A0A087YCA1_POEFO Loading...

Protein XRP2

Acts as a GTPase-activating protein (GAP) for tubulin in concert with tubulin-specific chaperone C, but does not enhance tubulin heterodimerization.

AlphaFold DB , UniProt , Accession A0A087YCA1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 370 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	36.6	Very low	32.1	Very low	247 Å²	247	168.6 Å²	168.6	100%	1.217	84%	0.843	S	S	*	*				0	92.9	0	-69.8	-172.6	-91.5	0	0	106.1
2	G	30.3	Very low	31.9	Very low	73 Å²	73	172.4 Å²	172.4	75%	0.753	85%	0.85	S	S	*	*				74.4	124.9	68.3	0	0	0	0	0	108.9
3	C	31.8	Very low	31.7	Very low	114 Å²	114	167.8 Å²	167.8	77%	0.77	85%	0.846	S	S	*	*			cis	-169.2	150	6	-98.3	0	0	0	0	108.3
4	F	31	Very low	31.7	Very low	174 Å²	174	163.6 Å²	163.6	76%	0.763	85%	0.85	S	S	*	*			trans	41.6	130.9	139.6	-73.1	-95.5	0	0	0	122.8
5	F	35.4	Very low	31.6	Very low	215 Å²	215	164.2 Å²	164.2	94%	0.943	85%	0.847	S	S	*	*				-157.4	140.8	103.2	-105.8	-76.5	0	0	0	113.2
6	S	31.8	Very low	31.4	Very low	85 Å²	85	164.9 Å²	164.9	59%	0.594	84%	0.841	S	S	*	*			trans	-100.3	154.1	-178.3	152.7	0	0	0	0	110.4
7	K	34.8	Very low	31.3	Very low	215 Å²	215	165.9 Å²	165.9	94%	0.935	84%	0.842	S	S	*	*			trans	-155.7	119.4	141.4	-105.3	171.2	-166.5	-177.9	0	111.7
8	K	30	Very low	31	Very low	197 Å²	197	165.7 Å²	165.7	86%	0.857	84%	0.843	S	S	*	*			trans	-85.2	171.8	172	-87.7	-179.6	173.2	177.5	0	111.8
9	S	30.3	Very low	31	Very low	97 Å²	97	165.9 Å²	165.9	68%	0.678	85%	0.846	S	S	*	*			trans	108.9	130.9	144.3	-176.8	0	0	0	0	114.6
10	K	30.8	Very low	30.9	Very low	196 Å²	196	164.2 Å²	164.2	85%	0.852	84%	0.844	S	S	*	*			cis	-161.9	140.4	17	-123.8	162.2	-158.2	179.1	0	110.1
11	R	30.5	Very low	31	Very low	242 Å²	242	162.5 Å²	162.5	91%	0.913	84%	0.843	S	S	*	*			trans	-78.2	149.7	155.9	-96.5	177.5	169.7	171.8	-3.7	109.2
12	K	29.3	Very low	30.6	Very low	214 Å²	214	156.9 Å²	156.9	93%	0.93	82%	0.823	S	S	*	*			trans	-147	113.5	156.6	-147.8	179	-175.4	-171.6	0	110.7
13	S	30.3	Very low	30.5	Very low	113 Å²	113	159.3 Å²	159.3	79%	0.79	82%	0.824	S	S	*	*			trans	-89.4	153.1	165.2	26.5	0	0	0	0	109.7
14	A	31.5	Very low	30.4	Very low	109 Å²	109	160.9 Å²	160.9	90%	0.901	83%	0.83	S	S	*	*			trans	-153.8	124.3	160.9	0	0	0	0	0	109.6
15	E	29.3	Very low	30.2	Very low	172 Å²	172	158.2 Å²	158.2	80%	0.804	83%	0.833	S	S	*	*			trans	-101.3	157.6	169.9	-99.9	-171.8	148.4	0	0	110
16	K	29.4	Very low	30	Very low	175 Å²	175	152.8 Å²	152.8	76%	0.761	83%	0.828	S	S	*	*			trans	70	141	161.1	-73.6	171.5	176	177.4	0	116.2
17	E	28.6	Very low	29.8	Very low	183 Å²	183	156.3 Å²	156.3	86%	0.855	84%	0.84	S	S	*	*			cis	-163.3	159	43.7	-138.4	158.6	-145.3	0	0	112.2
18	N	26.3	Very low	29.6	Very low	162 Å²	162	153.2 Å²	153.2	87%	0.866	84%	0.839	S	S	*	*			trans	-72.4	135.1	177.2	-78.7	-36.7	0	0	0	113.1
19	L	30.6	Very low	29.6	Very low	170 Å²	170	149 Å²	149	89%	0.89	84%	0.841	S	S	*	*			trans	-141	114.6	159.5	-79	166.7	0	0	0	110.7
20	T	29.7	Very low	29.6	Very low	131 Å²	131	148 Å²	148	80%	0.804	85%	0.846	S	S	*	*			trans	-66	147.6	166	35	0	0	0	0	112.2
21	P	33.8	Very low	29.5	Very low	128 Å²	128	146.6 Å²	146.6	83%	0.831	85%	0.848	S	S	*	*			trans	-111.1	128.3	154.5	20.3	-2.4	0	0	0	112
22	T	27.7	Very low	29.6	Very low	129 Å²	129	140.7 Å²	140.7	79%	0.791	84%	0.844	S	S	*	*			trans	-77.7	145.2	170.6	-27.6	0	0	0	0	110.5
23	T	28.4	Very low	29.7	Very low	125 Å²	125	136.9 Å²	136.9	77%	0.767	84%	0.838	S	S	*	*			trans	-26.4	140.6	170.7	48	0	0	0	0	119.4
24	T	28.7	Very low	30.3	Very low	147 Å²	147	136.5 Å²	136.5	90%	0.902	83%	0.833	S	S	*	*			trans	-149	134.6	132.8	28.2	0	0	0	0	111.3
25	S	28	Very low	30.2	Very low	117 Å²	117	139.9 Å²	139.9	82%	0.818	84%	0.835	S	S	*	*			trans	-83.7	147.6	-179.1	46.6	0	0	0	0	113.3
26	A	31.1	Very low	30.5	Very low	102 Å²	102	134.7 Å²	134.7	84%	0.843	83%	0.828	S	S	*	*			trans	-168.5	130.4	140.5	0	0	0	0	0	111.4
27	D	27.2	Very low	30.7	Very low	158 Å²	158	134 Å²	134	85%	0.845	83%	0.832	S	S	*	*			trans	-66.3	151.5	-179	-60.9	-61.2	0	0	0	114.5
28	T	31	Very low	31.4	Very low	151 Å²	151	132.9 Å²	132.9	93%	0.926	83%	0.832	S	S	*	*				-167.1	140	123.2	11.3	0	0	0	0	112.2
29	A	29.4	Very low	32	Very low	107 Å²	107	130.7 Å²	130.7	88%	0.884	83%	0.825	S	S	*	*			trans	-79.3	151.3	-166.6	0	0	0	0	0	115
30	G	29.3	Very low	32.8	Very low	76 Å²	76	130.3 Å²	130.3	78%	0.784	82%	0.824	S	S	*	*			trans	-163.1	99.9	165.3	0	0	0	0	0	111.1
31	N	29.9	Very low	33.9	Very low	167 Å²	167	131.9 Å²	131.9	89%	0.893	82%	0.822	S	S	*	*			trans	-65.9	129.1	-179.6	-83	-22.8	0	0	0	113.3
32	S	31.6	Very low	35	Very low	119 Å²	119	129.8 Å²	129.8	83%	0.832	82%	0.816	S	S	*	*			trans	-160.8	139.6	138.8	55.2	0	0	0	0	110.7
33	V	32.7	Very low	36.6	Very low	133 Å²	133	129.4 Å²	129.4	81%	0.806	82%	0.815	S	S	*	*			trans	-133.2	156.2	-177.1	-177.2	0	0	0	0	105.9
34	P	41.9	Very low	38.1	Very low	106 Å²	106	130.8 Å²	130.8	69%	0.688	81%	0.81	S	S	*	*			cis	-126.8	169.6	-36.9	36	-20.4	0	0	0	111.7
35	L	30.5	Very low	39	Very low	180 Å²	180	130.1 Å²	130.1	94%	0.942	80%	0.797	S	S	*	*			trans	-142.3	117.4	147.9	-102	121.3	0	0	0	108.9
36	G	34	Very low	40.8	Very low	63 Å²	63	129.9 Å²	129.9	65%	0.649	78%	0.779	S	S	*	*			trans	-69.4	151.9	179.3	0	0	0	0	0	112.3
37	N	33.6	Very low	42	Very low	160 Å²	160	129.7 Å²	129.7	86%	0.856	77%	0.772	S	S	*	*				-161.4	113.7	129.6	-100.1	-10.8	0	0	0	109.1	T39	N37-T39 PolarHBondContact O-N 3.24Å
38	N	43.3	Very low	43.4	Very low	159 Å²	159	129.5 Å²	129.5	85%	0.85	76%	0.759	S	S	*	*			trans	-66.8	115	158.6	-83.7	-20.8	0	0	0	108
39	T	39.4	Very low	44.8	Very low	117 Å²	117	126.7 Å²	126.7	72%	0.718	74%	0.738	S	S	*	*			trans	-141.6	88.6	148.9	45.6	0	0	0	0	107	N37 E41	N37-T39 PolarHBondContact O-N 3.24Å; T39-E41 PolarHBondContact O-N 2.96Å
40	D	47.5	Very low	46.1	Very low	162 Å²	162	128.8 Å²	128.8	87%	0.866	73%	0.728	S	S	*	*			trans	-63.9	89.6	155.4	-76.8	-39.7	0	0	0	106.8	A42	D40-A42 PolarHBondContact O-N 3.16Å; D40-A42 VanDerWaalsContact O-N 3.15Å
41	E	53.2	Low	47.4	Very low	163 Å²	163	134.8 Å²	134.8	76%	0.762	73%	0.727	S	S	*	*			trans	-63.2	112.7	166.4	-93	-169.2	155.5	0	0	107.7	T39	T39-E41 PolarHBondContact O-N 2.96Å
42	A	57	Low	48.9	Very low	85 Å²	85	135.7 Å²	135.7	70%	0.702	73%	0.725	S	S	*	*			trans	-51	135	169	0	0	0	0	0	109.2	D40 K44	D40-A42 PolarHBondContact O-N 3.16Å; D40-A42 VanDerWaalsContact O-N 3.15Å; A42-K44 PolarHBondContact O-N 3.25Å
43	P	60.2	Low	50.5	Low	121 Å²	121	139.9 Å²	139.9	79%	0.786	73%	0.729	S	S	*	*			trans	-57	132	-175	20.6	-30.6	0	0	0	110.1	Q45	P43-Q45 PolarHBondContact O-N 3.19Å
44	K	60.4	Low	52.3	Low	153 Å²	153	136.3 Å²	136.3	67%	0.665	71%	0.713	S	S	*	*			trans	-54	107.4	179	-71.7	178.6	-179.5	173.5	0	109.3	A42 Y46	A42-K44 PolarHBondContact O-N 3.25Å; K44-Y46 HydrophobicContact CB-CE2 4.07Å; K44-Y46 WeakPolarHBondContact O-CD2 3.41Å; K44-Y46 VanDerWaalsContact O-CE2 3.25Å; K44-Y46 WeakPolarHBondContact O-CE2 3.41Å
45	Q	47.1	Very low	54.2	Low	134 Å²	134	134.7 Å²	134.7	63%	0.626	70%	0.698	S	S	*	*			trans	-82.6	115.2	176.7	-168.3	178.6	14.5	0	0	108.4	P43 D49	P43-Q45 PolarHBondContact O-N 3.19Å; Q45-D49 HydrophobicContact CG-CB 4.23Å
46	Y	66.5	Low	56.6	Low	111 Å²	111	130.8 Å²	130.8	44%	0.435	68%	0.684	S	S	.	*			trans	-90.9	157.7	-178.4	-62.5	-86.3	0	0	0	110.8	K44 W48 D49	K44-Y46 HydrophobicContact CB-CE2 4.07Å; K44-Y46 WeakPolarHBondContact O-CD2 3.41Å; K44-Y46 VanDerWaalsContact O-CE2 3.25Å; K44-Y46 WeakPolarHBondContact O-CE2 3.41Å; Y46-W48 VanDerWaalsContact CB-CD2 3.49Å; Y46-W48 AromaticContact CD1-CH2 3.25Å; Y46-W48 HydrophobicContact CD1-CH2 3.25Å; Y46-W48 AromaticContact CD1-CZ2 3.29Å; Y46-W48 HydrophobicContact CD1-CZ2 3.29Å; Y46-W48 HydrophobicContact CD1-CZ3 4.06Å; Y46-W48 AromaticContact CD2-CE2 3.98Å; Y46-W48 HydrophobicContact CD2-CH2 4.45Å; Y46-W48 AromaticContact CD2-CZ2 3.64Å; Y46-W48 HydrophobicContact CD2-CZ2 3.64Å; Y46-W48 AromaticContact CE1-CH2 3.95Å; Y46-W48 HydrophobicContact CE1-CH2 3.95Å; Y46-W48 AromaticContact CE1-CZ2 3.97Å; Y46-W48 HydrophobicContact CE1-CZ2 3.97Å; Y46-W48 HydrophobicContact CE2-CZ2 4.27Å; Y46-W48 HydrophobicContact CG-CD2 4.31Å; Y46-W48 AromaticContact CG-CE2 3.5Å; Y46-W48 AromaticContact CG-CH2 3.56Å; Y46-W48 HydrophobicContact CG-CH2 3.56Å; Y46-W48 AromaticContact CG-CZ2 3.1Å; Y46-W48 HydrophobicContact CG-CZ2 3.1Å; Y46-W48 HydrophobicContact CG-CZ3 4.3Å; Y46-W48 AromaticContact CG-NE1 3.92Å; Y46-W48 PolarHBondContact O-N 2.94Å; Y46-W48 VanDerWaalsContact O-N 3.08Å; Y46-D49 PolarHBondContact N-OD2 3.26Å; Y46-D49 WeakPolarHBondContact O-CB 3.5Å; Y46-D49 PolarHBondContact O-N 3.4Å
47	S	56.5	Low	59.1	Low	98 Å²	98	135.2 Å²	135.2	69%	0.685	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-20.6	-178.7	59.3	0	0	0	0	113.7
48	W	57.7	Low	61.7	Low	155 Å²	155	131.2 Å²	131.2	59%	0.587	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-18.4	173.4	53.4	78.2	0	0	0	114	Y46 K50 R51	Y46-W48 VanDerWaalsContact CB-CD2 3.49Å; Y46-W48 AromaticContact CD1-CH2 3.25Å; Y46-W48 HydrophobicContact CD1-CH2 3.25Å; Y46-W48 AromaticContact CD1-CZ2 3.29Å; Y46-W48 HydrophobicContact CD1-CZ2 3.29Å; Y46-W48 HydrophobicContact CD1-CZ3 4.06Å; Y46-W48 AromaticContact CD2-CE2 3.98Å; Y46-W48 HydrophobicContact CD2-CH2 4.45Å; Y46-W48 AromaticContact CD2-CZ2 3.64Å; Y46-W48 HydrophobicContact CD2-CZ2 3.64Å; Y46-W48 AromaticContact CE1-CH2 3.95Å; Y46-W48 HydrophobicContact CE1-CH2 3.95Å; Y46-W48 AromaticContact CE1-CZ2 3.97Å; Y46-W48 HydrophobicContact CE1-CZ2 3.97Å; Y46-W48 HydrophobicContact CE2-CZ2 4.27Å; Y46-W48 HydrophobicContact CG-CD2 4.31Å; Y46-W48 AromaticContact CG-CE2 3.5Å; Y46-W48 AromaticContact CG-CH2 3.56Å; Y46-W48 HydrophobicContact CG-CH2 3.56Å; Y46-W48 AromaticContact CG-CZ2 3.1Å; Y46-W48 HydrophobicContact CG-CZ2 3.1Å; Y46-W48 HydrophobicContact CG-CZ3 4.3Å; Y46-W48 AromaticContact CG-NE1 3.92Å; Y46-W48 PolarHBondContact O-N 2.94Å; Y46-W48 VanDerWaalsContact O-N 3.08Å; W48-K50 PolarHBondContact O-N 3.04Å; W48-R51 PolarHBondContact O-N 3.33Å
49	D	59.3	Low	64.1	Low	91 Å²	91	125.8 Å²	125.8	49%	0.487	63%	0.632	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.2	-12.8	175.5	-58.5	-38.8	0	0	0	112.2	Q45 Y46	Q45-D49 HydrophobicContact CG-CB 4.23Å; Y46-D49 PolarHBondContact N-OD2 3.26Å; Y46-D49 WeakPolarHBondContact O-CB 3.5Å; Y46-D49 PolarHBondContact O-N 3.4Å
50	K	56.2	Low	66.8	Low	152 Å²	152	122.3 Å²	122.3	66%	0.661	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	1.8	175.3	-70.8	-173.5	178.1	-179.6	0	114.1	W48 E52	W48-K50 PolarHBondContact O-N 3.04Å; K50-E52 PolarHBondContact O-N 3.46Å; K50-E52 VanDerWaalsContact O-N 3.15Å
51	R	57.3	Low	69.2	Low	202 Å²	202	115.1 Å²	115.1	76%	0.762	57%	0.572	S	S	*	*			trans	-72.3	110.5	175.2	-82.1	-176.3	175.7	173.7	-1.3	108.7	W48 K53	W48-R51 PolarHBondContact O-N 3.33Å; R51-K53 PolarHBondContact O-N 2.95Å; R51-K53 VanDerWaalsContact O-N 3.16Å
52	E	61.5	Low	71.3	Confident	185 Å²	185	110.6 Å²	110.6	86%	0.864	56%	0.555	S	S	*	*			trans	-49.6	123.6	160.9	-75.8	-179.3	159	0	0	108.2	K50 A54	K50-E52 PolarHBondContact O-N 3.46Å; K50-E52 VanDerWaalsContact O-N 3.15Å; E52-A54 VanDerWaalsContact C-N 3.34Å; E52-A54 PolarHBondContact O-N 3.3Å
53	K	64.2	Low	73.3	Confident	208 Å²	208	108.6 Å²	108.6	90%	0.904	54%	0.544	S	S	*	.			trans	-69.2	96.6	176	-74.8	-178.4	179.2	176.3	0	107.5	R51 D55	R51-K53 PolarHBondContact O-N 2.95Å; R51-K53 VanDerWaalsContact O-N 3.16Å; K53-D55 PolarHBondContact O-N 3.23Å
54	A	71.8	Confident	75.1	Confident	57 Å²	57	105.2 Å²	105.2	47%	0.471	52%	0.518	S	S	.	.			trans	-58	121.1	171.9	0	0	0	0	0	109.9	E52 Y59	E52-A54 VanDerWaalsContact C-N 3.34Å; E52-A54 PolarHBondContact O-N 3.3Å; A54-Y59 HydrophobicContact CB-CE2 3.8Å
55	D	80.9	Confident	76.9	Confident	72 Å²	72	104.5 Å²	104.5	39%	0.385	52%	0.515	S	S	.	.			trans	-77.1	128.4	171.7	-171.8	-28.7	0	0	0	108	K53 K57 D58 Y59	K53-D55 PolarHBondContact O-N 3.23Å; D55-K57 PolarHBondContact O-N 3.5Å; D55-K57 VanDerWaalsContact O-N 3.07Å; D55-K57 WeakPolarHBondContact OD1-CB 3.37Å; D55-K57 WeakPolarHBondContact OD1-CG 3.15Å; D55-K57 PolarHBondContact OD1-N 3.31Å; D55-D58 PolarHBondContact N-OD2 2.67Å; D55-D58 VanDerWaalsContact O-CB 3.3Å; D55-D58 WeakPolarHBondContact O-CB 3.25Å; D55-D58 PolarHBondContact O-N 3.48Å; D55-Y59 WeakPolarHBondContact O-CD2 3.34Å
56	P	81.9	Confident	79.3	Confident	98 Å²	98	103.9 Å²	103.9	64%	0.636	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-49.2	-31.5	172.1	-29.3	36	0	0	0	114.2	D58 Y59 T60	P56-D58 PolarHBondContact O-N 2.86Å; P56-Y59 PolarHBondContact O-N 2.62Å; P56-Y59 VanDerWaalsContact O-N 3.08Å; P56-T60 WeakPolarHBondContact O-CB 3.4Å; P56-T60 PolarHBondContact O-N 2.92Å; P56-T60 VanDerWaalsContact O-N 3.14Å; P56-T60 PolarHBondContact O-OG1 3.27Å
57	K	85.3	Confident	80.7	Confident	156 Å²	156	102.2 Å²	102.2	68%	0.678	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-63.9	-22.4	176.7	-67.4	179.2	179.8	179	0	113.5	D55 Y59 R71	D55-K57 PolarHBondContact O-N 3.5Å; D55-K57 VanDerWaalsContact O-N 3.07Å; D55-K57 WeakPolarHBondContact OD1-CB 3.37Å; D55-K57 WeakPolarHBondContact OD1-CG 3.15Å; D55-K57 PolarHBondContact OD1-N 3.31Å; K57-Y59 PolarHBondContact O-N 3.45Å; K57-R71 PolarHBondContact O-NH2 2.71Å
58	D	87.9	Confident	82.6	Confident	76 Å²	76	99 Å²	99	41%	0.406	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-74	-18.2	176.7	-60.3	-29.2	0	0	0	111.6	D55 P56 R71 F81	D55-D58 PolarHBondContact N-OD2 2.67Å; D55-D58 VanDerWaalsContact O-CB 3.3Å; D55-D58 WeakPolarHBondContact O-CB 3.25Å; D55-D58 PolarHBondContact O-N 3.48Å; P56-D58 PolarHBondContact O-N 2.86Å; D58-R71 VanDerWaalsContact O-CZ 3.27Å; D58-R71 PolarHBondContact O-NE 2.84Å; D58-R71 PolarHBondContact O-NH2 2.94Å; D58-F81 WeakPolarHBondContact O-CE2 3.04Å
59	Y	94.1	Very high	84.4	Confident	45 Å²	45	93 Å²	93	18%	0.176	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	2	-175.7	-56	-76.7	0	0	0	113.7	A54 D55 P56 K57 L76 K79 F81 V82	A54-Y59 HydrophobicContact CB-CE2 3.8Å; D55-Y59 WeakPolarHBondContact O-CD2 3.34Å; P56-Y59 PolarHBondContact O-N 2.62Å; P56-Y59 VanDerWaalsContact O-N 3.08Å; K57-Y59 PolarHBondContact O-N 3.45Å; Y59-L76 HydrophobicContact CD1-CD1 3.5Å; Y59-L76 VanDerWaalsContact CD1-CD1 3.5Å; Y59-L76 HydrophobicContact CE1-CD1 3.77Å; Y59-K79 HydrophobicContact CD1-CB 3.82Å; Y59-K79 HydrophobicContact CD1-CD 4.08Å; Y59-K79 HydrophobicContact CE1-CB 3.64Å; Y59-K79 HydrophobicContact CE1-CD 3.17Å; Y59-K79 HydrophobicContact CE1-CG 4.03Å; Y59-K79 HydrophobicContact CE2-CD 4.48Å; Y59-K79 VanDerWaalsContact CZ-CD 3.42Å; Y59-K79 WeakPolarHBondContact OH-CD 3.44Å; Y59-K79 PolarHBondContact OH-NZ 3.01Å; Y59-F81 VanDerWaalsContact C-CD2 3.49Å; Y59-F81 CarbonylContact O-C 3.54Å; Y59-F81 WeakPolarHBondContact O-CA 3.46Å; Y59-F81 VanDerWaalsContact O-CD2 3.25Å; Y59-F81 WeakPolarHBondContact O-CD2 3.48Å; Y59-V82 PolarHBondContact O-N 2.96Å
60	T	96.6	Very high	86.2	Confident	45 Å²	45	89.1 Å²	89.1	28%	0.276	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	137.4	-176.5	-56.9	0	0	0	0	111.2	P56 T62 V82	P56-T60 WeakPolarHBondContact O-CB 3.4Å; P56-T60 PolarHBondContact O-N 2.92Å; P56-T60 VanDerWaalsContact O-N 3.14Å; P56-T60 PolarHBondContact O-OG1 3.27Å; T60-T62 WeakPolarHBondContact CG2-OG1 3.48Å; T60-V82 CarbonylContact C-O 3.6Å; T60-V82 VanDerWaalsContact CA-O 3.24Å; T60-V82 WeakPolarHBondContact CA-O 3.24Å; T60-V82 HydrophobicContact CG2-CB 4.17Å; T60-V82 HydrophobicContact CG2-CG1 4.32Å
61	L	97.6	Very high	88.1	Confident	11 Å²	11	83.5 Å²	83.5	6%	0.058	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	116.5	166	-59.7	177.9	0	0	0	108.3	L64 V69 F81 V82 I83 Q84 I91	L61-L64 HydrophobicContact CB-CD1 4Å; L61-L64 HydrophobicContact CD2-CD1 4.01Å; L61-L64 HydrophobicContact CG-CD1 4.45Å; L61-V69 HydrophobicContact CD1-CG1 3.89Å; L61-V69 HydrophobicContact CD1-CG2 4.24Å; L61-V69 HydrophobicContact CD2-CG2 3.71Å; L61-F81 HydrophobicContact CD1-CE1 3.83Å; L61-F81 HydrophobicContact CD1-CZ 3.91Å; L61-F81 HydrophobicContact CD2-CZ 4.39Å; L61-F81 HydrophobicContact CG-CE1 3.89Å; L61-F81 HydrophobicContact CG-CZ 3.69Å; L61-V82 PolarHBondContact N-O 3.18Å; L61-I83 HydrophobicContact CB-CG1 4.37Å; L61-I83 HydrophobicContact CB-CG2 4.5Å; L61-I83 HydrophobicContact CD1-CG1 4.43Å; L61-I83 CarbonylContact O-C 3.54Å; L61-I83 VanDerWaalsContact O-CA 3.3Å; L61-I83 WeakPolarHBondContact O-CA 3.45Å; L61-Q84 PolarHBondContact O-N 3.27Å; L61-I91 HydrophobicContact CD1-CG2 3.78Å
62	T	98	Very high	90	Very high	67 Å²	67	76.5 Å²	76.5	41%	0.411	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135.9	-176.9	-54.4	0	0	0	0	112.2	T60 L64 Q84	T60-T62 WeakPolarHBondContact CG2-OG1 3.48Å; T62-L64 VanDerWaalsContact C-N 3.26Å; T62-L64 PolarHBondContact O-N 2.73Å; T62-Q84 CarbonylContact C-O 3.51Å; T62-Q84 WeakPolarHBondContact CA-O 3.25Å; T62-Q84 HydrophobicContact CG2-CB 4.24Å
63	G	98	Very high	91.7	Very high	44 Å²	44	69.3 Å²	69.3	45%	0.454	37%	0.374	S	S	.	.	S	Bend	trans	69.5	19.9	169.3	0	0	0	0	0	114.8	Q84 D85	G63-Q84 PolarHBondContact N-O 2.9Å; G63-D85 VanDerWaalsContact CA-O 3.31Å; G63-D85 WeakPolarHBondContact CA-O 3.22Å
64	L	98.1	Very high	93.1	Very high	49 Å²	49	61.2 Å²	61.2	26%	0.257	35%	0.35	S	S	.	.			trans	-81.2	146.2	-177.4	-58.1	-179.6	0	0	0	111.4	L61 T62 I67 V69 C86 V87 C89	L61-L64 HydrophobicContact CB-CD1 4Å; L61-L64 HydrophobicContact CD2-CD1 4.01Å; L61-L64 HydrophobicContact CG-CD1 4.45Å; T62-L64 VanDerWaalsContact C-N 3.26Å; T62-L64 PolarHBondContact O-N 2.73Å; L64-I67 HydrophobicContact CB-CG2 3.9Å; L64-I67 HydrophobicContact CD1-CG2 4.46Å; L64-V69 HydrophobicContact CD1-CB 4.35Å; L64-V69 HydrophobicContact CD1-CG1 3.79Å; L64-V69 HydrophobicContact CD1-CG2 4.11Å; L64-C86 CarbonylContact O-C 3.5Å; L64-C86 WeakPolarHBondContact O-CA 3.47Å; L64-V87 PolarHBondContact O-N 3.07Å; L64-C89 PolarHBondContact O-SG 2.81Å; L64-C89 VanDerWaalsContact O-SG 3.4Å
65	K	98.5	Very high	94.2	Very high	139 Å²	139	61.7 Å²	61.7	60%	0.604	35%	0.347	S	S	*	.	B	Isolated β-bridge	trans	-139	139.9	179.8	-60.4	-171.1	179.1	179.2	0	111.7	I67 V87	K65-I67 PolarHBondContact O-N 3.11Å; K65-V87 VanDerWaalsContact CA-O 3.26Å; K65-V87 WeakPolarHBondContact CA-O 3.34Å; K65-V87 HydrophobicContact CG-CB 4.24Å
66	D	97.2	Very high	94.9	Very high	121 Å²	121	58.3 Å²	58.3	65%	0.647	33%	0.329	S	S	*	.	S	Bend	trans	51.9	41.3	170	-52.3	-65.3	0	0	0	113.2	V87 N88	D66-V87 PolarHBondContact N-O 2.89Å; D66-V87 VanDerWaalsContact N-O 3.12Å; D66-N88 WeakPolarHBondContact CA-O 3.33Å; D66-N88 WeakPolarHBondContact OD1-CB 3.41Å; D66-N88 PolarHBondContact OD1-ND2 3.13Å
67	I	95.8	Very high	95.5	Very high	76 Å²	76	58.3 Å²	58.3	39%	0.39	32%	0.323	S	S	.	.			trans	-136.8	149.1	-172.9	-165.8	166.2	0	0	0	112.6	L64 K65 V69 C89 N90	L64-I67 HydrophobicContact CB-CG2 3.9Å; L64-I67 HydrophobicContact CD1-CG2 4.46Å; K65-I67 PolarHBondContact O-N 3.11Å; I67-V69 HydrophobicContact CG2-CG1 4.37Å; I67-C89 VanDerWaalsContact O-CA 3.28Å; I67-C89 WeakPolarHBondContact O-CA 3.48Å; I67-N90 PolarHBondContact O-N 3.31Å
68	T	96.2	Very high	95.9	Very high	30 Å²	30	52 Å²	52	18%	0.184	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	121.4	167.3	-63.4	0	0	0	0	109.4	N90 F92 D222 F227	T68-N90 CarbonylContact C-O 3.57Å; T68-N90 VanDerWaalsContact CA-O 3.28Å; T68-N90 WeakPolarHBondContact CA-O 3.37Å; T68-N90 HydrophobicContact CG2-CB 4.21Å; T68-N90 PolarHBondContact OG1-ND2 2.88Å; T68-F92 HydrophobicContact CG2-CD2 4.04Å; T68-F92 HydrophobicContact CG2-CE2 3.93Å; T68-D222 WeakPolarHBondContact CB-OD2 3.08Å; T68-D222 PolarHBondContact OG1-OD2 3.02Å; T68-F227 HydrophobicContact CG2-CD2 4.09Å; T68-F227 HydrophobicContact CG2-CE2 4.12Å
69	V	96.3	Very high	96.3	Very high	28 Å²	28	52.7 Å²	52.7	17%	0.17	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	169.7	-171.7	64	0	0	0	0	110.8	L61 L64 I67 N90 I91 F92	L61-V69 HydrophobicContact CD1-CG1 3.89Å; L61-V69 HydrophobicContact CD1-CG2 4.24Å; L61-V69 HydrophobicContact CD2-CG2 3.71Å; L64-V69 HydrophobicContact CD1-CB 4.35Å; L64-V69 HydrophobicContact CD1-CG1 3.79Å; L64-V69 HydrophobicContact CD1-CG2 4.11Å; I67-V69 HydrophobicContact CG2-CG1 4.37Å; V69-N90 PolarHBondContact N-O 2.85Å; V69-I91 HydrophobicContact CG1-CG1 4.09Å; V69-I91 CarbonylContact O-C 3.53Å; V69-I91 VanDerWaalsContact O-CA 3.25Å; V69-I91 WeakPolarHBondContact O-CA 3.19Å; V69-F92 PolarHBondContact O-N 2.87Å
70	G	96.1	Very high	96.5	Very high	11 Å²	11	54 Å²	54	11%	0.113	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.8	-150.2	176.7	0	0	0	0	0	113.4	F92	G70-F92 CarbonylContact C-O 3.52Å; G70-F92 VanDerWaalsContact CA-O 3.23Å; G70-F92 WeakPolarHBondContact CA-O 3.47Å
