CD2-CD1 3.94Å; G327-F331 PolarHBondContact O-N 2.88Å; G327-F331 VanDerWaalsContact O-N 3.13Å; Y328-F331 CarbonylContact O-C 3.47Å; Y328-F331 WeakPolarHBondContact O-CA 3.14Å; Y328-F331 WeakPolarHBondContact O-CB 3.48Å; Y328-F331 PolarHBondContact O-N 2.95Å; G329-F331 VanDerWaalsContact C-N 3.32Å; F331-I333 PolarHBondContact O-N 3.3Å; F331-A334 PolarHBondContact O-N 2.95Å; F331-F335 HydrophobicContact CE1-CD2 4.17Å; F331-F335 HydrophobicContact CZ-CD2 4.2Å; F331-F335 WeakPolarHBondContact O-CB 3.43Å; F331-F335 PolarHBondContact O-N 2.92Å; F331-I436 HydrophobicContact CB-CG2 4.41Å; F331-I436 HydrophobicContact CD2-CB 4.46Å; F331-I436 HydrophobicContact CD2-CG2 3.62Å; F331-I436 HydrophobicContact CE2-CG2 4.25Å; F331-I436 HydrophobicContact CG-CG2 4.22Å
332	L	96.6	Very high	93.7	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-57.9	-47.4	175.3	-71.8	165.6	0	0	0	111.4	L288 F302 I317 L318 Y328 F335 S336	L288-L332 HydrophobicContact CB-CD2 3.68Å; L288-L332 HydrophobicContact CB-CG 4.47Å; L288-L332 HydrophobicContact CD2-CD1 4.32Å; L288-L332 HydrophobicContact CD2-CD2 3.89Å; L288-L332 HydrophobicContact CD2-CG 3.78Å; L288-L332 HydrophobicContact CG-CD2 4.44Å; F302-L332 HydrophobicContact CD1-CB 4.36Å; F302-L332 HydrophobicContact CD1-CD2 4.01Å; I317-L332 HydrophobicContact CD1-CB 3.72Å; I317-L332 HydrophobicContact CG1-CB 4.31Å; I317-L332 HydrophobicContact CG1-CD1 4.29Å; L318-L332 WeakPolarHBondContact O-CD1 3.42Å; Y328-L332 WeakPolarHBondContact O-CG 3.5Å; Y328-L332 PolarHBondContact O-N 3.2Å; L332-F335 PolarHBondContact O-N 3.34Å; L332-S336 PolarHBondContact O-N 2.62Å; L332-S336 VanDerWaalsContact O-N 3.08Å
333	I	96.3	Very high	93.7	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-62.3	-42.6	175.7	-65.5	169.2	0	0	0	111.3	I317 G329 F331 F335 S336 Y337 Y361 Y364	I317-I333 HydrophobicContact CD1-CG1 3.66Å; G329-I333 VanDerWaalsContact O-CG1 3.27Å; G329-I333 WeakPolarHBondContact O-CG1 3.42Å; G329-I333 PolarHBondContact O-N 3.16Å; G329-I333 VanDerWaalsContact O-N 3.13Å; F331-I333 PolarHBondContact O-N 3.3Å; I333-F335 VanDerWaalsContact C-N 3.3Å; I333-F335 PolarHBondContact O-N 2.67Å; I333-S336 PolarHBondContact O-OG 3.07Å; I333-S336 VanDerWaalsContact O-OG 3.07Å; I333-Y337 HydrophobicContact CG2-CD2 4.15Å; I333-Y337 HydrophobicContact CG2-CE2 4.14Å; I333-Y337 VanDerWaalsContact O-CD2 3.3Å; I333-Y337 WeakPolarHBondContact O-CD2 3.31Å; I333-Y337 PolarHBondContact O-N 2.69Å; I333-Y361 HydrophobicContact CB-CE1 4.3Å; I333-Y361 HydrophobicContact CD1-CD1 4.17Å; I333-Y361 HydrophobicContact CD1-CD2 3.96Å; I333-Y361 HydrophobicContact CD1-CE1 4.22Å; I333-Y361 HydrophobicContact CD1-CE2 4.02Å; I333-Y361 HydrophobicContact CD1-CG 4.03Å; I333-Y361 HydrophobicContact CG1-CD1 4.32Å; I333-Y361 HydrophobicContact CG1-CD2 4.48Å; I333-Y361 HydrophobicContact CG1-CE1 3.89Å; I333-Y361 HydrophobicContact CG1-CE2 4.08Å; I333-Y361 HydrophobicContact CG2-CD1 3.74Å; I333-Y361 HydrophobicContact CG2-CE1 3.55Å; I333-Y364 HydrophobicContact CB-CG 4.42Å; I333-Y364 HydrophobicContact CG2-CD1 3.41Å; I333-Y364 VanDerWaalsContact CG2-CD1 3.41Å; I333-Y364 HydrophobicContact CG2-CD2 4.05Å; I333-Y364 HydrophobicContact CG2-CE1 3.88Å; I333-Y364 HydrophobicContact CG2-CE2 4.44Å; I333-Y364 HydrophobicContact CG2-CG 3.51Å
334	A	94.8	Very high	93.7	Very high	16 Å²	16	44.8 Å²	44.8	13%	0.132	22%	0.219	C	C	.	.	H	α-helix	trans	-60.5	-43.8	175.1	0	0	0	0	0	111.2	K330 F331 Y337 E338 Y364	K330-A334 VanDerWaalsContact O-CB 3.31Å; K330-A334 WeakPolarHBondContact O-CB 3.38Å; K330-A334 PolarHBondContact O-N 3.44Å; F331-A334 PolarHBondContact O-N 2.95Å; A334-Y337 PolarHBondContact O-N 2.94Å; A334-E338 WeakPolarHBondContact O-CG 3.46Å; A334-E338 PolarHBondContact O-N 3.19Å; A334-Y364 HydrophobicContact CB-CD2 4.48Å; A334-Y364 HydrophobicContact CB-CE2 3.68Å
335	F	96.3	Very high	93.9	Very high	11 Å²	11	46 Å²	46	5%	0.048	23%	0.229	C	C	.	.	H	α-helix	trans	-63.2	-43.2	-177	-162.3	-87.8	0	0	0	112.7	I240 Y241 V248 Y286 F302 F331 L332 I333 Y337 E338 L339	I240-F335 HydrophobicContact CD1-CE1 3.78Å; I240-F335 HydrophobicContact CD1-CZ 3.66Å; I240-F335 HydrophobicContact CG1-CZ 4.13Å; Y241-F335 HydrophobicContact CD2-CE2 4.09Å; Y241-F335 AromaticContact CG-CE2 3.84Å; Y241-F335 HydrophobicContact CG-CE2 3.84Å; V248-F335 HydrophobicContact CB-CE1 4.36Å; V248-F335 HydrophobicContact CB-CE2 4.12Å; V248-F335 HydrophobicContact CB-CZ 3.93Å; V248-F335 HydrophobicContact CG1-CD1 4.32Å; V248-F335 HydrophobicContact CG1-CE1 3.85Å; V248-F335 HydrophobicContact CG1-CE2 4.46Å; V248-F335 HydrophobicContact CG1-CZ 3.92Å; V248-F335 HydrophobicContact CG2-CD2 4.04Å; V248-F335 HydrophobicContact CG2-CE2 3.86Å; V248-F335 HydrophobicContact CG2-CG 4.49Å; V248-F335 HydrophobicContact CG2-CZ 4.15Å; Y286-F335 HydrophobicContact CD1-CE1 4.13Å; F302-F335 HydrophobicContact CE1-CB 4.32Å; F302-F335 AromaticContact CE1-CD1 3.93Å; F302-F335 HydrophobicContact CE1-CD1 3.93Å; F302-F335 HydrophobicContact CZ-CD1 4.05Å; F331-F335 HydrophobicContact CE1-CD2 4.17Å; F331-F335 HydrophobicContact CZ-CD2 4.2Å; F331-F335 WeakPolarHBondContact O-CB 3.43Å; F331-F335 PolarHBondContact O-N 2.92Å; L332-F335 PolarHBondContact O-N 3.34Å; I333-F335 VanDerWaalsContact C-N 3.3Å; I333-F335 PolarHBondContact O-N 2.67Å; F335-Y337 VanDerWaalsContact C-N 3.28Å; F335-Y337 PolarHBondContact O-N 2.68Å; F335-E338 PolarHBondContact O-N 2.83Å; F335-E338 VanDerWaalsContact O-N 3.14Å; F335-L339 HydrophobicContact CD1-CD1 4.19Å; F335-L339 HydrophobicContact CD1-CG 4.21Å; F335-L339 HydrophobicContact CE1-CD1 4.11Å; F335-L339 HydrophobicContact CE1-CD2 4.04Å; F335-L339 HydrophobicContact CE1-CG 4.09Å; F335-L339 PolarHBondContact O-N 2.86Å
336	S	97.6	Very high	94.3	Very high	1 Å²	1	37 Å²	37	1%	0.007	20%	0.202	C	C	.	.	H	α-helix	trans	-62.4	-35.1	176.3	63.9	0	0	0	0	112.7	V314 L332 I333 L339 S340	V314-S336 WeakPolarHBondContact CG2-OG 3.43Å; L332-S336 PolarHBondContact O-N 2.62Å; L332-S336 VanDerWaalsContact O-N 3.08Å; I333-S336 PolarHBondContact O-OG 3.07Å; I333-S336 VanDerWaalsContact O-OG 3.07Å; S336-L339 PolarHBondContact O-N 2.93Å; S336-S340 PolarHBondContact O-N 3.4Å; S336-S340 VanDerWaalsContact O-N 3.1Å; S336-S340 PolarHBondContact O-OG 2.84Å
337	Y	97.3	Very high	94.7	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-71.5	-32.8	172.7	-80.5	-64.4	0	0	0	113.9	N313 I333 A334 F335 L339 S340 K341 G347 Y361 Y364 W365 S390 I391	N313-Y337 WeakPolarHBondContact ND2-CD1 3.29Å; N313-Y337 WeakPolarHBondContact ND2-CE1 3.4Å; I333-Y337 HydrophobicContact CG2-CD2 4.15Å; I333-Y337 HydrophobicContact CG2-CE2 4.14Å; I333-Y337 VanDerWaalsContact O-CD2 3.3Å; I333-Y337 WeakPolarHBondContact O-CD2 3.31Å; I333-Y337 PolarHBondContact O-N 2.69Å; A334-Y337 PolarHBondContact O-N 2.94Å; F335-Y337 VanDerWaalsContact C-N 3.28Å; F335-Y337 PolarHBondContact O-N 2.68Å; Y337-L339 VanDerWaalsContact C-N 3.33Å; Y337-S340 PolarHBondContact O-N 3.24Å; Y337-K341 WeakPolarHBondContact O-CG 3.42Å; Y337-K341 PolarHBondContact O-N 3.11Å; Y337-K341 VanDerWaalsContact O-N 3.08Å; Y337-G347 VanDerWaalsContact CE1-O 3.25Å; Y337-G347 WeakPolarHBondContact CE1-O 3.38Å; Y337-G347 PolarHBondContact OH-O 2.98Å; Y337-G347 VanDerWaalsContact OH-O 3.07Å; Y337-Y361 HydrophobicContact CE2-CD1 4.49Å; Y337-Y361 HydrophobicContact CE2-CE1 4.2Å; Y337-Y364 HydrophobicContact CD2-CD1 4.22Å; Y337-Y364 AromaticContact CD2-CE1 3.37Å; Y337-Y364 HydrophobicContact CD2-CE1 3.37Å; Y337-Y364 AromaticContact CD2-CZ 3.89Å; Y337-Y364 HydrophobicContact CE2-CD1 4.24Å; Y337-Y364 AromaticContact CE2-CE1 3.75Å; Y337-Y364 HydrophobicContact CE2-CE1 3.75Å; Y337-Y364 HydrophobicContact CG-CE1 4.24Å; Y337-W365 AromaticContact CE2-NE1 3.53Å; Y337-W365 AromaticContact CZ-NE1 3.55Å; Y337-W365 PolarHBondContact OH-NE1 3.44Å; Y337-S390 WeakPolarHBondContact CE1-O 3.34Å; Y337-I391 HydrophobicContact CD1-CG1 4.1Å; Y337-I391 HydrophobicContact CE1-CB 4.25Å; Y337-I391 HydrophobicContact CE1-CG1 3.79Å; Y337-I391 HydrophobicContact CE2-CG1 4.35Å
338	E	95.3	Very high	95.1	Very high	18 Å²	18	30.8 Å²	30.8	8%	0.084	18%	0.176	C	C	.	.	H	α-helix	trans	-67.7	-33.2	171.9	-57	-55.8	147.5	0	0	112.1	A334 F335 K341 L342 W440	A334-E338 WeakPolarHBondContact O-CG 3.46Å; A334-E338 PolarHBondContact O-N 3.19Å; F335-E338 PolarHBondContact O-N 2.83Å; F335-E338 VanDerWaalsContact O-N 3.14Å; E338-K341 PolarHBondContact O-N 2.97Å; E338-K341 IonicContact OE1-NZ 3.09Å; E338-K341 PolarHBondContact OE1-NZ 2.95Å; E338-K341 VanDerWaalsContact OE2-CD 3.27Å; E338-K341 WeakPolarHBondContact OE2-CD 3.26Å; E338-K341 IonicContact OE2-NZ 2.77Å; E338-K341 PolarHBondContact OE2-NZ 3.11Å; E338-L342 WeakPolarHBondContact O-CG 3.41Å; E338-L342 PolarHBondContact O-N 3.26Å; E338-W440 HydrophobicContact CB-CE3 4.27Å; E338-W440 HydrophobicContact CB-CH2 3.85Å; E338-W440 HydrophobicContact CB-CZ2 4.21Å; E338-W440 HydrophobicContact CB-CZ3 3.88Å; E338-W440 VanDerWaalsContact CD-CE3 3.45Å; E338-W440 HydrophobicContact CG-CD2 3.59Å; E338-W440 HydrophobicContact CG-CE3 3.58Å; E338-W440 HydrophobicContact CG-CG 4.13Å; E338-W440 HydrophobicContact CG-CH2 3.9Å; E338-W440 HydrophobicContact CG-CZ2 3.94Å; E338-W440 HydrophobicContact CG-CZ3 3.73Å
339	L	94.8	Very high	95.2	Very high	21 Å²	21	29.8 Å²	29.8	11%	0.11	17%	0.172	C	C	.	.	H	α-helix	trans	-62.9	-48.6	169.6	-62.6	177.5	0	0	0	111.4	Y286 F302 F335 S336 Y337 K341 L342 E343	Y286-L339 HydrophobicContact CD1-CD1 3.97Å; Y286-L339 HydrophobicContact CD2-CD1 4.25Å; Y286-L339 HydrophobicContact CE1-CD1 3.53Å; Y286-L339 HydrophobicContact CE1-CD2 4.45Å; Y286-L339 HydrophobicContact CE2-CD1 3.84Å; Y286-L339 HydrophobicContact CG-CD1 4.3Å; Y286-L339 VanDerWaalsContact CZ-CD1 3.45Å; F302-L339 HydrophobicContact CE2-CD1 4.28Å; F302-L339 HydrophobicContact CZ-CD1 3.81Å; F335-L339 HydrophobicContact CD1-CD1 4.19Å; F335-L339 HydrophobicContact CD1-CG 4.21Å; F335-L339 HydrophobicContact CE1-CD1 4.11Å; F335-L339 HydrophobicContact CE1-CD2 4.04Å; F335-L339 HydrophobicContact CE1-CG 4.09Å; F335-L339 PolarHBondContact O-N 2.86Å; S336-L339 PolarHBondContact O-N 2.93Å; Y337-L339 VanDerWaalsContact C-N 3.33Å; L339-K341 PolarHBondContact O-N 3.11Å; L339-L342 WeakPolarHBondContact O-CB 3.36Å; L339-L342 PolarHBondContact O-N 3.44Å; L339-E343 WeakPolarHBondContact O-CG 3.28Å; L339-E343 PolarHBondContact O-N 3.44Å