71	R	96.7	Very high	96.6	Very high	34 Å²	34	52 Å²	52	13%	0.128	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	132.5	-174.3	-66.4	-59.6	176.3	-89.2	-6.9	110.6	K57 D58 T75 F81 F92 V93 L94	K57-R71 PolarHBondContact O-NH2 2.71Å; D58-R71 VanDerWaalsContact O-CZ 3.27Å; D58-R71 PolarHBondContact O-NE 2.84Å; D58-R71 PolarHBondContact O-NH2 2.94Å; R71-T75 WeakPolarHBondContact CB-OG1 3.34Å; R71-F81 HydrophobicContact CG-CE2 3.81Å; R71-F81 HydrophobicContact CG-CZ 3.95Å; R71-F92 PolarHBondContact N-O 3.3Å; R71-V93 HydrophobicContact CB-CG1 4.1Å; R71-V93 HydrophobicContact CG-CG1 4.4Å; R71-L94 PolarHBondContact O-N 3.18Å
72	L	96.9	Very high	96.6	Very high	55 Å²	55	53.5 Å²	53.5	29%	0.288	31%	0.313	S	S	.	.			trans	-79.3	161.2	174.6	-71.1	171.7	0	0	0	110.6	G74 T75 F227 V230	L72-G74 PolarHBondContact O-N 2.92Å; L72-T75 HydrophobicContact CB-CG2 4.08Å; L72-T75 PolarHBondContact N-OG1 3.43Å; L72-T75 WeakPolarHBondContact O-CB 3.27Å; L72-T75 WeakPolarHBondContact O-CG2 3.46Å; L72-T75 PolarHBondContact O-N 3.41Å; L72-T75 PolarHBondContact O-OG1 2.87Å; L72-F227 HydrophobicContact CD2-CD1 3.78Å; L72-F227 HydrophobicContact CD2-CE1 4.21Å; L72-V230 HydrophobicContact CD2-CG2 3.73Å
73	P	97.3	Very high	96.6	Very high	33 Å²	33	50.3 Å²	50.3	21%	0.214	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	135.7	172.5	-28.1	35.4	0	0	0	112.7	T75 L94 E173 V230	P73-T75 VanDerWaalsContact C-N 3.32Å; P73-T75 PolarHBondContact O-N 3.39Å; P73-L94 VanDerWaalsContact CA-O 3.28Å; P73-L94 WeakPolarHBondContact CA-O 3.41Å; P73-L94 HydrophobicContact CG-CB 4.43Å; P73-L94 WeakPolarHBondContact CG-O 3.43Å; P73-E173 HydrophobicContact CB-CB 4.26Å; P73-E173 HydrophobicContact CB-CG 3.96Å; P73-E173 HydrophobicContact CG-CG 4.29Å; P73-V230 HydrophobicContact CG-CG2 4.37Å
74	G	94.9	Very high	96.7	Very high	39 Å²	39	51.5 Å²	51.5	40%	0.402	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	9.2	178.2	0	0	0	0	0	115.9	L72 N77 D95	L72-G74 PolarHBondContact O-N 2.92Å; G74-N77 PolarHBondContact O-ND2 3.47Å; G74-N77 PolarHBondContact O-OD1 3.32Å; G74-D95 WeakPolarHBondContact CA-OD2 3.5Å; G74-D95 PolarHBondContact N-OD2 3.31Å; G74-D95 VanDerWaalsContact N-OD2 3.11Å
75	T	94.8	Very high	96.7	Very high	66 Å²	66	52.6 Å²	52.6	41%	0.405	29%	0.293	S	S	.	.	S	Bend	trans	-96.1	-24.6	178.9	61.9	0	0	0	0	113.6	R71 L72 P73 D95	R71-T75 WeakPolarHBondContact CB-OG1 3.34Å; L72-T75 HydrophobicContact CB-CG2 4.08Å; L72-T75 PolarHBondContact N-OG1 3.43Å; L72-T75 WeakPolarHBondContact O-CB 3.27Å; L72-T75 WeakPolarHBondContact O-CG2 3.46Å; L72-T75 PolarHBondContact O-N 3.41Å; L72-T75 PolarHBondContact O-OG1 2.87Å; P73-T75 VanDerWaalsContact C-N 3.32Å; P73-T75 PolarHBondContact O-N 3.39Å; T75-D95 PolarHBondContact N-OD2 3.2Å
76	L	94.2	Very high	96.7	Very high	1 Å²	1	46 Å²	46	1%	0.005	26%	0.264	C	S	.	.	S	Bend	trans	-100.9	-35.3	-178.3	-170.3	54.4	0	0	0	112	Y59 G78 K79 F81 V93 D95 S97	Y59-L76 HydrophobicContact CD1-CD1 3.5Å; Y59-L76 VanDerWaalsContact CD1-CD1 3.5Å; Y59-L76 HydrophobicContact CE1-CD1 3.77Å; L76-G78 VanDerWaalsContact C-N 3.32Å; L76-G78 PolarHBondContact O-N 2.89Å; L76-K79 HydrophobicContact CD1-CB 4.13Å; L76-K79 WeakPolarHBondContact O-CB 3.15Å; L76-K79 WeakPolarHBondContact O-CG 3.27Å; L76-K79 PolarHBondContact O-N 2.85Å; L76-K79 VanDerWaalsContact O-N 3.09Å; L76-F81 HydrophobicContact CD1-CB 4.43Å; L76-F81 HydrophobicContact CD1-CD2 3.72Å; L76-F81 HydrophobicContact CD1-CE2 4.47Å; L76-F81 HydrophobicContact CD1-CG 4.48Å; L76-F81 HydrophobicContact CD2-CB 4.08Å; L76-F81 HydrophobicContact CD2-CD2 4.07Å; L76-F81 HydrophobicContact CD2-CG 4.22Å; L76-V93 HydrophobicContact CD2-CG1 3.59Å; L76-D95 WeakPolarHBondContact CA-OD2 3.43Å; L76-D95 HydrophobicContact CB-CB 3.97Å; L76-D95 PolarHBondContact N-OD2 2.94Å; L76-S97 WeakPolarHBondContact CD2-OG 3.43Å
77	N	94.3	Very high	96.8	Very high	98 Å²	98	42.2 Å²	42.2	52%	0.524	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	49.2	172.9	-65.2	-52.5	0	0	0	114	G74 K79 D95	G74-N77 PolarHBondContact O-ND2 3.47Å; G74-N77 PolarHBondContact O-OD1 3.32Å; N77-K79 VanDerWaalsContact C-N 3.27Å; N77-K79 PolarHBondContact O-N 3.47Å; N77-D95 PolarHBondContact N-OD2 3.3Å
78	G	95.4	Very high	96.9	Very high	23 Å²	23	41.7 Å²	41.7	24%	0.237	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	13.3	174.3	0	0	0	0	0	114.4	L76 H96 A98	L76-G78 VanDerWaalsContact C-N 3.32Å; L76-G78 PolarHBondContact O-N 2.89Å; G78-H96 VanDerWaalsContact CA-CD2 3.43Å; G78-H96 WeakPolarHBondContact CA-CD2 3.37Å; G78-H96 WeakPolarHBondContact CA-NE2 3.23Å; G78-H96 WeakPolarHBondContact CA-O 3.29Å; G78-H96 PolarHBondContact N-CD2 2.93Å; G78-H96 PolarHBondContact N-CE1 2.83Å; G78-H96 PolarHBondContact N-NE2 3.47Å; G78-H96 PolarHBondContact N-O 2.84Å; G78-A98 WeakPolarHBondContact O-CB 3.45Å; G78-A98 PolarHBondContact O-N 3.36Å; G78-A98 VanDerWaalsContact O-N 3.16Å
79	K	96.4	Very high	97	Very high	91 Å²	91	40.3 Å²	40.3	40%	0.396	24%	0.235	S	C	.	.			trans	-80.2	159.5	173.4	-66.8	174.9	177.9	-174	0	111.4	Y59 L76 N77 A98	Y59-K79 HydrophobicContact CD1-CB 3.82Å; Y59-K79 HydrophobicContact CD1-CD 4.08Å; Y59-K79 HydrophobicContact CE1-CB 3.64Å; Y59-K79 HydrophobicContact CE1-CD 3.17Å; Y59-K79 HydrophobicContact CE1-CG 4.03Å; Y59-K79 HydrophobicContact CE2-CD 4.48Å; Y59-K79 VanDerWaalsContact CZ-CD 3.42Å; Y59-K79 WeakPolarHBondContact OH-CD 3.44Å; Y59-K79 PolarHBondContact OH-NZ 3.01Å; L76-K79 HydrophobicContact CD1-CB 4.13Å; L76-K79 WeakPolarHBondContact O-CB 3.15Å; L76-K79 WeakPolarHBondContact O-CG 3.27Å; L76-K79 PolarHBondContact O-N 2.85Å; L76-K79 VanDerWaalsContact O-N 3.09Å; N77-K79 VanDerWaalsContact C-N 3.27Å; N77-K79 PolarHBondContact O-N 3.47Å; K79-A98 PolarHBondContact O-N 3.35Å; K79-A98 VanDerWaalsContact O-N 3.13Å
80	P	97.4	Very high	97.1	Very high	73 Å²	73	40.5 Å²	40.5	47%	0.474	24%	0.235	S	C	.	.			trans	-63.7	152.2	171.6	-21	33.8	0	0	0	111.7	A98 T99	P80-A98 HydrophobicContact CG-CB 4.22Å; P80-T99 WeakPolarHBondContact CA-O 3.45Å; P80-T99 HydrophobicContact CB-CG2 3.88Å; P80-T99 HydrophobicContact CG-CG2 4.33Å
81	F	98.1	Very high	97.2	Very high	2 Å²	2	40 Å²	40	1%	0.009	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.2	177	-157	-108.7	0	0	0	111.4	D58 Y59 L61 R71 L76 I83 V93 T99 I100 S101	D58-F81 WeakPolarHBondContact O-CE2 3.04Å; Y59-F81 VanDerWaalsContact C-CD2 3.49Å; Y59-F81 CarbonylContact O-C 3.54Å; Y59-F81 WeakPolarHBondContact O-CA 3.46Å; Y59-F81 VanDerWaalsContact O-CD2 3.25Å; Y59-F81 WeakPolarHBondContact O-CD2 3.48Å; L61-F81 HydrophobicContact CD1-CE1 3.83Å; L61-F81 HydrophobicContact CD1-CZ 3.91Å; L61-F81 HydrophobicContact CD2-CZ 4.39Å; L61-F81 HydrophobicContact CG-CE1 3.89Å; L61-F81 HydrophobicContact CG-CZ 3.69Å; R71-F81 HydrophobicContact CG-CE2 3.81Å; R71-F81 HydrophobicContact CG-CZ 3.95Å; L76-F81 HydrophobicContact CD1-CB 4.43Å; L76-F81 HydrophobicContact CD1-CD2 3.72Å; L76-F81 HydrophobicContact CD1-CE2 4.47Å; L76-F81 HydrophobicContact CD1-CG 4.48Å; L76-F81 HydrophobicContact CD2-CB 4.08Å; L76-F81 HydrophobicContact CD2-CD2 4.07Å; L76-F81 HydrophobicContact CD2-CG 4.22Å; F81-I83 HydrophobicContact CD1-CD1 4.12Å; F81-I83 HydrophobicContact CD1-CG1 3.86Å; F81-I83 HydrophobicContact CE1-CD1 4.07Å; F81-I83 HydrophobicContact CE1-CG1 3.75Å; F81-V93 HydrophobicContact CD1-CG2 4.03Å; F81-V93 HydrophobicContact CE1-CG2 3.74Å; F81-V93 HydrophobicContact CZ-CG2 4.39Å; F81-T99 PolarHBondContact N-O 3.46Å; F81-I100 HydrophobicContact CB-CG1 4.16Å; F81-I100 HydrophobicContact CB-CG2 4.49Å; F81-I100 VanDerWaalsContact O-CA 3.29Å; F81-I100 WeakPolarHBondContact O-CA 3.35Å; F81-S101 PolarHBondContact O-N 3.32Å
82	V	98.4	Very high	97.2	Very high	43 Å²	43	38.4 Å²	38.4	26%	0.261	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.8	-179.1	179.5	0	0	0	0	109.9	Y59 T60 L61	Y59-V82 PolarHBondContact O-N 2.96Å; T60-V82 CarbonylContact C-O 3.6Å; T60-V82 VanDerWaalsContact CA-O 3.24Å; T60-V82 WeakPolarHBondContact CA-O 3.24Å; T60-V82 HydrophobicContact CG2-CB 4.17Å; T60-V82 HydrophobicContact CG2-CG1 4.32Å; L61-V82 PolarHBondContact N-O 3.18Å
83	I	98.6	Very high	97.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	125.7	173.9	-58.3	167.4	0	0	0	107.4	L61 F81 C86 I91 S101 I102 D103 F112	L61-I83 HydrophobicContact CB-CG1 4.37Å; L61-I83 HydrophobicContact CB-CG2 4.5Å; L61-I83 HydrophobicContact CD1-CG1 4.43Å; L61-I83 CarbonylContact O-C 3.54Å; L61-I83 VanDerWaalsContact O-CA 3.3Å; L61-I83 WeakPolarHBondContact O-CA 3.45Å; F81-I83 HydrophobicContact CD1-CD1 4.12Å; F81-I83 HydrophobicContact CD1-CG1 3.86Å; F81-I83 HydrophobicContact CE1-CD1 4.07Å; F81-I83 HydrophobicContact CE1-CG1 3.75Å; I83-C86 HydrophobicContact CG2-CB 4.33Å; I83-I91 HydrophobicContact CD1-CD1 4.36Å; I83-I91 HydrophobicContact CD1-CG2 3.93Å; I83-I91 HydrophobicContact CG2-CD1 3.7Å; I83-S101 PolarHBondContact N-O 2.69Å; I83-I102 HydrophobicContact CB-CG1 4.45Å; I83-I102 HydrophobicContact CB-CG2 4.33Å; I83-I102 HydrophobicContact CD1-CG1 4.41Å; I83-I102 HydrophobicContact CG2-CG2 4.4Å; I83-I102 CarbonylContact O-C 3.53Å; I83-I102 VanDerWaalsContact O-CA 3.27Å; I83-I102 WeakPolarHBondContact O-CA 3.43Å; I83-D103 PolarHBondContact O-N 3.06Å; I83-F112 HydrophobicContact CD1-CE1 3.54Å; I83-F112 HydrophobicContact CD1-CZ 3.69Å
84	Q	98.5	Very high	97.3	Very high	70 Å²	70	34.2 Å²	34.2	33%	0.327	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	142.8	-174.5	-176.2	171.8	6.5	0	0	112	L61 T62 G63 C86 D103	L61-Q84 PolarHBondContact O-N 3.27Å; T62-Q84 CarbonylContact C-O 3.51Å; T62-Q84 WeakPolarHBondContact CA-O 3.25Å; T62-Q84 HydrophobicContact CG2-CB 4.24Å; G63-Q84 PolarHBondContact N-O 2.9Å; Q84-C86 PolarHBondContact O-N 3.06Å; Q84-C86 VanDerWaalsContact O-N 3.13Å; Q84-D103 CarbonylContact C-O 3.49Å; Q84-D103 VanDerWaalsContact CA-O 3.28Å; Q84-D103 WeakPolarHBondContact CA-O 3.24Å; Q84-D103 HydrophobicContact CB-CB 4.24Å; Q84-D103 HydrophobicContact CG-CB 3.92Å
85	D	98.6	Very high	97.4	Very high	71 Å²	71	32.4 Å²	32.4	38%	0.38	18%	0.181	S	C	.	.	S	Bend	trans	55.8	31.8	172.7	-59.3	-45.3	0	0	0	114	G63 D103 D104	G63-D85 VanDerWaalsContact CA-O 3.31Å; G63-D85 WeakPolarHBondContact CA-O 3.22Å; D85-D103 PolarHBondContact N-O 2.88Å; D85-D104 WeakPolarHBondContact OD1-CB 3.46Å
86	C	98.8	Very high	97.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.			trans	-91.8	135	179.6	-69.1	0	0	0	0	111.6	L64 I83 Q84 C89 I91 C105 V106 C108	L64-C86 CarbonylContact O-C 3.5Å; L64-C86 WeakPolarHBondContact O-CA 3.47Å; I83-C86 HydrophobicContact CG2-CB 4.33Å; Q84-C86 PolarHBondContact O-N 3.06Å; Q84-C86 VanDerWaalsContact O-N 3.13Å; C86-C89 HydrophobicContact CB-CB 4.49Å; C86-I91 HydrophobicContact CB-CD1 4.3Å; C86-C105 CarbonylContact O-C 3.59Å; C86-C105 VanDerWaalsContact O-CA 3.26Å; C86-C105 WeakPolarHBondContact O-CA 3.47Å; C86-V106 PolarHBondContact O-N 3.35Å; C86-C108 PolarHBondContact O-SG 3.3Å; C86-C108 VanDerWaalsContact O-SG 3.38Å
87	V	98.8	Very high	97.8	Very high	43 Å²	43	30.4 Å²	30.4	26%	0.261	17%	0.168	S	C	.	.	B	Isolated β-bridge	trans	-128.3	134.3	-178.8	-175.1	0	0	0	0	110.8	L64 K65 D66 C89 V106	L64-V87 PolarHBondContact O-N 3.07Å; K65-V87 VanDerWaalsContact CA-O 3.26Å; K65-V87 WeakPolarHBondContact CA-O 3.34Å; K65-V87 HydrophobicContact CG-CB 4.24Å; D66-V87 PolarHBondContact N-O 2.89Å; D66-V87 VanDerWaalsContact N-O 3.12Å; V87-C89 PolarHBondContact O-N 2.99Å; V87-C89 PolarHBondContact O-SG 3.33Å; V87-V106 CarbonylContact C-O 3.53Å; V87-V106 VanDerWaalsContact CA-O 3.27Å; V87-V106 WeakPolarHBondContact CA-O 3.42Å; V87-V106 HydrophobicContact CG1-CB 4.45Å; V87-V106 HydrophobicContact CG2-CB 4.43Å
88	N	98.5	Very high	98	Very high	64 Å²	64	27.3 Å²	27.3	34%	0.342	16%	0.155	S	C	.	.	S	Bend	trans	55.6	34.3	177.7	-55.7	-22.4	0	0	0	113.9	D66 V106 N107	D66-N88 WeakPolarHBondContact CA-O 3.33Å; D66-N88 WeakPolarHBondContact OD1-CB 3.41Å; D66-N88 PolarHBondContact OD1-ND2 3.13Å; N88-V106 PolarHBondContact N-O 2.73Å; N88-N107 VanDerWaalsContact CA-O 3.23Å; N88-N107 WeakPolarHBondContact CA-O 3.46Å; N88-N107 WeakPolarHBondContact OD1-CB 3.41Å; N88-N107 PolarHBondContact OD1-ND2 2.92Å
89	C	98.1	Very high	98.1	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.007	16%	0.158	C	C	.	.			trans	-101	147.2	-175.5	-65	0	0	0	0	112.5	L64 I67 C86 V87 I91 C108 R109	L64-C89 PolarHBondContact O-SG 2.81Å; L64-C89 VanDerWaalsContact O-SG 3.4Å; I67-C89 VanDerWaalsContact O-CA 3.28Å; I67-C89 WeakPolarHBondContact O-CA 3.48Å; C86-C89 HydrophobicContact CB-CB 4.49Å; V87-C89 PolarHBondContact O-N 2.99Å; V87-C89 PolarHBondContact O-SG 3.33Å; C89-I91 HydrophobicContact CB-CD1 4.14Å; C89-I91 HydrophobicContact CB-CG1 3.87Å; C89-C108 PolarHBondContact N-SG 3.45Å; C89-C108 CarbonylContact O-C 3.5Å; C89-C108 VanDerWaalsContact O-CA 3.24Å; C89-C108 WeakPolarHBondContact O-CA 3.11Å; C89-C108 WeakPolarHBondContact O-CB 3.43Å; C89-R109 PolarHBondContact O-N 3.43Å
90	N	97.8	Very high	98.2	Very high	32 Å²	32	24.2 Å²	24.2	17%	0.171	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	117	161.6	-52.5	-63.1	0	0	0	108.2	I67 T68 V69 F92 R109	I67-N90 PolarHBondContact O-N 3.31Å; T68-N90 CarbonylContact C-O 3.57Å; T68-N90 VanDerWaalsContact CA-O 3.28Å; T68-N90 WeakPolarHBondContact CA-O 3.37Å; T68-N90 HydrophobicContact CG2-CB 4.21Å; T68-N90 PolarHBondContact OG1-ND2 2.88Å; V69-N90 PolarHBondContact N-O 2.85Å; N90-F92 HydrophobicContact CB-CD2 4.46Å; N90-F92 HydrophobicContact CB-CE2 3.7Å; N90-F92 HydrophobicContact CB-CZ 4.35Å; N90-R109 CarbonylContact C-O 3.56Å; N90-R109 WeakPolarHBondContact CA-O 3.47Å; N90-R109 VanDerWaalsContact OD1-CD 3.32Å; N90-R109 WeakPolarHBondContact OD1-CD 3.33Å
91	I	97.9	Very high	98.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	116.5	-173.1	-54.5	177.3	0	0	0	109.8	L61 V69 I83 C86 C89 V93 R109 I110 V111	L61-I91 HydrophobicContact CD1-CG2 3.78Å; V69-I91 HydrophobicContact CG1-CG1 4.09Å; V69-I91 CarbonylContact O-C 3.53Å; V69-I91 VanDerWaalsContact O-CA 3.25Å; V69-I91 WeakPolarHBondContact O-CA 3.19Å; I83-I91 HydrophobicContact CD1-CD1 4.36Å; I83-I91 HydrophobicContact CD1-CG2 3.93Å; I83-I91 HydrophobicContact CG2-CD1 3.7Å; C86-I91 HydrophobicContact CB-CD1 4.3Å; C89-I91 HydrophobicContact CB-CD1 4.14Å; C89-I91 HydrophobicContact CB-CG1 3.87Å; I91-V93 HydrophobicContact CG2-CG2 4.15Å; I91-R109 PolarHBondContact N-O 2.75Å; I91-I110 HydrophobicContact CB-CG1 4.29Å; I91-I110 HydrophobicContact CB-CG2 4.25Å; I91-I110 CarbonylContact O-C 3.56Å; I91-I110 VanDerWaalsContact O-CA 3.31Å; I91-I110 WeakPolarHBondContact O-CA 2.84Å; I91-V111 PolarHBondContact O-N 3.48Å
92	F	97.9	Very high	98.3	Very high	1 Å²	1	22 Å²	22	0%	0.004	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	96	-178.6	-61.5	-85.6	0	0	0	111	T68 V69 G70 R71 N90 L94 V111 V218 P221 F227	T68-F92 HydrophobicContact CG2-CD2 4.04Å; T68-F92 HydrophobicContact CG2-CE2 3.93Å; V69-F92 PolarHBondContact O-N 2.87Å; G70-F92 CarbonylContact C-O 3.52Å; G70-F92 VanDerWaalsContact CA-O 3.23Å; G70-F92 WeakPolarHBondContact CA-O 3.47Å; R71-F92 PolarHBondContact N-O 3.3Å; N90-F92 HydrophobicContact CB-CD2 4.46Å; N90-F92 HydrophobicContact CB-CE2 3.7Å; N90-F92 HydrophobicContact CB-CZ 4.35Å; F92-L94 HydrophobicContact CB-CD1 4.39Å; F92-L94 HydrophobicContact CB-CD2 4.31Å; F92-L94 HydrophobicContact CB-CG 4.11Å; F92-L94 PolarHBondContact O-N 3.26Å; F92-V111 HydrophobicContact CD1-CB 3.88Å; F92-V111 HydrophobicContact CD1-CG2 3.68Å; F92-V111 HydrophobicContact CE1-CB 4.47Å; F92-V111 HydrophobicContact CE1-CG2 3.77Å; F92-V218 HydrophobicContact CE1-CG1 4.45Å; F92-P221 HydrophobicContact CD1-CG 3.88Å; F92-P221 HydrophobicContact CD2-CB 4.19Å; F92-P221 HydrophobicContact CD2-CG 4.02Å; F92-P221 HydrophobicContact CE1-CG 3.71Å; F92-P221 HydrophobicContact CE2-CB 3.85Å; F92-P221 HydrophobicContact CE2-CG 3.85Å; F92-P221 HydrophobicContact CG-CG 4.03Å; F92-P221 HydrophobicContact CZ-CB 4.06Å; F92-P221 HydrophobicContact CZ-CG 3.7Å; F92-F227 HydrophobicContact CB-CD1 4Å; F92-F227 HydrophobicContact CB-CD2 4.4Å; F92-F227 HydrophobicContact CB-CE1 3.88Å; F92-F227 HydrophobicContact CB-CE2 4.29Å; F92-F227 HydrophobicContact CB-CG 4.29Å; F92-F227 HydrophobicContact CB-CZ 4.06Å; F92-F227 HydrophobicContact CD2-CD2 4.13Å; F92-F227 HydrophobicContact CD2-CE2 4.26Å; F92-F227 WeakPolarHBondContact O-CE1 2.96Å
93	V	97.8	Very high	98.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	88	173.7	-173.9	0	0	0	0	107.9	R71 L76 F81 I91 D95 V111 F112 G113	R71-V93 HydrophobicContact CB-CG1 4.1Å; R71-V93 HydrophobicContact CG-CG1 4.4Å; L76-V93 HydrophobicContact CD2-CG1 3.59Å; F81-V93 HydrophobicContact CD1-CG2 4.03Å; F81-V93 HydrophobicContact CE1-CG2 3.74Å; F81-V93 HydrophobicContact CZ-CG2 4.39Å; I91-V93 HydrophobicContact CG2-CG2 4.15Å; V93-D95 VanDerWaalsContact C-N 3.28Å; V93-D95 PolarHBondContact O-N 3.49Å; V93-V111 PolarHBondContact N-O 3.05Å; V93-F112 HydrophobicContact CB-CD1 3.95Å; V93-F112 HydrophobicContact CG2-CD1 3.93Å; V93-F112 HydrophobicContact CG2-CE1 4.01Å; V93-F112 CarbonylContact O-C 3.54Å; V93-G113 PolarHBondContact O-N 2.75Å
94	L	97.8	Very high	98.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.134	C	C	.	.			trans	-92.8	46.5	-171.8	-54.7	178.6	0	0	0	112.1	R71 P73 F92 V111 Y169 Y171 H177 F227 V230 I232	R71-L94 PolarHBondContact O-N 3.18Å; P73-L94 VanDerWaalsContact CA-O 3.28Å; P73-L94 WeakPolarHBondContact CA-O 3.41Å; P73-L94 HydrophobicContact CG-CB 4.43Å; P73-L94 WeakPolarHBondContact CG-O 3.43Å; F92-L94 HydrophobicContact CB-CD1 4.39Å; F92-L94 HydrophobicContact CB-CD2 4.31Å; F92-L94 HydrophobicContact CB-CG 4.11Å; F92-L94 PolarHBondContact O-N 3.26Å; L94-V111 HydrophobicContact CD2-CB 4.48Å; L94-V111 HydrophobicContact CD2-CG1 3.92Å; L94-Y169 HydrophobicContact CD2-CE1 4.43Å; L94-Y171 HydrophobicContact CD2-CD1 4.41Å; L94-Y171 HydrophobicContact CD2-CE1 4.14Å; L94-H177 PolarHBondContact O-CE1 2.99Å; L94-H177 VanDerWaalsContact O-CE1 3.24Å; L94-F227 HydrophobicContact CD1-CD1 3.93Å; L94-V230 HydrophobicContact CD1-CB 3.99Å; L94-V230 HydrophobicContact CD1-CG1 3.82Å; L94-V230 HydrophobicContact CD1-CG2 3.93Å; L94-I232 HydrophobicContact CD1-CD1 4.1Å
95	D	98.2	Very high	98.4	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	12%	0.119	C	C	.	.	S	Bend	trans	-148.9	162.3	178	-165.1	0.4	0	0	0	109.9	G74 T75 L76 N77 V93 G113 H177	G74-D95 WeakPolarHBondContact CA-OD2 3.5Å; G74-D95 PolarHBondContact N-OD2 3.31Å; G74-D95 VanDerWaalsContact N-OD2 3.11Å; T75-D95 PolarHBondContact N-OD2 3.2Å; L76-D95 WeakPolarHBondContact CA-OD2 3.43Å; L76-D95 HydrophobicContact CB-CB 3.97Å; L76-D95 PolarHBondContact N-OD2 2.94Å; N77-D95 PolarHBondContact N-OD2 3.3Å; V93-D95 VanDerWaalsContact C-N 3.28Å; V93-D95 PolarHBondContact O-N 3.49Å; D95-G113 WeakPolarHBondContact O-CA 3.16Å; D95-H177 IonicContact OD1-CD2 3.73Å; D95-H177 IonicContact OD1-CE1 3.56Å; D95-H177 IonicContact OD1-NE2 2.56Å; D95-H177 PolarHBondContact OD1-NE2 3.43Å
96	H	98.4	Very high	98.4	Very high	26 Å²	26	19.7 Å²	19.7	12%	0.12	12%	0.116	C	C	.	.			trans	-73.1	147.2	174.1	73.7	-66.8	0	0	0	111.9	G78 P114 H177 A181	G78-H96 VanDerWaalsContact CA-CD2 3.43Å; G78-H96 WeakPolarHBondContact CA-CD2 3.37Å; G78-H96 WeakPolarHBondContact CA-NE2 3.23Å; G78-H96 WeakPolarHBondContact CA-O 3.29Å; G78-H96 PolarHBondContact N-CD2 2.93Å; G78-H96 PolarHBondContact N-CE1 2.83Å; G78-H96 PolarHBondContact N-NE2 3.47Å; G78-H96 PolarHBondContact N-O 2.84Å; H96-P114 WeakPolarHBondContact CA-O 3.42Å; H96-H177 HydrophobicContact CB-CB 4.02Å; H96-A181 HydrophobicContact CB-CB 4.35Å
97	S	98.4	Very high	98.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-133.7	155.7	-175.9	-48.9	0	0	0	0	111.5	L76 P114 V115 K116	L76-S97 WeakPolarHBondContact CD2-OG 3.43Å; S97-P114 PolarHBondContact N-O 2.91Å; S97-V115 CarbonylContact O-C 3.58Å; S97-V115 WeakPolarHBondContact O-CA 3.38Å; S97-K116 PolarHBondContact O-N 3.15Å
98	A	97.9	Very high	98.4	Very high	32 Å²	32	21.7 Å²	21.7	26%	0.264	13%	0.125	S	C	.	.	S	Bend	trans	-72.4	-50.9	170.9	0	0	0	0	0	111.5	G78 K79 P80 G117	G78-A98 WeakPolarHBondContact O-CB 3.45Å; G78-A98 PolarHBondContact O-N 3.36Å; G78-A98 VanDerWaalsContact O-N 3.16Å; K79-A98 PolarHBondContact O-N 3.35Å; K79-A98 VanDerWaalsContact O-N 3.13Å; P80-A98 HydrophobicContact CG-CB 4.22Å; A98-G117 WeakPolarHBondContact O-CA 3.48Å; A98-G117 PolarHBondContact O-N 3.32Å