340	S	96.2	Very high	95.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.6	-33.1	177.8	-60	0	0	0	0	113.3	N313 S336 Y337 E343 S344 T345	N313-S340 VanDerWaalsContact CB-OG 3.26Å; N313-S340 WeakPolarHBondContact CB-OG 3.3Å; N313-S340 PolarHBondContact ND2-OG 3.04Å; S336-S340 PolarHBondContact O-N 3.4Å; S336-S340 VanDerWaalsContact O-N 3.1Å; S336-S340 PolarHBondContact O-OG 2.84Å; Y337-S340 PolarHBondContact O-N 3.24Å; S340-E343 CarbonylContact O-C 3.52Å; S340-E343 PolarHBondContact O-N 3.32Å; S340-S344 PolarHBondContact O-N 3.41Å; S340-S344 VanDerWaalsContact O-N 3.13Å; S340-T345 PolarHBondContact O-N 2.97Å
341	K	94.8	Very high	94.8	Very high	30 Å²	30	37.2 Å²	37.2	13%	0.13	20%	0.2	C	C	.	.	H	α-helix	trans	-68.6	-40.9	174	-69.5	165.9	-173.6	172	0	112.5	Y337 E338 L339 E343 S344 T389 S390 W449	Y337-K341 WeakPolarHBondContact O-CG 3.42Å; Y337-K341 PolarHBondContact O-N 3.11Å; Y337-K341 VanDerWaalsContact O-N 3.08Å; E338-K341 PolarHBondContact O-N 2.97Å; E338-K341 IonicContact OE1-NZ 3.09Å; E338-K341 PolarHBondContact OE1-NZ 2.95Å; E338-K341 VanDerWaalsContact OE2-CD 3.27Å; E338-K341 WeakPolarHBondContact OE2-CD 3.26Å; E338-K341 IonicContact OE2-NZ 2.77Å; E338-K341 PolarHBondContact OE2-NZ 3.11Å; L339-K341 PolarHBondContact O-N 3.11Å; K341-E343 VanDerWaalsContact C-N 3.29Å; K341-S344 PolarHBondContact O-N 3.03Å; K341-T389 WeakPolarHBondContact CE-O 3.44Å; K341-S390 WeakPolarHBondContact CA-OG 3.27Å; K341-S390 VanDerWaalsContact CG-OG 3.29Å; K341-S390 WeakPolarHBondContact CG-OG 3.32Å; K341-S390 PolarHBondContact N-OG 3.49Å; K341-W449 HydrophobicContact CD-CZ3 4.27Å
342	L	92.6	Very high	94.4	Very high	123 Å²	123	41.1 Å²	41.1	64%	0.644	23%	0.226	S	C	*	.	H	α-helix	trans	-64.2	-37.6	175.1	-68.3	169.5	0	0	0	111.3	E338 L339 S344	E338-L342 WeakPolarHBondContact O-CG 3.41Å; E338-L342 PolarHBondContact O-N 3.26Å; L339-L342 WeakPolarHBondContact O-CB 3.36Å; L339-L342 PolarHBondContact O-N 3.44Å; L342-S344 PolarHBondContact O-N 3.12Å
343	E	94.1	Very high	93.7	Very high	91 Å²	91	42.5 Å²	42.5	43%	0.425	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-4.5	172.7	-65.6	166.6	162.7	0	0	113.3	K304 L339 S340 K341 T345	K304-E343 IonicContact NZ-OE1 2.7Å; K304-E343 PolarHBondContact NZ-OE1 3.39Å; K304-E343 IonicContact NZ-OE2 3.2Å; K304-E343 PolarHBondContact NZ-OE2 2.95Å; L339-E343 WeakPolarHBondContact O-CG 3.28Å; L339-E343 PolarHBondContact O-N 3.44Å; S340-E343 CarbonylContact O-C 3.52Å; S340-E343 PolarHBondContact O-N 3.32Å; K341-E343 VanDerWaalsContact C-N 3.29Å; E343-T345 HydrophobicContact CB-CG2 3.91Å; E343-T345 PolarHBondContact O-N 3.33Å
344	S	95.6	Very high	93.1	Very high	115 Å²	115	45.3 Å²	45.3	80%	0.804	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	27	-174.6	-57.9	0	0	0	0	114.6	S340 K341 L342	S340-S344 PolarHBondContact O-N 3.41Å; S340-S344 VanDerWaalsContact O-N 3.13Å; K341-S344 PolarHBondContact O-N 3.03Å; L342-S344 PolarHBondContact O-N 3.12Å
345	T	95.7	Very high	92.5	Very high	65 Å²	65	48.8 Å²	48.8	40%	0.399	27%	0.27	S	S	.	.			trans	-111.9	171.1	-177.7	-163.1	0	0	0	0	112.3	S340 E343 S390	S340-T345 PolarHBondContact O-N 2.97Å; E343-T345 HydrophobicContact CB-CG2 3.91Å; E343-T345 PolarHBondContact O-N 3.33Å; T345-S390 WeakPolarHBondContact O-CB 3.38Å; T345-S390 PolarHBondContact O-OG 3.09Å
346	V	96.9	Very high	92	Very high	63 Å²	63	52.3 Å²	52.3	38%	0.382	29%	0.289	S	S	.	.			trans	-110.5	150.1	169.3	-61.6	0	0	0	0	109.5	S390	V346-S390 CarbonylContact C-O 3.47Å; V346-S390 VanDerWaalsContact CA-O 3.29Å; V346-S390 WeakPolarHBondContact CA-O 3.2Å
347	G	96.1	Very high	91.6	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.01	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-147.6	152.4	-175.9	0	0	0	0	0	114.6	Y337 S390 T392	Y337-G347 VanDerWaalsContact CE1-O 3.25Å; Y337-G347 WeakPolarHBondContact CE1-O 3.38Å; Y337-G347 PolarHBondContact OH-O 2.98Å; Y337-G347 VanDerWaalsContact OH-O 3.07Å; G347-S390 PolarHBondContact N-O 2.77Å; G347-T392 VanDerWaalsContact C-CG2 3.48Å; G347-T392 WeakPolarHBondContact O-CG2 3.46Å
348	S	96.4	Very high	91.1	Very high	8 Å²	8	55.9 Å²	55.9	6%	0.056	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	158.1	168.5	-145.6	0	0	0	0	107.9	N312 N313 K351 D395	N312-S348 CarbonylContact C-O 3.58Å; N312-S348 VanDerWaalsContact CA-O 3.25Å; N312-S348 WeakPolarHBondContact CA-O 3.42Å; N313-S348 PolarHBondContact N-O 3.35Å; N313-S348 PolarHBondContact OD1-O 2.79Å; S348-K351 PolarHBondContact OG-NZ 3.06Å; S348-D395 WeakPolarHBondContact CB-OD2 3.32Å; S348-D395 PolarHBondContact OG-OD1 2.98Å; S348-D395 PolarHBondContact OG-OD2 3.36Å
349	P	96.1	Very high	90.8	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	150.6	160.8	29.9	-34.8	0	0	0	111.4	V314 K351 L353 Y361 W365	V314-P349 HydrophobicContact CB-CB 4.35Å; V314-P349 WeakPolarHBondContact O-CA 3.42Å; P349-K351 WeakPolarHBondContact O-CE 3.43Å; P349-L353 HydrophobicContact CB-CD2 3.97Å; P349-L353 HydrophobicContact CB-CG 4.47Å; P349-L353 HydrophobicContact CG-CD1 3.85Å; P349-L353 HydrophobicContact CG-CD2 4.18Å; P349-L353 HydrophobicContact CG-CG 4.25Å; P349-Y361 HydrophobicContact CB-CE1 4.11Å; P349-Y361 HydrophobicContact CB-CE2 3.83Å; P349-Y361 HydrophobicContact CG-CD1 4Å; P349-Y361 HydrophobicContact CG-CD2 4.06Å; P349-Y361 HydrophobicContact CG-CE1 3.78Å; P349-Y361 HydrophobicContact CG-CE2 3.84Å; P349-Y361 HydrophobicContact CG-CG 4.16Å; P349-W365 HydrophobicContact CG-CZ2 4.47Å
350	E	88.8	Confident	90.6	Very high	80 Å²	80	61 Å²	61	37%	0.374	34%	0.337	S	S	.	.			trans	-52.6	151.2	167.5	-166.9	-167.9	141.9	0	0	111.3	V314 A315	V314-E350 WeakPolarHBondContact O-CB 3.43Å; V314-E350 PolarHBondContact O-N 3.02Å; A315-E350 WeakPolarHBondContact CA-OE2 3.33Å; A315-E350 WeakPolarHBondContact CB-OE2 3.41Å
351	K	86	Confident	90.5	Very high	129 Å²	129	61 Å²	61	56%	0.561	34%	0.337	S	S	*	.	S	Bend	trans	-129.6	138.7	-174	-72.2	148.7	-167	161.3	0	109.3	S348 P349	S348-K351 PolarHBondContact OG-NZ 3.06Å; P349-K351 WeakPolarHBondContact O-CE 3.43Å
352	P	84.6	Confident	90.3	Very high	87 Å²	87	64.5 Å²	64.5	57%	0.565	35%	0.349	S	S	*	.	S	Bend	cis	-84.1	130.8	12.5	31.7	-34.9	0	0	0	115
353	L	81	Confident	90.2	Very high	31 Å²	31	59.6 Å²	59.6	16%	0.162	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-68.2	143.4	167.3	-79.4	176.5	0	0	0	111.4	P349 K358 Y361	P349-L353 HydrophobicContact CB-CD2 3.97Å; P349-L353 HydrophobicContact CB-CG 4.47Å; P349-L353 HydrophobicContact CG-CD1 3.85Å; P349-L353 HydrophobicContact CG-CD2 4.18Å; P349-L353 HydrophobicContact CG-CG 4.25Å; L353-K358 HydrophobicContact CB-CG 3.79Å; L353-K358 HydrophobicContact CD1-CG 4.47Å; L353-K358 WeakPolarHBondContact O-CE 3.44Å; L353-Y361 HydrophobicContact CD1-CD2 3.76Å; L353-Y361 HydrophobicContact CD1-CE2 4.38Å; L353-Y361 HydrophobicContact CD1-CG 4.33Å; L353-Y361 HydrophobicContact CD2-CD2 4.07Å; L353-Y361 HydrophobicContact CD2-CE2 3.93Å
354	S	84.4	Confident	90.1	Very high	62 Å²	62	55.5 Å²	55.5	43%	0.434	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-65.4	157.2	162.9	69.8	0	0	0	0	111.4	L356 G357 K358	S354-L356 VanDerWaalsContact C-N 3.31Å; S354-L356 PolarHBondContact O-N 2.75Å; S354-G357 CarbonylContact O-C 3.54Å; S354-G357 VanDerWaalsContact O-CA 3.23Å; S354-G357 WeakPolarHBondContact O-CA 3.43Å; S354-G357 PolarHBondContact O-N 3.42Å; S354-G357 PolarHBondContact OG-N 2.82Å; S354-K358 PolarHBondContact O-N 3.38Å
355	D	82.2	Confident	90	Very high	89 Å²	89	50.9 Å²	50.9	48%	0.476	27%	0.271	S	S	.	.	H	α-helix	trans	-64.1	-34.8	-174.7	-55.8	-44.4	0	0	0	113.5	G357 K358 L359	D355-G357 VanDerWaalsContact C-N 3.27Å; D355-G357 PolarHBondContact O-N 2.87Å; D355-K358 PolarHBondContact O-N 3.08Å; D355-K358 IonicContact OD1-NZ 3.6Å; D355-K358 PolarHBondContact OD1-NZ 3.32Å; D355-L359 WeakPolarHBondContact O-CB 3.47Å; D355-L359 VanDerWaalsContact O-CG 3.3Å; D355-L359 WeakPolarHBondContact O-CG 3.48Å; D355-L359 PolarHBondContact O-N 3.15Å
356	L	84.8	Confident	89.8	Confident	85 Å²	85	47.9 Å²	47.9	45%	0.445	25%	0.253	S	S	.	.	H	α-helix	trans	-64.6	-34.9	171.5	-174.3	61.4	0	0	0	111.3	S354 S360	S354-L356 VanDerWaalsContact C-N 3.31Å; S354-L356 PolarHBondContact O-N 2.75Å; L356-S360 VanDerWaalsContact O-CB 3.28Å; L356-S360 WeakPolarHBondContact O-CB 3.34Å; L356-S360 PolarHBondContact O-N 3.16Å; L356-S360 VanDerWaalsContact O-N 3.08Å; L356-S360 PolarHBondContact O-OG 3.1Å
357	G	89.3	Confident	89.5	Confident	9 Å²	9	45.9 Å²	45.9	9%	0.093	24%	0.238	C	C	.	.	H	α-helix	trans	-63.2	-55.9	169.5	0	0	0	0	0	112	S354 D355 L359 S360 Y361	S354-G357 CarbonylContact O-C 3.54Å; S354-G357 VanDerWaalsContact O-CA 3.23Å; S354-G357 WeakPolarHBondContact O-CA 3.43Å; S354-G357 PolarHBondContact O-N 3.42Å; S354-G357 PolarHBondContact OG-N 2.82Å; D355-G357 VanDerWaalsContact C-N 3.27Å; D355-G357 PolarHBondContact O-N 2.87Å; G357-L359 VanDerWaalsContact C-N 3.3Å; G357-L359 PolarHBondContact O-N 2.64Å; G357-S360 PolarHBondContact O-N 2.7Å; G357-Y361 WeakPolarHBondContact O-CD2 3.49Å; G357-Y361 PolarHBondContact O-N 2.92Å
358	K	88.6	Confident	89.3	Confident	67 Å²	67	46.5 Å²	46.5	29%	0.291	24%	0.242	S	C	.	.	H	α-helix	trans	-50.1	-48.8	177.7	-64.5	173.7	-169.6	151.7	0	111.5	L353 S354 D355 R362	L353-K358 HydrophobicContact CB-CG 3.79Å; L353-K358 HydrophobicContact CD1-CG 4.47Å; L353-K358 WeakPolarHBondContact O-CE 3.44Å; S354-K358 PolarHBondContact O-N 3.38Å; D355-K358 PolarHBondContact O-N 3.08Å; D355-K358 IonicContact OD1-NZ 3.6Å; D355-K358 PolarHBondContact OD1-NZ 3.32Å; K358-R362 WeakPolarHBondContact O-CB 3.33Å; K358-R362 VanDerWaalsContact O-CG 3.28Å; K358-R362 WeakPolarHBondContact O-CG 3.41Å; K358-R362 PolarHBondContact O-N 2.99Å
359	L	87.7	Confident	89.1	Confident	113 Å²	113	46.1 Å²	46.1	59%	0.592	24%	0.239	S	C	*	.	H	α-helix	trans	-65	-39.5	178.5	-71	170.7	0	0	0	112.5	D355 G357 S363	D355-L359 WeakPolarHBondContact O-CB 3.47Å; D355-L359 VanDerWaalsContact O-CG 3.3Å; D355-L359 WeakPolarHBondContact O-CG 3.48Å; D355-L359 PolarHBondContact O-N 3.15Å; G357-L359 VanDerWaalsContact C-N 3.3Å; G357-L359 PolarHBondContact O-N 2.64Å; L359-S363 VanDerWaalsContact O-CB 3.26Å; L359-S363 WeakPolarHBondContact O-CB 3.45Å; L359-S363 PolarHBondContact O-N 3.27Å