99	T	98.3	Very high	98.4	Very high	50 Å²	50	23.3 Å²	23.3	31%	0.307	13%	0.127	S	C	.	.			trans	-157.7	151.5	-179.3	-177	0	0	0	0	108.9	P80 F81 S118	P80-T99 WeakPolarHBondContact CA-O 3.45Å; P80-T99 HydrophobicContact CB-CG2 3.88Å; P80-T99 HydrophobicContact CG-CG2 4.33Å; F81-T99 PolarHBondContact N-O 3.46Å; T99-S118 WeakPolarHBondContact CA-O 3.4Å; T99-S118 PolarHBondContact OG1-O 3.48Å; T99-S118 PolarHBondContact OG1-OG 3.31Å
100	I	98.7	Very high	98.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128.9	175.6	-52.1	-175.3	0	0	0	109.6	F81 I102 F112 V115 S118 V119 F120	F81-I100 HydrophobicContact CB-CG1 4.16Å; F81-I100 HydrophobicContact CB-CG2 4.49Å; F81-I100 VanDerWaalsContact O-CA 3.29Å; F81-I100 WeakPolarHBondContact O-CA 3.35Å; I100-I102 HydrophobicContact CB-CD1 4.33Å; I100-I102 HydrophobicContact CG2-CD1 3.66Å; I100-I102 HydrophobicContact CG2-CG1 4.07Å; I100-F112 HydrophobicContact CD1-CB 4.11Å; I100-F112 HydrophobicContact CD1-CD1 3.68Å; I100-F112 HydrophobicContact CD1-CD2 4.04Å; I100-F112 HydrophobicContact CD1-CE1 4.03Å; I100-F112 HydrophobicContact CD1-CE2 4.39Å; I100-F112 HydrophobicContact CD1-CG 3.68Å; I100-F112 HydrophobicContact CD1-CZ 4.36Å; I100-F112 HydrophobicContact CG2-CE1 4.16Å; I100-F112 HydrophobicContact CG2-CE2 4.14Å; I100-F112 HydrophobicContact CG2-CZ 3.79Å; I100-V115 HydrophobicContact CD1-CG2 3.59Å; I100-V115 HydrophobicContact CG1-CG1 4.26Å; I100-V115 HydrophobicContact CG1-CG2 3.88Å; I100-S118 PolarHBondContact N-O 2.84Å; I100-V119 HydrophobicContact CB-CG2 4.4Å; I100-V119 WeakPolarHBondContact O-CA 3.31Å; I100-F120 PolarHBondContact O-N 3Å
101	S	98.6	Very high	98.4	Very high	28 Å²	28	21.8 Å²	21.8	20%	0.196	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	134.6	167.9	63.1	0	0	0	0	110.5	F81 I83	F81-S101 PolarHBondContact O-N 3.32Å; I83-S101 PolarHBondContact N-O 2.69Å
102	I	98.8	Very high	98.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	117.1	-179	-51.2	86.8	0	0	0	107.6	I83 I100 C105 I110 F112 V119 F120 F121 R122	I83-I102 HydrophobicContact CB-CG1 4.45Å; I83-I102 HydrophobicContact CB-CG2 4.33Å; I83-I102 HydrophobicContact CD1-CG1 4.41Å; I83-I102 HydrophobicContact CG2-CG2 4.4Å; I83-I102 CarbonylContact O-C 3.53Å; I83-I102 VanDerWaalsContact O-CA 3.27Å; I83-I102 WeakPolarHBondContact O-CA 3.43Å; I100-I102 HydrophobicContact CB-CD1 4.33Å; I100-I102 HydrophobicContact CG2-CD1 3.66Å; I100-I102 HydrophobicContact CG2-CG1 4.07Å; I102-C105 HydrophobicContact CG2-CB 4.01Å; I102-I110 HydrophobicContact CG2-CD1 4.48Å; I102-F112 HydrophobicContact CD1-CE2 3.67Å; I102-F112 HydrophobicContact CD1-CZ 3.84Å; I102-F112 HydrophobicContact CG1-CE2 4.04Å; I102-F112 HydrophobicContact CG1-CZ 3.73Å; I102-V119 HydrophobicContact CD1-CG1 3.68Å; I102-F120 PolarHBondContact N-O 3.07Å; I102-F121 HydrophobicContact CB-CD1 3.61Å; I102-F121 HydrophobicContact CB-CE1 3.86Å; I102-F121 HydrophobicContact CB-CG 4.31Å; I102-F121 HydrophobicContact CD1-CD1 4.06Å; I102-F121 HydrophobicContact CD1-CD2 4.3Å; I102-F121 HydrophobicContact CD1-CE1 3.86Å; I102-F121 HydrophobicContact CD1-CE2 4.1Å; I102-F121 HydrophobicContact CD1-CG 4.27Å; I102-F121 HydrophobicContact CD1-CZ 3.88Å; I102-F121 HydrophobicContact CG1-CD1 4Å; I102-F121 HydrophobicContact CG1-CE1 3.76Å; I102-F121 HydrophobicContact CG1-CZ 4.23Å; I102-F121 HydrophobicContact CG2-CD1 3.82Å; I102-F121 HydrophobicContact CG2-CE1 3.93Å; I102-F121 CarbonylContact O-C 3.55Å; I102-F121 WeakPolarHBondContact O-CA 3.48Å; I102-R122 PolarHBondContact O-N 3.34Å
103	D	98.8	Very high	98.4	Very high	12 Å²	12	21.9 Å²	21.9	6%	0.064	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	135.3	-170	-63.7	-59.8	0	0	0	110.6	I83 Q84 D85 C105 R122	I83-D103 PolarHBondContact O-N 3.06Å; Q84-D103 CarbonylContact C-O 3.49Å; Q84-D103 VanDerWaalsContact CA-O 3.28Å; Q84-D103 WeakPolarHBondContact CA-O 3.24Å; Q84-D103 HydrophobicContact CB-CB 4.24Å; Q84-D103 HydrophobicContact CG-CB 3.92Å; D85-D103 PolarHBondContact N-O 2.88Å; D103-C105 PolarHBondContact O-N 3.4Å; D103-C105 PolarHBondContact O-SG 2.85Å; D103-R122 WeakPolarHBondContact CA-O 3.49Å; D103-R122 WeakPolarHBondContact OD1-CB 3.4Å; D103-R122 IonicContact OD1-CZ 3.72Å; D103-R122 IonicContact OD1-NE 3.84Å; D103-R122 PolarHBondContact OD1-NE 2.85Å; D103-R122 IonicContact OD1-NH2 2.71Å; D103-R122 PolarHBondContact OD1-NH2 2.83Å; D103-R122 IonicContact OD2-CZ 3.19Å; D103-R122 IonicContact OD2-NE 2.76Å; D103-R122 IonicContact OD2-NH2 3.65Å; D103-R122 PolarHBondContact OD2-NH2 3.37Å
104	D	98.7	Very high	98.5	Very high	70 Å²	70	21.9 Å²	21.9	37%	0.374	12%	0.119	S	C	.	.	S	Bend	trans	55.3	30.1	167.9	-58.6	-74.3	0	0	0	114.2	D85 R122	D85-D104 WeakPolarHBondContact OD1-CB 3.46Å; D104-R122 PolarHBondContact N-O 2.97Å; D104-R122 VanDerWaalsContact N-O 3.12Å
105	C	98.8	Very high	98.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.119	C	C	.	.			trans	-92.3	138.4	-177.4	-69.3	0	0	0	0	111.8	C86 I102 D103 C124 K125 I127	C86-C105 CarbonylContact O-C 3.59Å; C86-C105 VanDerWaalsContact O-CA 3.26Å; C86-C105 WeakPolarHBondContact O-CA 3.47Å; I102-C105 HydrophobicContact CG2-CB 4.01Å; D103-C105 PolarHBondContact O-N 3.4Å; D103-C105 PolarHBondContact O-SG 2.85Å; C105-C124 CarbonylContact O-C 3.59Å; C105-C124 VanDerWaalsContact O-CA 3.32Å; C105-C124 WeakPolarHBondContact O-CA 3.41Å; C105-K125 PolarHBondContact O-N 3.33Å; C105-I127 HydrophobicContact CB-CD1 4.07Å
106	V	98.9	Very high	98.5	Very high	53 Å²	53	28 Å²	28	32%	0.321	15%	0.146	S	C	.	.	B	Isolated β-bridge	trans	-131.6	130	-175.6	-175.9	0	0	0	0	111.8	C86 V87 N88 C108 K125	C86-V106 PolarHBondContact O-N 3.35Å; V87-V106 CarbonylContact C-O 3.53Å; V87-V106 VanDerWaalsContact CA-O 3.27Å; V87-V106 WeakPolarHBondContact CA-O 3.42Å; V87-V106 HydrophobicContact CG1-CB 4.45Å; V87-V106 HydrophobicContact CG2-CB 4.43Å; N88-V106 PolarHBondContact N-O 2.73Å; V106-C108 VanDerWaalsContact C-N 3.33Å; V106-C108 PolarHBondContact O-N 2.93Å; V106-K125 CarbonylContact C-O 3.6Å; V106-K125 VanDerWaalsContact CA-O 3.29Å; V106-K125 WeakPolarHBondContact CA-O 3.49Å; V106-K125 HydrophobicContact CG2-CB 4.45Å
107	N	98.8	Very high	98.5	Very high	84 Å²	84	27.5 Å²	27.5	45%	0.449	15%	0.148	S	C	.	.	S	Bend	trans	56.8	42.9	176.1	-170.5	39.8	0	0	0	113.1	N88 K125 D126	N88-N107 VanDerWaalsContact CA-O 3.23Å; N88-N107 WeakPolarHBondContact CA-O 3.46Å; N88-N107 WeakPolarHBondContact OD1-CB 3.41Å; N88-N107 PolarHBondContact OD1-ND2 2.92Å; N107-K125 PolarHBondContact N-O 2.98Å; N107-D126 WeakPolarHBondContact CA-O 3.38Å; N107-D126 HydrophobicContact CB-CB 4.5Å
108	C	98.8	Very high	98.5	Very high	1 Å²	1	29 Å²	29	1%	0.007	16%	0.158	C	C	.	.			trans	-105	146.4	179.9	-65.4	0	0	0	0	111.8	C86 C89 V106 I110 I127 K128	C86-C108 PolarHBondContact O-SG 3.3Å; C86-C108 VanDerWaalsContact O-SG 3.38Å; C89-C108 PolarHBondContact N-SG 3.45Å; C89-C108 CarbonylContact O-C 3.5Å; C89-C108 VanDerWaalsContact O-CA 3.24Å; C89-C108 WeakPolarHBondContact O-CA 3.11Å; C89-C108 WeakPolarHBondContact O-CB 3.43Å; V106-C108 VanDerWaalsContact C-N 3.33Å; V106-C108 PolarHBondContact O-N 2.93Å; C108-I110 HydrophobicContact CB-CD1 4.02Å; C108-I110 HydrophobicContact CB-CG1 3.97Å; C108-I127 HydrophobicContact CB-CD1 3.79Å; C108-I127 WeakPolarHBondContact O-CA 3.3Å; C108-K128 PolarHBondContact O-N 2.91Å
109	R	98.6	Very high	98.5	Very high	98 Å²	98	27.4 Å²	27.4	37%	0.37	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.2	172.5	-64.4	165.6	-178.6	172.3	-0.1	108.3	C89 N90 I91 K128	C89-R109 PolarHBondContact O-N 3.43Å; N90-R109 CarbonylContact C-O 3.56Å; N90-R109 WeakPolarHBondContact CA-O 3.47Å; N90-R109 VanDerWaalsContact OD1-CD 3.32Å; N90-R109 WeakPolarHBondContact OD1-CD 3.33Å; I91-R109 PolarHBondContact N-O 2.75Å; R109-K128 CarbonylContact C-O 3.6Å; R109-K128 VanDerWaalsContact CA-O 3.25Å; R109-K128 WeakPolarHBondContact CA-O 3.26Å; R109-K128 HydrophobicContact CG-CB 4.37Å
110	I	98.6	Very high	98.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	130.1	-163.3	-50.8	179.1	0	0	0	111.3	I91 I102 C108 F112 F121 I127 K128 C129 V130	I91-I110 HydrophobicContact CB-CG1 4.29Å; I91-I110 HydrophobicContact CB-CG2 4.25Å; I91-I110 CarbonylContact O-C 3.56Å; I91-I110 VanDerWaalsContact O-CA 3.31Å; I91-I110 WeakPolarHBondContact O-CA 2.84Å; I102-I110 HydrophobicContact CG2-CD1 4.48Å; C108-I110 HydrophobicContact CB-CD1 4.02Å; C108-I110 HydrophobicContact CB-CG1 3.97Å; I110-F112 HydrophobicContact CG2-CD1 3.74Å; I110-F112 HydrophobicContact CG2-CD2 4.35Å; I110-F112 HydrophobicContact CG2-CE1 3.2Å; I110-F112 HydrophobicContact CG2-CE2 3.86Å; I110-F112 HydrophobicContact CG2-CG 4.3Å; I110-F112 HydrophobicContact CG2-CZ 3.27Å; I110-F121 HydrophobicContact CD1-CE1 4.35Å; I110-I127 HydrophobicContact CD1-CD1 4.49Å; I110-I127 HydrophobicContact CD1-CG2 4.01Å; I110-I127 HydrophobicContact CG1-CG2 4.42Å; I110-K128 PolarHBondContact N-O 2.8Å; I110-C129 HydrophobicContact CB-CB 3.92Å; I110-C129 CarbonylContact O-C 3.36Å; I110-C129 WeakPolarHBondContact O-CA 3.39Å; I110-C129 WeakPolarHBondContact O-CB 3.44Å; I110-V130 PolarHBondContact O-N 3.38Å
111	V	98.6	Very high	98.6	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.3	168.6	-178.7	0	0	0	0	108.7	I91 F92 V93 L94 V130 Y169 V218	I91-V111 PolarHBondContact O-N 3.48Å; F92-V111 HydrophobicContact CD1-CB 3.88Å; F92-V111 HydrophobicContact CD1-CG2 3.68Å; F92-V111 HydrophobicContact CE1-CB 4.47Å; F92-V111 HydrophobicContact CE1-CG2 3.77Å; V93-V111 PolarHBondContact N-O 3.05Å; L94-V111 HydrophobicContact CD2-CB 4.48Å; L94-V111 HydrophobicContact CD2-CG1 3.92Å; V111-V130 HydrophobicContact CG2-CB 4.48Å; V111-Y169 HydrophobicContact CG1-CD1 4.23Å; V111-Y169 HydrophobicContact CG1-CE1 3.74Å; V111-Y169 HydrophobicContact CG1-CE2 4.37Å; V111-Y169 HydrophobicContact CG2-CE2 4.16Å; V111-V218 HydrophobicContact CG2-CG1 3.47Å; V111-V218 VanDerWaalsContact CG2-CG1 3.47Å
112	F	97.9	Very high	98.6	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.009	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	134.5	169.6	-60.8	-37	0	0	0	110.6	I83 V93 I100 I102 I110 V119 F121 V130 V131	I83-F112 HydrophobicContact CD1-CE1 3.54Å; I83-F112 HydrophobicContact CD1-CZ 3.69Å; V93-F112 HydrophobicContact CB-CD1 3.95Å; V93-F112 HydrophobicContact CG2-CD1 3.93Å; V93-F112 HydrophobicContact CG2-CE1 4.01Å; V93-F112 CarbonylContact O-C 3.54Å; I100-F112 HydrophobicContact CD1-CB 4.11Å; I100-F112 HydrophobicContact CD1-CD1 3.68Å; I100-F112 HydrophobicContact CD1-CD2 4.04Å; I100-F112 HydrophobicContact CD1-CE1 4.03Å; I100-F112 HydrophobicContact CD1-CE2 4.39Å; I100-F112 HydrophobicContact CD1-CG 3.68Å; I100-F112 HydrophobicContact CD1-CZ 4.36Å; I100-F112 HydrophobicContact CG2-CE1 4.16Å; I100-F112 HydrophobicContact CG2-CE2 4.14Å; I100-F112 HydrophobicContact CG2-CZ 3.79Å; I102-F112 HydrophobicContact CD1-CE2 3.67Å; I102-F112 HydrophobicContact CD1-CZ 3.84Å; I102-F112 HydrophobicContact CG1-CE2 4.04Å; I102-F112 HydrophobicContact CG1-CZ 3.73Å; I110-F112 HydrophobicContact CG2-CD1 3.74Å; I110-F112 HydrophobicContact CG2-CD2 4.35Å; I110-F112 HydrophobicContact CG2-CE1 3.2Å; I110-F112 HydrophobicContact CG2-CE2 3.86Å; I110-F112 HydrophobicContact CG2-CG 4.3Å; I110-F112 HydrophobicContact CG2-CZ 3.27Å; F112-V119 HydrophobicContact CD2-CG1 4.18Å; F112-V119 HydrophobicContact CD2-CG2 4.5Å; F112-V119 HydrophobicContact CE2-CG1 4Å; F112-F121 AromaticContact CE2-CZ 3.91Å; F112-F121 HydrophobicContact CE2-CZ 3.91Å; F112-V130 PolarHBondContact N-O 3.31Å; F112-V131 HydrophobicContact CB-CG2 4.49Å; F112-V131 HydrophobicContact CD2-CB 4.41Å; F112-V131 HydrophobicContact CD2-CG1 4.06Å; F112-V131 HydrophobicContact CD2-CG2 3.61Å; F112-V131 HydrophobicContact CE2-CG2 4.28Å; F112-V131 HydrophobicContact CG-CG2 4.4Å
113	G	97.4	Very high	98.6	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.01	17%	0.165	C	C	.	.			trans	-63.3	173.2	158.5	0	0	0	0	0	111.3	V93 D95 V115	V93-G113 PolarHBondContact O-N 2.75Å; D95-G113 WeakPolarHBondContact O-CA 3.16Å; G113-V115 WeakPolarHBondContact O-CG2 3.34Å; G113-V115 PolarHBondContact O-N 3.16Å
114	P	98.7	Very high	98.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.			trans	-57.1	125.2	-176.7	-29.3	39.7	0	0	0	113.3	H96 S97 A132 L174 H177 F178 A181 L183	H96-P114 WeakPolarHBondContact CA-O 3.42Å; S97-P114 PolarHBondContact N-O 2.91Å; P114-A132 HydrophobicContact CG-CB 4.48Å; P114-L174 HydrophobicContact CG-CD1 3.75Å; P114-H177 HydrophobicContact CG-CB 4Å; P114-F178 HydrophobicContact CB-CD1 4.31Å; P114-F178 HydrophobicContact CB-CD2 4.44Å; P114-F178 HydrophobicContact CB-CG 4.21Å; P114-F178 HydrophobicContact CG-CB 4.22Å; P114-F178 HydrophobicContact CG-CD1 4.1Å; P114-F178 HydrophobicContact CG-CD2 3.43Å; P114-F178 VanDerWaalsContact CG-CD2 3.43Å; P114-F178 HydrophobicContact CG-CE1 4.34Å; P114-F178 HydrophobicContact CG-CE2 3.71Å; P114-F178 HydrophobicContact CG-CG 3.63Å; P114-F178 HydrophobicContact CG-CZ 4.15Å; P114-A181 HydrophobicContact CB-CB 3.69Å; P114-L183 HydrophobicContact CB-CD1 4.13Å
115	V	98.8	Very high	98.6	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	111.7	-179.3	-174.3	0	0	0	0	109.9	S97 I100 G113 G117 V119 A132 C133 Q134	S97-V115 CarbonylContact O-C 3.58Å; S97-V115 WeakPolarHBondContact O-CA 3.38Å; I100-V115 HydrophobicContact CD1-CG2 3.59Å; I100-V115 HydrophobicContact CG1-CG1 4.26Å; I100-V115 HydrophobicContact CG1-CG2 3.88Å; G113-V115 WeakPolarHBondContact O-CG2 3.34Å; G113-V115 PolarHBondContact O-N 3.16Å; V115-G117 PolarHBondContact O-N 2.99Å; V115-G117 VanDerWaalsContact O-N 3.17Å; V115-V119 HydrophobicContact CB-CG2 3.76Å; V115-V119 HydrophobicContact CG1-CG2 3.88Å; V115-V119 HydrophobicContact CG2-CG2 3.56Å; V115-A132 PolarHBondContact N-O 2.88Å; V115-C133 HydrophobicContact CB-CB 4Å; V115-C133 CarbonylContact O-C 3.55Å; V115-C133 VanDerWaalsContact O-CA 3.29Å; V115-C133 WeakPolarHBondContact O-CA 3.43Å; V115-Q134 PolarHBondContact O-N 2.83Å; V115-Q134 VanDerWaalsContact O-N 3.1Å
116	K	98.6	Very high	98.6	Very high	129 Å²	129	36.4 Å²	36.4	56%	0.561	18%	0.177	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-54	-38	-176.3	173.9	169.4	-178.8	172.6	0	113.6	S97 Q134 A181	S97-K116 PolarHBondContact O-N 3.15Å; K116-Q134 WeakPolarHBondContact O-CB 3.19Å; K116-Q134 PolarHBondContact O-OE1 3.39Å; K116-A181 WeakPolarHBondContact CA-O 3.45Å; K116-A181 HydrophobicContact CB-CB 4.31Å; K116-A181 WeakPolarHBondContact CB-O 3.14Å; K116-A181 WeakPolarHBondContact CG-O 3.37Å
117	G	98.1	Very high	98.6	Very high	16 Å²	16	33.9 Å²	33.9	17%	0.165	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-127.4	-179.7	0	0	0	0	0	111.9	A98 V115 Q134 Q135	A98-G117 WeakPolarHBondContact O-CA 3.48Å; A98-G117 PolarHBondContact O-N 3.32Å; V115-G117 PolarHBondContact O-N 2.99Å; V115-G117 VanDerWaalsContact O-N 3.17Å; G117-Q134 WeakPolarHBondContact O-CB 3.39Å; G117-Q134 PolarHBondContact O-N 3.19Å; G117-Q134 VanDerWaalsContact O-N 3.11Å; G117-Q135 PolarHBondContact O-N 2.56Å; G117-Q135 VanDerWaalsContact O-N 3.14Å
118	S	98.1	Very high	98.6	Very high	31 Å²	31	32.8 Å²	32.8	22%	0.217	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	143	-175.2	57.7	0	0	0	0	113.4	T99 I100 Q135	T99-S118 WeakPolarHBondContact CA-O 3.4Å; T99-S118 PolarHBondContact OG1-O 3.48Å; T99-S118 PolarHBondContact OG1-OG 3.31Å; I100-S118 PolarHBondContact N-O 2.84Å; S118-Q135 CarbonylContact C-O 3.56Å; S118-Q135 VanDerWaalsContact CA-O 3.25Å; S118-Q135 WeakPolarHBondContact CA-O 3.44Å
119	V	98.9	Very high	98.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.2	156.9	177	0	0	0	0	107.5	I100 I102 F112 V115 F121 V131 C133 Q135 R137	I100-V119 HydrophobicContact CB-CG2 4.4Å; I100-V119 WeakPolarHBondContact O-CA 3.31Å; I102-V119 HydrophobicContact CD1-CG1 3.68Å; F112-V119 HydrophobicContact CD2-CG1 4.18Å; F112-V119 HydrophobicContact CD2-CG2 4.5Å; F112-V119 HydrophobicContact CE2-CG1 4Å; V115-V119 HydrophobicContact CB-CG2 3.76Å; V115-V119 HydrophobicContact CG1-CG2 3.88Å; V115-V119 HydrophobicContact CG2-CG2 3.56Å; V119-F121 HydrophobicContact CG1-CD2 4.01Å; V119-F121 HydrophobicContact CG1-CE2 3.46Å; V119-F121 VanDerWaalsContact CG1-CE2 3.46Å; V119-F121 HydrophobicContact CG1-CZ 4.17Å; V119-V131 HydrophobicContact CB-CG1 4.22Å; V119-V131 HydrophobicContact CG1-CG1 4.21Å; V119-V131 HydrophobicContact CG2-CG1 3.8Å; V119-C133 HydrophobicContact CB-CB 4.26Å; V119-C133 HydrophobicContact CG2-CB 3.64Å; V119-Q135 PolarHBondContact N-O 3.1Å; V119-R137 PolarHBondContact O-N 2.86Å
120	F	98.8	Very high	98.6	Very high	50 Å²	50	28 Å²	28	22%	0.219	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	111.2	-176.9	-165	-179.2	0	0	0	111.1	I100 I102 R122 R137 R139	I100-F120 PolarHBondContact O-N 3Å; I102-F120 PolarHBondContact N-O 3.07Å; F120-R122 HydrophobicContact CD1-CG 4.38Å; F120-R122 HydrophobicContact CD2-CG 3.8Å; F120-R122 HydrophobicContact CE1-CG 4.16Å; F120-R122 HydrophobicContact CE2-CG 3.54Å; F120-R122 HydrophobicContact CG-CG 4.22Å; F120-R122 HydrophobicContact CZ-CG 3.74Å; F120-R137 WeakPolarHBondContact CA-O 3.13Å; F120-R137 HydrophobicContact CB-CB 4.46Å; F120-R137 HydrophobicContact CD2-CB 3.6Å; F120-R137 HydrophobicContact CE2-CB 3.99Å; F120-R137 HydrophobicContact CG-CB 4.08Å; F120-R139 HydrophobicContact CE2-CB 3.83Å; F120-R139 HydrophobicContact CZ-CB 4.24Å
121	F	98.9	Very high	98.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	130.1	169.2	-66.3	-91.4	0	0	0	110.4	I102 I110 F112 V119 C124 I127 F136 R137 A138 R139 M144	I102-F121 HydrophobicContact CB-CD1 3.61Å; I102-F121 HydrophobicContact CB-CE1 3.86Å; I102-F121 HydrophobicContact CB-CG 4.31Å; I102-F121 HydrophobicContact CD1-CD1 4.06Å; I102-F121 HydrophobicContact CD1-CD2 4.3Å; I102-F121 HydrophobicContact CD1-CE1 3.86Å; I102-F121 HydrophobicContact CD1-CE2 4.1Å; I102-F121 HydrophobicContact CD1-CG 4.27Å; I102-F121 HydrophobicContact CD1-CZ 3.88Å; I102-F121 HydrophobicContact CG1-CD1 4Å; I102-F121 HydrophobicContact CG1-CE1 3.76Å; I102-F121 HydrophobicContact CG1-CZ 4.23Å; I102-F121 HydrophobicContact CG2-CD1 3.82Å; I102-F121 HydrophobicContact CG2-CE1 3.93Å; I102-F121 CarbonylContact O-C 3.55Å; I102-F121 WeakPolarHBondContact O-CA 3.48Å; I110-F121 HydrophobicContact CD1-CE1 4.35Å; F112-F121 AromaticContact CE2-CZ 3.91Å; F112-F121 HydrophobicContact CE2-CZ 3.91Å; V119-F121 HydrophobicContact CG1-CD2 4.01Å; V119-F121 HydrophobicContact CG1-CE2 3.46Å; V119-F121 VanDerWaalsContact CG1-CE2 3.46Å; V119-F121 HydrophobicContact CG1-CZ 4.17Å; F121-C124 HydrophobicContact CD1-CB 4.4Å; F121-I127 HydrophobicContact CE1-CG2 4.2Å; F121-F136 AromaticContact CD2-CE2 3.9Å; F121-F136 HydrophobicContact CD2-CE2 3.9Å; F121-F136 HydrophobicContact CD2-CZ 4.05Å; F121-F136 AromaticContact CE2-CE2 3.71Å; F121-F136 HydrophobicContact CE2-CE2 3.71Å; F121-F136 HydrophobicContact CE2-CZ 4.25Å; F121-R137 PolarHBondContact N-O 3.08Å; F121-A138 HydrophobicContact CB-CB 4.33Å; F121-A138 CarbonylContact O-C 3.56Å; F121-A138 WeakPolarHBondContact O-CA 3.19Å; F121-R139 PolarHBondContact O-N 3.22Å; F121-M144 HydrophobicContact CB-CE 4.21Å; F121-M144 HydrophobicContact CB-SD 4.34Å; F121-M144 HydrophobicContact CD1-CE 3.45Å; F121-M144 VanDerWaalsContact CD1-CE 3.45Å; F121-M144 HydrophobicContact CD1-SD 4.48Å; F121-M144 HydrophobicContact CD2-CE 3.93Å; F121-M144 HydrophobicContact CE1-CE 3.67Å; F121-M144 HydrophobicContact CE2-CE 4.13Å; F121-M144 HydrophobicContact CG-CE 3.59Å; F121-M144 HydrophobicContact CG-SD 4.36Å; F121-M144 HydrophobicContact CZ-CE 4.01Å
122	R	98.8	Very high	98.5	Very high	74 Å²	74	28 Å²	28	28%	0.279	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	134.2	175	-61.3	175.7	-69.8	-177.4	3.8	109.2	I102 D103 D104 F120 C124 R139	I102-R122 PolarHBondContact O-N 3.34Å; D103-R122 WeakPolarHBondContact CA-O 3.49Å; D103-R122 WeakPolarHBondContact OD1-CB 3.4Å; D103-R122 IonicContact OD1-CZ 3.72Å; D103-R122 IonicContact OD1-NE 3.84Å; D103-R122 PolarHBondContact OD1-NE 2.85Å; D103-R122 IonicContact OD1-NH2 2.71Å; D103-R122 PolarHBondContact OD1-NH2 2.83Å; D103-R122 IonicContact OD2-CZ 3.19Å; D103-R122 IonicContact OD2-NE 2.76Å; D103-R122 IonicContact OD2-NH2 3.65Å; D103-R122 PolarHBondContact OD2-NH2 3.37Å; D104-R122 PolarHBondContact N-O 2.97Å; D104-R122 VanDerWaalsContact N-O 3.12Å; F120-R122 HydrophobicContact CD1-CG 4.38Å; F120-R122 HydrophobicContact CD2-CG 3.8Å; F120-R122 HydrophobicContact CE1-CG 4.16Å; F120-R122 HydrophobicContact CE2-CG 3.54Å; F120-R122 HydrophobicContact CG-CG 4.22Å; F120-R122 HydrophobicContact CZ-CG 3.74Å; R122-C124 PolarHBondContact O-N 3.33Å; R122-C124 PolarHBondContact O-SG 3.38Å; R122-R139 VanDerWaalsContact CA-O 3.32Å; R122-R139 WeakPolarHBondContact CA-O 3.3Å