360	S	90.8	Very high	88.9	Confident	33 Å²	33	46.1 Å²	46.1	23%	0.231	24%	0.239	C	C	.	.	H	α-helix	trans	-68.4	-47.1	179.4	-61.7	0	0	0	0	112.1	L356 G357 S363 Y364	L356-S360 VanDerWaalsContact O-CB 3.28Å; L356-S360 WeakPolarHBondContact O-CB 3.34Å; L356-S360 PolarHBondContact O-N 3.16Å; L356-S360 VanDerWaalsContact O-N 3.08Å; L356-S360 PolarHBondContact O-OG 3.1Å; G357-S360 PolarHBondContact O-N 2.7Å; S360-S363 PolarHBondContact O-N 3.03Å; S360-Y364 WeakPolarHBondContact O-CB 3.26Å; S360-Y364 PolarHBondContact O-N 2.68Å
361	Y	93.9	Very high	88.8	Confident	1 Å²	1	43 Å²	43	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-62.5	-48.4	176.2	-84.6	-79.3	0	0	0	111.6	V314 I317 I333 Y337 P349 L353 G357 S363 Y364 W365	V314-Y361 WeakPolarHBondContact CG2-OH 3.33Å; I317-Y361 HydrophobicContact CG2-CE2 4.32Å; I333-Y361 HydrophobicContact CB-CE1 4.3Å; I333-Y361 HydrophobicContact CD1-CD1 4.17Å; I333-Y361 HydrophobicContact CD1-CD2 3.96Å; I333-Y361 HydrophobicContact CD1-CE1 4.22Å; I333-Y361 HydrophobicContact CD1-CE2 4.02Å; I333-Y361 HydrophobicContact CD1-CG 4.03Å; I333-Y361 HydrophobicContact CG1-CD1 4.32Å; I333-Y361 HydrophobicContact CG1-CD2 4.48Å; I333-Y361 HydrophobicContact CG1-CE1 3.89Å; I333-Y361 HydrophobicContact CG1-CE2 4.08Å; I333-Y361 HydrophobicContact CG2-CD1 3.74Å; I333-Y361 HydrophobicContact CG2-CE1 3.55Å; Y337-Y361 HydrophobicContact CE2-CD1 4.49Å; Y337-Y361 HydrophobicContact CE2-CE1 4.2Å; P349-Y361 HydrophobicContact CB-CE1 4.11Å; P349-Y361 HydrophobicContact CB-CE2 3.83Å; P349-Y361 HydrophobicContact CG-CD1 4Å; P349-Y361 HydrophobicContact CG-CD2 4.06Å; P349-Y361 HydrophobicContact CG-CE1 3.78Å; P349-Y361 HydrophobicContact CG-CE2 3.84Å; P349-Y361 HydrophobicContact CG-CG 4.16Å; L353-Y361 HydrophobicContact CD1-CD2 3.76Å; L353-Y361 HydrophobicContact CD1-CE2 4.38Å; L353-Y361 HydrophobicContact CD1-CG 4.33Å; L353-Y361 HydrophobicContact CD2-CD2 4.07Å; L353-Y361 HydrophobicContact CD2-CE2 3.93Å; G357-Y361 WeakPolarHBondContact O-CD2 3.49Å; G357-Y361 PolarHBondContact O-N 2.92Å; Y361-S363 VanDerWaalsContact C-N 3.32Å; Y361-S363 PolarHBondContact O-N 3.19Å; Y361-Y364 PolarHBondContact O-N 2.64Å; Y361-W365 AromaticContact CD1-CE2 3.89Å; Y361-W365 AromaticContact CD1-CZ2 3.77Å; Y361-W365 HydrophobicContact CD1-CZ2 3.77Å; Y361-W365 HydrophobicContact CG-CZ2 4.23Å; Y361-W365 PolarHBondContact O-N 3.14Å
362	R	91.2	Very high	89	Confident	102 Å²	102	37 Å²	37	39%	0.385	20%	0.199	S	C	.	.	H	α-helix	trans	-58.9	-40.2	176.3	-71.9	177.6	69.4	173.2	4.3	112.9	K358 Y364 S366	K358-R362 WeakPolarHBondContact O-CB 3.33Å; K358-R362 VanDerWaalsContact O-CG 3.28Å; K358-R362 WeakPolarHBondContact O-CG 3.41Å; K358-R362 PolarHBondContact O-N 2.99Å; R362-Y364 VanDerWaalsContact C-N 3.34Å; R362-S366 VanDerWaalsContact O-CB 3.26Å; R362-S366 WeakPolarHBondContact O-CB 3.38Å; R362-S366 PolarHBondContact O-N 3.04Å; R362-S366 PolarHBondContact O-OG 3.21Å
363	S	89.3	Confident	89.2	Confident	21 Å²	21	33.9 Å²	33.9	15%	0.147	18%	0.177	C	C	.	.	H	α-helix	trans	-74.8	-20.9	177.5	-172.9	0	0	0	0	113.3	K330 L359 S360 Y361 Q430	K330-S363 VanDerWaalsContact CE-OG 3.24Å; K330-S363 WeakPolarHBondContact CE-OG 3.16Å; K330-S363 PolarHBondContact NZ-O 2.89Å; K330-S363 PolarHBondContact NZ-OG 3.46Å; L359-S363 VanDerWaalsContact O-CB 3.26Å; L359-S363 WeakPolarHBondContact O-CB 3.45Å; L359-S363 PolarHBondContact O-N 3.27Å; S360-S363 PolarHBondContact O-N 3.03Å; Y361-S363 VanDerWaalsContact C-N 3.32Å; Y361-S363 PolarHBondContact O-N 3.19Å; S363-Q430 PolarHBondContact OG-O 3.34Å
364	Y	91.9	Very high	89.5	Confident	5 Å²	5	35.8 Å²	35.8	2%	0.02	18%	0.182	C	C	.	.	H	α-helix	trans	-78.8	-56.9	169.5	170	-96.1	0	0	0	111.1	I333 A334 Y337 S360 Y361 R362 S366 W367 V368	I333-Y364 HydrophobicContact CB-CG 4.42Å; I333-Y364 HydrophobicContact CG2-CD1 3.41Å; I333-Y364 VanDerWaalsContact CG2-CD1 3.41Å; I333-Y364 HydrophobicContact CG2-CD2 4.05Å; I333-Y364 HydrophobicContact CG2-CE1 3.88Å; I333-Y364 HydrophobicContact CG2-CE2 4.44Å; I333-Y364 HydrophobicContact CG2-CG 3.51Å; A334-Y364 HydrophobicContact CB-CD2 4.48Å; A334-Y364 HydrophobicContact CB-CE2 3.68Å; Y337-Y364 HydrophobicContact CD2-CD1 4.22Å; Y337-Y364 AromaticContact CD2-CE1 3.37Å; Y337-Y364 HydrophobicContact CD2-CE1 3.37Å; Y337-Y364 AromaticContact CD2-CZ 3.89Å; Y337-Y364 HydrophobicContact CE2-CD1 4.24Å; Y337-Y364 AromaticContact CE2-CE1 3.75Å; Y337-Y364 HydrophobicContact CE2-CE1 3.75Å; Y337-Y364 HydrophobicContact CG-CE1 4.24Å; S360-Y364 WeakPolarHBondContact O-CB 3.26Å; S360-Y364 PolarHBondContact O-N 2.68Å; Y361-Y364 PolarHBondContact O-N 2.64Å; R362-Y364 VanDerWaalsContact C-N 3.34Å; Y364-S366 VanDerWaalsContact C-N 3.35Å; Y364-S366 PolarHBondContact O-N 3.37Å; Y364-W367 PolarHBondContact O-N 2.85Å; Y364-V368 HydrophobicContact CD1-CG2 4.43Å; Y364-V368 HydrophobicContact CD2-CG2 4.14Å; Y364-V368 HydrophobicContact CE1-CG2 3.99Å; Y364-V368 HydrophobicContact CE2-CG2 3.67Å; Y364-V368 PolarHBondContact O-N 3.14Å
365	W	94.6	Very high	89.4	Confident	17 Å²	17	36 Å²	36	6%	0.064	18%	0.178	C	C	.	.	H	α-helix	trans	-56.4	-46.6	-179.2	-62.7	-34.3	0	0	0	111.8	Y337 P349 Y361 W367 V368 L369 I391 D395 T399	Y337-W365 AromaticContact CE2-NE1 3.53Å; Y337-W365 AromaticContact CZ-NE1 3.55Å; Y337-W365 PolarHBondContact OH-NE1 3.44Å; P349-W365 HydrophobicContact CG-CZ2 4.47Å; Y361-W365 AromaticContact CD1-CE2 3.89Å; Y361-W365 AromaticContact CD1-CZ2 3.77Å; Y361-W365 HydrophobicContact CD1-CZ2 3.77Å; Y361-W365 HydrophobicContact CG-CZ2 4.23Å; Y361-W365 PolarHBondContact O-N 3.14Å; W365-W367 VanDerWaalsContact C-N 3.31Å; W365-W367 PolarHBondContact O-N 3.13Å; W365-V368 PolarHBondContact O-N 2.83Å; W365-L369 WeakPolarHBondContact O-CB 3.38Å; W365-L369 VanDerWaalsContact O-CG 3.29Å; W365-L369 WeakPolarHBondContact O-CG 3.1Å; W365-L369 PolarHBondContact O-N 2.98Å; W365-I391 HydrophobicContact CG-CD1 4.36Å; W365-I391 HydrophobicContact CG-CG2 4.41Å; W365-D395 HydrophobicContact CD2-CB 4.35Å; W365-D395 HydrophobicContact CE3-CB 4.31Å; W365-D395 HydrophobicContact CH2-CB 3.83Å; W365-D395 HydrophobicContact CZ2-CB 3.85Å; W365-D395 HydrophobicContact CZ3-CB 4.06Å; W365-T399 HydrophobicContact CB-CG2 4.06Å
366	S	92.3	Very high	89.3	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.014	17%	0.173	C	C	.	.	H	α-helix	trans	-58.4	-43.3	176.9	-57.4	0	0	0	0	111.8	R362 Y364 L370 Y431	R362-S366 VanDerWaalsContact O-CB 3.26Å; R362-S366 WeakPolarHBondContact O-CB 3.38Å; R362-S366 PolarHBondContact O-N 3.04Å; R362-S366 PolarHBondContact O-OG 3.21Å; Y364-S366 VanDerWaalsContact C-N 3.35Å; Y364-S366 PolarHBondContact O-N 3.37Å; S366-L370 VanDerWaalsContact O-CB 3.26Å; S366-L370 WeakPolarHBondContact O-CB 3.32Å; S366-L370 VanDerWaalsContact O-CD1 3.28Å; S366-L370 WeakPolarHBondContact O-CD1 3.31Å; S366-L370 WeakPolarHBondContact O-CG 3.4Å; S366-L370 PolarHBondContact O-N 2.83Å; S366-Y431 VanDerWaalsContact CB-CD1 3.47Å
367	W	90.3	Very high	88.9	Confident	21 Å²	21	41 Å²	41	8%	0.08	19%	0.187	C	C	.	.	H	α-helix	trans	-65.9	-45.8	179.3	169.5	65.7	0	0	0	112.4	Y364 W365 L370 E371 K433 P434	Y364-W367 PolarHBondContact O-N 2.85Å; W365-W367 VanDerWaalsContact C-N 3.31Å; W365-W367 PolarHBondContact O-N 3.13Å; W367-L370 PolarHBondContact O-N 3.4Å; W367-E371 WeakPolarHBondContact CZ2-OE2 3.49Å; W367-E371 WeakPolarHBondContact O-CB 3.23Å; W367-E371 PolarHBondContact O-N 3.31Å; W367-K433 HydrophobicContact CZ2-CG 3.96Å; W367-P434 HydrophobicContact CD2-CG 4.16Å; W367-P434 VanDerWaalsContact CE2-CD 3.48Å; W367-P434 HydrophobicContact CE3-CG 3.73Å; W367-P434 HydrophobicContact CH2-CG 4.06Å; W367-P434 HydrophobicContact CZ2-CG 4.45Å; W367-P434 HydrophobicContact CZ3-CG 3.68Å
368	V	91.1	Very high	88.3	Confident	15 Å²	15	43.7 Å²	43.7	9%	0.091	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-45.8	179	173.4	0	0	0	0	111.4	Y364 W365 E371 I372 T389 I391	Y364-V368 HydrophobicContact CD1-CG2 4.43Å; Y364-V368 HydrophobicContact CD2-CG2 4.14Å; Y364-V368 HydrophobicContact CE1-CG2 3.99Å; Y364-V368 HydrophobicContact CE2-CG2 3.67Å; Y364-V368 PolarHBondContact O-N 3.14Å; W365-V368 PolarHBondContact O-N 2.83Å; V368-E371 PolarHBondContact O-N 3.2Å; V368-I372 HydrophobicContact CG1-CD1 4.08Å; V368-I372 WeakPolarHBondContact O-CG1 3.49Å; V368-I372 PolarHBondContact O-N 2.95Å; V368-I372 VanDerWaalsContact O-N 3.12Å; V368-T389 HydrophobicContact CG1-CG2 3.64Å; V368-I391 HydrophobicContact CG1-CD1 4.37Å
369	L	92.6	Very high	87.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-68.1	-39.4	-179.9	-63.2	-178.7	0	0	0	111.9	W365 I372 L373 L385 I396 T399 L400	W365-L369 WeakPolarHBondContact O-CB 3.38Å; W365-L369 VanDerWaalsContact O-CG 3.29Å; W365-L369 WeakPolarHBondContact O-CG 3.1Å; W365-L369 PolarHBondContact O-N 2.98Å; L369-I372 PolarHBondContact O-N 2.63Å; L369-L373 WeakPolarHBondContact O-CB 3.36Å; L369-L373 WeakPolarHBondContact O-CG 3.42Å; L369-L373 PolarHBondContact O-N 2.95Å; L369-L385 HydrophobicContact CD2-CB 4.34Å; L369-L385 HydrophobicContact CD2-CD1 4.16Å; L369-L385 HydrophobicContact CD2-CD2 4.09Å; L369-L385 HydrophobicContact CD2-CG 4.45Å; L369-I396 HydrophobicContact CD1-CB 4.4Å; L369-I396 HydrophobicContact CD1-CG1 4.32Å; L369-I396 HydrophobicContact CD1-CG2 4.08Å; L369-I396 HydrophobicContact CD2-CG1 4.31Å; L369-T399 HydrophobicContact CD1-CG2 3.91Å; L369-L400 HydrophobicContact CD1-CD2 4.21Å; L369-L400 HydrophobicContact CD1-CG 4.16Å