123	D	98.7	Very high	98.6	Very high	78 Å²	78	28 Å²	28	42%	0.417	14%	0.135	S	C	.	.	S	Bend	trans	55.5	30.6	173.9	-59.7	-76.8	0	0	0	113.7	R139 D140	D123-R139 PolarHBondContact N-O 3.44Å; D123-R139 VanDerWaalsContact N-O 3.14Å; D123-D140 WeakPolarHBondContact CA-O 3.42Å; D123-D140 WeakPolarHBondContact OD1-CB 3.47Å
124	C	98.8	Very high	98.6	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.007	15%	0.153	C	C	.	.			trans	-97.1	146.4	-176.1	-70.7	0	0	0	0	112.5	C105 F121 R122 I127 C141 K142	C105-C124 CarbonylContact O-C 3.59Å; C105-C124 VanDerWaalsContact O-CA 3.32Å; C105-C124 WeakPolarHBondContact O-CA 3.41Å; F121-C124 HydrophobicContact CD1-CB 4.4Å; R122-C124 PolarHBondContact O-N 3.33Å; R122-C124 PolarHBondContact O-SG 3.38Å; C124-I127 HydrophobicContact CB-CD1 4.49Å; C124-I127 HydrophobicContact CB-CG1 3.87Å; C124-C141 CarbonylContact O-C 3.59Å; C124-C141 WeakPolarHBondContact O-CA 3.2Å; C124-K142 PolarHBondContact O-N 3.03Å
125	K	98.9	Very high	98.6	Very high	94 Å²	94	34.7 Å²	34.7	41%	0.409	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	140.8	-177.1	-173.9	-175.2	171	-164.6	0	113.4	C105 V106 N107 I127 K142	C105-K125 PolarHBondContact O-N 3.33Å; V106-K125 CarbonylContact C-O 3.6Å; V106-K125 VanDerWaalsContact CA-O 3.29Å; V106-K125 WeakPolarHBondContact CA-O 3.49Å; V106-K125 HydrophobicContact CG2-CB 4.45Å; N107-K125 PolarHBondContact N-O 2.98Å; K125-I127 VanDerWaalsContact C-N 3.32Å; K125-I127 PolarHBondContact O-N 3.31Å; K125-K142 CarbonylContact C-O 3.56Å; K125-K142 VanDerWaalsContact CA-O 3.26Å; K125-K142 WeakPolarHBondContact CA-O 3.4Å; K125-K142 HydrophobicContact CG-CB 4.27Å
126	D	98.8	Very high	98.6	Very high	51 Å²	51	34.8 Å²	34.8	27%	0.273	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	55.7	46.3	176.5	-63.8	-60.7	0	0	0	111.2	N107 K142 K143	N107-D126 WeakPolarHBondContact CA-O 3.38Å; N107-D126 HydrophobicContact CB-CB 4.5Å; D126-K142 PolarHBondContact N-O 3.23Å; D126-K143 CarbonylContact C-O 3.55Å; D126-K143 WeakPolarHBondContact CA-O 3.43Å; D126-K143 PolarHBondContact N-O 3.06Å; D126-K143 WeakPolarHBondContact OD1-CD 3.17Å
127	I	98.9	Very high	98.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	137.9	-179.5	-56.2	-61.9	0	0	0	110.3	C105 C108 I110 F121 C124 K125 C129 K143 M144 D145	C105-I127 HydrophobicContact CB-CD1 4.07Å; C108-I127 HydrophobicContact CB-CD1 3.79Å; C108-I127 WeakPolarHBondContact O-CA 3.3Å; I110-I127 HydrophobicContact CD1-CD1 4.49Å; I110-I127 HydrophobicContact CD1-CG2 4.01Å; I110-I127 HydrophobicContact CG1-CG2 4.42Å; F121-I127 HydrophobicContact CE1-CG2 4.2Å; C124-I127 HydrophobicContact CB-CD1 4.49Å; C124-I127 HydrophobicContact CB-CG1 3.87Å; K125-I127 VanDerWaalsContact C-N 3.32Å; K125-I127 PolarHBondContact O-N 3.31Å; I127-C129 HydrophobicContact CG2-CB 4.19Å; I127-K143 PolarHBondContact N-O 2.94Å; I127-M144 HydrophobicContact CB-CE 3.69Å; I127-M144 HydrophobicContact CB-CG 4.03Å; I127-M144 HydrophobicContact CB-SD 4.44Å; I127-M144 HydrophobicContact CG1-CE 4.13Å; I127-M144 HydrophobicContact CG1-CG 4.47Å; I127-M144 HydrophobicContact CG2-CE 3.76Å; I127-M144 CarbonylContact O-C 3.55Å; I127-M144 VanDerWaalsContact O-CA 3.25Å; I127-M144 WeakPolarHBondContact O-CA 3.44Å; I127-D145 PolarHBondContact O-N 3.29Å
128	K	98.9	Very high	98.7	Very high	61 Å²	61	33 Å²	33	27%	0.265	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.3	168.7	-57.8	-174	176.8	-169.8	0	108.7	C108 R109 I110 D145 F217 V218	C108-K128 PolarHBondContact O-N 2.91Å; R109-K128 CarbonylContact C-O 3.6Å; R109-K128 VanDerWaalsContact CA-O 3.25Å; R109-K128 WeakPolarHBondContact CA-O 3.26Å; R109-K128 HydrophobicContact CG-CB 4.37Å; I110-K128 PolarHBondContact N-O 2.8Å; K128-D145 CarbonylContact C-O 3.54Å; K128-D145 WeakPolarHBondContact CA-O 3.48Å; K128-D145 HydrophobicContact CG-CB 4.33Å; K128-F217 HydrophobicContact CB-CB 4.29Å; K128-F217 WeakPolarHBondContact CB-O 3.42Å; K128-F217 HydrophobicContact CD-CB 3.99Å; K128-F217 HydrophobicContact CD-CD1 4.09Å; K128-F217 HydrophobicContact CD-CG 4.48Å; K128-F217 WeakPolarHBondContact CD-O 3.4Å; K128-V218 HydrophobicContact CB-CG2 4.11Å
129	C	98.3	Very high	98.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	156.1	-174.7	63.9	0	0	0	0	116.1	I110 I127 V131 D145 V146 F147	I110-C129 HydrophobicContact CB-CB 3.92Å; I110-C129 CarbonylContact O-C 3.36Å; I110-C129 WeakPolarHBondContact O-CA 3.39Å; I110-C129 WeakPolarHBondContact O-CB 3.44Å; I127-C129 HydrophobicContact CG2-CB 4.19Å; C129-V131 HydrophobicContact CB-CG2 4.04Å; C129-D145 PolarHBondContact N-O 2.7Å; C129-V146 CarbonylContact O-C 3.52Å; C129-V146 WeakPolarHBondContact O-CA 3.38Å; C129-F147 PolarHBondContact O-N 2.82Å
130	V	98.8	Very high	98.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	119.7	170.3	-174.4	0	0	0	0	107.5	I110 V111 F112 F147 F167 Y169 V214 V218	I110-V130 PolarHBondContact O-N 3.38Å; V111-V130 HydrophobicContact CG2-CB 4.48Å; F112-V130 PolarHBondContact N-O 3.31Å; V130-F147 WeakPolarHBondContact CA-O 3.48Å; V130-F147 HydrophobicContact CB-CB 4.44Å; V130-F147 HydrophobicContact CG1-CB 4.28Å; V130-F147 HydrophobicContact CG2-CB 4.12Å; V130-F147 HydrophobicContact CG2-CD2 4.24Å; V130-F147 HydrophobicContact CG2-CG 4.48Å; V130-F167 HydrophobicContact CG1-CD2 3.68Å; V130-F167 HydrophobicContact CG1-CE2 3.57Å; V130-F167 HydrophobicContact CG1-CG 4.39Å; V130-F167 HydrophobicContact CG1-CZ 4.18Å; V130-Y169 HydrophobicContact CG1-CD2 4.19Å; V130-Y169 HydrophobicContact CG1-CG 4.26Å; V130-Y169 HydrophobicContact CG2-CD2 4.38Å; V130-V214 HydrophobicContact CG2-CG1 3.65Å; V130-V218 HydrophobicContact CG2-CB 4.34Å; V130-V218 HydrophobicContact CG2-CG2 4.18Å
131	V	97.8	Very high	98.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	132.2	-169.1	-178.7	0	0	0	0	111.1	F112 V119 C129 C133 F147 L148 C149 F167	F112-V131 HydrophobicContact CB-CG2 4.49Å; F112-V131 HydrophobicContact CD2-CB 4.41Å; F112-V131 HydrophobicContact CD2-CG1 4.06Å; F112-V131 HydrophobicContact CD2-CG2 3.61Å; F112-V131 HydrophobicContact CE2-CG2 4.28Å; F112-V131 HydrophobicContact CG-CG2 4.4Å; V119-V131 HydrophobicContact CB-CG1 4.22Å; V119-V131 HydrophobicContact CG1-CG1 4.21Å; V119-V131 HydrophobicContact CG2-CG1 3.8Å; C129-V131 HydrophobicContact CB-CG2 4.04Å; V131-C133 HydrophobicContact CG1-CB 4.31Å; V131-F147 PolarHBondContact N-O 3.11Å; V131-L148 HydrophobicContact CB-CD1 4.37Å; V131-L148 CarbonylContact O-C 3.55Å; V131-L148 WeakPolarHBondContact O-CA 3.49Å; V131-C149 PolarHBondContact O-N 3.37Å; V131-F167 WeakPolarHBondContact O-CD2 3.29Å
132	A	98.6	Very high	98.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.1	165.1	0	0	0	0	0	109.8	P114 V115 C149 F167 F178	P114-A132 HydrophobicContact CG-CB 4.48Å; V115-A132 PolarHBondContact N-O 2.88Å; A132-C149 CarbonylContact C-O 3.5Å; A132-C149 WeakPolarHBondContact CA-O 3.41Å; A132-C149 HydrophobicContact CB-CB 3.91Å; A132-F167 HydrophobicContact CB-CD2 4.13Å; A132-F167 HydrophobicContact CB-CE2 3.85Å; A132-F178 HydrophobicContact CB-CE1 3.79Å; A132-F178 HydrophobicContact CB-CE2 4.35Å; A132-F178 HydrophobicContact CB-CZ 3.47Å; A132-F178 VanDerWaalsContact CB-CZ 3.47Å
133	C	98.8	Very high	98.7	Very high	1 Å²	1	43 Å²	43	1%	0.007	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	162.7	-177.1	58.9	0	0	0	0	113.1	V115 V119 V131 C149 C150 A151	V115-C133 HydrophobicContact CB-CB 4Å; V115-C133 CarbonylContact O-C 3.55Å; V115-C133 VanDerWaalsContact O-CA 3.29Å; V115-C133 WeakPolarHBondContact O-CA 3.43Å; V119-C133 HydrophobicContact CB-CB 4.26Å; V119-C133 HydrophobicContact CG2-CB 3.64Å; V131-C133 HydrophobicContact CG1-CB 4.31Å; C133-C149 PolarHBondContact N-O 2.72Å; C133-C150 WeakPolarHBondContact O-CA 3.38Å; C133-A151 PolarHBondContact O-N 3.35Å; C133-A151 VanDerWaalsContact O-N 3.14Å
134	Q	98.4	Very high	98.7	Very high	83 Å²	83	39.3 Å²	39.3	39%	0.388	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	-49	168	-173.8	-178.4	51.6	0	0	110.9	V115 K116 G117 A151 T152 L183	V115-Q134 PolarHBondContact O-N 2.83Å; V115-Q134 VanDerWaalsContact O-N 3.1Å; K116-Q134 WeakPolarHBondContact O-CB 3.19Å; K116-Q134 PolarHBondContact O-OE1 3.39Å; G117-Q134 WeakPolarHBondContact O-CB 3.39Å; G117-Q134 PolarHBondContact O-N 3.19Å; G117-Q134 VanDerWaalsContact O-N 3.11Å; Q134-A151 HydrophobicContact CG-CB 4.33Å; Q134-A151 PolarHBondContact O-N 3.04Å; Q134-T152 HydrophobicContact CG-CG2 4.45Å; Q134-T152 PolarHBondContact O-N 3.14Å; Q134-T152 PolarHBondContact O-OG1 3.12Å; Q134-T152 VanDerWaalsContact O-OG1 3.06Å; Q134-L183 HydrophobicContact CB-CD2 3.97Å
135	Q	98.4	Very high	98.7	Very high	60 Å²	60	40.4 Å²	40.4	28%	0.28	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.1	-178.9	-59.1	-178.9	0	0	0	110.7	G117 S118 V119 T152	G117-Q135 PolarHBondContact O-N 2.56Å; G117-Q135 VanDerWaalsContact O-N 3.14Å; S118-Q135 CarbonylContact C-O 3.56Å; S118-Q135 VanDerWaalsContact CA-O 3.25Å; S118-Q135 WeakPolarHBondContact CA-O 3.44Å; V119-Q135 PolarHBondContact N-O 3.1Å; Q135-T152 HydrophobicContact CG-CG2 4.23Å
136	F	98.8	Very high	98.7	Very high	1 Å²	1	36 Å²	36	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.5	171.8	-177.8	-87.5	0	0	0	110	F121 A138 V146 L148 C150 P154 I155 F164	F121-F136 AromaticContact CD2-CE2 3.9Å; F121-F136 HydrophobicContact CD2-CE2 3.9Å; F121-F136 HydrophobicContact CD2-CZ 4.05Å; F121-F136 AromaticContact CE2-CE2 3.71Å; F121-F136 HydrophobicContact CE2-CE2 3.71Å; F121-F136 HydrophobicContact CE2-CZ 4.25Å; F136-A138 HydrophobicContact CE1-CB 3.99Å; F136-A138 HydrophobicContact CZ-CB 4.36Å; F136-V146 HydrophobicContact CE2-CG1 3.88Å; F136-V146 HydrophobicContact CZ-CG1 4.22Å; F136-V146 HydrophobicContact CZ-CG2 4.18Å; F136-L148 HydrophobicContact CB-CD1 4.15Å; F136-L148 HydrophobicContact CB-CD2 4.12Å; F136-L148 HydrophobicContact CD1-CD2 4.44Å; F136-L148 HydrophobicContact CD2-CD1 3.73Å; F136-L148 HydrophobicContact CD2-CD2 4.28Å; F136-L148 HydrophobicContact CE2-CD1 4.48Å; F136-L148 HydrophobicContact CG-CD1 4.14Å; F136-L148 HydrophobicContact CG-CD2 4.02Å; F136-C150 PolarHBondContact N-SG 3.41Å; F136-C150 VanDerWaalsContact N-SG 3.42Å; F136-P154 HydrophobicContact CB-CB 4.1Å; F136-P154 HydrophobicContact CD1-CB 4.05Å; F136-P154 HydrophobicContact CG-CB 4.42Å; F136-I155 PolarHBondContact O-N 3.27Å; F136-F164 HydrophobicContact CD1-CE1 4.22Å; F136-F164 AromaticContact CE1-CE1 3.73Å; F136-F164 HydrophobicContact CE1-CE1 3.73Å; F136-F164 HydrophobicContact CE1-CZ 4Å; F136-F164 HydrophobicContact CZ-CE1 4.09Å
137	R	98.8	Very high	98.7	Very high	106 Å²	106	33.8 Å²	33.8	40%	0.4	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135.1	174.7	-58.3	-174.7	-170.5	-153.4	2.1	110.1	V119 F120 F121 I155	V119-R137 PolarHBondContact O-N 2.86Å; F120-R137 WeakPolarHBondContact CA-O 3.13Å; F120-R137 HydrophobicContact CB-CB 4.46Å; F120-R137 HydrophobicContact CD2-CB 3.6Å; F120-R137 HydrophobicContact CE2-CB 3.99Å; F120-R137 HydrophobicContact CG-CB 4.08Å; F121-R137 PolarHBondContact N-O 3.08Å; R137-I155 WeakPolarHBondContact CA-O 3.5Å
138	A	98.8	Very high	98.7	Very high	2 Å²	2	33.8 Å²	33.8	2%	0.017	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	129.3	168.5	0	0	0	0	0	109.7	F121 F136 C141 I155 I156 E157 M162	F121-A138 HydrophobicContact CB-CB 4.33Å; F121-A138 CarbonylContact O-C 3.56Å; F121-A138 WeakPolarHBondContact O-CA 3.19Å; F136-A138 HydrophobicContact CE1-CB 3.99Å; F136-A138 HydrophobicContact CZ-CB 4.36Å; A138-C141 HydrophobicContact CB-CB 4.36Å; A138-I155 PolarHBondContact N-O 3.39Å; A138-I156 HydrophobicContact CB-CG2 4.29Å; A138-I156 CarbonylContact O-C 3.56Å; A138-I156 WeakPolarHBondContact O-CA 3.48Å; A138-E157 PolarHBondContact O-N 2.95Å; A138-M162 HydrophobicContact CB-CE 3.73Å
139	R	98.7	Very high	98.7	Very high	85 Å²	85	31 Å²	31	32%	0.321	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	140.2	174.7	-162.3	-172.6	67.9	-159.4	-6	110.3	F120 F121 R122 D123 C141 E157	F120-R139 HydrophobicContact CE2-CB 3.83Å; F120-R139 HydrophobicContact CZ-CB 4.24Å; F121-R139 PolarHBondContact O-N 3.22Å; R122-R139 VanDerWaalsContact CA-O 3.32Å; R122-R139 WeakPolarHBondContact CA-O 3.3Å; D123-R139 PolarHBondContact N-O 3.44Å; D123-R139 VanDerWaalsContact N-O 3.14Å; R139-C141 PolarHBondContact O-N 3.48Å; R139-C141 VanDerWaalsContact O-N 3.14Å; R139-C141 PolarHBondContact O-SG 3.3Å; R139-E157 VanDerWaalsContact CA-O 3.25Å; R139-E157 WeakPolarHBondContact CA-O 3.27Å; R139-E157 WeakPolarHBondContact CD-OE2 3.48Å; R139-E157 HydrophobicContact CG-CB 4.02Å; R139-E157 HydrophobicContact CG-CG 4.06Å
140	D	98.6	Very high	98.7	Very high	63 Å²	63	31 Å²	31	34%	0.337	14%	0.137	S	C	.	.	S	Bend	trans	57.2	31	176.4	-52.7	-54.7	0	0	0	112.8	D123 E157 S158 S159	D123-D140 WeakPolarHBondContact CA-O 3.42Å; D123-D140 WeakPolarHBondContact OD1-CB 3.47Å; D140-E157 PolarHBondContact N-O 2.85Å; D140-E157 VanDerWaalsContact N-O 3.12Å; D140-S158 WeakPolarHBondContact CA-O 3.29Å; D140-S158 WeakPolarHBondContact OD1-CB 3.33Å; D140-S159 PolarHBondContact N-OG 2.9Å
141	C	98.8	Very high	98.6	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.014	14%	0.143	C	C	.	.			trans	-102.2	151.3	-174.5	-70.1	0	0	0	0	112.7	C124 A138 R139 M144 S159 T160 M162	C124-C141 CarbonylContact O-C 3.59Å; C124-C141 WeakPolarHBondContact O-CA 3.2Å; A138-C141 HydrophobicContact CB-CB 4.36Å; R139-C141 PolarHBondContact O-N 3.48Å; R139-C141 VanDerWaalsContact O-N 3.14Å; R139-C141 PolarHBondContact O-SG 3.3Å; C141-M144 HydrophobicContact CB-CG 4.38Å; C141-M144 HydrophobicContact CB-SD 3.64Å; C141-S159 PolarHBondContact N-OG 2.92Å; C141-S159 CarbonylContact O-C 3.57Å; C141-S159 WeakPolarHBondContact O-CA 3.37Å; C141-S159 VanDerWaalsContact O-CB 3.27Å; C141-S159 WeakPolarHBondContact O-CB 3.47Å; C141-T160 PolarHBondContact O-N 2.81Å; C141-M162 HydrophobicContact CB-CE 4.23Å; C141-M162 HydrophobicContact CB-SD 4.13Å
142	K	98.7	Very high	98.6	Very high	104 Å²	104	33.3 Å²	33.3	45%	0.452	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	132	-179.7	-177.4	165	-172.5	168.2	0	113.1	C124 K125 D126 T160	C124-K142 PolarHBondContact O-N 3.03Å; K125-K142 CarbonylContact C-O 3.56Å; K125-K142 VanDerWaalsContact CA-O 3.26Å; K125-K142 WeakPolarHBondContact CA-O 3.4Å; K125-K142 HydrophobicContact CG-CB 4.27Å; D126-K142 PolarHBondContact N-O 3.23Å; K142-T160 WeakPolarHBondContact CA-O 3.47Å; K142-T160 HydrophobicContact CB-CG2 4.49Å; K142-T160 HydrophobicContact CD-CG2 4.16Å; K142-T160 HydrophobicContact CG-CG2 4.01Å
143	K	98.6	Very high	98.5	Very high	112 Å²	112	35.4 Å²	35.4	49%	0.487	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	55.3	72	177.5	-64.1	173.8	175.4	-172.1	0	111.6	D126 I127 T160 G161	D126-K143 CarbonylContact C-O 3.55Å; D126-K143 WeakPolarHBondContact CA-O 3.43Å; D126-K143 PolarHBondContact N-O 3.06Å; D126-K143 WeakPolarHBondContact OD1-CD 3.17Å; I127-K143 PolarHBondContact N-O 2.94Å; K143-T160 PolarHBondContact N-O 3.19Å; K143-G161 VanDerWaalsContact CA-O 3.27Å; K143-G161 WeakPolarHBondContact CA-O 3.17Å
144	M	98.8	Very high	98.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.7	175.1	-63.8	-169.9	65.7	0	0	110.4	F121 I127 C141 V146 G161 M162 K163	F121-M144 HydrophobicContact CB-CE 4.21Å; F121-M144 HydrophobicContact CB-SD 4.34Å; F121-M144 HydrophobicContact CD1-CE 3.45Å; F121-M144 VanDerWaalsContact CD1-CE 3.45Å; F121-M144 HydrophobicContact CD1-SD 4.48Å; F121-M144 HydrophobicContact CD2-CE 3.93Å; F121-M144 HydrophobicContact CE1-CE 3.67Å; F121-M144 HydrophobicContact CE2-CE 4.13Å; F121-M144 HydrophobicContact CG-CE 3.59Å; F121-M144 HydrophobicContact CG-SD 4.36Å; F121-M144 HydrophobicContact CZ-CE 4.01Å; I127-M144 HydrophobicContact CB-CE 3.69Å; I127-M144 HydrophobicContact CB-CG 4.03Å; I127-M144 HydrophobicContact CB-SD 4.44Å; I127-M144 HydrophobicContact CG1-CE 4.13Å; I127-M144 HydrophobicContact CG1-CG 4.47Å; I127-M144 HydrophobicContact CG2-CE 3.76Å; I127-M144 CarbonylContact O-C 3.55Å; I127-M144 VanDerWaalsContact O-CA 3.25Å; I127-M144 WeakPolarHBondContact O-CA 3.44Å; C141-M144 HydrophobicContact CB-CG 4.38Å; C141-M144 HydrophobicContact CB-SD 3.64Å; M144-V146 HydrophobicContact CB-CG2 4.07Å; M144-V146 HydrophobicContact CE-CG2 4.4Å; M144-G161 PolarHBondContact N-O 3.29Å; M144-M162 HydrophobicContact CB-CE 3.7Å; M144-M162 HydrophobicContact CB-SD 3.89Å; M144-M162 HydrophobicContact CG-CE 3.88Å; M144-M162 HydrophobicContact CG-SD 3.97Å; M144-M162 CarbonylContact O-C 3.55Å; M144-M162 HydrophobicContact SD-CE 3.59Å; M144-M162 VanDerWaalsContact SD-CE 3.59Å; M144-M162 HydrophobicContact SD-SD 4.31Å; M144-K163 PolarHBondContact O-N 3.49Å
145	D	98.9	Very high	98.5	Very high	24 Å²	24	33.5 Å²	33.5	13%	0.128	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	113.4	170	-59.9	-49.3	0	0	0	108.5	I127 K128 C129 K163 L208 F217	I127-D145 PolarHBondContact O-N 3.29Å; K128-D145 CarbonylContact C-O 3.54Å; K128-D145 WeakPolarHBondContact CA-O 3.48Å; K128-D145 HydrophobicContact CG-CB 4.33Å; C129-D145 PolarHBondContact N-O 2.7Å; D145-K163 WeakPolarHBondContact OD1-CD 3.4Å; D145-L208 HydrophobicContact CB-CD2 4.3Å; D145-F217 HydrophobicContact CB-CD1 3.63Å; D145-F217 HydrophobicContact CB-CE1 3.93Å; D145-F217 WeakPolarHBondContact OD2-CD1 3.43Å; D145-F217 WeakPolarHBondContact OD2-CE1 3.32Å
146	V	98.9	Very high	98.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	116.9	-168.7	-171	0	0	0	0	110.7	C129 F136 M144 L148 K163 F164 G165	C129-V146 CarbonylContact O-C 3.52Å; C129-V146 WeakPolarHBondContact O-CA 3.38Å; F136-V146 HydrophobicContact CE2-CG1 3.88Å; F136-V146 HydrophobicContact CZ-CG1 4.22Å; F136-V146 HydrophobicContact CZ-CG2 4.18Å; M144-V146 HydrophobicContact CB-CG2 4.07Å; M144-V146 HydrophobicContact CE-CG2 4.4Å; V146-L148 HydrophobicContact CG1-CB 4.01Å; V146-L148 HydrophobicContact CG1-CD1 4.47Å; V146-K163 PolarHBondContact N-O 3.12Å; V146-F164 HydrophobicContact CB-CD1 3.98Å; V146-F164 HydrophobicContact CB-CE1 4.16Å; V146-F164 HydrophobicContact CG1-CD1 4.38Å; V146-F164 HydrophobicContact CG1-CE1 4.46Å; V146-F164 HydrophobicContact CG2-CE1 4.31Å; V146-F164 CarbonylContact O-C 3.55Å; V146-F164 VanDerWaalsContact O-CA 3.3Å; V146-F164 WeakPolarHBondContact O-CA 3.46Å; V146-G165 PolarHBondContact O-N 2.82Å
147	F	98.9	Very high	98.5	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.026	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	107.6	165.7	-62.8	-92.7	0	0	0	108.7	C129 V130 V131 G165 C166 L208 A212 V214 F217	C129-F147 PolarHBondContact O-N 2.82Å; V130-F147 WeakPolarHBondContact CA-O 3.48Å; V130-F147 HydrophobicContact CB-CB 4.44Å; V130-F147 HydrophobicContact CG1-CB 4.28Å; V130-F147 HydrophobicContact CG2-CB 4.12Å; V130-F147 HydrophobicContact CG2-CD2 4.24Å; V130-F147 HydrophobicContact CG2-CG 4.48Å; V131-F147 PolarHBondContact N-O 3.11Å; F147-G165 CarbonylContact C-O 3.55Å; F147-G165 WeakPolarHBondContact CA-O 3.43Å; F147-C166 WeakPolarHBondContact CD1-O 3.31Å; F147-L208 HydrophobicContact CD1-CD1 4.4Å; F147-L208 HydrophobicContact CD2-CD1 4.43Å; F147-L208 HydrophobicContact CE1-CD1 3.99Å; F147-L208 HydrophobicContact CE2-CD1 3.99Å; F147-L208 HydrophobicContact CZ-CD1 3.77Å; F147-A212 HydrophobicContact CZ-CB 4.48Å; F147-V214 HydrophobicContact CD1-CG2 3.6Å; F147-V214 HydrophobicContact CD2-CG2 4.26Å; F147-V214 HydrophobicContact CE1-CG2 3.6Å; F147-V214 HydrophobicContact CE2-CG2 4.27Å; F147-V214 HydrophobicContact CG-CG2 3.94Å; F147-V214 HydrophobicContact CZ-CB 4.45Å; F147-V214 HydrophobicContact CZ-CG2 3.95Å; F147-F217 HydrophobicContact CE2-CB 3.76Å; F147-F217 HydrophobicContact CE2-CD1 4.44Å; F147-F217 AromaticContact CE2-CD2 3.83Å; F147-F217 HydrophobicContact CE2-CD2 3.83Å; F147-F217 AromaticContact CE2-CG 3.76Å; F147-F217 HydrophobicContact CE2-CG 3.76Å; F147-F217 HydrophobicContact CZ-CB 4.47Å; F147-F217 AromaticContact CZ-CD2 3.68Å; F147-F217 HydrophobicContact CZ-CD2 3.68Å; F147-F217 HydrophobicContact CZ-CE2 4.1Å; F147-F217 HydrophobicContact CZ-CG 4.1Å