370	L	90.9	Very high	88	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.2	-38.4	174.7	-71.1	166.5	0	0	0	112.5	S366 W367 L373 R374 L403 M405 V422 H425 L426 Y431	S366-L370 VanDerWaalsContact O-CB 3.26Å; S366-L370 WeakPolarHBondContact O-CB 3.32Å; S366-L370 VanDerWaalsContact O-CD1 3.28Å; S366-L370 WeakPolarHBondContact O-CD1 3.31Å; S366-L370 WeakPolarHBondContact O-CG 3.4Å; S366-L370 PolarHBondContact O-N 2.83Å; W367-L370 PolarHBondContact O-N 3.4Å; L370-L373 PolarHBondContact O-N 2.76Å; L370-R374 WeakPolarHBondContact O-CB 3.49Å; L370-R374 PolarHBondContact O-N 3.22Å; L370-L403 HydrophobicContact CD2-CD1 4.48Å; L370-L403 HydrophobicContact CG-CD1 4.38Å; L370-M405 HydrophobicContact CD2-CE 3.58Å; L370-M405 HydrophobicContact CD2-SD 3.91Å; L370-V422 HydrophobicContact CB-CG1 4.36Å; L370-V422 HydrophobicContact CD2-CG1 4Å; L370-V422 VanDerWaalsContact O-CG1 3.27Å; L370-V422 WeakPolarHBondContact O-CG1 3.36Å; L370-H425 HydrophobicContact CD1-CB 3.77Å; L370-H425 HydrophobicContact CD2-CB 3.69Å; L370-H425 HydrophobicContact CG-CB 4.42Å; L370-L426 HydrophobicContact CB-CD2 3.61Å; L370-L426 HydrophobicContact CB-CG 3.95Å; L370-L426 HydrophobicContact CD1-CD2 4.26Å; L370-Y431 HydrophobicContact CD1-CD1 4.49Å; L370-Y431 HydrophobicContact CD1-CD2 4.38Å; L370-Y431 HydrophobicContact CD1-CG 4.04Å
371	E	87.9	Confident	88	Confident	13 Å²	13	43.4 Å²	43.4	6%	0.061	22%	0.223	C	C	.	.	H	α-helix	trans	-63.5	-43.7	175.8	177.8	132.4	-85.9	0	0	111.6	W367 V368 R374 D375	W367-E371 WeakPolarHBondContact CZ2-OE2 3.49Å; W367-E371 WeakPolarHBondContact O-CB 3.23Å; W367-E371 PolarHBondContact O-N 3.31Å; V368-E371 PolarHBondContact O-N 3.2Å; E371-R374 PolarHBondContact O-N 3.42Å; E371-R374 IonicContact OE1-CZ 2.81Å; E371-R374 IonicContact OE1-NH1 3.35Å; E371-R374 PolarHBondContact OE1-NH1 2.76Å; E371-R374 IonicContact OE1-NH2 3Å; E371-R374 PolarHBondContact OE1-NH2 3.46Å; E371-D375 PolarHBondContact O-N 3.23Å
372	I	89.6	Confident	88.1	Confident	4 Å²	4	43.9 Å²	43.9	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-65.7	-46.1	175.7	-65.4	166.9	0	0	0	111.1	V368 L369 R374 D375 F376 L380 L385 M388 T389 V444	V368-I372 HydrophobicContact CG1-CD1 4.08Å; V368-I372 WeakPolarHBondContact O-CG1 3.49Å; V368-I372 PolarHBondContact O-N 2.95Å; V368-I372 VanDerWaalsContact O-N 3.12Å; L369-I372 PolarHBondContact O-N 2.63Å; I372-R374 VanDerWaalsContact C-N 3.26Å; I372-R374 PolarHBondContact O-N 3.47Å; I372-D375 PolarHBondContact O-N 2.88Å; I372-F376 WeakPolarHBondContact O-CB 3.43Å; I372-F376 PolarHBondContact O-N 3.5Å; I372-L380 HydrophobicContact CG2-CD1 3.85Å; I372-L385 HydrophobicContact CB-CD2 4.29Å; I372-L385 HydrophobicContact CD1-CD2 4.37Å; I372-L385 HydrophobicContact CG2-CD2 3.69Å; I372-M388 HydrophobicContact CD1-CE 4.29Å; I372-M388 HydrophobicContact CG1-CE 4.3Å; I372-M388 HydrophobicContact CG2-CE 3.84Å; I372-M388 HydrophobicContact CG2-SD 4.34Å; I372-T389 HydrophobicContact CD1-CG2 3.4Å; I372-T389 VanDerWaalsContact CD1-CG2 3.4Å; I372-V444 HydrophobicContact CD1-CG1 3.96Å; I372-V444 HydrophobicContact CG1-CG1 3.78Å
373	L	89.3	Confident	88.2	Confident	22 Å²	22	44.8 Å²	44.8	12%	0.115	23%	0.233	C	C	.	.	H	α-helix	trans	-67.5	-22.6	-179.7	-68.8	172.8	0	0	0	113.4	L369 L370 L380 L400 M405 I415 V417 V422	L369-L373 WeakPolarHBondContact O-CB 3.36Å; L369-L373 WeakPolarHBondContact O-CG 3.42Å; L369-L373 PolarHBondContact O-N 2.95Å; L370-L373 PolarHBondContact O-N 2.76Å; L373-L380 HydrophobicContact CD2-CD1 4Å; L373-L400 HydrophobicContact CD1-CD2 3.98Å; L373-M405 HydrophobicContact CD1-SD 4.2Å; L373-I415 HydrophobicContact CD2-CG2 4.25Å; L373-V417 HydrophobicContact CD1-CG1 4.48Å; L373-V417 HydrophobicContact CD2-CG1 4.26Å; L373-V422 HydrophobicContact CB-CG1 4.46Å; L373-V422 HydrophobicContact CB-CG2 4.01Å
374	R	87.4	Confident	88.4	Confident	71 Å²	71	46.6 Å²	46.6	27%	0.268	24%	0.241	S	C	.	.	H	α-helix	trans	-72.2	-45.7	172.6	-178.2	-166.8	66.3	-133.9	-5	111.7	L370 E371 I372 R377 V422 E423 L426	L370-R374 WeakPolarHBondContact O-CB 3.49Å; L370-R374 PolarHBondContact O-N 3.22Å; E371-R374 PolarHBondContact O-N 3.42Å; E371-R374 IonicContact OE1-CZ 2.81Å; E371-R374 IonicContact OE1-NH1 3.35Å; E371-R374 PolarHBondContact OE1-NH1 2.76Å; E371-R374 IonicContact OE1-NH2 3Å; E371-R374 PolarHBondContact OE1-NH2 3.46Å; I372-R374 VanDerWaalsContact C-N 3.26Å; I372-R374 PolarHBondContact O-N 3.47Å; R374-R377 PolarHBondContact O-NH1 3.29Å; R374-V422 HydrophobicContact CB-CG1 3.88Å; R374-E423 WeakPolarHBondContact CD-OE1 3.5Å; R374-L426 HydrophobicContact CB-CD1 4.03Å; R374-L426 HydrophobicContact CG-CD1 4.19Å
375	D	82.4	Confident	88.5	Confident	65 Å²	65	46.4 Å²	46.4	35%	0.348	24%	0.24	S	C	.	.	H	α-helix	trans	-90.7	-24.9	-168.5	-67.6	-16	0	0	0	113.1	E371 I372 C445	E371-D375 PolarHBondContact O-N 3.23Å; I372-D375 PolarHBondContact O-N 2.88Å; D375-C445 HydrophobicContact CB-CB 3.88Å; D375-C445 WeakPolarHBondContact OD2-CB 3.28Å; D375-C445 PolarHBondContact OD2-SG 3.09Å
376	F	80.3	Confident	88.6	Confident	84 Å²	84	45.8 Å²	45.8	37%	0.368	24%	0.238	S	C	.	.			trans	-67.6	150.9	178.9	-158.8	-94.6	0	0	0	113	I372 L380	I372-F376 WeakPolarHBondContact O-CB 3.43Å; I372-F376 PolarHBondContact O-N 3.5Å; F376-L380 HydrophobicContact CB-CD1 3.69Å; F376-L380 HydrophobicContact CB-CG 4.44Å; F376-L380 HydrophobicContact CD1-CD1 3.8Å; F376-L380 HydrophobicContact CD1-CD2 4.34Å; F376-L380 HydrophobicContact CD1-CG 3.6Å; F376-L380 HydrophobicContact CD2-CD1 3.98Å; F376-L380 HydrophobicContact CD2-CD2 4.01Å; F376-L380 HydrophobicContact CD2-CG 4.05Å; F376-L380 HydrophobicContact CE1-CD1 4.42Å; F376-L380 HydrophobicContact CE1-CD2 4.18Å; F376-L380 HydrophobicContact CE1-CG 3.73Å; F376-L380 HydrophobicContact CE2-CD2 3.83Å; F376-L380 HydrophobicContact CE2-CG 4.16Å; F376-L380 HydrophobicContact CG-CD1 3.54Å; F376-L380 HydrophobicContact CG-CD2 4.27Å; F376-L380 HydrophobicContact CG-CG 3.77Å; F376-L380 HydrophobicContact CZ-CD2 3.92Å; F376-L380 HydrophobicContact CZ-CG 4.01Å
377	R	74.5	Confident	88.7	Confident	195 Å²	195	51.9 Å²	51.9	74%	0.736	27%	0.267	S	S	*	.			trans	-134.4	90.5	178.7	-65.6	-67.1	177.6	-90	-0.7	109.7	R374	R374-R377 PolarHBondContact O-NH1 3.29Å
378	G	77.3	Confident	88.8	Confident	66 Å²	66	53 Å²	53	68%	0.68	27%	0.273	S	S	*	.	S	Bend	trans	147.6	-164.1	-177.1	0	0	0	0	0	111.7
379	T	80.9	Confident	89	Confident	134 Å²	134	52.3 Å²	52.3	82%	0.822	27%	0.269	S	S	*	.			trans	-85.1	126.6	173.7	49	0	0	0	0	111.3
380	L	88.8	Confident	89.2	Confident	26 Å²	26	52.5 Å²	52.5	14%	0.136	27%	0.271	C	S	.	.			trans	-106.7	140.5	165.7	-82.3	164.1	0	0	0	110.1	I372 L373 F376 D384 L385 M388 I415	I372-L380 HydrophobicContact CG2-CD1 3.85Å; L373-L380 HydrophobicContact CD2-CD1 4Å; F376-L380 HydrophobicContact CB-CD1 3.69Å; F376-L380 HydrophobicContact CB-CG 4.44Å; F376-L380 HydrophobicContact CD1-CD1 3.8Å; F376-L380 HydrophobicContact CD1-CD2 4.34Å; F376-L380 HydrophobicContact CD1-CG 3.6Å; F376-L380 HydrophobicContact CD2-CD1 3.98Å; F376-L380 HydrophobicContact CD2-CD2 4.01Å; F376-L380 HydrophobicContact CD2-CG 4.05Å; F376-L380 HydrophobicContact CE1-CD1 4.42Å; F376-L380 HydrophobicContact CE1-CD2 4.18Å; F376-L380 HydrophobicContact CE1-CG 3.73Å; F376-L380 HydrophobicContact CE2-CD2 3.83Å; F376-L380 HydrophobicContact CE2-CG 4.16Å; F376-L380 HydrophobicContact CG-CD1 3.54Å; F376-L380 HydrophobicContact CG-CD2 4.27Å; F376-L380 HydrophobicContact CG-CG 3.77Å; F376-L380 HydrophobicContact CZ-CD2 3.92Å; F376-L380 HydrophobicContact CZ-CG 4.01Å; L380-D384 HydrophobicContact CD2-CB 3.83Å; L380-L385 HydrophobicContact CD1-CD2 4.15Å; L380-M388 HydrophobicContact CD2-SD 4.28Å; L380-I415 HydrophobicContact CB-CD1 4.26Å; L380-I415 WeakPolarHBondContact O-CD1 3.35Å
381	S	92.3	Very high	89.6	Confident	47 Å²	47	52.5 Å²	52.5	33%	0.329	27%	0.271	S	S	.	.			trans	-98.5	166	166.3	77.7	0	0	0	0	111.6	K383 D384 L385	S381-K383 PolarHBondContact O-N 3.3Å; S381-K383 PolarHBondContact OG-N 3.27Å; S381-D384 WeakPolarHBondContact CA-OD2 3.27Å; S381-D384 WeakPolarHBondContact CB-OD2 3.34Å; S381-D384 PolarHBondContact N-OD2 2.96Å; S381-D384 PolarHBondContact O-N 3.04Å; S381-D384 PolarHBondContact OG-N 2.98Å; S381-D384 PolarHBondContact OG-OD1 3.32Å; S381-D384 PolarHBondContact OG-OD2 3.47Å; S381-L385 PolarHBondContact O-N 2.92Å
382	I	94.3	Very high	90	Very high	12 Å²	12	53.1 Å²	53.1	6%	0.062	28%	0.275	C	S	.	.	H	α-helix	trans	-60.1	-31.9	171.9	-57.1	-64.3	0	0	0	111.2	S386 Q393 I396 I397 L400 V406 H413 I415	I382-S386 WeakPolarHBondContact O-CB 3.26Å; I382-S386 PolarHBondContact O-N 2.6Å; I382-S386 VanDerWaalsContact O-N 3.08Å; I382-Q393 HydrophobicContact CG2-CB 3.8Å; I382-Q393 HydrophobicContact CG2-CG 3.98Å; I382-I396 HydrophobicContact CD1-CG2 4Å; I382-I396 HydrophobicContact CG2-CB 4.45Å; I382-I396 HydrophobicContact CG2-CG2 4.13Å; I382-I397 HydrophobicContact CD1-CG1 4.19Å; I382-I397 HydrophobicContact CG1-CG1 4.32Å; I382-I397 HydrophobicContact CG2-CD1 4.16Å; I382-I397 HydrophobicContact CG2-CG1 3.97Å; I382-L400 HydrophobicContact CD1-CD1 3.78Å; I382-V406 HydrophobicContact CD1-CG2 4.48Å; I382-H413 HydrophobicContact CG1-CB 4.34Å; I382-I415 HydrophobicContact CD1-CD1 4.09Å; I382-I415 HydrophobicContact CD1-CG1 3.79Å; I382-I415 HydrophobicContact CG1-CG1 4.48Å
383	K	94.4	Very high	90.4	Very high	121 Å²	121	57.4 Å²	57.4	53%	0.526	30%	0.295	S	S	.	.	H	α-helix	trans	-68.7	-44.1	178.1	-173.8	-178.4	177.2	-176.5	0	111.6	S381 L385 S386 Q387	S381-K383 PolarHBondContact O-N 3.3Å; S381-K383 PolarHBondContact OG-N 3.27Å; K383-L385 PolarHBondContact O-N 3.42Å; K383-S386 WeakPolarHBondContact O-CB 2.83Å; K383-S386 PolarHBondContact O-N 3.43Å; K383-S386 VanDerWaalsContact O-N 3.15Å; K383-Q387 WeakPolarHBondContact O-CG 3.19Å; K383-Q387 PolarHBondContact O-N 3.5Å
384	D	93.3	Very high	90.7	Very high	59 Å²	59	62.2 Å²	62.2	32%	0.316	32%	0.321	S	S	.	.	H	α-helix	trans	-63.6	-44.6	-179.9	-47.7	-46	0	0	0	110.5	L380 S381 S386 Q387 M388	L380-D384 HydrophobicContact CD2-CB 3.83Å; S381-D384 WeakPolarHBondContact CA-OD2 3.27Å; S381-D384 WeakPolarHBondContact CB-OD2 3.34Å; S381-D384 PolarHBondContact N-OD2 2.96Å; S381-D384 PolarHBondContact O-N 3.04Å; S381-D384 PolarHBondContact OG-N 2.98Å; S381-D384 PolarHBondContact OG-OD1 3.32Å; S381-D384 PolarHBondContact OG-OD2 3.47Å; D384-S386 VanDerWaalsContact C-N 3.3Å; D384-S386 PolarHBondContact O-N 3.24Å; D384-Q387 PolarHBondContact O-N 3.29Å; D384-M388 WeakPolarHBondContact O-CB 3.2Å; D384-M388 VanDerWaalsContact O-CG 3.27Å; D384-M388 WeakPolarHBondContact O-CG 3.44Å; D384-M388 PolarHBondContact O-N 3.32Å