148	L	98.9	Very high	98.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	138.1	-160.9	-176.8	59.8	0	0	0	112.6	V131 F136 V146 C150 P154 F164 G165 F167 N188 W190	V131-L148 HydrophobicContact CB-CD1 4.37Å; V131-L148 CarbonylContact O-C 3.55Å; V131-L148 WeakPolarHBondContact O-CA 3.49Å; F136-L148 HydrophobicContact CB-CD1 4.15Å; F136-L148 HydrophobicContact CB-CD2 4.12Å; F136-L148 HydrophobicContact CD1-CD2 4.44Å; F136-L148 HydrophobicContact CD2-CD1 3.73Å; F136-L148 HydrophobicContact CD2-CD2 4.28Å; F136-L148 HydrophobicContact CE2-CD1 4.48Å; F136-L148 HydrophobicContact CG-CD1 4.14Å; F136-L148 HydrophobicContact CG-CD2 4.02Å; V146-L148 HydrophobicContact CG1-CB 4.01Å; V146-L148 HydrophobicContact CG1-CD1 4.47Å; L148-C150 HydrophobicContact CD1-CB 3.99Å; L148-C150 HydrophobicContact CD2-CB 3.88Å; L148-C150 HydrophobicContact CG-CB 3.79Å; L148-P154 HydrophobicContact CD2-CB 3.8Å; L148-P154 HydrophobicContact CD2-CG 3.49Å; L148-P154 VanDerWaalsContact CD2-CG 3.49Å; L148-F164 HydrophobicContact CD2-CD1 3.94Å; L148-F164 HydrophobicContact CD2-CE1 4.11Å; L148-G165 PolarHBondContact N-O 2.7Å; L148-F167 WeakPolarHBondContact O-CB 3.39Å; L148-F167 PolarHBondContact O-N 2.88Å; L148-N188 PolarHBondContact O-ND2 3.31Å; L148-N188 PolarHBondContact O-OD1 2.68Å; L148-W190 HydrophobicContact CB-CB 3.9Å; L148-W190 HydrophobicContact CG-CB 4.23Å; L148-W190 WeakPolarHBondContact O-CB 3.49Å
149	C	98.8	Very high	98.4	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.02	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	108.4	158.5	179.1	0	0	0	0	107.5	V131 A132 C133 F167 N188 V241	V131-C149 PolarHBondContact O-N 3.37Å; A132-C149 CarbonylContact C-O 3.5Å; A132-C149 WeakPolarHBondContact CA-O 3.41Å; A132-C149 HydrophobicContact CB-CB 3.91Å; C133-C149 PolarHBondContact N-O 2.72Å; C149-F167 HydrophobicContact CB-CB 3.62Å; C149-F167 HydrophobicContact CB-CD2 4.07Å; C149-F167 HydrophobicContact CB-CG 3.96Å; C149-N188 VanDerWaalsContact CA-OD1 3.28Å; C149-N188 WeakPolarHBondContact CA-OD1 3.44Å; C149-V241 HydrophobicContact CB-CG1 4.48Å; C149-V241 HydrophobicContact CB-CG2 4.09Å
150	C	98.6	Very high	98.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120.3	-176	-165.3	0	0	0	0	111.6	C133 F136 L148 T152 P154 N188 N189	C133-C150 WeakPolarHBondContact O-CA 3.38Å; F136-C150 PolarHBondContact N-SG 3.41Å; F136-C150 VanDerWaalsContact N-SG 3.42Å; L148-C150 HydrophobicContact CD1-CB 3.99Å; L148-C150 HydrophobicContact CD2-CB 3.88Å; L148-C150 HydrophobicContact CG-CB 3.79Å; C150-T152 VanDerWaalsContact C-N 3.29Å; C150-T152 PolarHBondContact O-N 3.13Å; C150-T152 PolarHBondContact SG-O 3.47Å; C150-P154 HydrophobicContact CB-CG 3.88Å; C150-N188 PolarHBondContact N-OD1 2.97Å; C150-N188 VanDerWaalsContact N-OD1 3.11Å; C150-N188 WeakPolarHBondContact O-CA 3.3Å; C150-N189 PolarHBondContact O-N 3.35Å; C150-N189 PolarHBondContact O-ND2 3.01Å; C150-N189 VanDerWaalsContact O-ND2 3.1Å
151	A	97.7	Very high	98.3	Very high	16 Å²	16	29.3 Å²	29.3	13%	0.132	16%	0.16	C	C	.	.	S	Bend	trans	-68.3	-30	-178.8	0	0	0	0	0	112.6	C133 Q134 L183 N187 N189 M368	C133-A151 PolarHBondContact O-N 3.35Å; C133-A151 VanDerWaalsContact O-N 3.14Å; Q134-A151 HydrophobicContact CG-CB 4.33Å; Q134-A151 PolarHBondContact O-N 3.04Å; A151-L183 HydrophobicContact CB-CD2 4.33Å; A151-N187 WeakPolarHBondContact CA-O 3.48Å; A151-N189 VanDerWaalsContact C-ND2 3.3Å; A151-N189 PolarHBondContact O-ND2 3.46Å; A151-M368 WeakPolarHBondContact O-CE 3.19Å
152	T	96.6	Very high	98.3	Very high	32 Å²	32	29.2 Å²	29.2	20%	0.196	16%	0.159	C	C	.	.	S	Bend	trans	-107.1	179.1	173.7	70.1	0	0	0	0	112.1	Q134 Q135 C150 P154 L370	Q134-T152 HydrophobicContact CG-CG2 4.45Å; Q134-T152 PolarHBondContact O-N 3.14Å; Q134-T152 PolarHBondContact O-OG1 3.12Å; Q134-T152 VanDerWaalsContact O-OG1 3.06Å; Q135-T152 HydrophobicContact CG-CG2 4.23Å; C150-T152 VanDerWaalsContact C-N 3.29Å; C150-T152 PolarHBondContact O-N 3.13Å; C150-T152 PolarHBondContact SG-O 3.47Å; T152-P154 VanDerWaalsContact O-CD 3.32Å; T152-P154 WeakPolarHBondContact O-CD 3.37Å; T152-L370 VanDerWaalsContact C-CD2 3.41Å; T152-L370 VanDerWaalsContact CA-CD2 3.47Å
153	Q	97.4	Very high	98.3	Very high	44 Å²	44	28.3 Å²	28.3	21%	0.206	16%	0.155	C	C	.	.			trans	-64.2	121.1	173.1	-159.7	179.4	30.9	0	0	109.2	N192 H194 L370	Q153-N192 WeakPolarHBondContact CG-O 3.28Å; Q153-N192 PolarHBondContact NE2-ND2 2.79Å; Q153-N192 PolarHBondContact NE2-OD1 2.97Å; Q153-N192 VanDerWaalsContact NE2-OD1 3.12Å; Q153-H194 HydrophobicContact CG-CB 4.24Å; Q153-L370 HydrophobicContact CB-CD2 3.95Å
154	P	98.5	Very high	98.3	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.132	C	C	.	.			trans	-65.9	139.3	174.6	-21.5	33.9	0	0	0	111.2	F136 L148 C150 T152 N189 N192 I193 H194	F136-P154 HydrophobicContact CB-CB 4.1Å; F136-P154 HydrophobicContact CD1-CB 4.05Å; F136-P154 HydrophobicContact CG-CB 4.42Å; L148-P154 HydrophobicContact CD2-CB 3.8Å; L148-P154 HydrophobicContact CD2-CG 3.49Å; L148-P154 VanDerWaalsContact CD2-CG 3.49Å; C150-P154 HydrophobicContact CB-CG 3.88Å; T152-P154 VanDerWaalsContact O-CD 3.32Å; T152-P154 WeakPolarHBondContact O-CD 3.37Å; P154-N189 VanDerWaalsContact CD-O 3.31Å; P154-N189 WeakPolarHBondContact CD-O 3.3Å; P154-N192 WeakPolarHBondContact CD-O 3.31Å; P154-I193 HydrophobicContact CB-CD1 3.7Å; P154-I193 HydrophobicContact CG-CD1 3.9Å; P154-H194 PolarHBondContact O-N 2.97Å
155	I	98.4	Very high	98.3	Very high	43 Å²	43	23.1 Å²	23.1	22%	0.221	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.6	-174.5	-70.3	165.7	0	0	0	110.6	F136 R137 A138 H194 F196	F136-I155 PolarHBondContact O-N 3.27Å; R137-I155 WeakPolarHBondContact CA-O 3.5Å; A138-I155 PolarHBondContact N-O 3.39Å; I155-H194 WeakPolarHBondContact CA-O 3.47Å; I155-H194 HydrophobicContact CG1-CB 4.29Å; I155-F196 HydrophobicContact CB-CE2 4.46Å; I155-F196 HydrophobicContact CD1-CE2 4.14Å; I155-F196 HydrophobicContact CG1-CE2 4.25Å; I155-F196 HydrophobicContact CG2-CD2 3.43Å; I155-F196 VanDerWaalsContact CG2-CD2 3.43Å; I155-F196 HydrophobicContact CG2-CE2 3.39Å
156	I	98.6	Very high	98.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	150.8	166.3	71.9	172.9	0	0	0	111.2	A138 M162 F164 I193 H194 D195 F196 N204 W205	A138-I156 HydrophobicContact CB-CG2 4.29Å; A138-I156 CarbonylContact O-C 3.56Å; A138-I156 WeakPolarHBondContact O-CA 3.48Å; I156-M162 HydrophobicContact CD1-CG 4.17Å; I156-M162 HydrophobicContact CG2-CE 4.34Å; I156-M162 HydrophobicContact CG2-CG 4.41Å; I156-F164 HydrophobicContact CG2-CE2 4.41Å; I156-F164 HydrophobicContact CG2-CZ 3.97Å; I156-I193 HydrophobicContact CD1-CG2 4.39Å; I156-I193 HydrophobicContact CG1-CG2 4.22Å; I156-I193 HydrophobicContact CG2-CG2 4.06Å; I156-H194 PolarHBondContact N-O 2.87Å; I156-D195 HydrophobicContact CD1-CB 4.07Å; I156-D195 HydrophobicContact CG1-CB 3.8Å; I156-F196 PolarHBondContact O-N 2.8Å; I156-N204 HydrophobicContact CD1-CB 4.09Å; I156-W205 HydrophobicContact CD1-CB 3.94Å; I156-W205 HydrophobicContact CD1-CG 4.16Å
157	E	98.4	Very high	98.3	Very high	79 Å²	79	22.8 Å²	22.8	37%	0.369	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	138.7	177.2	179.5	-173.4	-173.9	0	0	109	A138 R139 D140 S159 F196 T197	A138-E157 PolarHBondContact O-N 2.95Å; R139-E157 VanDerWaalsContact CA-O 3.25Å; R139-E157 WeakPolarHBondContact CA-O 3.27Å; R139-E157 WeakPolarHBondContact CD-OE2 3.48Å; R139-E157 HydrophobicContact CG-CB 4.02Å; R139-E157 HydrophobicContact CG-CG 4.06Å; D140-E157 PolarHBondContact N-O 2.85Å; D140-E157 VanDerWaalsContact N-O 3.12Å; E157-S159 PolarHBondContact O-N 2.81Å; E157-S159 PolarHBondContact O-OG 2.66Å; E157-F196 HydrophobicContact CB-CB 4.18Å; E157-F196 HydrophobicContact CG-CB 4.2Å; E157-T197 HydrophobicContact CG-CG2 4.02Å
158	S	97.6	Very high	98.3	Very high	63 Å²	63	23.9 Å²	23.9	44%	0.441	14%	0.138	S	C	.	.	S	Bend	trans	46.9	35.7	179.4	-60.2	0	0	0	0	113.9	D140 T197	D140-S158 WeakPolarHBondContact CA-O 3.29Å; D140-S158 WeakPolarHBondContact OD1-CB 3.33Å; S158-T197 WeakPolarHBondContact CA-OG1 3.39Å; S158-T197 PolarHBondContact N-OG1 3.01Å
159	S	98.2	Very high	98.3	Very high	4 Å²	4	24 Å²	24	3%	0.028	14%	0.138	C	C	.	.			trans	-126.8	151.5	-170	-61.8	0	0	0	0	111.7	D140 C141 E157 N204	D140-S159 PolarHBondContact N-OG 2.9Å; C141-S159 PolarHBondContact N-OG 2.92Å; C141-S159 CarbonylContact O-C 3.57Å; C141-S159 WeakPolarHBondContact O-CA 3.37Å; C141-S159 VanDerWaalsContact O-CB 3.27Å; C141-S159 WeakPolarHBondContact O-CB 3.47Å; E157-S159 PolarHBondContact O-N 2.81Å; E157-S159 PolarHBondContact O-OG 2.66Å; S159-N204 WeakPolarHBondContact O-CB 3.49Å; S159-N204 VanDerWaalsContact O-CG 3.28Å; S159-N204 PolarHBondContact O-OD1 3.24Å
160	T	98.1	Very high	98.3	Very high	55 Å²	55	26.4 Å²	26.4	34%	0.337	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	147.6	-176.6	-174.6	0	0	0	0	113.5	C141 K142 K143	C141-T160 PolarHBondContact O-N 2.81Å; K142-T160 WeakPolarHBondContact CA-O 3.47Å; K142-T160 HydrophobicContact CB-CG2 4.49Å; K142-T160 HydrophobicContact CD-CG2 4.16Å; K142-T160 HydrophobicContact CG-CG2 4.01Å; K143-T160 PolarHBondContact N-O 3.19Å
161	G	97.9	Very high	98.2	Very high	29 Å²	29	26.5 Å²	26.5	30%	0.299	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	70.2	33.2	-177.3	0	0	0	0	0	112.6	K143 M144 N204	K143-G161 VanDerWaalsContact CA-O 3.27Å; K143-G161 WeakPolarHBondContact CA-O 3.17Å; M144-G161 PolarHBondContact N-O 3.29Å; G161-N204 PolarHBondContact N-O 3.26Å
162	M	98.6	Very high	98.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	133.5	177.7	-51.3	-60.5	-71.6	0	0	109.4	A138 C141 M144 I156 F164 N204 W205 S206	A138-M162 HydrophobicContact CB-CE 3.73Å; C141-M162 HydrophobicContact CB-CE 4.23Å; C141-M162 HydrophobicContact CB-SD 4.13Å; M144-M162 HydrophobicContact CB-CE 3.7Å; M144-M162 HydrophobicContact CB-SD 3.89Å; M144-M162 HydrophobicContact CG-CE 3.88Å; M144-M162 HydrophobicContact CG-SD 3.97Å; M144-M162 CarbonylContact O-C 3.55Å; M144-M162 HydrophobicContact SD-CE 3.59Å; M144-M162 VanDerWaalsContact SD-CE 3.59Å; M144-M162 HydrophobicContact SD-SD 4.31Å; I156-M162 HydrophobicContact CD1-CG 4.17Å; I156-M162 HydrophobicContact CG2-CE 4.34Å; I156-M162 HydrophobicContact CG2-CG 4.41Å; M162-F164 HydrophobicContact CB-CE2 3.77Å; M162-F164 HydrophobicContact CB-CZ 4.29Å; M162-N204 PolarHBondContact N-O 2.89Å; M162-W205 HydrophobicContact CB-CB 3.9Å; M162-W205 CarbonylContact O-C 3.52Å; M162-W205 WeakPolarHBondContact O-CA 3.38Å; M162-S206 PolarHBondContact O-N 3.33Å
163	K	98.8	Very high	98.3	Very high	85 Å²	85	30.3 Å²	30.3	37%	0.37	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	134.3	179	-54.7	-166.8	-169.4	164.4	0	110.5	M144 D145 V146 S206 L208	M144-K163 PolarHBondContact O-N 3.49Å; D145-K163 WeakPolarHBondContact OD1-CD 3.4Å; V146-K163 PolarHBondContact N-O 3.12Å; K163-S206 CarbonylContact C-O 3.57Å; K163-S206 VanDerWaalsContact CA-O 3.26Å; K163-S206 WeakPolarHBondContact CA-O 3.45Å; K163-L208 HydrophobicContact CB-CD2 3.61Å; K163-L208 HydrophobicContact CB-CG 3.85Å; K163-L208 HydrophobicContact CD-CD2 3.88Å; K163-L208 HydrophobicContact CG-CD2 4.42Å
164	F	98.9	Very high	98.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.8	-175.1	-63.1	-89.7	0	0	0	111.6	F136 V146 L148 I156 M162 W190 I193 W205 S206 L207 L208	F136-F164 HydrophobicContact CD1-CE1 4.22Å; F136-F164 AromaticContact CE1-CE1 3.73Å; F136-F164 HydrophobicContact CE1-CE1 3.73Å; F136-F164 HydrophobicContact CE1-CZ 4Å; F136-F164 HydrophobicContact CZ-CE1 4.09Å; V146-F164 HydrophobicContact CB-CD1 3.98Å; V146-F164 HydrophobicContact CB-CE1 4.16Å; V146-F164 HydrophobicContact CG1-CD1 4.38Å; V146-F164 HydrophobicContact CG1-CE1 4.46Å; V146-F164 HydrophobicContact CG2-CE1 4.31Å; V146-F164 CarbonylContact O-C 3.55Å; V146-F164 VanDerWaalsContact O-CA 3.3Å; V146-F164 WeakPolarHBondContact O-CA 3.46Å; L148-F164 HydrophobicContact CD2-CD1 3.94Å; L148-F164 HydrophobicContact CD2-CE1 4.11Å; I156-F164 HydrophobicContact CG2-CE2 4.41Å; I156-F164 HydrophobicContact CG2-CZ 3.97Å; M162-F164 HydrophobicContact CB-CE2 3.77Å; M162-F164 HydrophobicContact CB-CZ 4.29Å; F164-W190 HydrophobicContact CB-CE3 4.25Å; F164-W190 WeakPolarHBondContact O-CZ3 3.43Å; F164-I193 HydrophobicContact CB-CD1 4.29Å; F164-I193 HydrophobicContact CD1-CD1 3.81Å; F164-I193 HydrophobicContact CD2-CD1 3.61Å; F164-I193 HydrophobicContact CD2-CG1 3.68Å; F164-I193 HydrophobicContact CE1-CD1 3.97Å; F164-I193 HydrophobicContact CE2-CD1 3.77Å; F164-I193 HydrophobicContact CE2-CG1 3.84Å; F164-I193 HydrophobicContact CE2-CG2 4.09Å; F164-I193 HydrophobicContact CG-CD1 3.62Å; F164-I193 HydrophobicContact CG-CG1 4.16Å; F164-I193 HydrophobicContact CZ-CD1 3.95Å; F164-I193 HydrophobicContact CZ-CG1 4.46Å; F164-I193 HydrophobicContact CZ-CG2 4.4Å; F164-W205 HydrophobicContact CD2-CB 4.45Å; F164-W205 HydrophobicContact CE2-CB 4.09Å; F164-S206 PolarHBondContact N-O 3.49Å; F164-L207 HydrophobicContact CB-CD2 4.31Å; F164-L207 CarbonylContact O-C 3.54Å; F164-L207 VanDerWaalsContact O-CA 3.29Å; F164-L207 WeakPolarHBondContact O-CA 3.28Å; F164-L208 PolarHBondContact O-N 2.89Å
165	G	98.7	Very high	98.3	Very high	3 Å²	3	30.6 Å²	30.6	3%	0.031	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	163.9	170.5	0	0	0	0	0	110.1	V146 F147 L148 W190	V146-G165 PolarHBondContact O-N 2.82Å; F147-G165 CarbonylContact C-O 3.55Å; F147-G165 WeakPolarHBondContact CA-O 3.43Å; L148-G165 PolarHBondContact N-O 2.7Å; G165-W190 VanDerWaalsContact CA-CZ3 3.46Å
166	C	98.7	Very high	98.3	Very high	14 Å²	14	35 Å²	35	10%	0.095	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	141.9	173.9	-171.1	0	0	0	0	109.9	F147 Q168 W190	F147-C166 WeakPolarHBondContact CD1-O 3.31Å; C166-Q168 PolarHBondContact O-N 3.46Å; C166-W190 HydrophobicContact CB-CD2 4.05Å; C166-W190 HydrophobicContact CB-CG 4.32Å; C166-W190 HydrophobicContact CB-CZ2 4.04Å
167	F	98.7	Very high	98.3	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.009	20%	0.196	C	C	.	.			trans	-53.4	130.8	170.7	-175.4	-81.8	0	0	0	111.1	V130 V131 A132 L148 C149 L174 F178 V241	V130-F167 HydrophobicContact CG1-CD2 3.68Å; V130-F167 HydrophobicContact CG1-CE2 3.57Å; V130-F167 HydrophobicContact CG1-CG 4.39Å; V130-F167 HydrophobicContact CG1-CZ 4.18Å; V131-F167 WeakPolarHBondContact O-CD2 3.29Å; A132-F167 HydrophobicContact CB-CD2 4.13Å; A132-F167 HydrophobicContact CB-CE2 3.85Å; L148-F167 WeakPolarHBondContact O-CB 3.39Å; L148-F167 PolarHBondContact O-N 2.88Å; C149-F167 HydrophobicContact CB-CB 3.62Å; C149-F167 HydrophobicContact CB-CD2 4.07Å; C149-F167 HydrophobicContact CB-CG 3.96Å; F167-L174 HydrophobicContact CE1-CD2 4.16Å; F167-L174 HydrophobicContact CZ-CD2 4.08Å; F167-F178 HydrophobicContact CE1-CE2 4.46Å; F167-F178 HydrophobicContact CZ-CE2 4.41Å; F167-F178 HydrophobicContact CZ-CZ 4.46Å; F167-V241 HydrophobicContact CB-CB 4.23Å; F167-V241 HydrophobicContact CB-CG1 4.44Å; F167-V241 HydrophobicContact CB-CG2 4.3Å; F167-V241 HydrophobicContact CD1-CB 3.75Å; F167-V241 HydrophobicContact CD1-CG2 3.52Å; F167-V241 HydrophobicContact CE1-CG2 4.03Å; F167-V241 HydrophobicContact CG-CB 4.34Å; F167-V241 HydrophobicContact CG-CG2 4.05Å
168	Q	98.3	Very high	98.3	Very high	29 Å²	29	32 Å²	32	14%	0.136	18%	0.179	C	C	.	.			trans	-144.1	97.7	177.4	171.8	177	-20.4	0	0	108.9	C166 V214 T234 S239 L243	C166-Q168 PolarHBondContact O-N 3.46Å; Q168-V214 HydrophobicContact CB-CG2 3.77Å; Q168-V214 HydrophobicContact CG-CG2 4.02Å; Q168-T234 WeakPolarHBondContact CG-O 3.28Å; Q168-T234 PolarHBondContact NE2-O 3.42Å; Q168-S239 WeakPolarHBondContact CA-OG 3.35Å; Q168-L243 HydrophobicContact CB-CD1 4.47Å; Q168-L243 HydrophobicContact CG-CD1 4.45Å
169	Y	98.3	Very high	98.3	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.008	19%	0.19	C	C	.	.			trans	-163.1	152.8	-177.5	-144.9	-105.3	0	0	0	111.7	L94 V111 V130 Y171 V214 I232 S233 T234 S239 I240	L94-Y169 HydrophobicContact CD2-CE1 4.43Å; V111-Y169 HydrophobicContact CG1-CD1 4.23Å; V111-Y169 HydrophobicContact CG1-CE1 3.74Å; V111-Y169 HydrophobicContact CG1-CE2 4.37Å; V111-Y169 HydrophobicContact CG2-CE2 4.16Å; V130-Y169 HydrophobicContact CG1-CD2 4.19Å; V130-Y169 HydrophobicContact CG1-CG 4.26Å; V130-Y169 HydrophobicContact CG2-CD2 4.38Å; Y169-Y171 AromaticContact CD1-CD1 3.98Å; Y169-Y171 HydrophobicContact CD1-CD1 3.98Å; Y169-Y171 HydrophobicContact CD1-CE1 4.35Å; Y169-Y171 AromaticContact CE1-CD1 3.96Å; Y169-Y171 HydrophobicContact CE1-CD1 3.96Å; Y169-Y171 HydrophobicContact CE1-CE1 4.43Å; Y169-V214 HydrophobicContact CD2-CG1 4.45Å; Y169-I232 HydrophobicContact CE1-CG1 4.15Å; Y169-I232 HydrophobicContact CE1-CG2 3.89Å; Y169-I232 HydrophobicContact CE2-CG2 3.89Å; Y169-I232 VanDerWaalsContact CZ-CG2 3.4Å; Y169-I232 WeakPolarHBondContact OH-CD1 3.49Å; Y169-I232 VanDerWaalsContact OH-CG2 3.25Å; Y169-I232 WeakPolarHBondContact OH-CG2 3.48Å; Y169-S233 CarbonylContact C-O 3.55Å; Y169-T234 HydrophobicContact CD2-CG2 3.85Å; Y169-T234 HydrophobicContact CE2-CG2 3.73Å; Y169-S239 PolarHBondContact N-OG 3.46Å; Y169-I240 PolarHBondContact O-N 2.89Å; Y169-I240 VanDerWaalsContact O-N 3.1Å
170	Y	98.4	Very high	98.3	Very high	55 Å²	55	40.7 Å²	40.7	22%	0.216	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-148.1	139.2	176.2	172.7	-89.7	0	0	0	111.2	I232 S233 R238 I240	Y170-I232 CarbonylContact O-C 3.46Å; Y170-I232 VanDerWaalsContact O-CA 3.3Å; Y170-I232 WeakPolarHBondContact O-CA 3.3Å; Y170-S233 PolarHBondContact N-O 2.83Å; Y170-S233 PolarHBondContact O-N 2.8Å; Y170-R238 VanDerWaalsContact CB-O 3.3Å; Y170-R238 WeakPolarHBondContact CB-O 3.39Å; Y170-R238 VanDerWaalsContact CD2-O 3.29Å; Y170-R238 WeakPolarHBondContact CD2-O 3.46Å; Y170-R238 HydrophobicContact CG-CB 4.45Å; Y170-I240 HydrophobicContact CD2-CD1 3.65Å; Y170-I240 HydrophobicContact CD2-CG1 3.85Å; Y170-I240 HydrophobicContact CE2-CD1 3.95Å
171	Y	97.9	Very high	98.4	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	20%	0.197	C	C	.	.			trans	-149.8	158.3	155.1	56.8	-91.9	0	0	0	107.8	L94 Y169 E173 L174 H177 V230	L94-Y171 HydrophobicContact CD2-CD1 4.41Å; L94-Y171 HydrophobicContact CD2-CE1 4.14Å; Y169-Y171 AromaticContact CD1-CD1 3.98Å; Y169-Y171 HydrophobicContact CD1-CD1 3.98Å; Y169-Y171 HydrophobicContact CD1-CE1 4.35Å; Y169-Y171 AromaticContact CE1-CD1 3.96Å; Y169-Y171 HydrophobicContact CE1-CD1 3.96Å; Y169-Y171 HydrophobicContact CE1-CE1 4.43Å; Y171-E173 VanDerWaalsContact C-N 3.27Å; Y171-E173 HydrophobicContact CD2-CB 4.04Å; Y171-E173 HydrophobicContact CE2-CB 3.95Å; Y171-E173 PolarHBondContact O-N 3.1Å; Y171-E173 VanDerWaalsContact O-N 3.13Å; Y171-L174 HydrophobicContact CD1-CB 3.87Å; Y171-L174 HydrophobicContact CD1-CD1 4.49Å; Y171-L174 HydrophobicContact CD1-CD2 4.11Å; Y171-L174 HydrophobicContact CD1-CG 4.37Å; Y171-L174 HydrophobicContact CD2-CB 3.86Å; Y171-L174 HydrophobicContact CE1-CB 3.73Å; Y171-L174 HydrophobicContact CE1-CD1 3.63Å; Y171-L174 HydrophobicContact CE1-CD2 3.99Å; Y171-L174 HydrophobicContact CE1-CG 3.97Å; Y171-L174 HydrophobicContact CE2-CB 3.69Å; Y171-L174 HydrophobicContact CE2-CD1 4.48Å; Y171-L174 VanDerWaalsContact CE2-N 3.3Å; Y171-L174 HydrophobicContact CG-CB 3.94Å; Y171-L174 VanDerWaalsContact O-CB 3.23Å; Y171-L174 WeakPolarHBondContact O-CB 3.35Å; Y171-L174 PolarHBondContact O-N 3.19Å; Y171-L174 WeakPolarHBondContact OH-CD1 3.38Å; Y171-H177 AromaticContact CE2-CE1 3.66Å; Y171-H177 AromaticContact CE2-ND1 3.4Å; Y171-H177 WeakPolarHBondContact CE2-ND1 3.43Å; Y171-H177 AromaticContact CZ-ND1 3.59Å; Y171-H177 PolarHBondContact OH-ND1 2.79Å; Y171-V230 HydrophobicContact CD2-CG1 4.33Å; Y171-V230 HydrophobicContact CG-CG1 4.1Å
172	P	97.8	Very high	98.3	Very high	56 Å²	56	39.8 Å²	39.8	36%	0.364	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-38.9	-168.3	-29.4	36.9	0	0	0	115.2	R231	P172-R231 HydrophobicContact CG-CB 4.21Å
173	E	98.2	Very high	98.3	Very high	72 Å²	72	40.7 Å²	40.7	34%	0.336	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-14.2	-176.6	-57.7	82.6	175.3	0	0	113.3	P73 Y171 A175 F176 H177	P73-E173 HydrophobicContact CB-CB 4.26Å; P73-E173 HydrophobicContact CB-CG 3.96Å; P73-E173 HydrophobicContact CG-CG 4.29Å; Y171-E173 VanDerWaalsContact C-N 3.27Å; Y171-E173 HydrophobicContact CD2-CB 4.04Å; Y171-E173 HydrophobicContact CE2-CB 3.95Å; Y171-E173 PolarHBondContact O-N 3.1Å; Y171-E173 VanDerWaalsContact O-N 3.13Å; E173-A175 VanDerWaalsContact C-N 3.3Å; E173-A175 PolarHBondContact O-N 3.3Å; E173-F176 PolarHBondContact O-N 2.66Å; E173-H177 PolarHBondContact O-N 3.44Å