385	L	94.4	Very high	91.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-57.9	-42.1	173.2	-71.6	176.6	0	0	0	112.1	L369 I372 L380 S381 K383 M388 T389 I396 L400 I415	L369-L385 HydrophobicContact CD2-CB 4.34Å; L369-L385 HydrophobicContact CD2-CD1 4.16Å; L369-L385 HydrophobicContact CD2-CD2 4.09Å; L369-L385 HydrophobicContact CD2-CG 4.45Å; I372-L385 HydrophobicContact CB-CD2 4.29Å; I372-L385 HydrophobicContact CD1-CD2 4.37Å; I372-L385 HydrophobicContact CG2-CD2 3.69Å; L380-L385 HydrophobicContact CD1-CD2 4.15Å; S381-L385 PolarHBondContact O-N 2.92Å; K383-L385 PolarHBondContact O-N 3.42Å; L385-M388 PolarHBondContact O-N 3.33Å; L385-T389 WeakPolarHBondContact O-CB 3.43Å; L385-T389 VanDerWaalsContact O-CG2 3.32Å; L385-T389 WeakPolarHBondContact O-CG2 3.28Å; L385-T389 PolarHBondContact O-N 2.89Å; L385-T389 VanDerWaalsContact O-N 3.13Å; L385-T389 PolarHBondContact O-OG1 2.77Å; L385-I396 HydrophobicContact CB-CD1 3.93Å; L385-I396 HydrophobicContact CB-CG2 4.36Å; L385-I396 HydrophobicContact CD1-CG2 3.97Å; L385-L400 HydrophobicContact CD1-CD1 4.2Å; L385-I415 HydrophobicContact CD1-CD1 3.45Å; L385-I415 VanDerWaalsContact CD1-CD1 3.45Å; L385-I415 HydrophobicContact CG-CD1 4.34Å
386	S	96.8	Very high	91.8	Very high	5 Å²	5	56.3 Å²	56.3	4%	0.035	30%	0.295	C	S	.	.	H	α-helix	trans	-64.4	-43.9	178.2	-164.4	0	0	0	0	111.6	I382 K383 D384 T389 S390 I391 I396	I382-S386 WeakPolarHBondContact O-CB 3.26Å; I382-S386 PolarHBondContact O-N 2.6Å; I382-S386 VanDerWaalsContact O-N 3.08Å; K383-S386 WeakPolarHBondContact O-CB 2.83Å; K383-S386 PolarHBondContact O-N 3.43Å; K383-S386 VanDerWaalsContact O-N 3.15Å; D384-S386 VanDerWaalsContact C-N 3.3Å; D384-S386 PolarHBondContact O-N 3.24Å; S386-T389 PolarHBondContact O-N 3.35Å; S386-S390 WeakPolarHBondContact O-CA 3.21Å; S386-S390 PolarHBondContact O-N 3.02Å; S386-I391 WeakPolarHBondContact CA-O 3.07Å; S386-I391 WeakPolarHBondContact CB-O 3.28Å; S386-I391 PolarHBondContact OG-O 3.4Å; S386-I396 VanDerWaalsContact CA-CD1 3.46Å
387	Q	94	Very high	92.5	Very high	130 Å²	130	53.4 Å²	53.4	61%	0.607	28%	0.283	S	S	*	.	H	α-helix	trans	-68	-34.7	176.3	-69.3	-178.5	-44.9	0	0	113.3	K383 D384	K383-Q387 WeakPolarHBondContact O-CG 3.19Å; K383-Q387 PolarHBondContact O-N 3.5Å; D384-Q387 PolarHBondContact O-N 3.29Å
388	M	92.3	Very high	93.5	Very high	43 Å²	43	46.6 Å²	46.6	21%	0.212	27%	0.265	C	S	.	.	H	α-helix	trans	-73.9	-23.7	177.6	-73	176.8	67.6	0	0	113.9	I372 L380 D384 L385 V444	I372-M388 HydrophobicContact CD1-CE 4.29Å; I372-M388 HydrophobicContact CG1-CE 4.3Å; I372-M388 HydrophobicContact CG2-CE 3.84Å; I372-M388 HydrophobicContact CG2-SD 4.34Å; L380-M388 HydrophobicContact CD2-SD 4.28Å; D384-M388 WeakPolarHBondContact O-CB 3.2Å; D384-M388 VanDerWaalsContact O-CG 3.27Å; D384-M388 WeakPolarHBondContact O-CG 3.44Å; D384-M388 PolarHBondContact O-N 3.32Å; L385-M388 PolarHBondContact O-N 3.33Å; M388-V444 HydrophobicContact CE-CG1 4.49Å
389	T	95.2	Very high	94.4	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-119.8	-16.4	-168.3	62.4	0	0	0	0	114.8	K341 V368 I372 L385 S386 I391	K341-T389 WeakPolarHBondContact CE-O 3.44Å; V368-T389 HydrophobicContact CG1-CG2 3.64Å; I372-T389 HydrophobicContact CD1-CG2 3.4Å; I372-T389 VanDerWaalsContact CD1-CG2 3.4Å; L385-T389 WeakPolarHBondContact O-CB 3.43Å; L385-T389 VanDerWaalsContact O-CG2 3.32Å; L385-T389 WeakPolarHBondContact O-CG2 3.28Å; L385-T389 PolarHBondContact O-N 2.89Å; L385-T389 VanDerWaalsContact O-N 3.13Å; L385-T389 PolarHBondContact O-OG1 2.77Å; S386-T389 PolarHBondContact O-N 3.35Å; T389-I391 HydrophobicContact CG2-CD1 4.22Å; T389-I391 PolarHBondContact O-N 3.36Å; T389-I391 WeakPolarHBondContact OG1-CB 3.46Å; T389-I391 WeakPolarHBondContact OG1-CG1 3.28Å; T389-I391 PolarHBondContact OG1-N 3.21Å; T389-I391 VanDerWaalsContact OG1-N 3.16Å
390	S	97.9	Very high	95	Very high	5 Å²	5	37.2 Å²	37.2	4%	0.035	19%	0.194	C	C	.	.			trans	58.8	10.7	-164.2	-67.2	0	0	0	0	114.9	Y337 K341 T345 V346 G347 S386	Y337-S390 WeakPolarHBondContact CE1-O 3.34Å; K341-S390 WeakPolarHBondContact CA-OG 3.27Å; K341-S390 VanDerWaalsContact CG-OG 3.29Å; K341-S390 WeakPolarHBondContact CG-OG 3.32Å; K341-S390 PolarHBondContact N-OG 3.49Å; T345-S390 WeakPolarHBondContact O-CB 3.38Å; T345-S390 PolarHBondContact O-OG 3.09Å; V346-S390 CarbonylContact C-O 3.47Å; V346-S390 VanDerWaalsContact CA-O 3.29Å; V346-S390 WeakPolarHBondContact CA-O 3.2Å; G347-S390 PolarHBondContact N-O 2.77Å; S386-S390 WeakPolarHBondContact O-CA 3.21Å; S386-S390 PolarHBondContact O-N 3.02Å
391	I	97.9	Very high	95.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-77	138.6	172.3	-55.7	163.2	0	0	0	108.5	Y337 W365 V368 S386 T389 D395 I396	Y337-I391 HydrophobicContact CD1-CG1 4.1Å; Y337-I391 HydrophobicContact CE1-CB 4.25Å; Y337-I391 HydrophobicContact CE1-CG1 3.79Å; Y337-I391 HydrophobicContact CE2-CG1 4.35Å; W365-I391 HydrophobicContact CG-CD1 4.36Å; W365-I391 HydrophobicContact CG-CG2 4.41Å; V368-I391 HydrophobicContact CG1-CD1 4.37Å; S386-I391 WeakPolarHBondContact CA-O 3.07Å; S386-I391 WeakPolarHBondContact CB-O 3.28Å; S386-I391 PolarHBondContact OG-O 3.4Å; T389-I391 HydrophobicContact CG2-CD1 4.22Å; T389-I391 PolarHBondContact O-N 3.36Å; T389-I391 WeakPolarHBondContact OG1-CB 3.46Å; T389-I391 WeakPolarHBondContact OG1-CG1 3.28Å; T389-I391 PolarHBondContact OG1-N 3.21Å; T389-I391 VanDerWaalsContact OG1-N 3.16Å; I391-D395 HydrophobicContact CG2-CB 3.66Å; I391-I396 HydrophobicContact CB-CD1 4.18Å; I391-I396 HydrophobicContact CB-CG1 4.01Å; I391-I396 HydrophobicContact CG2-CD1 4.44Å; I391-I396 HydrophobicContact CG2-CG1 3.8Å; I391-I396 WeakPolarHBondContact O-CD1 3.28Å
392	T	97.6	Very high	95.1	Very high	26 Å²	26	40 Å²	40	16%	0.16	21%	0.206	C	C	.	.			trans	-62.4	151.2	177.9	82.7	0	0	0	0	111.8	G347 N394 D395 I396	G347-T392 VanDerWaalsContact C-CG2 3.48Å; G347-T392 WeakPolarHBondContact O-CG2 3.46Å; T392-N394 PolarHBondContact O-N 3.47Å; T392-N394 PolarHBondContact OG1-N 3.19Å; T392-D395 WeakPolarHBondContact CG2-OD2 3.42Å; T392-D395 PolarHBondContact O-N 3.02Å; T392-D395 PolarHBondContact OG1-N 3.03Å; T392-D395 VanDerWaalsContact OG1-N 3.14Å; T392-D395 PolarHBondContact OG1-OD2 3.2Å; T392-I396 WeakPolarHBondContact O-CG1 3.19Å; T392-I396 PolarHBondContact O-N 3.48Å
393	Q	96.7	Very high	94.9	Very high	93 Å²	93	39.5 Å²	39.5	44%	0.435	20%	0.203	S	C	.	.	H	α-helix	trans	-58.8	-31.9	176.8	-63.8	-172.4	55.4	0	0	112.3	I382 I396 I397	I382-Q393 HydrophobicContact CG2-CB 3.8Å; I382-Q393 HydrophobicContact CG2-CG 3.98Å; Q393-I396 PolarHBondContact O-N 3.28Å; Q393-I397 WeakPolarHBondContact O-CB 3.33Å; Q393-I397 WeakPolarHBondContact O-CD1 3.34Å; Q393-I397 WeakPolarHBondContact O-CG1 3.12Å; Q393-I397 PolarHBondContact O-N 3.45Å
394	N	95.8	Very high	94.7	Very high	123 Å²	123	39.2 Å²	39.2	66%	0.658	21%	0.208	S	C	*	.	H	α-helix	trans	-70	-41.3	178.1	-68.7	-22.5	0	0	0	112.3	T392 I396 I397 S398	T392-N394 PolarHBondContact O-N 3.47Å; T392-N394 PolarHBondContact OG1-N 3.19Å; N394-I396 VanDerWaalsContact C-N 3.35Å; N394-I397 PolarHBondContact O-N 2.86Å; N394-S398 WeakPolarHBondContact O-CB 3.29Å; N394-S398 PolarHBondContact O-N 3.5Å; N394-S398 PolarHBondContact O-OG 3.08Å
395	D	96.7	Very high	94.5	Very high	12 Å²	12	36.4 Å²	36.4	6%	0.064	19%	0.193	C	C	.	.	H	α-helix	trans	-70.2	-34.1	176.8	-58.7	-45.3	0	0	0	110.9	S348 W365 I391 T392 S398 T399	S348-D395 WeakPolarHBondContact CB-OD2 3.32Å; S348-D395 PolarHBondContact OG-OD1 2.98Å; S348-D395 PolarHBondContact OG-OD2 3.36Å; W365-D395 HydrophobicContact CD2-CB 4.35Å; W365-D395 HydrophobicContact CE3-CB 4.31Å; W365-D395 HydrophobicContact CH2-CB 3.83Å; W365-D395 HydrophobicContact CZ2-CB 3.85Å; W365-D395 HydrophobicContact CZ3-CB 4.06Å; I391-D395 HydrophobicContact CG2-CB 3.66Å; T392-D395 WeakPolarHBondContact CG2-OD2 3.42Å; T392-D395 PolarHBondContact O-N 3.02Å; T392-D395 PolarHBondContact OG1-N 3.03Å; T392-D395 VanDerWaalsContact OG1-N 3.14Å; T392-D395 PolarHBondContact OG1-OD2 3.2Å; D395-S398 WeakPolarHBondContact CA-OG 3.32Å; D395-S398 PolarHBondContact O-OG 3.06Å; D395-T399 WeakPolarHBondContact O-CB 3.4Å; D395-T399 PolarHBondContact O-N 2.84Å; D395-T399 PolarHBondContact O-OG1 2.93Å
396	I	96.8	Very high	94.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.3	-50.5	170.9	-67.1	165	0	0	0	111.1	L369 I382 L385 S386 I391 T392 Q393 N394 T399 L400	L369-I396 HydrophobicContact CD1-CB 4.4Å; L369-I396 HydrophobicContact CD1-CG1 4.32Å; L369-I396 HydrophobicContact CD1-CG2 4.08Å; L369-I396 HydrophobicContact CD2-CG1 4.31Å; I382-I396 HydrophobicContact CD1-CG2 4Å; I382-I396 HydrophobicContact CG2-CB 4.45Å; I382-I396 HydrophobicContact CG2-CG2 4.13Å; L385-I396 HydrophobicContact CB-CD1 3.93Å; L385-I396 HydrophobicContact CB-CG2 4.36Å; L385-I396 HydrophobicContact CD1-CG2 3.97Å; S386-I396 VanDerWaalsContact CA-CD1 3.46Å; I391-I396 HydrophobicContact CB-CD1 4.18Å; I391-I396 HydrophobicContact CB-CG1 4.01Å; I391-I396 HydrophobicContact CG2-CD1 4.44Å; I391-I396 HydrophobicContact CG2-CG1 3.8Å; I391-I396 WeakPolarHBondContact O-CD1 3.28Å; T392-I396 WeakPolarHBondContact O-CG1 3.19Å; T392-I396 PolarHBondContact O-N 3.48Å; Q393-I396 PolarHBondContact O-N 3.28Å; N394-I396 VanDerWaalsContact C-N 3.35Å; I396-T399 PolarHBondContact O-N 2.95Å; I396-L400 HydrophobicContact CG2-CD1 3.81Å; I396-L400 HydrophobicContact CG2-CG 4.34Å; I396-L400 WeakPolarHBondContact O-CB 3.17Å; I396-L400 WeakPolarHBondContact O-CG 3.12Å; I396-L400 PolarHBondContact O-N 3.37Å
397	I	95.6	Very high	94.1	Very high	24 Å²	24	43.6 Å²	43.6	12%	0.123	22%	0.224	C	C	.	.	H	α-helix	trans	-58.7	-51.1	-179.9	-76	160.7	0	0	0	110.5	I382 Q393 N394 T399 L400 Q401 H413	I382-I397 HydrophobicContact CD1-CG1 4.19Å; I382-I397 HydrophobicContact CG1-CG1 4.32Å; I382-I397 HydrophobicContact CG2-CD1 4.16Å; I382-I397 HydrophobicContact CG2-CG1 3.97Å; Q393-I397 WeakPolarHBondContact O-CB 3.33Å; Q393-I397 WeakPolarHBondContact O-CD1 3.34Å; Q393-I397 WeakPolarHBondContact O-CG1 3.12Å; Q393-I397 PolarHBondContact O-N 3.45Å; N394-I397 PolarHBondContact O-N 2.86Å; I397-T399 PolarHBondContact O-N 2.95Å; I397-L400 PolarHBondContact O-N 3.35Å; I397-Q401 HydrophobicContact CG2-CG 4.32Å; I397-Q401 WeakPolarHBondContact O-CB 3.43Å; I397-Q401 WeakPolarHBondContact O-CG 3.48Å; I397-Q401 PolarHBondContact O-N 2.84Å; I397-H413 HydrophobicContact CD1-CB 4.3Å; I397-H413 HydrophobicContact CG1-CB 4.19Å