174	L	98.4	Very high	98.3	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-58.5	-38.8	-170.1	-179.3	55.2	0	0	0	112.8	P114 F167 Y171 F176 H177 F178 I240	P114-L174 HydrophobicContact CG-CD1 3.75Å; F167-L174 HydrophobicContact CE1-CD2 4.16Å; F167-L174 HydrophobicContact CZ-CD2 4.08Å; Y171-L174 HydrophobicContact CD1-CB 3.87Å; Y171-L174 HydrophobicContact CD1-CD1 4.49Å; Y171-L174 HydrophobicContact CD1-CD2 4.11Å; Y171-L174 HydrophobicContact CD1-CG 4.37Å; Y171-L174 HydrophobicContact CD2-CB 3.86Å; Y171-L174 HydrophobicContact CE1-CB 3.73Å; Y171-L174 HydrophobicContact CE1-CD1 3.63Å; Y171-L174 HydrophobicContact CE1-CD2 3.99Å; Y171-L174 HydrophobicContact CE1-CG 3.97Å; Y171-L174 HydrophobicContact CE2-CB 3.69Å; Y171-L174 HydrophobicContact CE2-CD1 4.48Å; Y171-L174 VanDerWaalsContact CE2-N 3.3Å; Y171-L174 HydrophobicContact CG-CB 3.94Å; Y171-L174 VanDerWaalsContact O-CB 3.23Å; Y171-L174 WeakPolarHBondContact O-CB 3.35Å; Y171-L174 PolarHBondContact O-N 3.19Å; Y171-L174 WeakPolarHBondContact OH-CD1 3.38Å; L174-F176 VanDerWaalsContact C-N 3.32Å; L174-F176 PolarHBondContact O-N 3.19Å; L174-H177 PolarHBondContact O-N 2.98Å; L174-F178 HydrophobicContact CD1-CD2 3.82Å; L174-F178 HydrophobicContact CD1-CE2 3.69Å; L174-F178 HydrophobicContact CD2-CE2 4.36Å; L174-F178 HydrophobicContact CG-CD2 3.97Å; L174-F178 HydrophobicContact CG-CE2 3.89Å; L174-F178 WeakPolarHBondContact O-CD2 3.3Å; L174-F178 PolarHBondContact O-N 3.09Å; L174-I240 HydrophobicContact CB-CG1 4.04Å; L174-I240 HydrophobicContact CD2-CB 3.92Å; L174-I240 HydrophobicContact CD2-CG1 3.69Å; L174-I240 HydrophobicContact CG-CB 4.16Å; L174-I240 HydrophobicContact CG-CG1 3.86Å; L174-I240 HydrophobicContact CG-CG2 4.33Å
175	A	97.9	Very high	98.3	Very high	49 Å²	49	38.7 Å²	38.7	41%	0.405	21%	0.213	S	C	.	.	H	α-helix	trans	-61.6	-39.9	177.9	0	0	0	0	0	112.4	E173 F178 K179 I240	E173-A175 VanDerWaalsContact C-N 3.3Å; E173-A175 PolarHBondContact O-N 3.3Å; A175-F178 PolarHBondContact O-N 2.98Å; A175-K179 PolarHBondContact O-N 3.08Å; A175-I240 HydrophobicContact CB-CD1 4.15Å
176	F	98.1	Very high	98.3	Very high	136 Å²	136	38.6 Å²	38.6	60%	0.596	21%	0.212	S	C	*	.	H	α-helix	trans	-70.7	-39.1	175.4	-68.7	-72.1	0	0	0	111.1	E173 L174 F178 K179 D180	E173-F176 PolarHBondContact O-N 2.66Å; L174-F176 VanDerWaalsContact C-N 3.32Å; L174-F176 PolarHBondContact O-N 3.19Å; F176-F178 VanDerWaalsContact C-N 3.29Å; F176-F178 PolarHBondContact O-N 3.2Å; F176-K179 CarbonylContact O-C 3Å; F176-K179 WeakPolarHBondContact O-CA 3.36Å; F176-K179 WeakPolarHBondContact O-CB 3.42Å; F176-K179 PolarHBondContact O-N 2.8Å; F176-K179 VanDerWaalsContact O-N 3.08Å; F176-D180 VanDerWaalsContact O-CG 3.3Å; F176-D180 PolarHBondContact O-N 3.07Å
177	H	98.7	Very high	98.3	Very high	13 Å²	13	38.9 Å²	38.9	6%	0.06	21%	0.213	C	C	.	.	H	α-helix	trans	-61.6	-35.3	175.2	-62.1	167.2	0	0	0	112.9	L94 D95 H96 P114 Y171 E173 L174 D180 A181	L94-H177 PolarHBondContact O-CE1 2.99Å; L94-H177 VanDerWaalsContact O-CE1 3.24Å; D95-H177 IonicContact OD1-CD2 3.73Å; D95-H177 IonicContact OD1-CE1 3.56Å; D95-H177 IonicContact OD1-NE2 2.56Å; D95-H177 PolarHBondContact OD1-NE2 3.43Å; H96-H177 HydrophobicContact CB-CB 4.02Å; P114-H177 HydrophobicContact CG-CB 4Å; Y171-H177 AromaticContact CE2-CE1 3.66Å; Y171-H177 AromaticContact CE2-ND1 3.4Å; Y171-H177 WeakPolarHBondContact CE2-ND1 3.43Å; Y171-H177 AromaticContact CZ-ND1 3.59Å; Y171-H177 PolarHBondContact OH-ND1 2.79Å; E173-H177 PolarHBondContact O-N 3.44Å; L174-H177 PolarHBondContact O-N 2.98Å; H177-D180 PolarHBondContact O-N 3.31Å; H177-A181 VanDerWaalsContact O-CB 3.27Å; H177-A181 WeakPolarHBondContact O-CB 3.25Å; H177-A181 PolarHBondContact O-N 3.3Å
178	F	98.7	Very high	98.3	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-62.6	-45.1	172.9	-94.9	-84.9	0	0	0	111	P114 A132 F167 L174 A175 F176 A181 G182 L183 I185 I240 V241	P114-F178 HydrophobicContact CB-CD1 4.31Å; P114-F178 HydrophobicContact CB-CD2 4.44Å; P114-F178 HydrophobicContact CB-CG 4.21Å; P114-F178 HydrophobicContact CG-CB 4.22Å; P114-F178 HydrophobicContact CG-CD1 4.1Å; P114-F178 HydrophobicContact CG-CD2 3.43Å; P114-F178 VanDerWaalsContact CG-CD2 3.43Å; P114-F178 HydrophobicContact CG-CE1 4.34Å; P114-F178 HydrophobicContact CG-CE2 3.71Å; P114-F178 HydrophobicContact CG-CG 3.63Å; P114-F178 HydrophobicContact CG-CZ 4.15Å; A132-F178 HydrophobicContact CB-CE1 3.79Å; A132-F178 HydrophobicContact CB-CE2 4.35Å; A132-F178 HydrophobicContact CB-CZ 3.47Å; A132-F178 VanDerWaalsContact CB-CZ 3.47Å; F167-F178 HydrophobicContact CE1-CE2 4.46Å; F167-F178 HydrophobicContact CZ-CE2 4.41Å; F167-F178 HydrophobicContact CZ-CZ 4.46Å; L174-F178 HydrophobicContact CD1-CD2 3.82Å; L174-F178 HydrophobicContact CD1-CE2 3.69Å; L174-F178 HydrophobicContact CD2-CE2 4.36Å; L174-F178 HydrophobicContact CG-CD2 3.97Å; L174-F178 HydrophobicContact CG-CE2 3.89Å; L174-F178 WeakPolarHBondContact O-CD2 3.3Å; L174-F178 PolarHBondContact O-N 3.09Å; A175-F178 PolarHBondContact O-N 2.98Å; F176-F178 VanDerWaalsContact C-N 3.29Å; F176-F178 PolarHBondContact O-N 3.2Å; F178-A181 PolarHBondContact O-N 2.88Å; F178-G182 PolarHBondContact O-N 2.96Å; F178-G182 VanDerWaalsContact O-N 3.15Å; F178-L183 HydrophobicContact CD1-CB 3.84Å; F178-L183 HydrophobicContact CE1-CB 4.42Å; F178-L183 PolarHBondContact O-N 3.44Å; F178-I185 HydrophobicContact CB-CG2 4.25Å; F178-I185 HydrophobicContact CD1-CG2 3.82Å; F178-I185 HydrophobicContact CD2-CG2 4.19Å; F178-I185 HydrophobicContact CE1-CG2 4.18Å; F178-I185 HydrophobicContact CG-CG2 3.84Å; F178-I240 HydrophobicContact CD2-CG2 3.7Å; F178-I240 HydrophobicContact CE2-CB 4.46Å; F178-I240 HydrophobicContact CE2-CG2 3.79Å; F178-V241 HydrophobicContact CE1-CG2 4.03Å; F178-V241 HydrophobicContact CE2-CG2 4.1Å; F178-V241 HydrophobicContact CZ-CG2 3.43Å; F178-V241 VanDerWaalsContact CZ-CG2 3.43Å
179	K	97.9	Very high	98.2	Very high	157 Å²	157	38.5 Å²	38.5	68%	0.683	21%	0.212	S	C	*	.	H	α-helix	trans	-61.4	-46.9	176.3	-176.9	-176.2	177.4	-178.1	0	111.9	A175 F176 A181 G182	A175-K179 PolarHBondContact O-N 3.08Å; F176-K179 CarbonylContact O-C 3Å; F176-K179 WeakPolarHBondContact O-CA 3.36Å; F176-K179 WeakPolarHBondContact O-CB 3.42Å; F176-K179 PolarHBondContact O-N 2.8Å; F176-K179 VanDerWaalsContact O-N 3.08Å; K179-A181 VanDerWaalsContact C-N 3.32Å; K179-A181 PolarHBondContact O-N 3.19Å; K179-G182 WeakPolarHBondContact O-CA 3.23Å; K179-G182 PolarHBondContact O-N 3.34Å
180	D	98.3	Very high	98.3	Very high	91 Å²	91	38.5 Å²	38.5	49%	0.487	21%	0.212	S	C	.	.	H	α-helix	trans	-67.7	-33.4	-178.7	-65.8	-22.1	0	0	0	112	F176 H177 G182	F176-D180 VanDerWaalsContact O-CG 3.3Å; F176-D180 PolarHBondContact O-N 3.07Å; H177-D180 PolarHBondContact O-N 3.31Å; D180-G182 PolarHBondContact O-N 2.76Å
181	A	98.3	Very high	98.2	Very high	3 Å²	3	36.5 Å²	36.5	3%	0.025	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-11.9	170.3	0	0	0	0	0	113.5	H96 P114 K116 H177 F178 K179 L183	H96-A181 HydrophobicContact CB-CB 4.35Å; P114-A181 HydrophobicContact CB-CB 3.69Å; K116-A181 WeakPolarHBondContact CA-O 3.45Å; K116-A181 HydrophobicContact CB-CB 4.31Å; K116-A181 WeakPolarHBondContact CB-O 3.14Å; K116-A181 WeakPolarHBondContact CG-O 3.37Å; H177-A181 VanDerWaalsContact O-CB 3.27Å; H177-A181 WeakPolarHBondContact O-CB 3.25Å; H177-A181 PolarHBondContact O-N 3.3Å; F178-A181 PolarHBondContact O-N 2.88Å; K179-A181 VanDerWaalsContact C-N 3.32Å; K179-A181 PolarHBondContact O-N 3.19Å; A181-L183 VanDerWaalsContact C-N 3.31Å; A181-L183 HydrophobicContact CB-CD1 4.21Å; A181-L183 HydrophobicContact CB-CG 4.06Å
182	G	97.8	Very high	98.2	Very high	63 Å²	63	39.9 Å²	39.9	65%	0.649	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.1	29.6	-175.2	0	0	0	0	0	113.2	F178 K179 D180	F178-G182 PolarHBondContact O-N 2.96Å; F178-G182 VanDerWaalsContact O-N 3.15Å; K179-G182 WeakPolarHBondContact O-CA 3.23Å; K179-G182 PolarHBondContact O-N 3.34Å; D180-G182 PolarHBondContact O-N 2.76Å
183	L	98.3	Very high	98.2	Very high	18 Å²	18	37.8 Å²	37.8	9%	0.094	21%	0.21	C	C	.	.			trans	-104.7	124.6	179.6	-65.5	-178.7	0	0	0	110.3	P114 Q134 A151 F178 A181	P114-L183 HydrophobicContact CB-CD1 4.13Å; Q134-L183 HydrophobicContact CB-CD2 3.97Å; A151-L183 HydrophobicContact CB-CD2 4.33Å; F178-L183 HydrophobicContact CD1-CB 3.84Å; F178-L183 HydrophobicContact CE1-CB 4.42Å; F178-L183 PolarHBondContact O-N 3.44Å; A181-L183 VanDerWaalsContact C-N 3.31Å; A181-L183 HydrophobicContact CB-CD1 4.21Å; A181-L183 HydrophobicContact CB-CG 4.06Å
184	S	98.1	Very high	98.2	Very high	22 Å²	22	37.6 Å²	37.6	15%	0.154	21%	0.208	C	C	.	.			trans	-75.9	132.7	168.7	175	0	0	0	0	110	F186 N187 E289	S184-F186 PolarHBondContact O-N 3.35Å; S184-F186 PolarHBondContact OG-N 2.91Å; S184-N187 PolarHBondContact O-N 3.01Å; S184-E289 VanDerWaalsContact CB-OE2 3.3Å; S184-E289 WeakPolarHBondContact CB-OE2 3.28Å; S184-E289 WeakPolarHBondContact OG-CB 3.48Å; S184-E289 PolarHBondContact OG-OE2 3.06Å
185	I	98.5	Very high	98.1	Very high	21 Å²	21	38.6 Å²	38.6	11%	0.108	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.7	172	62.6	168.6	0	0	0	112.5	F178 I240 P242 T267 R271	F178-I185 HydrophobicContact CB-CG2 4.25Å; F178-I185 HydrophobicContact CD1-CG2 3.82Å; F178-I185 HydrophobicContact CD2-CG2 4.19Å; F178-I185 HydrophobicContact CE1-CG2 4.18Å; F178-I185 HydrophobicContact CG-CG2 3.84Å; I185-I240 WeakPolarHBondContact CD1-O 3.44Å; I185-I240 HydrophobicContact CG2-CG2 3.74Å; I185-P242 WeakPolarHBondContact O-CD 3.4Å; I185-T267 HydrophobicContact CD1-CG2 4.16Å; I185-R271 VanDerWaalsContact CD1-NH2 3.29Å
186	F	98.6	Very high	98.1	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-5.2	178.8	-60.4	-69.4	0	0	0	112.9	S184 P242 T267 A270 T287 K288 E289 T318	S184-F186 PolarHBondContact O-N 3.35Å; S184-F186 PolarHBondContact OG-N 2.91Å; F186-P242 HydrophobicContact CD1-CG 4.18Å; F186-P242 HydrophobicContact CE1-CG 4Å; F186-T267 HydrophobicContact CE2-CG2 4.07Å; F186-T267 HydrophobicContact CZ-CG2 4.1Å; F186-A270 HydrophobicContact CE1-CB 3.84Å; F186-A270 HydrophobicContact CZ-CB 3.66Å; F186-T287 WeakPolarHBondContact CA-OG1 3.48Å; F186-T287 HydrophobicContact CD1-CG2 4.26Å; F186-T287 CarbonylContact O-C 3.55Å; F186-T287 WeakPolarHBondContact O-CB 3.28Å; F186-T287 PolarHBondContact O-OG1 3.25Å; F186-K288 WeakPolarHBondContact O-CA 3.46Å; F186-K288 PolarHBondContact O-N 3.41Å; F186-E289 HydrophobicContact CB-CB 4.13Å; F186-T318 HydrophobicContact CB-CG2 4.28Å; F186-T318 HydrophobicContact CD1-CG2 3.91Å; F186-T318 HydrophobicContact CD2-CG2 3.74Å; F186-T318 HydrophobicContact CE1-CG2 4.14Å; F186-T318 HydrophobicContact CE2-CG2 3.98Å; F186-T318 HydrophobicContact CG-CG2 3.71Å; F186-T318 HydrophobicContact CZ-CG2 4.18Å
187	N	98.4	Very high	98	Very high	21 Å²	21	37.5 Å²	37.5	11%	0.112	20%	0.204	C	C	.	.			trans	-104.9	88.6	178.6	-75.7	-22.4	0	0	0	110.4	A151 S184 K288 E289 M368	A151-N187 WeakPolarHBondContact CA-O 3.48Å; S184-N187 PolarHBondContact O-N 3.01Å; N187-K288 WeakPolarHBondContact OD1-CA 3.42Å; N187-E289 PolarHBondContact ND2-O 2.81Å; N187-E289 PolarHBondContact OD1-N 3.42Å; N187-E289 PolarHBondContact OD1-O 2.96Å; N187-M368 HydrophobicContact CB-CE 3.95Å
188	N	98.4	Very high	97.8	Very high	9 Å²	9	41.5 Å²	41.5	5%	0.048	23%	0.231	C	C	.	.			trans	-137.3	109.4	-175.7	-174.1	9.2	0	0	0	113.3	L148 C149 C150 W190 V241	L148-N188 PolarHBondContact O-ND2 3.31Å; L148-N188 PolarHBondContact O-OD1 2.68Å; C149-N188 VanDerWaalsContact CA-OD1 3.28Å; C149-N188 WeakPolarHBondContact CA-OD1 3.44Å; C150-N188 PolarHBondContact N-OD1 2.97Å; C150-N188 VanDerWaalsContact N-OD1 3.11Å; C150-N188 WeakPolarHBondContact O-CA 3.3Å; N188-W190 VanDerWaalsContact ND2-CD1 3.33Å; N188-W190 VanDerWaalsContact OD1-CB 3.31Å; N188-W190 WeakPolarHBondContact OD1-CB 3.33Å; N188-W190 PolarHBondContact OD1-N 2.8Å; N188-W190 VanDerWaalsContact OD1-N 3.13Å; N188-V241 HydrophobicContact CB-CG1 4.49Å
189	N	98	Very high	97.4	Very high	13 Å²	13	44.7 Å²	44.7	7%	0.07	25%	0.25	C	S	.	.			trans	-106.5	29.4	-179.9	-49.2	-86.6	0	0	0	112.8	C150 A151 P154 S191 N192 K288 L370	C150-N189 PolarHBondContact O-N 3.35Å; C150-N189 PolarHBondContact O-ND2 3.01Å; C150-N189 VanDerWaalsContact O-ND2 3.1Å; A151-N189 VanDerWaalsContact C-ND2 3.3Å; A151-N189 PolarHBondContact O-ND2 3.46Å; P154-N189 VanDerWaalsContact CD-O 3.31Å; P154-N189 WeakPolarHBondContact CD-O 3.3Å; N189-S191 PolarHBondContact O-N 3.21Å; N189-N192 PolarHBondContact O-N 3.04Å; N189-K288 PolarHBondContact OD1-NZ 3.29Å; N189-L370 WeakPolarHBondContact OD1-CD1 3.44Å
190	W	98.6	Very high	97	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.008	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-24.5	-171.3	67.2	-87.3	0	0	0	116.5	L148 F164 G165 C166 N188 I193 L207 T244	L148-W190 HydrophobicContact CB-CB 3.9Å; L148-W190 HydrophobicContact CG-CB 4.23Å; L148-W190 WeakPolarHBondContact O-CB 3.49Å; F164-W190 HydrophobicContact CB-CE3 4.25Å; F164-W190 WeakPolarHBondContact O-CZ3 3.43Å; G165-W190 VanDerWaalsContact CA-CZ3 3.46Å; C166-W190 HydrophobicContact CB-CD2 4.05Å; C166-W190 HydrophobicContact CB-CG 4.32Å; C166-W190 HydrophobicContact CB-CZ2 4.04Å; N188-W190 VanDerWaalsContact ND2-CD1 3.33Å; N188-W190 VanDerWaalsContact OD1-CB 3.31Å; N188-W190 WeakPolarHBondContact OD1-CB 3.33Å; N188-W190 PolarHBondContact OD1-N 2.8Å; N188-W190 VanDerWaalsContact OD1-N 3.13Å; W190-I193 VanDerWaalsContact O-CD1 3.29Å; W190-I193 WeakPolarHBondContact O-CD1 3.42Å; W190-L207 HydrophobicContact CH2-CD1 4.42Å; W190-L207 HydrophobicContact CH2-CD2 4.49Å; W190-L207 HydrophobicContact CZ3-CD2 3.84Å; W190-T244 WeakPolarHBondContact CZ2-O 3.43Å; W190-T244 PolarHBondContact NE1-OG1 2.82Å
191	S	98.2	Very high	96.5	Very high	13 Å²	13	43 Å²	43	9%	0.091	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-8.5	-175.9	59	0	0	0	0	114.7	N189 I193 G246 G247	N189-S191 PolarHBondContact O-N 3.21Å; S191-I193 PolarHBondContact O-N 3.35Å; S191-G246 WeakPolarHBondContact OG-CA 3.36Å; S191-G247 PolarHBondContact OG-N 3.23Å
192	N	96.9	Very high	96.1	Very high	73 Å²	73	49 Å²	49	39%	0.39	31%	0.306	S	S	.	.			trans	-95.8	75	-177.8	-177.6	13.9	0	0	0	109.8	Q153 P154 N189	Q153-N192 WeakPolarHBondContact CG-O 3.28Å; Q153-N192 PolarHBondContact NE2-ND2 2.79Å; Q153-N192 PolarHBondContact NE2-OD1 2.97Å; Q153-N192 VanDerWaalsContact NE2-OD1 3.12Å; P154-N192 WeakPolarHBondContact CD-O 3.31Å; N189-N192 PolarHBondContact O-N 3.04Å
193	I	98	Very high	95.8	Very high	11 Å²	11	51.3 Å²	51.3	6%	0.056	30%	0.304	C	S	.	.			trans	-84.6	130.2	-171.7	-45.4	-58	0	0	0	110.9	P154 I156 F164 W190 S191 W205	P154-I193 HydrophobicContact CB-CD1 3.7Å; P154-I193 HydrophobicContact CG-CD1 3.9Å; I156-I193 HydrophobicContact CD1-CG2 4.39Å; I156-I193 HydrophobicContact CG1-CG2 4.22Å; I156-I193 HydrophobicContact CG2-CG2 4.06Å; F164-I193 HydrophobicContact CB-CD1 4.29Å; F164-I193 HydrophobicContact CD1-CD1 3.81Å; F164-I193 HydrophobicContact CD2-CD1 3.61Å; F164-I193 HydrophobicContact CD2-CG1 3.68Å; F164-I193 HydrophobicContact CE1-CD1 3.97Å; F164-I193 HydrophobicContact CE2-CD1 3.77Å; F164-I193 HydrophobicContact CE2-CG1 3.84Å; F164-I193 HydrophobicContact CE2-CG2 4.09Å; F164-I193 HydrophobicContact CG-CD1 3.62Å; F164-I193 HydrophobicContact CG-CG1 4.16Å; F164-I193 HydrophobicContact CZ-CD1 3.95Å; F164-I193 HydrophobicContact CZ-CG1 4.46Å; F164-I193 HydrophobicContact CZ-CG2 4.4Å; W190-I193 VanDerWaalsContact O-CD1 3.29Å; W190-I193 WeakPolarHBondContact O-CD1 3.42Å; S191-I193 PolarHBondContact O-N 3.35Å; I193-W205 HydrophobicContact CB-CD2 3.71Å; I193-W205 HydrophobicContact CB-CE3 3.97Å; I193-W205 HydrophobicContact CB-CG 4.18Å; I193-W205 HydrophobicContact CB-CH2 4.19Å; I193-W205 HydrophobicContact CB-CZ2 3.94Å; I193-W205 HydrophobicContact CB-CZ3 4.2Å; I193-W205 HydrophobicContact CG1-CD2 3.81Å; I193-W205 HydrophobicContact CG1-CE3 3.55Å; I193-W205 HydrophobicContact CG1-CG 4.44Å; I193-W205 HydrophobicContact CG1-CH2 4.18Å; I193-W205 HydrophobicContact CG1-CZ2 4.41Å; I193-W205 HydrophobicContact CG1-CZ3 3.75Å; I193-W205 HydrophobicContact CG2-CD2 4.16Å; I193-W205 HydrophobicContact CG2-CG 4.08Å
194	H	97.6	Very high	95.7	Very high	68 Å²	68	51 Å²	51	32%	0.315	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	122	167.4	-169.9	76	0	0	0	110.5	Q153 P154 I155 I156 F196	Q153-H194 HydrophobicContact CG-CB 4.24Å; P154-H194 PolarHBondContact O-N 2.97Å; I155-H194 WeakPolarHBondContact CA-O 3.47Å; I155-H194 HydrophobicContact CG1-CB 4.29Å; I156-H194 PolarHBondContact N-O 2.87Å; H194-F196 AromaticContact CD2-CD2 3.84Å; H194-F196 AromaticContact CD2-CE2 3.67Å; H194-F196 AromaticContact CD2-CZ 3.76Å; H194-F196 AromaticContact NE2-CD1 3.79Å; H194-F196 AromaticContact NE2-CE1 3.64Å; H194-F196 AromaticContact NE2-CZ 3.83Å
195	D	97.8	Very high	95.7	Very high	22 Å²	22	52.9 Å²	52.9	12%	0.118	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	115.8	173.8	-176	-2.6	0	0	0	109.6	I156 T197 P198 N204	I156-D195 HydrophobicContact CD1-CB 4.07Å; I156-D195 HydrophobicContact CG1-CB 3.8Å; D195-T197 VanDerWaalsContact C-N 3.27Å; D195-T197 PolarHBondContact O-N 3.36Å; D195-T197 VanDerWaalsContact OD1-C 3.3Å; D195-T197 PolarHBondContact OD1-N 2.83Å; D195-T197 PolarHBondContact OD1-OG1 2.92Å; D195-P198 WeakPolarHBondContact O-CD 3.18Å; D195-N204 VanDerWaalsContact OD2-CB 3.28Å; D195-N204 WeakPolarHBondContact OD2-CB 3.5Å; D195-N204 PolarHBondContact OD2-ND2 3.47Å
196	F	97.3	Very high	95.7	Very high	119 Å²	119	54 Å²	54	52%	0.522	32%	0.316	S	S	.	.	S	Bend	trans	-74.3	-17	177.6	-86.3	-71.1	0	0	0	113.5	I155 I156 E157 H194 P198	I155-F196 HydrophobicContact CB-CE2 4.46Å; I155-F196 HydrophobicContact CD1-CE2 4.14Å; I155-F196 HydrophobicContact CG1-CE2 4.25Å; I155-F196 HydrophobicContact CG2-CD2 3.43Å; I155-F196 VanDerWaalsContact CG2-CD2 3.43Å; I155-F196 HydrophobicContact CG2-CE2 3.39Å; I156-F196 PolarHBondContact O-N 2.8Å; E157-F196 HydrophobicContact CB-CB 4.18Å; E157-F196 HydrophobicContact CG-CB 4.2Å; H194-F196 AromaticContact CD2-CD2 3.84Å; H194-F196 AromaticContact CD2-CE2 3.67Å; H194-F196 AromaticContact CD2-CZ 3.76Å; H194-F196 AromaticContact NE2-CD1 3.79Å; H194-F196 AromaticContact NE2-CE1 3.64Å; H194-F196 AromaticContact NE2-CZ 3.83Å; F196-P198 VanDerWaalsContact C-CD 3.42Å
197	T	95.8	Very high	95.7	Very high	44 Å²	44	56 Å²	56	27%	0.27	33%	0.327	S	S	.	.	S	Bend	trans	-132.3	55.4	-173.3	52.9	0	0	0	0	111.5	E157 S158 D195 V199 N204	E157-T197 HydrophobicContact CG-CG2 4.02Å; S158-T197 WeakPolarHBondContact CA-OG1 3.39Å; S158-T197 PolarHBondContact N-OG1 3.01Å; D195-T197 VanDerWaalsContact C-N 3.27Å; D195-T197 PolarHBondContact O-N 3.36Å; D195-T197 VanDerWaalsContact OD1-C 3.3Å; D195-T197 PolarHBondContact OD1-N 2.83Å; D195-T197 PolarHBondContact OD1-OG1 2.92Å; T197-V199 PolarHBondContact O-N 2.98Å; T197-N204 PolarHBondContact O-ND2 2.85Å; T197-N204 VanDerWaalsContact O-ND2 3.1Å
198	P	94.3	Very high	95.7	Very high	97 Å²	97	55.2 Å²	55.2	63%	0.63	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-65.1	136.3	-179.4	29.3	-34.7	0	0	0	110.1	D195 F196	D195-P198 WeakPolarHBondContact O-CD 3.18Å; F196-P198 VanDerWaalsContact C-CD 3.42Å
199	V	90.8	Very high	95.7	Very high	70 Å²	70	58.3 Å²	58.3	42%	0.424	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-102.3	125.1	174.5	178.8	0	0	0	0	108.6	T197 G201 E202	T197-V199 PolarHBondContact O-N 2.98Å; V199-G201 PolarHBondContact O-N 3.46Å; V199-E202 HydrophobicContact CB-CB 4.12Å; V199-E202 HydrophobicContact CG1-CB 4.17Å; V199-E202 HydrophobicContact CG1-CG 4.1Å; V199-E202 PolarHBondContact O-N 3.15Å; V199-E202 VanDerWaalsContact O-N 3.08Å; V199-E202 VanDerWaalsContact O-O 3.13Å
200	S	89.9	Confident	95.5	Very high	127 Å²	127	63.9 Å²	63.9	89%	0.888	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	125.9	-178.3	-173.4	0	0	0	0	111.5	E202	S200-E202 VanDerWaalsContact C-N 3.26Å; S200-E202 PolarHBondContact O-N 2.82Å
201	G	87.6	Confident	95.3	Very high	86 Å²	86	70.2 Å²	70.2	89%	0.887	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	-4	-179.7	0	0	0	0	0	115.1	V199	V199-G201 PolarHBondContact O-N 3.46Å
202	E	88.6	Confident	95.3	Very high	128 Å²	128	70.3 Å²	70.3	60%	0.598	41%	0.405	S	S	*	.			trans	-112.3	155.6	173.6	-64	-174.4	-168.5	0	0	110.3	V199 S200	V199-E202 HydrophobicContact CB-CB 4.12Å; V199-E202 HydrophobicContact CG1-CB 4.17Å; V199-E202 HydrophobicContact CG1-CG 4.1Å; V199-E202 PolarHBondContact O-N 3.15Å; V199-E202 VanDerWaalsContact O-N 3.08Å; V199-E202 VanDerWaalsContact O-O 3.13Å; S200-E202 VanDerWaalsContact C-N 3.26Å; S200-E202 PolarHBondContact O-N 2.82Å
203	N	91.5	Very high	95.3	Very high	113 Å²	113	73.5 Å²	73.5	60%	0.604	42%	0.415	S	S	*	.			trans	-118.1	105.5	172.3	-160.3	2.7	0	0	0	109.2	W205	N203-W205 PolarHBondContact ND2-O 3.39Å; N203-W205 PolarHBondContact O-N 3.38Å; N203-W205 PolarHBondContact OD1-O 3.22Å
204	N	97.4	Very high	95.3	Very high	10 Å²	10	73 Å²	73	5%	0.053	41%	0.412	C	S	.	.	S	Bend	trans	-67.1	-22.1	-179.2	-75.1	-31.1	0	0	0	112.3	I156 S159 G161 M162 D195 T197	I156-N204 HydrophobicContact CD1-CB 4.09Å; S159-N204 WeakPolarHBondContact O-CB 3.49Å; S159-N204 VanDerWaalsContact O-CG 3.28Å; S159-N204 PolarHBondContact O-OD1 3.24Å; G161-N204 PolarHBondContact N-O 3.26Å; M162-N204 PolarHBondContact N-O 2.89Å; D195-N204 VanDerWaalsContact OD2-CB 3.28Å; D195-N204 WeakPolarHBondContact OD2-CB 3.5Å; D195-N204 PolarHBondContact OD2-ND2 3.47Å; T197-N204 PolarHBondContact O-ND2 2.85Å; T197-N204 VanDerWaalsContact O-ND2 3.1Å
205	W	98.1	Very high	95.3	Very high	62 Å²	62	71.8 Å²	71.8	24%	0.235	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	162.1	179.1	66.1	-86.6	0	0	0	113.2	I156 M162 F164 I193 N203 L207	I156-W205 HydrophobicContact CD1-CB 3.94Å; I156-W205 HydrophobicContact CD1-CG 4.16Å; M162-W205 HydrophobicContact CB-CB 3.9Å; M162-W205 CarbonylContact O-C 3.52Å; M162-W205 WeakPolarHBondContact O-CA 3.38Å; F164-W205 HydrophobicContact CD2-CB 4.45Å; F164-W205 HydrophobicContact CE2-CB 4.09Å; I193-W205 HydrophobicContact CB-CD2 3.71Å; I193-W205 HydrophobicContact CB-CE3 3.97Å; I193-W205 HydrophobicContact CB-CG 4.18Å; I193-W205 HydrophobicContact CB-CH2 4.19Å; I193-W205 HydrophobicContact CB-CZ2 3.94Å; I193-W205 HydrophobicContact CB-CZ3 4.2Å; I193-W205 HydrophobicContact CG1-CD2 3.81Å; I193-W205 HydrophobicContact CG1-CE3 3.55Å; I193-W205 HydrophobicContact CG1-CG 4.44Å; I193-W205 HydrophobicContact CG1-CH2 4.18Å; I193-W205 HydrophobicContact CG1-CZ2 4.41Å; I193-W205 HydrophobicContact CG1-CZ3 3.75Å; I193-W205 HydrophobicContact CG2-CD2 4.16Å; I193-W205 HydrophobicContact CG2-CG 4.08Å; N203-W205 PolarHBondContact ND2-O 3.39Å; N203-W205 PolarHBondContact O-N 3.38Å; N203-W205 PolarHBondContact OD1-O 3.22Å; W205-L207 HydrophobicContact CE3-CD2 4.43Å; W205-L207 HydrophobicContact CZ3-CD2 3.87Å; W205-L207 HydrophobicContact CZ3-CG 4.39Å
206	S	98.2	Very high	95.2	Very high	46 Å²	46	76.1 Å²	76.1	32%	0.322	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	174.3	172.3	54.2	0	0	0	0	109.8	M162 K163 F164	M162-S206 PolarHBondContact O-N 3.33Å; K163-S206 CarbonylContact C-O 3.57Å; K163-S206 VanDerWaalsContact CA-O 3.26Å; K163-S206 WeakPolarHBondContact CA-O 3.45Å; F164-S206 PolarHBondContact N-O 3.49Å
207	L	98.6	Very high	95.3	Very high	43 Å²	43	72 Å²	72	23%	0.225	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	141.8	170.7	-53.3	-178.2	0	0	0	109.1	F164 W190 W205 R248	F164-L207 HydrophobicContact CB-CD2 4.31Å; F164-L207 CarbonylContact O-C 3.54Å; F164-L207 VanDerWaalsContact O-CA 3.29Å; F164-L207 WeakPolarHBondContact O-CA 3.28Å; W190-L207 HydrophobicContact CH2-CD1 4.42Å; W190-L207 HydrophobicContact CH2-CD2 4.49Å; W190-L207 HydrophobicContact CZ3-CD2 3.84Å; W205-L207 HydrophobicContact CE3-CD2 4.43Å; W205-L207 HydrophobicContact CZ3-CD2 3.87Å; W205-L207 HydrophobicContact CZ3-CG 4.39Å; L207-R248 HydrophobicContact CD1-CG 3.55Å
208	L	98.5	Very high	95.3	Very high	3 Å²	3	70 Å²	70	2%	0.016	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-59.2	156.5	169.8	-73.4	171	0	0	0	110.1	D145 F147 K163 F164 A212 F217 R248	D145-L208 HydrophobicContact CB-CD2 4.3Å; F147-L208 HydrophobicContact CD1-CD1 4.4Å; F147-L208 HydrophobicContact CD2-CD1 4.43Å; F147-L208 HydrophobicContact CE1-CD1 3.99Å; F147-L208 HydrophobicContact CE2-CD1 3.99Å; F147-L208 HydrophobicContact CZ-CD1 3.77Å; K163-L208 HydrophobicContact CB-CD2 3.61Å; K163-L208 HydrophobicContact CB-CG 3.85Å; K163-L208 HydrophobicContact CD-CD2 3.88Å; K163-L208 HydrophobicContact CG-CD2 4.42Å; F164-L208 PolarHBondContact O-N 2.89Å; L208-A212 HydrophobicContact CB-CB 4.32Å; L208-F217 HydrophobicContact CD2-CE1 3.95Å; L208-F217 HydrophobicContact CD2-CZ 4.05Å; L208-R248 PolarHBondContact O-NH1 2.91Å; L208-R248 PolarHBondContact O-NH2 3.11Å
209	P	97.3	Very high	95.3	Very high	75 Å²	75	67.3 Å²	67.3	49%	0.487	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-53.8	147.3	169.6	-25.2	35.2	0	0	0	112.1	D211 A212	P209-D211 WeakPolarHBondContact CB-OD1 3.01Å; P209-D211 PolarHBondContact O-N 3.27Å; P209-A212 HydrophobicContact CB-CB 4.36Å; P209-A212 WeakPolarHBondContact O-CB 3.26Å; P209-A212 PolarHBondContact O-N 3.37Å
210	E	94.5	Very high	95.4	Very high	130 Å²	130	67.2 Å²	67.2	61%	0.607	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-27.4	179	-72	-174.4	-149.7	0	0	112.5	A212 K245 R248	E210-A212 VanDerWaalsContact C-N 3.32Å; E210-K245 IonicContact OE1-NZ 2.61Å; E210-R248 WeakPolarHBondContact OE1-CD 3.42Å
211	D	94.8	Very high	95.5	Very high	134 Å²	134	62 Å²	62	72%	0.717	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	6.4	176.8	64.9	-23.2	0	0	0	113.5	P209 K213	P209-D211 WeakPolarHBondContact CB-OD1 3.01Å; P209-D211 PolarHBondContact O-N 3.27Å; D211-K213 PolarHBondContact O-N 3.45Å
212	A	97.3	Very high	95.5	Very high	16 Å²	16	61.7 Å²	61.7	13%	0.132	34%	0.337	C	S	.	.			trans	-63.2	117	178.7	0	0	0	0	0	110.9	F147 L208 P209 E210 F217	F147-A212 HydrophobicContact CZ-CB 4.48Å; L208-A212 HydrophobicContact CB-CB 4.32Å; P209-A212 HydrophobicContact CB-CB 4.36Å; P209-A212 WeakPolarHBondContact O-CB 3.26Å; P209-A212 PolarHBondContact O-N 3.37Å; E210-A212 VanDerWaalsContact C-N 3.32Å; A212-F217 HydrophobicContact CB-CE2 3.91Å; A212-F217 HydrophobicContact CB-CZ 4.31Å
213	K	97.3	Very high	95.4	Very high	139 Å²	139	60.3 Å²	60.3	60%	0.604	34%	0.34	S	S	*	.			trans	-87.2	123.8	177.8	-59.5	-178.4	-179.9	-177.6	0	110.1	D211 A215 D216 F217	D211-K213 PolarHBondContact O-N 3.45Å; K213-A215 PolarHBondContact O-N 2.91Å; K213-A215 VanDerWaalsContact O-N 3.08Å; K213-D216 WeakPolarHBondContact O-CB 3.31Å; K213-D216 PolarHBondContact O-N 3.08Å; K213-F217 VanDerWaalsContact O-CD2 3.31Å; K213-F217 WeakPolarHBondContact O-CD2 3.29Å
214	V	98	Very high	95.1	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.006	35%	0.347	C	S	.	.	H	α-helix	trans	-50.1	-39.6	178.5	174.5	0	0	0	0	112.2	V130 F147 Q168 Y169 D216 F217 V218 T234	V130-V214 HydrophobicContact CG2-CG1 3.65Å; F147-V214 HydrophobicContact CD1-CG2 3.6Å; F147-V214 HydrophobicContact CD2-CG2 4.26Å; F147-V214 HydrophobicContact CE1-CG2 3.6Å; F147-V214 HydrophobicContact CE2-CG2 4.27Å; F147-V214 HydrophobicContact CG-CG2 3.94Å; F147-V214 HydrophobicContact CZ-CB 4.45Å; F147-V214 HydrophobicContact CZ-CG2 3.95Å; Q168-V214 HydrophobicContact CB-CG2 3.77Å; Q168-V214 HydrophobicContact CG-CG2 4.02Å; Y169-V214 HydrophobicContact CD2-CG1 4.45Å; V214-D216 PolarHBondContact O-N 3.27Å; V214-F217 PolarHBondContact O-N 2.93Å; V214-V218 PolarHBondContact O-N 2.81Å; V214-T234 HydrophobicContact CB-CG2 4.12Å; V214-T234 HydrophobicContact CG1-CG2 3.74Å
215	A	97.1	Very high	94.8	Very high	43 Å²	43	63 Å²	63	36%	0.355	35%	0.35	S	S	.	.	H	α-helix	trans	-59.9	-26.8	179.9	0	0	0	0	0	114.7	K213 F217	K213-A215 PolarHBondContact O-N 2.91Å; K213-A215 VanDerWaalsContact O-N 3.08Å; A215-F217 VanDerWaalsContact C-N 3.26Å; A215-F217 PolarHBondContact O-N 3.43Å
216	D	97.6	Very high	94.3	Very high	112 Å²	112	66.3 Å²	66.3	60%	0.599	37%	0.372	S	S	*	.	H	α-helix	trans	-75.7	-19.7	177.1	-62.9	-26	0	0	0	112	K213 V214	K213-D216 WeakPolarHBondContact O-CB 3.31Å; K213-D216 PolarHBondContact O-N 3.08Å; V214-D216 PolarHBondContact O-N 3.27Å
217	F	98.3	Very high	94.1	Very high	33 Å²	33	64.6 Å²	64.6	15%	0.145	36%	0.359	C	S	.	.	H	α-helix	trans	-101.9	-46.5	-179.8	-64.6	-97.8	0	0	0	111.6	K128 D145 F147 L208 A212 K213 V214 A215	K128-F217 HydrophobicContact CB-CB 4.29Å; K128-F217 WeakPolarHBondContact CB-O 3.42Å; K128-F217 HydrophobicContact CD-CB 3.99Å; K128-F217 HydrophobicContact CD-CD1 4.09Å; K128-F217 HydrophobicContact CD-CG 4.48Å; K128-F217 WeakPolarHBondContact CD-O 3.4Å; D145-F217 HydrophobicContact CB-CD1 3.63Å; D145-F217 HydrophobicContact CB-CE1 3.93Å; D145-F217 WeakPolarHBondContact OD2-CD1 3.43Å; D145-F217 WeakPolarHBondContact OD2-CE1 3.32Å; F147-F217 HydrophobicContact CE2-CB 3.76Å; F147-F217 HydrophobicContact CE2-CD1 4.44Å; F147-F217 AromaticContact CE2-CD2 3.83Å; F147-F217 HydrophobicContact CE2-CD2 3.83Å; F147-F217 AromaticContact CE2-CG 3.76Å; F147-F217 HydrophobicContact CE2-CG 3.76Å; F147-F217 HydrophobicContact CZ-CB 4.47Å; F147-F217 AromaticContact CZ-CD2 3.68Å; F147-F217 HydrophobicContact CZ-CD2 3.68Å; F147-F217 HydrophobicContact CZ-CE2 4.1Å; F147-F217 HydrophobicContact CZ-CG 4.1Å; L208-F217 HydrophobicContact CD2-CE1 3.95Å; L208-F217 HydrophobicContact CD2-CZ 4.05Å; A212-F217 HydrophobicContact CB-CE2 3.91Å; A212-F217 HydrophobicContact CB-CZ 4.31Å; K213-F217 VanDerWaalsContact O-CD2 3.31Å; K213-F217 WeakPolarHBondContact O-CD2 3.29Å; V214-F217 PolarHBondContact O-N 2.93Å; A215-F217 VanDerWaalsContact C-N 3.26Å; A215-F217 PolarHBondContact O-N 3.43Å
218	V	96.8	Very high	93.7	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.006	38%	0.378	C	S	.	.	S	Bend	trans	-131.3	92.2	-178.5	-172.1	0	0	0	0	107.7	F92 V111 K128 V130 V214	F92-V218 HydrophobicContact CE1-CG1 4.45Å; V111-V218 HydrophobicContact CG2-CG1 3.47Å; V111-V218 VanDerWaalsContact CG2-CG1 3.47Å; K128-V218 HydrophobicContact CB-CG2 4.11Å; V130-V218 HydrophobicContact CG2-CB 4.34Å; V130-V218 HydrophobicContact CG2-CG2 4.18Å; V214-V218 PolarHBondContact O-N 2.81Å
219	P	94.3	Very high	93.3	Very high	41 Å²	41	73.4 Å²	73.4	27%	0.266	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-69.4	163.6	179.7	31	-32.9	0	0	0	110.6
220	A	92.4	Very high	93.2	Very high	69 Å²	69	70.5 Å²	70.5	57%	0.57	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-56.7	151.1	172	0	0	0	0	0	110.9
221	P	91.9	Very high	93.2	Very high	17 Å²	17	73.8 Å²	73.8	11%	0.11	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-55	151.6	173.7	-20.3	28.7	0	0	0	112	F92 F227 I232	F92-P221 HydrophobicContact CD1-CG 3.88Å; F92-P221 HydrophobicContact CD2-CB 4.19Å; F92-P221 HydrophobicContact CD2-CG 4.02Å; F92-P221 HydrophobicContact CE1-CG 3.71Å; F92-P221 HydrophobicContact CE2-CB 3.85Å; F92-P221 HydrophobicContact CE2-CG 3.85Å; F92-P221 HydrophobicContact CG-CG 4.03Å; F92-P221 HydrophobicContact CZ-CB 4.06Å; F92-P221 HydrophobicContact CZ-CG 3.7Å; P221-F227 HydrophobicContact CB-CB 3.54Å; P221-F227 HydrophobicContact CB-CD2 4.18Å; P221-F227 HydrophobicContact CB-CG 4.18Å; P221-F227 HydrophobicContact CG-CB 3.64Å; P221-F227 HydrophobicContact CG-CG 4.28Å; P221-I232 HydrophobicContact CG-CD1 3.62Å
222	D	88.1	Confident	93.3	Very high	80 Å²	80	69.3 Å²	69.3	43%	0.428	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-55.7	137.5	177.6	-59.2	-54.1	0	0	0	110.4	T68 E224 S225	T68-D222 WeakPolarHBondContact CB-OD2 3.08Å; T68-D222 PolarHBondContact OG1-OD2 3.02Å; D222-E224 PolarHBondContact O-N 3.13Å; D222-S225 VanDerWaalsContact O-CB 3.25Å; D222-S225 WeakPolarHBondContact O-CB 3.27Å; D222-S225 PolarHBondContact O-N 2.92Å; D222-S225 PolarHBondContact O-OG 3.19Å
223	P	84.8	Confident	93.3	Very high	99 Å²	99	69.1 Å²	69.1	64%	0.643	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-24.4	-178.1	-27.2	35	0	0	0	114.6	K228	P223-K228 VanDerWaalsContact O-CB 3.29Å; P223-K228 WeakPolarHBondContact O-CB 3.37Å; P223-K228 WeakPolarHBondContact O-CD 3.38Å
224	E	86.6	Confident	93.3	Very high	161 Å²	161	63.5 Å²	63.5	75%	0.752	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-4.8	177.8	-60.7	-52.1	138.2	0	0	113.4	D222	D222-E224 PolarHBondContact O-N 3.13Å
225	S	89.6	Confident	93.2	Very high	17 Å²	17	69 Å²	69	12%	0.119	37%	0.37	C	S	.	.	S	Bend	trans	-73.4	163.8	176.8	73.2	0	0	0	0	112.2	D222 F227 K228	D222-S225 VanDerWaalsContact O-CB 3.25Å; D222-S225 WeakPolarHBondContact O-CB 3.27Å; D222-S225 PolarHBondContact O-N 2.92Å; D222-S225 PolarHBondContact O-OG 3.19Å; S225-F227 PolarHBondContact O-N 3.21Å; S225-F227 PolarHBondContact OG-N 3.07Å; S225-K228 WeakPolarHBondContact O-CG 3.36Å; S225-K228 PolarHBondContact O-N 3.21Å
226	D	89.1	Confident	93.1	Very high	133 Å²	133	69.1 Å²	69.1	71%	0.711	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-60.9	-17.5	175.6	-63.6	-32.4	0	0	0	112.9	K228	D226-K228 VanDerWaalsContact C-N 3.34Å; D226-K228 PolarHBondContact O-N 2.57Å
227	F	93.6	Very high	92.9	Very high	9 Å²	9	70.3 Å²	70.3	4%	0.039	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-82.6	-5.6	-178.6	-54.6	-73.1	0	0	0	114.4	T68 L72 F92 L94 P221 S225 S229 V230	T68-F227 HydrophobicContact CG2-CD2 4.09Å; T68-F227 HydrophobicContact CG2-CE2 4.12Å; L72-F227 HydrophobicContact CD2-CD1 3.78Å; L72-F227 HydrophobicContact CD2-CE1 4.21Å; F92-F227 HydrophobicContact CB-CD1 4Å; F92-F227 HydrophobicContact CB-CD2 4.4Å; F92-F227 HydrophobicContact CB-CE1 3.88Å; F92-F227 HydrophobicContact CB-CE2 4.29Å; F92-F227 HydrophobicContact CB-CG 4.29Å; F92-F227 HydrophobicContact CB-CZ 4.06Å; F92-F227 HydrophobicContact CD2-CD2 4.13Å; F92-F227 HydrophobicContact CD2-CE2 4.26Å; F92-F227 WeakPolarHBondContact O-CE1 2.96Å; L94-F227 HydrophobicContact CD1-CD1 3.93Å; P221-F227 HydrophobicContact CB-CB 3.54Å; P221-F227 HydrophobicContact CB-CD2 4.18Å; P221-F227 HydrophobicContact CB-CG 4.18Å; P221-F227 HydrophobicContact CG-CB 3.64Å; P221-F227 HydrophobicContact CG-CG 4.28Å; S225-F227 PolarHBondContact O-N 3.21Å; S225-F227 PolarHBondContact OG-N 3.07Å; F227-S229 PolarHBondContact O-N 3.48Å; F227-V230 PolarHBondContact O-N 3.22Å
228	K	89.5	Confident	92.8	Very high	145 Å²	145	74.6 Å²	74.6	63%	0.63	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-57.3	-21.3	-179.5	71.1	-173.4	179.1	-171.9	0	114.6	P223 S225 D226 V230	P223-K228 VanDerWaalsContact O-CB 3.29Å; P223-K228 WeakPolarHBondContact O-CB 3.37Å; P223-K228 WeakPolarHBondContact O-CD 3.38Å; S225-K228 WeakPolarHBondContact O-CG 3.36Å; S225-K228 PolarHBondContact O-N 3.21Å; D226-K228 VanDerWaalsContact C-N 3.34Å; D226-K228 PolarHBondContact O-N 2.57Å; K228-V230 VanDerWaalsContact C-N 3.34Å
229	S	90.2	Very high	92.8	Very high	87 Å²	87	74.7 Å²	74.7	61%	0.608	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-75.4	-22.2	177.2	59.6	0	0	0	0	113.1	F227	F227-S229 PolarHBondContact O-N 3.48Å
230	V	94.6	Very high	93	Very high	14 Å²	14	73.5 Å²	73.5	9%	0.085	39%	0.386	C	S	.	.	S	Bend	trans	-88.1	118.3	-175.9	-171.5	0	0	0	0	109.8	L72 P73 L94 Y171 F227 K228 I232	L72-V230 HydrophobicContact CD2-CG2 3.73Å; P73-V230 HydrophobicContact CG-CG2 4.37Å; L94-V230 HydrophobicContact CD1-CB 3.99Å; L94-V230 HydrophobicContact CD1-CG1 3.82Å; L94-V230 HydrophobicContact CD1-CG2 3.93Å; Y171-V230 HydrophobicContact CD2-CG1 4.33Å; Y171-V230 HydrophobicContact CG-CG1 4.1Å; F227-V230 PolarHBondContact O-N 3.22Å; K228-V230 VanDerWaalsContact C-N 3.34Å; V230-I232 VanDerWaalsContact C-N 3.33Å; V230-I232 HydrophobicContact CG1-CG1 4.08Å; V230-I232 PolarHBondContact O-N 2.8Å
231	R	95.3	Very high	93.3	Very high	199 Å²	199	70.3 Å²	70.3	75%	0.751	36%	0.359	S	S	*	.			trans	-78.7	80.5	-177.6	-64.5	-178.3	-176.7	179.7	0.8	111.3	P172	P172-R231 HydrophobicContact CG-CB 4.21Å
232	I	96.8	Very high	93.6	Very high	39 Å²	39	70 Å²	70	20%	0.2	36%	0.356	C	S	.	.			trans	-77.3	140.7	179.7	-69.7	158.6	0	0	0	110.9	L94 Y169 Y170 P221 V230	L94-I232 HydrophobicContact CD1-CD1 4.1Å; Y169-I232 HydrophobicContact CE1-CG1 4.15Å; Y169-I232 HydrophobicContact CE1-CG2 3.89Å; Y169-I232 HydrophobicContact CE2-CG2 3.89Å; Y169-I232 VanDerWaalsContact CZ-CG2 3.4Å; Y169-I232 WeakPolarHBondContact OH-CD1 3.49Å; Y169-I232 VanDerWaalsContact OH-CG2 3.25Å; Y169-I232 WeakPolarHBondContact OH-CG2 3.48Å; Y170-I232 CarbonylContact O-C 3.46Å; Y170-I232 VanDerWaalsContact O-CA 3.3Å; Y170-I232 WeakPolarHBondContact O-CA 3.3Å; P221-I232 HydrophobicContact CG-CD1 3.62Å; V230-I232 VanDerWaalsContact C-N 3.33Å; V230-I232 HydrophobicContact CG1-CG1 4.08Å; V230-I232 PolarHBondContact O-N 2.8Å
233	S	97.6	Very high	94	Very high	12 Å²	12	69.2 Å²	69.2	8%	0.084	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-134.6	136.1	165.2	175.2	0	0	0	0	109.8	Y169 Y170 E235 R238	Y169-S233 CarbonylContact C-O 3.55Å; Y170-S233 PolarHBondContact N-O 2.83Å; Y170-S233 PolarHBondContact O-N 2.8Å; S233-E235 PolarHBondContact OG-N 3.11Å; S233-R238 WeakPolarHBondContact OG-CD 3.29Å
234	T	97.4	Very high	94.7	Very high	22 Å²	22	65.1 Å²	65.1	14%	0.135	33%	0.325	C	S	.	.			trans	-107	8.5	172.4	53.5	0	0	0	0	112	Q168 Y169 V214	Q168-T234 WeakPolarHBondContact CG-O 3.28Å; Q168-T234 PolarHBondContact NE2-O 3.42Å; Y169-T234 HydrophobicContact CD2-CG2 3.85Å; Y169-T234 HydrophobicContact CE2-CG2 3.73Å; V214-T234 HydrophobicContact CB-CG2 4.12Å; V214-T234 HydrophobicContact CG1-CG2 3.74Å
235	E	96.6	Very high	95.2	Very high	115 Å²	115	58.2 Å²	58.2	54%	0.537	29%	0.293	S	S	.	.			trans	-70.4	144.6	176.2	-58.2	-53.5	128.2	0	0	111.8	S233 D237 R238 S239	S233-E235 PolarHBondContact OG-N 3.11Å; E235-D237 VanDerWaalsContact CB-OD1 3.24Å; E235-D237 WeakPolarHBondContact CB-OD1 3.41Å; E235-R238 HydrophobicContact CB-CG 4.31Å; E235-R238 PolarHBondContact O-N 3.13Å; E235-S239 PolarHBondContact O-N 2.84Å
236	A	93.6	Very high	95.5	Very high	47 Å²	47	58.1 Å²	58.1	39%	0.388	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-43.3	-174.3	0	0	0	0	0	112.8	R238 S239 L243	A236-R238 PolarHBondContact O-N 3.39Å; A236-S239 WeakPolarHBondContact O-CB 3.32Å; A236-S239 PolarHBondContact O-N 2.79Å; A236-L243 HydrophobicContact CB-CD1 4.27Å; A236-L243 HydrophobicContact CB-CD2 3.66Å; A236-L243 WeakPolarHBondContact O-CD1 3.19Å
237	D	93.3	Very high	95.8	Very high	137 Å²	137	54.7 Å²	54.7	73%	0.733	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.3	179.5	66.3	-30.9	0	0	0	113.3	E235	E235-D237 VanDerWaalsContact CB-OD1 3.24Å; E235-D237 WeakPolarHBondContact CB-OD1 3.41Å
238	R	96.4	Very high	95.9	Very high	122 Å²	122	56.4 Å²	56.4	46%	0.46	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-9.7	178.4	-53.6	-162.5	78.7	-155.3	4	113.5	Y170 S233 E235 A236 I240	Y170-R238 VanDerWaalsContact CB-O 3.3Å; Y170-R238 WeakPolarHBondContact CB-O 3.39Å; Y170-R238 VanDerWaalsContact CD2-O 3.29Å; Y170-R238 WeakPolarHBondContact CD2-O 3.46Å; Y170-R238 HydrophobicContact CG-CB 4.45Å; S233-R238 WeakPolarHBondContact OG-CD 3.29Å; E235-R238 HydrophobicContact CB-CG 4.31Å; E235-R238 PolarHBondContact O-N 3.13Å; A236-R238 PolarHBondContact O-N 3.39Å; R238-I240 PolarHBondContact O-N 2.73Å
239	S	97.9	Very high	96.2	Very high	4 Å²	4	60.1 Å²	60.1	3%	0.028	31%	0.307	C	S	.	.			trans	-57.2	136	-174.3	-176.1	0	0	0	0	112.6	Q168 Y169 E235 A236 V241 R271	Q168-S239 WeakPolarHBondContact CA-OG 3.35Å; Y169-S239 PolarHBondContact N-OG 3.46Å; E235-S239 PolarHBondContact O-N 2.84Å; A236-S239 WeakPolarHBondContact O-CB 3.32Å; A236-S239 PolarHBondContact O-N 2.79Å; S239-V241 VanDerWaalsContact C-N 3.34Å; S239-V241 WeakPolarHBondContact CB-O 3.25Å; S239-V241 PolarHBondContact OG-N 3.22Å; S239-V241 PolarHBondContact OG-O 2.8Å; S239-R271 PolarHBondContact O-NH1 2.93Å
240	I	97.7	Very high	96.4	Very high	16 Å²	16	59.4 Å²	59.4	8%	0.082	29%	0.293	C	S	.	.	S	Bend	trans	-69.6	-33.4	173.1	-68.6	-58.9	0	0	0	111.5	Y169 Y170 L174 A175 F178 I185 R238 R271	Y169-I240 PolarHBondContact O-N 2.89Å; Y169-I240 VanDerWaalsContact O-N 3.1Å; Y170-I240 HydrophobicContact CD2-CD1 3.65Å; Y170-I240 HydrophobicContact CD2-CG1 3.85Å; Y170-I240 HydrophobicContact CE2-CD1 3.95Å; L174-I240 HydrophobicContact CB-CG1 4.04Å; L174-I240 HydrophobicContact CD2-CB 3.92Å; L174-I240 HydrophobicContact CD2-CG1 3.69Å; L174-I240 HydrophobicContact CG-CB 4.16Å; L174-I240 HydrophobicContact CG-CG1 3.86Å; L174-I240 HydrophobicContact CG-CG2 4.33Å; A175-I240 HydrophobicContact CB-CD1 4.15Å; F178-I240 HydrophobicContact CD2-CG2 3.7Å; F178-I240 HydrophobicContact CE2-CB 4.46Å; F178-I240 HydrophobicContact CE2-CG2 3.79Å; I185-I240 WeakPolarHBondContact CD1-O 3.44Å; I185-I240 HydrophobicContact CG2-CG2 3.74Å; R238-I240 PolarHBondContact O-N 2.73Å; I240-R271 PolarHBondContact O-NH2 2.93Å
241	V	98.4	Very high	96.2	Very high	2 Å²	2	65 Å²	65	1%	0.012	32%	0.322	C	S	.	.	S	Bend	trans	-94.4	126.8	174.1	179.5	0	0	0	0	108.2	C149 F167 F178 N188 S239 L243	C149-V241 HydrophobicContact CB-CG1 4.48Å; C149-V241 HydrophobicContact CB-CG2 4.09Å; F167-V241 HydrophobicContact CB-CB 4.23Å; F167-V241 HydrophobicContact CB-CG1 4.44Å; F167-V241 HydrophobicContact CB-CG2 4.3Å; F167-V241 HydrophobicContact CD1-CB 3.75Å; F167-V241 HydrophobicContact CD1-CG2 3.52Å; F167-V241 HydrophobicContact CE1-CG2 4.03Å; F167-V241 HydrophobicContact CG-CB 4.34Å; F167-V241 HydrophobicContact CG-CG2 4.05Å; F178-V241 HydrophobicContact CE1-CG2 4.03Å; F178-V241 HydrophobicContact CE2-CG2 4.1Å; F178-V241 HydrophobicContact CZ-CG2 3.43Å; F178-V241 VanDerWaalsContact CZ-CG2 3.43Å; N188-V241 HydrophobicContact CB-CG1 4.49Å; S239-V241 VanDerWaalsContact C-N 3.34Å; S239-V241 WeakPolarHBondContact CB-O 3.25Å; S239-V241 PolarHBondContact OG-N 3.22Å; S239-V241 PolarHBondContact OG-O 2.8Å; V241-L243 PolarHBondContact O-N 2.84Å