398	S	95.1	Very high	93.8	Very high	52 Å²	52	44.8 Å²	44.8	36%	0.364	23%	0.225	S	C	.	.	H	α-helix	trans	-64.9	-37.7	-179.9	56.1	0	0	0	0	112.6	N394 D395 Q401 S402	N394-S398 WeakPolarHBondContact O-CB 3.29Å; N394-S398 PolarHBondContact O-N 3.5Å; N394-S398 PolarHBondContact O-OG 3.08Å; D395-S398 WeakPolarHBondContact CA-OG 3.32Å; D395-S398 PolarHBondContact O-OG 3.06Å; S398-Q401 PolarHBondContact O-N 2.84Å; S398-S402 PolarHBondContact O-N 2.95Å
399	T	94.8	Very high	93.5	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.018	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-52.5	173	-61.7	0	0	0	0	111.1	W365 L369 D395 I396 I397 Q401 S402 L403	W365-T399 HydrophobicContact CB-CG2 4.06Å; L369-T399 HydrophobicContact CD1-CG2 3.91Å; D395-T399 WeakPolarHBondContact O-CB 3.4Å; D395-T399 PolarHBondContact O-N 2.84Å; D395-T399 PolarHBondContact O-OG1 2.93Å; I396-T399 PolarHBondContact O-N 2.95Å; I397-T399 PolarHBondContact O-N 2.95Å; T399-Q401 VanDerWaalsContact C-N 3.32Å; T399-Q401 PolarHBondContact O-N 3.4Å; T399-S402 PolarHBondContact O-N 3.38Å; T399-S402 VanDerWaalsContact O-N 3.09Å; T399-S402 PolarHBondContact O-OG 3.39Å; T399-L403 HydrophobicContact CG2-CD1 4.19Å; T399-L403 WeakPolarHBondContact O-CG 3.47Å; T399-L403 PolarHBondContact O-N 2.96Å; T399-L403 VanDerWaalsContact O-N 3.11Å
400	L	93.6	Very high	93.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65.2	-32.7	179.3	-66.6	175.8	0	0	0	112.7	L369 L373 I382 L385 I396 I397 L403 N404 M405 V406 I415	L369-L400 HydrophobicContact CD1-CD2 4.21Å; L369-L400 HydrophobicContact CD1-CG 4.16Å; L373-L400 HydrophobicContact CD1-CD2 3.98Å; I382-L400 HydrophobicContact CD1-CD1 3.78Å; L385-L400 HydrophobicContact CD1-CD1 4.2Å; I396-L400 HydrophobicContact CG2-CD1 3.81Å; I396-L400 HydrophobicContact CG2-CG 4.34Å; I396-L400 WeakPolarHBondContact O-CB 3.17Å; I396-L400 WeakPolarHBondContact O-CG 3.12Å; I396-L400 PolarHBondContact O-N 3.37Å; I397-L400 PolarHBondContact O-N 3.35Å; L400-L403 CarbonylContact O-C 3.6Å; L400-L403 PolarHBondContact O-N 2.98Å; L400-N404 PolarHBondContact O-N 3.5Å; L400-M405 HydrophobicContact CB-CB 4.41Å; L400-M405 HydrophobicContact CD2-CB 3.98Å; L400-M405 HydrophobicContact CD2-SD 4.5Å; L400-M405 PolarHBondContact O-N 3.06Å; L400-V406 HydrophobicContact CB-CB 3.92Å; L400-V406 HydrophobicContact CB-CG1 3.82Å; L400-I415 HydrophobicContact CD1-CD1 4.23Å; L400-I415 HydrophobicContact CD1-CG1 4.21Å
401	Q	93.1	Very high	92.5	Very high	92 Å²	92	62.1 Å²	62.1	43%	0.43	31%	0.307	S	S	.	.	H	α-helix	trans	-61.2	-45.1	170.8	-77.7	172.2	-4.3	0	0	110.5	I397 S398 T399 L403 N404 V406 H413	I397-Q401 HydrophobicContact CG2-CG 4.32Å; I397-Q401 WeakPolarHBondContact O-CB 3.43Å; I397-Q401 WeakPolarHBondContact O-CG 3.48Å; I397-Q401 PolarHBondContact O-N 2.84Å; S398-Q401 PolarHBondContact O-N 2.84Å; T399-Q401 VanDerWaalsContact C-N 3.32Å; T399-Q401 PolarHBondContact O-N 3.4Å; Q401-L403 PolarHBondContact O-N 2.86Å; Q401-N404 PolarHBondContact O-N 3.34Å; Q401-V406 HydrophobicContact CB-CG1 4.24Å; Q401-V406 HydrophobicContact CG-CG1 3.53Å; Q401-H413 PolarHBondContact NE2-NE2 3.31Å
402	S	90.5	Very high	91.9	Very high	39 Å²	39	68.8 Å²	68.8	27%	0.273	34%	0.338	S	S	.	.	H	α-helix	trans	-66.8	-24.3	178.5	81	0	0	0	0	113.8	S398 T399	S398-S402 PolarHBondContact O-N 2.95Å; T399-S402 PolarHBondContact O-N 3.38Å; T399-S402 VanDerWaalsContact O-N 3.09Å; T399-S402 PolarHBondContact O-OG 3.39Å
403	L	89.6	Confident	91.5	Very high	1 Å²	1	70.5 Å²	70.5	1%	0.005	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-3.1	172.5	-60	171.8	0	0	0	113.4	L370 T399 L400 Q401 M405 H425 Y431	L370-L403 HydrophobicContact CD2-CD1 4.48Å; L370-L403 HydrophobicContact CG-CD1 4.38Å; T399-L403 HydrophobicContact CG2-CD1 4.19Å; T399-L403 WeakPolarHBondContact O-CG 3.47Å; T399-L403 PolarHBondContact O-N 2.96Å; T399-L403 VanDerWaalsContact O-N 3.11Å; L400-L403 CarbonylContact O-C 3.6Å; L400-L403 PolarHBondContact O-N 2.98Å; Q401-L403 PolarHBondContact O-N 2.86Å; L403-M405 HydrophobicContact CB-CB 4.39Å; L403-M405 HydrophobicContact CB-CG 3.93Å; L403-M405 HydrophobicContact CB-SD 4.06Å; L403-M405 HydrophobicContact CD1-SD 4.24Å; L403-M405 PolarHBondContact O-N 2.91Å; L403-H425 WeakPolarHBondContact CD2-CE1 3.26Å; L403-H425 WeakPolarHBondContact CD2-ND1 3.22Å; L403-H425 WeakPolarHBondContact CD2-NE2 3.11Å; L403-Y431 HydrophobicContact CD2-CE1 4.47Å; L403-Y431 HydrophobicContact CD2-CE2 4.35Å
404	N	90.5	Very high	91.1	Very high	116 Å²	116	68.9 Å²	68.9	62%	0.62	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	26.5	-171.8	-41.1	-82.9	0	0	0	114.8	L400 Q401	L400-N404 PolarHBondContact O-N 3.5Å; Q401-N404 PolarHBondContact O-N 3.34Å
405	M	90.9	Very high	90.8	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.316	C	S	.	.			trans	-98.6	8.8	-174.5	-69.7	-175.6	170.8	0	0	114.6	L370 L373 L400 L403 C416 V417 L421 V422 H425	L370-M405 HydrophobicContact CD2-CE 3.58Å; L370-M405 HydrophobicContact CD2-SD 3.91Å; L373-M405 HydrophobicContact CD1-SD 4.2Å; L400-M405 HydrophobicContact CB-CB 4.41Å; L400-M405 HydrophobicContact CD2-CB 3.98Å; L400-M405 HydrophobicContact CD2-SD 4.5Å; L400-M405 PolarHBondContact O-N 3.06Å; L403-M405 HydrophobicContact CB-CB 4.39Å; L403-M405 HydrophobicContact CB-CG 3.93Å; L403-M405 HydrophobicContact CB-SD 4.06Å; L403-M405 HydrophobicContact CD1-SD 4.24Å; L403-M405 PolarHBondContact O-N 2.91Å; M405-C416 PolarHBondContact O-N 3.44Å; M405-V417 HydrophobicContact CB-CB 4.39Å; M405-V417 HydrophobicContact CB-CG2 4.43Å; M405-V417 HydrophobicContact CE-CG2 3.77Å; M405-V417 HydrophobicContact CG-CB 4.33Å; M405-V417 HydrophobicContact CG-CG2 3.87Å; M405-V417 HydrophobicContact SD-CG2 3.73Å; M405-L421 HydrophobicContact CE-CB 4.47Å; M405-L421 HydrophobicContact CE-CD2 4.08Å; M405-L421 HydrophobicContact CE-CG 3.78Å; M405-L421 HydrophobicContact CG-CD2 4.18Å; M405-V422 HydrophobicContact CE-CG2 4.38Å; M405-H425 HydrophobicContact CE-CB 4.46Å
406	V	92.2	Very high	90.3	Very high	17 Å²	17	66.2 Å²	66.2	10%	0.103	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	144.3	-179.4	67.8	0	0	0	0	110.5	I382 L400 Q401 H413 V414	I382-V406 HydrophobicContact CD1-CG2 4.48Å; L400-V406 HydrophobicContact CB-CB 3.92Å; L400-V406 HydrophobicContact CB-CG1 3.82Å; Q401-V406 HydrophobicContact CB-CG1 4.24Å; Q401-V406 HydrophobicContact CG-CG1 3.53Å; V406-H413 HydrophobicContact CG2-CB 3.88Å; V406-V414 WeakPolarHBondContact CA-O 3.4Å; V406-V414 WeakPolarHBondContact CG2-O 3.34Å
407	K	88.5	Confident	89.8	Confident	138 Å²	138	68.5 Å²	68.5	60%	0.6	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	154.4	175.1	-64.6	-177.1	-175.7	177.9	0	110.2	H413 V414 C416	K407-H413 WeakPolarHBondContact O-CA 3.47Å; K407-V414 PolarHBondContact N-O 2.84Å; K407-V414 PolarHBondContact O-N 3.42Å; K407-C416 HydrophobicContact CD-CB 4.05Å; K407-C416 HydrophobicContact CG-CB 3.94Å
408	Y	89	Confident	89.4	Confident	156 Å²	156	71.1 Å²	71.1	61%	0.612	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	126.3	171.5	-166.6	-110.5	0	0	0	109.6	G411 Q412 H413	Y408-G411 WeakPolarHBondContact OH-CA 3.4Å; Y408-Q412 CarbonylContact C-O 3.53Å; Y408-Q412 WeakPolarHBondContact CA-O 3.48Å; Y408-H413 AromaticContact CD2-CD2 3.94Å; Y408-H413 AromaticContact CD2-NE2 3.81Å
409	W	86.7	Confident	88.9	Confident	178 Å²	178	73.6 Å²	73.6	67%	0.674	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.5	128.5	-176.1	-174.8	-110.3	0	0	0	110.4	G411 Q412 V414	W409-G411 PolarHBondContact O-N 3.31Å; W409-Q412 PolarHBondContact N-O 3.2Å; W409-Q412 PolarHBondContact O-N 3.07Å; W409-V414 HydrophobicContact CB-CG2 4.23Å
410	K	86.2	Confident	88.5	Confident	187 Å²	187	80.3 Å²	80.3	81%	0.813	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.4	39.1	179.8	-63.9	-172.1	175.2	-172	0	114.7
411	G	84.6	Confident	88.2	Confident	48 Å²	48	82.8 Å²	82.8	50%	0.495	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	2.6	179.6	0	0	0	0	0	115.8	Y408 W409	Y408-G411 WeakPolarHBondContact OH-CA 3.4Å; W409-G411 PolarHBondContact O-N 3.31Å
412	Q	85.8	Confident	87.9	Confident	140 Å²	140	78.4 Å²	78.4	65%	0.654	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.5	152.1	-175.9	-64.5	-174.7	-13.3	0	0	112.7	Y408 W409	Y408-Q412 CarbonylContact C-O 3.53Å; Y408-Q412 WeakPolarHBondContact CA-O 3.48Å; W409-Q412 PolarHBondContact N-O 3.2Å; W409-Q412 PolarHBondContact O-N 3.07Å
413	H	88.5	Confident	87.6	Confident	62 Å²	62	79.9 Å²	79.9	29%	0.287	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	117.1	170.4	-77	114.1	0	0	0	110.4	I382 I397 Q401 V406 K407 Y408	I382-H413 HydrophobicContact CG1-CB 4.34Å; I397-H413 HydrophobicContact CD1-CB 4.3Å; I397-H413 HydrophobicContact CG1-CB 4.19Å; Q401-H413 PolarHBondContact NE2-NE2 3.31Å; V406-H413 HydrophobicContact CG2-CB 3.88Å; K407-H413 WeakPolarHBondContact O-CA 3.47Å; Y408-H413 AromaticContact CD2-CD2 3.94Å; Y408-H413 AromaticContact CD2-NE2 3.81Å
414	V	88.9	Confident	87.5	Confident	59 Å²	59	84.6 Å²	84.6	36%	0.358	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.3	-177.9	-176	0	0	0	0	109.4	V406 K407 W409 C416	V406-V414 WeakPolarHBondContact CA-O 3.4Å; V406-V414 WeakPolarHBondContact CG2-O 3.34Å; K407-V414 PolarHBondContact N-O 2.84Å; K407-V414 PolarHBondContact O-N 3.42Å; W409-V414 HydrophobicContact CB-CG2 4.23Å; V414-C416 PolarHBondContact O-N 2.84Å
415	I	90.4	Very high	87.3	Confident	29 Å²	29	81.1 Å²	81.1	15%	0.149	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	128.9	177	-50.3	-175.6	0	0	0	108.7	L373 L380 I382 L385 L400 V417	L373-I415 HydrophobicContact CD2-CG2 4.25Å; L380-I415 HydrophobicContact CB-CD1 4.26Å; L380-I415 WeakPolarHBondContact O-CD1 3.35Å; I382-I415 HydrophobicContact CD1-CD1 4.09Å; I382-I415 HydrophobicContact CD1-CG1 3.79Å; I382-I415 HydrophobicContact CG1-CG1 4.48Å; L385-I415 HydrophobicContact CD1-CD1 3.45Å; L385-I415 VanDerWaalsContact CD1-CD1 3.45Å; L385-I415 HydrophobicContact CG-CD1 4.34Å; L400-I415 HydrophobicContact CD1-CD1 4.23Å; L400-I415 HydrophobicContact CD1-CG1 4.21Å; I415-V417 HydrophobicContact CG2-CG1 4.03Å
416	C	85.6	Confident	87	Confident	49 Å²	49	82.5 Å²	82.5	33%	0.331	41%	0.408	S	S	.	.			trans	-136	84.2	-173	-76.3	0	0	0	0	108.7	M405 K407 V414	M405-C416 PolarHBondContact O-N 3.44Å; K407-C416 HydrophobicContact CD-CB 4.05Å; K407-C416 HydrophobicContact CG-CB 3.94Å; V414-C416 PolarHBondContact O-N 2.84Å
417	V	86.7	Confident	86.6	Confident	48 Å²	48	88.9 Å²	88.9	29%	0.291	44%	0.435	S	S	.	.			trans	-136.5	150.2	-171.8	69.8	0	0	0	0	111	L373 M405 I415 L421 V422	L373-V417 HydrophobicContact CD1-CG1 4.48Å; L373-V417 HydrophobicContact CD2-CG1 4.26Å; M405-V417 HydrophobicContact CB-CB 4.39Å; M405-V417 HydrophobicContact CB-CG2 4.43Å; M405-V417 HydrophobicContact CE-CG2 3.77Å; M405-V417 HydrophobicContact CG-CB 4.33Å; M405-V417 HydrophobicContact CG-CG2 3.87Å; M405-V417 HydrophobicContact SD-CG2 3.73Å; I415-V417 HydrophobicContact CG2-CG1 4.03Å; V417-L421 HydrophobicContact CG2-CD2 4.44Å; V417-V422 HydrophobicContact CG2-CG2 3.51Å
418	T	85.7	Confident	86.2	Confident	80 Å²	80	84.6 Å²	84.6	49%	0.491	42%	0.422	S	S	.	.			trans	-113.2	150.8	170.8	68	0	0	0	0	109.9	K420 L421 V422	T418-K420 PolarHBondContact O-N 3.11Å; T418-L421 PolarHBondContact O-N 3.32Å; T418-L421 PolarHBondContact OG1-N 2.82Å; T418-V422 PolarHBondContact O-N 3.37Å
419	P	84.9	Confident	85.1	Confident	103 Å²	103	80.9 Å²	80.9	67%	0.669	42%	0.423	S	S	*	.	H	α-helix	trans	-56.3	-35.2	178.1	-27.2	35.6	0	0	0	113.3	L421 V422 E423	P419-L421 PolarHBondContact O-N 3.01Å; P419-V422 PolarHBondContact O-N 3.06Å; P419-E423 PolarHBondContact O-N 3.3Å
420	K	87.1	Confident	84.1	Confident	145 Å²	145	77.8 Å²	77.8	63%	0.63	42%	0.417	S	S	*	.	H	α-helix	trans	-59.3	-45.3	174.5	177.7	173.9	169.4	177.4	0	112	T418 E423 E424	T418-K420 PolarHBondContact O-N 3.11Å; K420-E423 PolarHBondContact O-N 2.59Å; K420-E424 WeakPolarHBondContact CE-OE1 3.39Å; K420-E424 HydrophobicContact CG-CG 4.46Å; K420-E424 IonicContact NZ-OE1 2.71Å; K420-E424 WeakPolarHBondContact O-CG 3.33Å; K420-E424 PolarHBondContact O-N 3.11Å
421	L	87	Confident	83.3	Confident	51 Å²	51	70 Å²	70	27%	0.267	38%	0.382	S	S	.	.	H	α-helix	trans	-66.6	-37	179.7	-173.9	64.6	0	0	0	111.9	M405 V417 T418 P419 E424 H425	M405-L421 HydrophobicContact CE-CB 4.47Å; M405-L421 HydrophobicContact CE-CD2 4.08Å; M405-L421 HydrophobicContact CE-CG 3.78Å; M405-L421 HydrophobicContact CG-CD2 4.18Å; V417-L421 HydrophobicContact CG2-CD2 4.44Å; T418-L421 PolarHBondContact O-N 3.32Å; T418-L421 PolarHBondContact OG1-N 2.82Å; P419-L421 PolarHBondContact O-N 3.01Å; L421-E424 PolarHBondContact O-N 3.26Å; L421-H425 PolarHBondContact O-CD2 2.88Å; L421-H425 VanDerWaalsContact O-CD2 3.31Å; L421-H425 PolarHBondContact O-N 3.44Å
422	V	86.6	Confident	82.3	Confident	1 Å²	1	74.3 Å²	74.3	1%	0.006	39%	0.387	C	S	.	.	H	α-helix	trans	-61.7	-47	173.8	-175.9	0	0	0	0	110.8	L370 L373 R374 M405 V417 T418 P419 E424 H425 L426	L370-V422 HydrophobicContact CB-CG1 4.36Å; L370-V422 HydrophobicContact CD2-CG1 4Å; L370-V422 VanDerWaalsContact O-CG1 3.27Å; L370-V422 WeakPolarHBondContact O-CG1 3.36Å; L373-V422 HydrophobicContact CB-CG1 4.46Å; L373-V422 HydrophobicContact CB-CG2 4.01Å; R374-V422 HydrophobicContact CB-CG1 3.88Å; M405-V422 HydrophobicContact CE-CG2 4.38Å; V417-V422 HydrophobicContact CG2-CG2 3.51Å; T418-V422 PolarHBondContact O-N 3.37Å; P419-V422 PolarHBondContact O-N 3.06Å; V422-E424 PolarHBondContact O-N 3.45Å; V422-H425 PolarHBondContact O-N 2.93Å; V422-L426 HydrophobicContact CG1-CD1 3.94Å; V422-L426 HydrophobicContact CG1-CG 4.36Å; V422-L426 WeakPolarHBondContact O-CB 3.36Å; V422-L426 WeakPolarHBondContact O-CG 3.46Å; V422-L426 PolarHBondContact O-N 2.9Å
423	E	85.5	Confident	81.4	Confident	70 Å²	70	72.9 Å²	72.9	33%	0.327	38%	0.379	S	S	.	.	H	α-helix	trans	-64	-37.9	177.9	-79.3	-65.5	133.5	0	0	113.2	R374 P419 K420 L426 K427	R374-E423 WeakPolarHBondContact CD-OE1 3.5Å; P419-E423 PolarHBondContact O-N 3.3Å; K420-E423 PolarHBondContact O-N 2.59Å; E423-L426 PolarHBondContact O-N 3.27Å; E423-K427 WeakPolarHBondContact O-CB 2.78Å; E423-K427 VanDerWaalsContact O-CD 3.31Å; E423-K427 WeakPolarHBondContact O-CD 3.38Å; E423-K427 VanDerWaalsContact O-CG 3.23Å; E423-K427 WeakPolarHBondContact O-CG 3.45Å; E423-K427 PolarHBondContact O-N 3.28Å; E423-K427 VanDerWaalsContact O-N 3.09Å; E423-K427 WeakPolarHBondContact OE2-CE 3.48Å; E423-K427 IonicContact OE2-NZ 3.11Å
424	E	87.3	Confident	80.2	Confident	99 Å²	99	70.5 Å²	70.5	46%	0.463	37%	0.369	S	S	.	.	H	α-helix	trans	-63.3	-42.6	174.2	-76.1	169.2	166.2	0	0	111.6	K420 L421 V422	K420-E424 WeakPolarHBondContact CE-OE1 3.39Å; K420-E424 HydrophobicContact CG-CG 4.46Å; K420-E424 IonicContact NZ-OE1 2.71Å; K420-E424 WeakPolarHBondContact O-CG 3.33Å; K420-E424 PolarHBondContact O-N 3.11Å; L421-E424 PolarHBondContact O-N 3.26Å; V422-E424 PolarHBondContact O-N 3.45Å
425	H	86.3	Confident	78.9	Confident	43 Å²	43	72.6 Å²	72.6	20%	0.199	38%	0.384	C	S	.	.	H	α-helix	trans	-67.3	-44.2	173.7	-85.8	-88.1	0	0	0	112.8	L370 L403 M405 L421 V422 K427 S428 Y431	L370-H425 HydrophobicContact CD1-CB 3.77Å; L370-H425 HydrophobicContact CD2-CB 3.69Å; L370-H425 HydrophobicContact CG-CB 4.42Å; L403-H425 WeakPolarHBondContact CD2-CE1 3.26Å; L403-H425 WeakPolarHBondContact CD2-ND1 3.22Å; L403-H425 WeakPolarHBondContact CD2-NE2 3.11Å; M405-H425 HydrophobicContact CE-CB 4.46Å; L421-H425 PolarHBondContact O-CD2 2.88Å; L421-H425 VanDerWaalsContact O-CD2 3.31Å; L421-H425 PolarHBondContact O-N 3.44Å; V422-H425 PolarHBondContact O-N 2.93Å; H425-K427 PolarHBondContact O-N 3.39Å; H425-S428 VanDerWaalsContact O-CB 3.28Å; H425-S428 WeakPolarHBondContact O-CB 3.47Å; H425-S428 PolarHBondContact O-N 2.8Å; H425-Y431 AromaticContact CE1-CD2 3.28Å; H425-Y431 WeakPolarHBondContact CE1-CD2 3.48Å; H425-Y431 AromaticContact CE1-CE2 2.83Å; H425-Y431 WeakPolarHBondContact CE1-CE2 3.41Å; H425-Y431 AromaticContact CE1-CZ 3.63Å; H425-Y431 AromaticContact ND1-CE2 3.82Å; H425-Y431 WeakPolarHBondContact O-CD2 3.44Å
426	L	83.6	Confident	77.8	Confident	29 Å²	29	72.9 Å²	72.9	15%	0.152	39%	0.385	C	S	.	.	H	α-helix	trans	-64.6	-25.2	179.9	-76.4	175.4	0	0	0	113.7	L370 R374 V422 E423 S428	L370-L426 HydrophobicContact CB-CD2 3.61Å; L370-L426 HydrophobicContact CB-CG 3.95Å; L370-L426 HydrophobicContact CD1-CD2 4.26Å; R374-L426 HydrophobicContact CB-CD1 4.03Å; R374-L426 HydrophobicContact CG-CD1 4.19Å; V422-L426 HydrophobicContact CG1-CD1 3.94Å; V422-L426 HydrophobicContact CG1-CG 4.36Å; V422-L426 WeakPolarHBondContact O-CB 3.36Å; V422-L426 WeakPolarHBondContact O-CG 3.46Å; V422-L426 PolarHBondContact O-N 2.9Å; E423-L426 PolarHBondContact O-N 3.27Å; L426-S428 VanDerWaalsContact C-N 3.33Å
427	K	83.8	Confident	76.6	Confident	152 Å²	152	73 Å²	73	66%	0.661	38%	0.384	S	S	*	.	H	α-helix	trans	-76.1	-18.3	173.8	-72.9	163.3	-168.3	168.7	0	113.4	E423 H425	E423-K427 WeakPolarHBondContact O-CB 2.78Å; E423-K427 VanDerWaalsContact O-CD 3.31Å; E423-K427 WeakPolarHBondContact O-CD 3.38Å; E423-K427 VanDerWaalsContact O-CG 3.23Å; E423-K427 WeakPolarHBondContact O-CG 3.45Å; E423-K427 PolarHBondContact O-N 3.28Å; E423-K427 VanDerWaalsContact O-N 3.09Å; E423-K427 WeakPolarHBondContact OE2-CE 3.48Å; E423-K427 IonicContact OE2-NZ 3.11Å; H425-K427 PolarHBondContact O-N 3.39Å
428	S	80.1	Confident	74.9	Confident	47 Å²	47	71 Å²	71	33%	0.329	37%	0.373	S	S	.	.	S	Bend	trans	-66.3	136.9	175.9	178.3	0	0	0	0	111.7	H425 L426 Q430 Y431	H425-S428 VanDerWaalsContact O-CB 3.28Å; H425-S428 WeakPolarHBondContact O-CB 3.47Å; H425-S428 PolarHBondContact O-N 2.8Å; L426-S428 VanDerWaalsContact C-N 3.33Å; S428-Q430 PolarHBondContact O-N 3.06Å; S428-Q430 PolarHBondContact OG-N 3.19Å; S428-Y431 PolarHBondContact O-N 3.26Å; S428-Y431 VanDerWaalsContact O-N 3.11Å
429	A	65.4	Low	73.1	Confident	78 Å²	78	68.4 Å²	68.4	65%	0.645	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-56.8	-25.1	178.8	0	0	0	0	0	113.7
430	Q	66.2	Low	71.6	Confident	114 Å²	114	65.3 Å²	65.3	53%	0.533	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-70.5	-27	-179.8	-170.4	176.6	18.9	0	0	114.1	S363 S428	S363-Q430 PolarHBondContact OG-O 3.34Å; S428-Q430 PolarHBondContact O-N 3.06Å; S428-Q430 PolarHBondContact OG-N 3.19Å
431	Y	69.1	Low	69.4	Low	24 Å²	24	59.2 Å²	59.2	9%	0.094	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-113.3	16.5	-172.6	-53.7	-60.9	0	0	0	113.1	S366 L370 L403 H425 S428	S366-Y431 VanDerWaalsContact CB-CD1 3.47Å; L370-Y431 HydrophobicContact CD1-CD1 4.49Å; L370-Y431 HydrophobicContact CD1-CD2 4.38Å; L370-Y431 HydrophobicContact CD1-CG 4.04Å; L403-Y431 HydrophobicContact CD2-CE1 4.47Å; L403-Y431 HydrophobicContact CD2-CE2 4.35Å; H425-Y431 AromaticContact CE1-CD2 3.28Å; H425-Y431 WeakPolarHBondContact CE1-CD2 3.48Å; H425-Y431 AromaticContact CE1-CE2 2.83Å; H425-Y431 WeakPolarHBondContact CE1-CE2 3.41Å; H425-Y431 AromaticContact CE1-CZ 3.63Å; H425-Y431 AromaticContact ND1-CE2 3.82Å; H425-Y431 WeakPolarHBondContact O-CD2 3.44Å; S428-Y431 PolarHBondContact O-N 3.26Å; S428-Y431 VanDerWaalsContact O-N 3.11Å
432	K	64.5	Low	67.1	Low	137 Å²	137	59.6 Å²	59.6	60%	0.596	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-56.6	142.1	173.3	-75.2	179.8	172.6	179.9	0	111.8
433	K	65.6	Low	64.8	Low	111 Å²	111	60.5 Å²	60.5	48%	0.483	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-49.4	136.4	175	-175.7	166.4	-175.2	155	0	110.9	W367 T437	W367-K433 HydrophobicContact CZ2-CG 3.96Å; K433-T437 HydrophobicContact CG-CG2 4.33Å
434	P	64.8	Low	62.7	Low	11 Å²	11	58.5 Å²	58.5	7%	0.071	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-54.7	135.5	175	-24.4	32.8	0	0	0	110.8	K330 W367 I436 T437	K330-P434 HydrophobicContact CB-CB 4.35Å; K330-P434 HydrophobicContact CB-CG 4.44Å; K330-P434 HydrophobicContact CD-CB 4.39Å; K330-P434 HydrophobicContact CD-CG 4.04Å; W367-P434 HydrophobicContact CD2-CG 4.16Å; W367-P434 VanDerWaalsContact CE2-CD 3.48Å; W367-P434 HydrophobicContact CE3-CG 3.73Å; W367-P434 HydrophobicContact CH2-CG 4.06Å; W367-P434 HydrophobicContact CZ2-CG 4.45Å; W367-P434 HydrophobicContact CZ3-CG 3.68Å; P434-I436 VanDerWaalsContact C-N 3.29Å; P434-I436 PolarHBondContact O-N 3.02Å; P434-T437 HydrophobicContact CB-CG2 4.42Å; P434-T437 WeakPolarHBondContact O-CG2 3.4Å
435	P	60.8	Low	60.1	Low	103 Å²	103	56 Å²	56	67%	0.669	32%	0.319	S	S	*	.	S	Bend	trans	-65.5	-37.1	178.9	25.5	-32.9	0	0	0	111.1
436	I	66.9	Low	57.6	Low	36 Å²	36	63.5 Å²	63.5	19%	0.185	35%	0.346	C	S	.	.	S	Bend	trans	-95.2	101.4	176	-51.8	173.6	0	0	0	108	Y328 F331 P434	Y328-I436 HydrophobicContact CD1-CD1 3.27Å; Y328-I436 HydrophobicContact CE1-CD1 3.13Å; Y328-I436 HydrophobicContact CE2-CD1 4.43Å; Y328-I436 HydrophobicContact CG-CD1 4.01Å; F331-I436 HydrophobicContact CB-CG2 4.41Å; F331-I436 HydrophobicContact CD2-CB 4.46Å; F331-I436 HydrophobicContact CD2-CG2 3.62Å; F331-I436 HydrophobicContact CE2-CG2 4.25Å; F331-I436 HydrophobicContact CG-CG2 4.22Å; P434-I436 VanDerWaalsContact C-N 3.29Å; P434-I436 PolarHBondContact O-N 3.02Å
437	T	59.9	Low	55.2	Low	50 Å²	50	64.6 Å²	64.6	31%	0.307	37%	0.365	S	S	.	.			trans	-108.2	123.3	170	57.5	0	0	0	0	110.7	K243 K433 P434 G439	K243-T437 PolarHBondContact NZ-O 3.41Å; K433-T437 HydrophobicContact CG-CG2 4.33Å; P434-T437 HydrophobicContact CB-CG2 4.42Å; P434-T437 WeakPolarHBondContact O-CG2 3.4Å; T437-G439 PolarHBondContact O-N 3.41Å; T437-G439 VanDerWaalsContact O-N 3.11Å
438	G	52.9	Low	52.7	Low	6 Å²	6	65.8 Å²	65.8	6%	0.062	37%	0.365	C	S	.	.			trans	-64.3	-14.6	175.6	0	0	0	0	0	114	Y241 K243	Y241-G438 WeakPolarHBondContact OH-CA 3.49Å; K243-G438 VanDerWaalsContact CD-O 3.31Å; K243-G438 WeakPolarHBondContact CD-O 3.32Å; K243-G438 PolarHBondContact NZ-O 3.13Å
439	G	48	Very low	50.9	Low	26 Å²	26	71.1 Å²	71.1	27%	0.268	38%	0.378	S	S	.	.	S	Bend	trans	126.2	-20.7	-179.6	0	0	0	0	0	112	T437 G441 A442	T437-G439 PolarHBondContact O-N 3.41Å; T437-G439 VanDerWaalsContact O-N 3.11Å; G439-G441 VanDerWaalsContact C-N 3.33Å; G439-G441 PolarHBondContact O-N 2.91Å; G439-A442 PolarHBondContact O-N 3.29Å
440	W	53.1	Low	49.2	Very low	39 Å²	39	71 Å²	71	15%	0.148	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-50.4	-41.5	-176	-38.7	102.6	0	0	0	114.7	Y241 E338 A442 A443 V444 I454	Y241-W440 HydrophobicContact CD2-CZ2 4.35Å; Y241-W440 HydrophobicContact CE2-CZ2 4.28Å; E338-W440 HydrophobicContact CB-CE3 4.27Å; E338-W440 HydrophobicContact CB-CH2 3.85Å; E338-W440 HydrophobicContact CB-CZ2 4.21Å; E338-W440 HydrophobicContact CB-CZ3 3.88Å; E338-W440 VanDerWaalsContact CD-CE3 3.45Å; E338-W440 HydrophobicContact CG-CD2 3.59Å; E338-W440 HydrophobicContact CG-CE3 3.58Å; E338-W440 HydrophobicContact CG-CG 4.13Å; E338-W440 HydrophobicContact CG-CH2 3.9Å; E338-W440 HydrophobicContact CG-CZ2 3.94Å; E338-W440 HydrophobicContact CG-CZ3 3.73Å; W440-A442 PolarHBondContact O-N 2.85Å; W440-A443 PolarHBondContact O-N 3.13Å; W440-V444 PolarHBondContact O-N 2.84Å; W440-I454 HydrophobicContact CH2-CD1 3.38Å; W440-I454 HydrophobicContact CZ2-CD1 4.36Å; W440-I454 HydrophobicContact CZ3-CD1 3.51Å
441	G	40.3	Very low	47.6	Very low	17 Å²	17	69.3 Å²	69.3	18%	0.175	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-69.6	17.7	-178.2	0	0	0	0	0	116.4	G439	G439-G441 VanDerWaalsContact C-N 3.33Å; G439-G441 PolarHBondContact O-N 2.91Å
442	A	38.9	Very low	46	Very low	59 Å²	59	70.3 Å²	70.3	49%	0.488	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-124	-11.3	164.1	0	0	0	0	0	112.8	G439 W440 R446	G439-A442 PolarHBondContact O-N 3.29Å; W440-A442 PolarHBondContact O-N 2.85Å; A442-R446 WeakPolarHBondContact O-CD 3.48Å; A442-R446 WeakPolarHBondContact O-CG 3.12Å
443	A	38.9	Very low	44.5	Very low	19 Å²	19	68.1 Å²	68.1	16%	0.157	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-42	-179.1	0	0	0	0	0	112.1	W440 C445 R446 G447 V452	W440-A443 PolarHBondContact O-N 3.13Å; A443-C445 PolarHBondContact O-N 2.86Å; A443-C445 VanDerWaalsContact O-N 3.15Å; A443-R446 PolarHBondContact O-N 3.38Å; A443-G447 PolarHBondContact O-N 2.94Å; A443-V452 HydrophobicContact CB-CG2 3.87Å
444	V	39.9	Very low	43.2	Very low	28 Å²	28	65.7 Å²	65.7	17%	0.17	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-42.3	-179.3	177.7	0	0	0	0	112	I372 M388 W440	I372-V444 HydrophobicContact CD1-CG1 3.96Å; I372-V444 HydrophobicContact CG1-CG1 3.78Å; M388-V444 HydrophobicContact CE-CG1 4.49Å; W440-V444 PolarHBondContact O-N 2.84Å
445	C	33.7	Very low	42.3	Very low	47 Å²	47	72.2 Å²	72.2	32%	0.318	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	8.1	-176.9	-55.5	0	0	0	0	114.6	D375 A443	D375-C445 HydrophobicContact CB-CB 3.88Å; D375-C445 WeakPolarHBondContact OD2-CB 3.28Å; D375-C445 PolarHBondContact OD2-SG 3.09Å; A443-C445 PolarHBondContact O-N 2.86Å; A443-C445 VanDerWaalsContact O-N 3.15Å
446	R	33.3	Very low	40.7	Very low	200 Å²	200	75 Å²	75	76%	0.755	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126	-3.6	-176.7	-66.7	-170.6	-173.8	-133.9	1.8	115.3	A442 A443 R448	A442-R446 WeakPolarHBondContact O-CD 3.48Å; A442-R446 WeakPolarHBondContact O-CG 3.12Å; A443-R446 PolarHBondContact O-N 3.38Å; R446-R448 PolarHBondContact O-N 2.95Å
447	G	32.5	Very low	38.9	Very low	53 Å²	53	76.5 Å²	76.5	55%	0.546	46%	0.458	S	S	.	.			trans	63.7	1	-177.7	0	0	0	0	0	115.6	A443 W449	A443-G447 PolarHBondContact O-N 2.94Å; G447-W449 VanDerWaalsContact C-N 3.31Å; G447-W449 PolarHBondContact O-N 2.91Å; G447-W449 VanDerWaalsContact O-N 3.07Å
448	R	31.9	Very low	37.5	Very low	177 Å²	177	85.3 Å²	85.3	67%	0.668	49%	0.486	S	S	*	.			trans	-84.7	72.4	175.8	-78.1	-163.5	174.9	-151.1	2.2	111	R446 G450	R446-R448 PolarHBondContact O-N 2.95Å; R448-G450 PolarHBondContact O-N 2.72Å
449	W	41.9	Very low	36.6	Very low	158 Å²	158	90 Å²	90	60%	0.598	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-61	-31	173.4	-61.4	95.7	0	0	0	112.6	K341 G447 S451	K341-W449 HydrophobicContact CD-CZ3 4.27Å; G447-W449 VanDerWaalsContact C-N 3.31Å; G447-W449 PolarHBondContact O-N 2.91Å; G447-W449 VanDerWaalsContact O-N 3.07Å; W449-S451 PolarHBondContact O-N 2.66Å
450	G	30.8	Very low	35.6	Very low	76 Å²	76	98.2 Å²	98.2	78%	0.784	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-94.7	38.3	-178.4	0	0	0	0	0	116.2	R448	R448-G450 PolarHBondContact O-N 2.72Å
451	S	31.2	Very low	34.4	Very low	79 Å²	79	99.9 Å²	99.9	55%	0.552	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-147	9.4	177.2	-55.9	0	0	0	0	116.1	W449	W449-S451 PolarHBondContact O-N 2.66Å
452	V	36.2	Very low	33.6	Very low	45 Å²	45	106.3 Å²	106.3	27%	0.273	61%	0.608	S	S	.	*	S	Bend	trans	-79.6	131.5	156.9	-176.1	0	0	0	0	106.3	A443 I454	A443-V452 HydrophobicContact CB-CG2 3.87Å; V452-I454 HydrophobicContact CB-CG1 4.35Å; V452-I454 HydrophobicContact CG1-CD1 4.24Å; V452-I454 HydrophobicContact CG1-CG1 3.99Å; V452-I454 PolarHBondContact O-N 2.73Å
453	G	32.3	Very low	32.8	Very low	90 Å²	90	111.1 Å²	111.1	93%	0.928	63%	0.625	S	S	*	*			trans	-72.5	70.2	-172	0	0	0	0	0	113.9
454	I	39.8	Very low	32.2	Very low	61 Å²	61	116.8 Å²	116.8	31%	0.313	65%	0.651	S	S	.	*			trans	-110.9	135.9	174.5	-37.1	177	0	0	0	107.5	W440 V452	W440-I454 HydrophobicContact CH2-CD1 3.38Å; W440-I454 HydrophobicContact CZ2-CD1 4.36Å; W440-I454 HydrophobicContact CZ3-CD1 3.51Å; V452-I454 HydrophobicContact CB-CG1 4.35Å; V452-I454 HydrophobicContact CG1-CD1 4.24Å; V452-I454 HydrophobicContact CG1-CG1 3.99Å; V452-I454 PolarHBondContact O-N 2.73Å
455	W	45.9	Very low	31.3	Very low	148 Å²	148	120.5 Å²	120.5	56%	0.561	67%	0.674	S	S	*	*			trans	68.2	87.2	177.1	-49.5	115.6	0	0	0	117.7	I240 A457	I240-W455 HydrophobicContact CB-CH2 4.43Å; I240-W455 HydrophobicContact CG2-CH2 4.42Å; W455-A457 VanDerWaalsContact C-N 3.31Å; W455-A457 HydrophobicContact CE3-CB 4.14Å
456	T	27.3	Very low	30.8	Very low	160 Å²	160	124.9 Å²	124.9	98%	0.982	70%	0.699	S	S	*	*			trans	-95.3	57.7	138.8	52.6	0	0	0	0	110.5
457	A	28.4	Very low	30.6	Very low	69 Å²	69	124.8 Å²	124.8	57%	0.57	72%	0.721	S	S	*	*			trans	-139	114.3	167.7	0	0	0	0	0	108	W455	W455-A457 VanDerWaalsContact C-N 3.31Å; W455-A457 HydrophobicContact CE3-CB 4.14Å
458	R	31.6	Very low	30.5	Very low	234 Å²	234	128.4 Å²	128.4	88%	0.883	73%	0.73	S	S	*	*			trans	-94.8	128.2	-165.9	-116.2	-173.3	-177.7	177.1	-0.3	112.3	Q460	R458-Q460 PolarHBondContact O-N 2.71Å
459	S	32.3	Very low	30.5	Very low	106 Å²	106	125.8 Å²	125.8	74%	0.741	73%	0.733	S	S	*	*			trans	27.3	76.6	134.2	64.7	0	0	0	0	117.8
460	Q	27.8	Very low	29.8	Very low	197 Å²	197	124.1 Å²	124.1	92%	0.921	74%	0.74	S	S	*	*			trans	-143.8	132.2	150.7	-61.7	-174.5	6	0	0	106.7	R458	R458-Q460 PolarHBondContact O-N 2.71Å
461	G	27.3	Very low	29.8	Very low	75 Å²	75	126.9 Å²	126.9	77%	0.773	74%	0.738	S	S	*	*			cis	169.7	97.5	-9	0	0	0	0	0	110.3
462	L	23.8	Very low	29.7	Very low	152 Å²	152	129.9 Å²	129.9	80%	0.796	75%	0.75	S	S	*	*			trans	-138.3	92.1	176.3	-159.7	73.7	0	0	0	110.7	I464	L462-I464 HydrophobicContact CD2-CD1 3.93Å; L462-I464 HydrophobicContact CD2-CG1 4.05Å; L462-I464 HydrophobicContact CG-CD1 4.5Å; L462-I464 HydrophobicContact CG-CG1 4.07Å; L462-I464 PolarHBondContact O-N 3.17Å
463	L	23.2	Very low	29.3	Very low	160 Å²	160	135.5 Å²	135.5	84%	0.838	78%	0.781	S	S	*	*			trans	-82.5	87.3	174.2	-171.1	81.8	0	0	0	108.9	T465	L463-T465 HydrophobicContact CD2-CG2 4.14Å; L463-T465 HydrophobicContact CG-CG2 4.35Å; L463-T465 PolarHBondContact O-N 3.07Å; L463-T465 VanDerWaalsContact O-N 3.14Å
464	I	25.2	Very low	29.1	Very low	138 Å²	138	138.8 Å²	138.8	71%	0.708	77%	0.771	S	S	*	*			trans	-78.8	95	168.5	-57.7	-177.7	0	0	0	107.7	L462	L462-I464 HydrophobicContact CD2-CD1 3.93Å; L462-I464 HydrophobicContact CD2-CG1 4.05Å; L462-I464 HydrophobicContact CG-CD1 4.5Å; L462-I464 HydrophobicContact CG-CG1 4.07Å; L462-I464 PolarHBondContact O-N 3.17Å
465	T	21	Very low	28.2	Very low	105 Å²	105	144.8 Å²	144.8	64%	0.644	81%	0.806	S	S	*	*			trans	-66.2	127.6	165.7	43.5	0	0	0	0	109.6	L463	L463-T465 HydrophobicContact CD2-CG2 4.14Å; L463-T465 HydrophobicContact CG-CG2 4.35Å; L463-T465 PolarHBondContact O-N 3.07Å; L463-T465 VanDerWaalsContact O-N 3.14Å
466	V	23.3	Very low	26.8	Very low	139 Å²	139	144.5 Å²	144.5	84%	0.842	83%	0.827	S	S	*	*			trans	-78.5	133.6	173.1	-178.7	0	0	0	0	109.7
467	T	29.9	Very low	26.7	Very low	199 Å²	199	143.1 Å²	143.1	100%	1.221	81%	0.812	S	S	*	*			trans	-138	0	163.3	55.2	0	0	0	0	108.3

Retrieved 467 of 467 residues in 127 ms (Link to these results)

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