242	P	98.1	Very high	96.3	Very high	9 Å²	9	55.9 Å²	55.9	6%	0.058	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-53.7	132.8	171.6	-26.9	36.4	0	0	0	111.4	I185 F186 T244 I274 L284	I185-P242 WeakPolarHBondContact O-CD 3.4Å; F186-P242 HydrophobicContact CD1-CG 4.18Å; F186-P242 HydrophobicContact CE1-CG 4Å; P242-T244 PolarHBondContact O-N 3.06Å; P242-I274 HydrophobicContact CB-CD1 3.85Å; P242-I274 HydrophobicContact CG-CD1 3.95Å; P242-L284 HydrophobicContact CB-CD2 3.78Å
243	L	97.9	Very high	96.1	Very high	65 Å²	65	62.3 Å²	62.3	34%	0.34	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-73.1	119.9	175.9	-79.9	73.6	0	0	0	108.9	Q168 A236 V241	Q168-L243 HydrophobicContact CB-CD1 4.47Å; Q168-L243 HydrophobicContact CG-CD1 4.45Å; A236-L243 HydrophobicContact CB-CD1 4.27Å; A236-L243 HydrophobicContact CB-CD2 3.66Å; A236-L243 WeakPolarHBondContact O-CD1 3.19Å; V241-L243 PolarHBondContact O-N 2.84Å
244	T	98.1	Very high	96.1	Very high	12 Å²	12	62.3 Å²	62.3	7%	0.074	32%	0.317	C	S	.	.			trans	-112.1	145.9	179.8	64.3	0	0	0	0	110.8	W190 P242 G246 L284 V285	W190-T244 WeakPolarHBondContact CZ2-O 3.43Å; W190-T244 PolarHBondContact NE1-OG1 2.82Å; P242-T244 PolarHBondContact O-N 3.06Å; T244-G246 VanDerWaalsContact C-N 3.25Å; T244-G246 PolarHBondContact O-N 3.1Å; T244-L284 WeakPolarHBondContact CA-O 3.32Å; T244-L284 HydrophobicContact CG2-CD2 3.91Å; T244-L284 HydrophobicContact CG2-CG 4.16Å; T244-V285 WeakPolarHBondContact CB-O 3.35Å
245	K	97.4	Very high	96.1	Very high	17 Å²	17	61.4 Å²	61.4	7%	0.074	31%	0.312	C	S	.	.			trans	-69.4	-26.2	174.4	-173.2	151.5	176.6	142	0	111.8	E210 R248 R249 D251 V283 L284 V285	E210-K245 IonicContact OE1-NZ 2.61Å; K245-R248 HydrophobicContact CG-CB 3.77Å; K245-R248 WeakPolarHBondContact O-CB 3.45Å; K245-R248 WeakPolarHBondContact O-CD 3.24Å; K245-R248 WeakPolarHBondContact O-CG 3.5Å; K245-R248 PolarHBondContact O-N 2.76Å; K245-R249 WeakPolarHBondContact CE-O 3.37Å; K245-R249 PolarHBondContact NZ-O 2.92Å; K245-D251 IonicContact NZ-OD1 3.81Å; K245-D251 IonicContact NZ-OD2 3.73Å; K245-D251 PolarHBondContact NZ-OD2 2.97Å; K245-V283 HydrophobicContact CB-CG1 3.91Å; K245-V283 HydrophobicContact CD-CG1 3.65Å; K245-V283 HydrophobicContact CG-CG1 4.41Å; K245-L284 PolarHBondContact N-O 2.83Å; K245-V285 PolarHBondContact N-O 3.43Å
246	G	96.2	Very high	96.2	Very high	14 Å²	14	56 Å²	56	14%	0.144	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	-140.4	178.1	0	0	0	0	0	112	S191 T244 R248 V285	S191-G246 WeakPolarHBondContact OG-CA 3.36Å; T244-G246 VanDerWaalsContact C-N 3.25Å; T244-G246 PolarHBondContact O-N 3.1Å; G246-R248 PolarHBondContact O-N 3.01Å; G246-R248 VanDerWaalsContact O-N 3.14Å; G246-V285 WeakPolarHBondContact CA-O 3.48Å; G246-V285 PolarHBondContact N-O 2.78Å
247	G	94.8	Very high	96.4	Very high	62 Å²	62	53.7 Å²	53.7	64%	0.639	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	14.1	-179.9	0	0	0	0	0	115	S191	S191-G247 PolarHBondContact OG-N 3.23Å
248	R	96.9	Very high	96.7	Very high	44 Å²	44	47.2 Å²	47.2	17%	0.166	23%	0.233	C	C	.	.	S	Bend	trans	-71	157.9	173.2	-64.2	178.9	-168.9	-83.9	-0.6	110.5	L207 L208 E210 K245 G246 K250	L207-R248 HydrophobicContact CD1-CG 3.55Å; L208-R248 PolarHBondContact O-NH1 2.91Å; L208-R248 PolarHBondContact O-NH2 3.11Å; E210-R248 WeakPolarHBondContact OE1-CD 3.42Å; K245-R248 HydrophobicContact CG-CB 3.77Å; K245-R248 WeakPolarHBondContact O-CB 3.45Å; K245-R248 WeakPolarHBondContact O-CD 3.24Å; K245-R248 WeakPolarHBondContact O-CG 3.5Å; K245-R248 PolarHBondContact O-N 2.76Å; G246-R248 PolarHBondContact O-N 3.01Å; G246-R248 VanDerWaalsContact O-N 3.14Å; R248-K250 PolarHBondContact O-N 3.18Å
249	R	95.2	Very high	96.7	Very high	224 Å²	224	41.4 Å²	41.4	85%	0.845	21%	0.211	S	C	*	.	P	Polyproline II helix	trans	-61.1	127.6	175.9	-176.3	178.2	-180	-176.2	0.7	110.2	K245	K245-R249 WeakPolarHBondContact CE-O 3.37Å; K245-R249 PolarHBondContact NZ-O 2.92Å
250	K	94.6	Very high	96.8	Very high	72 Å²	72	41.2 Å²	41.2	31%	0.313	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-75.1	148.7	173.9	-63.8	173.8	179.3	-177.5	0	110.8	R248 E321	R248-K250 PolarHBondContact O-N 3.18Å; K250-E321 WeakPolarHBondContact CE-OE1 3.25Å; K250-E321 IonicContact NZ-OE1 2.73Å; K250-E321 PolarHBondContact NZ-OE1 3.09Å
251	D	90.8	Very high	96.7	Very high	131 Å²	131	40.9 Å²	40.9	70%	0.701	21%	0.207	S	C	*	.	S	Bend	trans	-91.1	-21.2	-179	-56.4	-54.3	0	0	0	112	K245	K245-D251 IonicContact NZ-OD1 3.81Å; K245-D251 IonicContact NZ-OD2 3.73Å; K245-D251 PolarHBondContact NZ-OD2 2.97Å
252	S	96	Very high	96.6	Very high	8 Å²	8	41.9 Å²	41.9	6%	0.056	22%	0.216	C	C	.	.			trans	-124.1	152.3	172.9	-178	0	0	0	0	110.8	E254 N323 D325	S252-E254 VanDerWaalsContact C-N 3.29Å; S252-E254 PolarHBondContact OG-N 3.03Å; S252-E254 VanDerWaalsContact OG-N 3.11Å; S252-N323 PolarHBondContact N-OD1 3.06Å; S252-N323 PolarHBondContact O-ND2 3.49Å; S252-N323 PolarHBondContact O-OD1 3.38Å; S252-D325 WeakPolarHBondContact CB-OD1 3.35Å; S252-D325 PolarHBondContact OG-N 2.89Å; S252-D325 PolarHBondContact OG-OD1 3.11Å
253	E	94	Very high	96.5	Very high	174 Å²	174	43.8 Å²	43.8	81%	0.813	24%	0.237	S	C	*	.	S	Bend	trans	-81.3	-12.1	170.6	-60.7	-60.1	146.8	0	0	112
254	E	97	Very high	96.2	Very high	11 Å²	11	48.3 Å²	48.3	5%	0.051	26%	0.262	C	S	.	.			trans	-86.4	123.4	178.8	-176.5	174.4	169	0	0	111	S252 N323 G324 G326 A327 V328 K350	S252-E254 VanDerWaalsContact C-N 3.29Å; S252-E254 PolarHBondContact OG-N 3.03Å; S252-E254 VanDerWaalsContact OG-N 3.11Å; E254-N323 WeakPolarHBondContact O-CA 3.25Å; E254-N323 PolarHBondContact O-ND2 3.32Å; E254-G324 PolarHBondContact O-N 2.9Å; E254-G324 VanDerWaalsContact O-N 3.13Å; E254-G326 VanDerWaalsContact CD-N 3.32Å; E254-G326 WeakPolarHBondContact OE1-CA 3.32Å; E254-G326 PolarHBondContact OE2-N 3.1Å; E254-A327 HydrophobicContact CG-CB 4.38Å; E254-A327 PolarHBondContact OE1-N 2.88Å; E254-V328 HydrophobicContact CG-CG2 4.42Å; E254-V328 PolarHBondContact OE1-N 3.49Å; E254-V328 VanDerWaalsContact OE1-N 3.07Å; E254-K350 HydrophobicContact CG-CD 4.28Å; E254-K350 HydrophobicContact CG-CG 4.09Å; E254-K350 WeakPolarHBondContact OE2-CD 3.19Å; E254-K350 VanDerWaalsContact OE2-CE 3.25Å; E254-K350 WeakPolarHBondContact OE2-CE 3.03Å; E254-K350 IonicContact OE2-NZ 3.48Å; E254-K350 PolarHBondContact OE2-NZ 2.98Å
255	S	97.4	Very high	96.1	Very high	4 Å²	4	55.7 Å²	55.7	3%	0.028	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	154.5	174.8	-53.6	0	0	0	0	109.7	L322 N323 S353	S255-L322 CarbonylContact C-O 3.55Å; S255-L322 VanDerWaalsContact CA-O 3.24Å; S255-L322 WeakPolarHBondContact CA-O 3.33Å; S255-N323 PolarHBondContact OG-ND2 2.86Å; S255-S353 WeakPolarHBondContact O-CB 3.46Å; S255-S353 PolarHBondContact O-OG 3.04Å
256	C	98.3	Very high	96	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	129	177.6	-175.5	0	0	0	0	109	L322 A327 V328 C331	C256-L322 PolarHBondContact N-O 3.4Å; C256-L322 PolarHBondContact O-N 3.21Å; C256-A327 HydrophobicContact CB-CB 4.18Å; C256-V328 HydrophobicContact CB-CG2 4.03Å; C256-C331 HydrophobicContact CB-CB 4.38Å; C256-C331 WeakPolarHBondContact SG-CB 3.48Å; C256-C331 VanDerWaalsContact SG-SG 3.67Å
257	L	98.4	Very high	96	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	126.3	169.4	179	62.7	0	0	0	109	V259 A319 F345 V346 S347 D356 V357 F360 F361	L257-V259 HydrophobicContact CD1-CG2 3.86Å; L257-V259 HydrophobicContact CD2-CG2 4.06Å; L257-V259 HydrophobicContact CG-CG2 3.77Å; L257-A319 HydrophobicContact CD1-CB 4.01Å; L257-F345 HydrophobicContact CB-CE1 4.38Å; L257-F345 HydrophobicContact CD2-CD1 4.25Å; L257-F345 HydrophobicContact CD2-CE1 3.79Å; L257-F345 HydrophobicContact CG-CD1 4.36Å; L257-F345 HydrophobicContact CG-CE1 4.12Å; L257-V346 CarbonylContact O-C 3.4Å; L257-V346 WeakPolarHBondContact O-CA 3.21Å; L257-S347 PolarHBondContact N-OG 3.16Å; L257-S347 VanDerWaalsContact N-OG 3.16Å; L257-S347 PolarHBondContact O-N 3.19Å; L257-D356 HydrophobicContact CB-CB 4.19Å; L257-D356 HydrophobicContact CD2-CB 4.06Å; L257-D356 WeakPolarHBondContact CD2-O 3.25Å; L257-V357 HydrophobicContact CB-CG2 3.87Å; L257-F360 HydrophobicContact CD1-CB 4.21Å; L257-F360 HydrophobicContact CD1-CD1 4.5Å; L257-F360 HydrophobicContact CD1-CG 4.16Å; L257-F360 HydrophobicContact CD2-CB 3.64Å; L257-F360 HydrophobicContact CD2-CD2 4.16Å; L257-F360 HydrophobicContact CD2-CG 4.08Å; L257-F361 HydrophobicContact CD1-CE2 4.06Å
258	F	98.4	Very high	96.2	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	122.6	173.1	-155.7	-63.1	0	0	0	109.2	F260 L273 A319 L320 C331 A335 F339 I344 F345 V346	F258-F260 HydrophobicContact CD1-CD2 4.29Å; F258-F260 AromaticContact CD1-CE2 3.88Å; F258-F260 HydrophobicContact CD1-CE2 3.88Å; F258-F260 HydrophobicContact CD1-CZ 4.12Å; F258-F260 HydrophobicContact CE1-CD2 4.37Å; F258-F260 AromaticContact CE1-CE1 3.92Å; F258-F260 HydrophobicContact CE1-CE1 3.92Å; F258-F260 AromaticContact CE1-CE2 3.76Å; F258-F260 HydrophobicContact CE1-CE2 3.76Å; F258-F260 AromaticContact CE1-CZ 3.51Å; F258-F260 HydrophobicContact CE1-CZ 3.51Å; F258-F260 HydrophobicContact CZ-CZ 4.27Å; F258-L273 HydrophobicContact CB-CD2 3.77Å; F258-L273 HydrophobicContact CD1-CD2 3.42Å; F258-L273 VanDerWaalsContact CD1-CD2 3.42Å; F258-L273 HydrophobicContact CD2-CD1 3.85Å; F258-L273 HydrophobicContact CD2-CD2 3.73Å; F258-L273 HydrophobicContact CD2-CG 4.47Å; F258-L273 HydrophobicContact CE1-CD2 3.84Å; F258-L273 HydrophobicContact CE2-CD1 3.7Å; F258-L273 HydrophobicContact CE2-CD2 4.12Å; F258-L273 HydrophobicContact CG-CD1 4.36Å; F258-L273 HydrophobicContact CG-CD2 3.36Å; F258-L273 HydrophobicContact CZ-CD1 4.08Å; F258-L273 HydrophobicContact CZ-CD2 4.16Å; F258-A319 CarbonylContact O-C 3.55Å; F258-A319 WeakPolarHBondContact O-CA 3.21Å; F258-L320 PolarHBondContact N-O 3.32Å; F258-L320 PolarHBondContact O-N 2.84Å; F258-C331 HydrophobicContact CD2-CB 4Å; F258-C331 HydrophobicContact CE2-CB 4.39Å; F258-A335 HydrophobicContact CE2-CB 4.05Å; F258-A335 HydrophobicContact CZ-CB 4.07Å; F258-F339 HydrophobicContact CZ-CD2 4.06Å; F258-F339 HydrophobicContact CZ-CE2 4.42Å; F258-I344 HydrophobicContact CE1-CB 4.02Å; F258-I344 HydrophobicContact CE1-CD1 3.75Å; F258-I344 HydrophobicContact CE1-CG1 4.45Å; F258-I344 HydrophobicContact CE1-CG2 4Å; F258-I344 HydrophobicContact CE2-CD1 4.36Å; F258-I344 HydrophobicContact CZ-CD1 3.41Å; F258-I344 VanDerWaalsContact CZ-CD1 3.41Å; F258-F345 CarbonylContact C-O 3.58Å; F258-F345 WeakPolarHBondContact CA-O 3.43Å; F258-V346 HydrophobicContact CD2-CB 4.32Å; F258-V346 HydrophobicContact CD2-CG2 3.98Å; F258-V346 HydrophobicContact CE2-CB 4.5Å; F258-V346 HydrophobicContact CE2-CG2 4.33Å
259	V	98.3	Very high	96.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	124.6	-175.7	-172.8	0	0	0	0	110.8	L257 F301 V317 T318 A319 I344 F345 F360	L257-V259 HydrophobicContact CD1-CG2 3.86Å; L257-V259 HydrophobicContact CD2-CG2 4.06Å; L257-V259 HydrophobicContact CG-CG2 3.77Å; V259-F301 HydrophobicContact CG1-CZ 4.4Å; V259-F301 HydrophobicContact CG2-CE1 4.09Å; V259-F301 HydrophobicContact CG2-CZ 4.34Å; V259-V317 HydrophobicContact CG1-CB 3.72Å; V259-V317 HydrophobicContact CG1-CG1 4.47Å; V259-V317 HydrophobicContact CG1-CG2 3.94Å; V259-T318 WeakPolarHBondContact CA-O 3.32Å; V259-A319 HydrophobicContact CG2-CB 3.97Å; V259-I344 WeakPolarHBondContact O-CA 3.29Å; V259-F345 HydrophobicContact CB-CB 4.16Å; V259-F345 HydrophobicContact CB-CD1 4.49Å; V259-F345 HydrophobicContact CG2-CD1 4.06Å; V259-F345 PolarHBondContact N-O 3.17Å; V259-F345 PolarHBondContact O-N 3.42Å; V259-F360 HydrophobicContact CG1-CE2 4.42Å; V259-F360 HydrophobicContact CG2-CD2 4.24Å; V259-F360 HydrophobicContact CG2-CE2 4.19Å
260	F	98.2	Very high	96.4	Very high	1 Å²	1	46.7 Å²	46.7	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	141.5	165.6	-67.5	-81.3	0	0	0	110.5	F258 T266 N269 A270 L273 V317 T318 L320 F339 T342 I344	F258-F260 HydrophobicContact CD1-CD2 4.29Å; F258-F260 AromaticContact CD1-CE2 3.88Å; F258-F260 HydrophobicContact CD1-CE2 3.88Å; F258-F260 HydrophobicContact CD1-CZ 4.12Å; F258-F260 HydrophobicContact CE1-CD2 4.37Å; F258-F260 AromaticContact CE1-CE1 3.92Å; F258-F260 HydrophobicContact CE1-CE1 3.92Å; F258-F260 AromaticContact CE1-CE2 3.76Å; F258-F260 HydrophobicContact CE1-CE2 3.76Å; F258-F260 AromaticContact CE1-CZ 3.51Å; F258-F260 HydrophobicContact CE1-CZ 3.51Å; F258-F260 HydrophobicContact CZ-CZ 4.27Å; F260-T266 HydrophobicContact CB-CG2 3.76Å; F260-N269 HydrophobicContact CD1-CB 4.06Å; F260-N269 HydrophobicContact CE1-CB 3.63Å; F260-N269 HydrophobicContact CZ-CB 3.93Å; F260-A270 HydrophobicContact CD2-CB 4.14Å; F260-A270 HydrophobicContact CE2-CB 4.22Å; F260-L273 HydrophobicContact CE2-CB 4.03Å; F260-L273 HydrophobicContact CE2-CD2 3.64Å; F260-L273 HydrophobicContact CE2-CG 4.49Å; F260-L273 HydrophobicContact CZ-CB 4.09Å; F260-L273 HydrophobicContact CZ-CD2 4.16Å; F260-V317 CarbonylContact O-C 3.59Å; F260-V317 WeakPolarHBondContact O-CA 3.37Å; F260-T318 PolarHBondContact N-O 3.35Å; F260-T318 PolarHBondContact O-N 3.07Å; F260-L320 HydrophobicContact CD2-CD1 3.9Å; F260-L320 HydrophobicContact CE2-CD1 4.09Å; F260-F339 HydrophobicContact CE1-CD1 4.16Å; F260-F339 HydrophobicContact CE1-CD2 4.49Å; F260-F339 HydrophobicContact CE1-CE1 4.21Å; F260-F339 HydrophobicContact CE1-CG 4.31Å; F260-F339 HydrophobicContact CE1-CZ 4.39Å; F260-F339 HydrophobicContact CZ-CD1 4.48Å; F260-F339 HydrophobicContact CZ-CD2 4.32Å; F260-F339 HydrophobicContact CZ-CE1 4.17Å; F260-F339 AromaticContact CZ-CE2 3.99Å; F260-F339 HydrophobicContact CZ-CE2 3.99Å; F260-F339 AromaticContact CZ-CZ 3.91Å; F260-F339 HydrophobicContact CZ-CZ 3.91Å; F260-T342 HydrophobicContact CD1-CG2 4.46Å; F260-I344 HydrophobicContact CD1-CG2 3.47Å; F260-I344 VanDerWaalsContact CD1-CG2 3.47Å; F260-I344 HydrophobicContact CE1-CG2 3.6Å; F260-I344 HydrophobicContact CG-CG2 4.36Å
261	F	97	Very high	96.5	Very high	8 Å²	8	46.9 Å²	46.9	4%	0.035	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-90.4	160.4	170.9	-57.2	-81.6	0	0	0	110.5	G263 T266 L308 W311 I312 V317 K343 F345	F261-G263 PolarHBondContact O-N 2.94Å; F261-T266 PolarHBondContact O-OG1 3.19Å; F261-L308 HydrophobicContact CE1-CB 4.26Å; F261-L308 HydrophobicContact CE1-CD2 4.3Å; F261-L308 HydrophobicContact CE2-CD2 3.71Å; F261-L308 HydrophobicContact CZ-CB 4.12Å; F261-L308 HydrophobicContact CZ-CD1 4Å; F261-L308 HydrophobicContact CZ-CD2 3.38Å; F261-L308 HydrophobicContact CZ-CG 3.99Å; F261-W311 HydrophobicContact CB-CB 3.91Å; F261-W311 HydrophobicContact CB-CE3 4.39Å; F261-W311 HydrophobicContact CD1-CB 3.62Å; F261-W311 HydrophobicContact CD2-CB 4.04Å; F261-W311 HydrophobicContact CD2-CG 4.49Å; F261-W311 HydrophobicContact CE1-CB 4.19Å; F261-W311 HydrophobicContact CG-CB 3.56Å; F261-W311 HydrophobicContact CG-CG 4.41Å; F261-I312 HydrophobicContact CD1-CG1 4.01Å; F261-I312 HydrophobicContact CE1-CD1 4.36Å; F261-I312 HydrophobicContact CE1-CG1 3.73Å; F261-V317 HydrophobicContact CD1-CG1 3.66Å; F261-V317 HydrophobicContact CE1-CG1 4.09Å; F261-K343 HydrophobicContact CD2-CG 4.07Å; F261-K343 WeakPolarHBondContact CD2-O 3.38Å; F261-K343 HydrophobicContact CE2-CG 4.11Å; F261-F345 HydrophobicContact CE2-CB 4.45Å; F261-F345 HydrophobicContact CZ-CB 4.24Å
262	A	96.6	Very high	96.9	Very high	24 Å²	24	45.1 Å²	45.1	20%	0.198	24%	0.24	C	C	.	.	S	Bend	trans	-57.6	133.6	-178.8	0	0	0	0	0	112.5	K314	A262-K314 HydrophobicContact CB-CB 4.14Å
263	G	94.7	Very high	97	Very high	48 Å²	48	44.7 Å²	44.7	50%	0.495	24%	0.237	S	C	.	.	S	Bend	trans	-178.4	168.9	177.3	0	0	0	0	0	111.4	F261 Y265 T266	F261-G263 PolarHBondContact O-N 2.94Å; G263-Y265 PolarHBondContact O-N 3.3Å; G263-Y265 VanDerWaalsContact O-N 3.12Å; G263-T266 PolarHBondContact N-OG1 3.42Å; G263-T266 PolarHBondContact O-N 2.99Å; G263-T266 PolarHBondContact O-OG1 3.31Å; G263-T266 VanDerWaalsContact O-OG1 3.07Å
264	D	92.9	Very high	97.2	Very high	161 Å²	161	37.4 Å²	37.4	86%	0.861	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-27.7	-171.8	-62.1	-26.7	0	0	0	113.7
265	Y	94.9	Very high	97.2	Very high	166 Å²	166	42.1 Å²	42.1	65%	0.651	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.9	5.4	-176.2	-56.1	-74.4	0	0	0	113.7	G263 T267 A268 N269	G263-Y265 PolarHBondContact O-N 3.3Å; G263-Y265 VanDerWaalsContact O-N 3.12Å; Y265-T267 PolarHBondContact O-N 2.77Å; Y265-A268 PolarHBondContact O-N 3.12Å; Y265-A268 VanDerWaalsContact O-N 3.09Å; Y265-N269 WeakPolarHBondContact O-CB 3.06Å; Y265-N269 VanDerWaalsContact O-CG 3.32Å; Y265-N269 PolarHBondContact O-N 2.88Å
266	T	96.4	Very high	97.3	Very high	15 Å²	15	44.9 Å²	44.9	9%	0.092	24%	0.242	C	C	.	.	H	α-helix	trans	-55.6	-47.3	-172.8	-62.4	0	0	0	0	112.5	F260 F261 G263 A268 N269 A270	F260-T266 HydrophobicContact CB-CG2 3.76Å; F261-T266 PolarHBondContact O-OG1 3.19Å; G263-T266 PolarHBondContact N-OG1 3.42Å; G263-T266 PolarHBondContact O-N 2.99Å; G263-T266 PolarHBondContact O-OG1 3.31Å; G263-T266 VanDerWaalsContact O-OG1 3.07Å; T266-A268 PolarHBondContact O-N 3.44Å; T266-N269 PolarHBondContact O-N 3.06Å; T266-A270 WeakPolarHBondContact O-CB 3.29Å; T266-A270 PolarHBondContact O-N 2.67Å
267	T	96.5	Very high	97.2	Very high	70 Å²	70	44.9 Å²	44.9	43%	0.429	24%	0.242	S	C	.	.	H	α-helix	trans	-63.3	-40.5	178	-56.6	0	0	0	0	112.6	I185 F186 Y265 R271	I185-T267 HydrophobicContact CD1-CG2 4.16Å; F186-T267 HydrophobicContact CE2-CG2 4.07Å; F186-T267 HydrophobicContact CZ-CG2 4.1Å; Y265-T267 PolarHBondContact O-N 2.77Å; T267-R271 WeakPolarHBondContact O-CG 3.2Å; T267-R271 PolarHBondContact O-N 3.2Å; T267-R271 VanDerWaalsContact O-N 3.11Å
268	A	97.1	Very high	97.1	Very high	57 Å²	57	48.9 Å²	48.9	47%	0.471	27%	0.266	S	S	.	.	H	α-helix	trans	-69	-40.8	178.5	0	0	0	0	0	111.4	Y265 T266 R271 K272	Y265-A268 PolarHBondContact O-N 3.12Å; Y265-A268 VanDerWaalsContact O-N 3.09Å; T266-A268 PolarHBondContact O-N 3.44Å; A268-R271 PolarHBondContact O-N 3.49Å; A268-K272 WeakPolarHBondContact O-CB 3.36Å; A268-K272 PolarHBondContact O-N 3.01Å
269	N	98.1	Very high	97.1	Very high	31 Å²	31	53.1 Å²	53.1	17%	0.166	30%	0.296	C	S	.	.	H	α-helix	trans	-65.5	-41.4	176.4	-72	-13.5	0	0	0	111.9	F260 Y265 T266 K272 L273 F339	F260-N269 HydrophobicContact CD1-CB 4.06Å; F260-N269 HydrophobicContact CE1-CB 3.63Å; F260-N269 HydrophobicContact CZ-CB 3.93Å; Y265-N269 WeakPolarHBondContact O-CB 3.06Å; Y265-N269 VanDerWaalsContact O-CG 3.32Å; Y265-N269 PolarHBondContact O-N 2.88Å; T266-N269 PolarHBondContact O-N 3.06Å; N269-K272 PolarHBondContact O-N 2.66Å; N269-L273 WeakPolarHBondContact O-CB 3.14Å; N269-L273 PolarHBondContact O-N 3.02Å; N269-F339 HydrophobicContact CB-CD1 4.37Å; N269-F339 HydrophobicContact CB-CE1 3.77Å; N269-F339 HydrophobicContact CB-CZ 4.48Å; N269-F339 WeakPolarHBondContact O-CZ 3.32Å
270	A	98.3	Very high	97	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-61.6	-43.6	175	0	0	0	0	0	111.6	F186 F260 T266 L273 I274 T318 L320	F186-A270 HydrophobicContact CE1-CB 3.84Å; F186-A270 HydrophobicContact CZ-CB 3.66Å; F260-A270 HydrophobicContact CD2-CB 4.14Å; F260-A270 HydrophobicContact CE2-CB 4.22Å; T266-A270 WeakPolarHBondContact O-CB 3.29Å; T266-A270 PolarHBondContact O-N 2.67Å; A270-L273 PolarHBondContact O-N 3.01Å; A270-I274 WeakPolarHBondContact O-CD1 3.33Å; A270-I274 VanDerWaalsContact O-CG1 3.26Å; A270-I274 WeakPolarHBondContact O-CG1 3.19Å; A270-I274 PolarHBondContact O-N 3.43Å; A270-I274 VanDerWaalsContact O-N 3.07Å; A270-T318 HydrophobicContact CB-CG2 4.28Å; A270-L320 HydrophobicContact CB-CD1 4.29Å
271	R	97.8	Very high	96.9	Very high	76 Å²	76	60.3 Å²	60.3	29%	0.287	34%	0.344	S	S	.	.	H	α-helix	trans	-61.3	-47.1	173	-73.8	-175.6	-178.5	-84.2	-1.8	112.2	I185 S239 I240 T267 A268 L273 I274 D275	I185-R271 VanDerWaalsContact CD1-NH2 3.29Å; S239-R271 PolarHBondContact O-NH1 2.93Å; I240-R271 PolarHBondContact O-NH2 2.93Å; T267-R271 WeakPolarHBondContact O-CG 3.2Å; T267-R271 PolarHBondContact O-N 3.2Å; T267-R271 VanDerWaalsContact O-N 3.11Å; A268-R271 PolarHBondContact O-N 3.49Å; R271-L273 VanDerWaalsContact C-N 3.29Å; R271-L273 PolarHBondContact O-N 3.22Å; R271-I274 WeakPolarHBondContact O-CB 3.32Å; R271-I274 PolarHBondContact O-N 3.06Å; R271-D275 PolarHBondContact O-N 3.05Å
272	K	98	Very high	97	Very high	93 Å²	93	60.9 Å²	60.9	40%	0.404	35%	0.347	S	S	.	.	H	α-helix	trans	-58.8	-41.7	177.2	-171.9	177	-174.1	-174.5	0	111.8	A268 N269 I274 D275 E276 V338 F339	A268-K272 WeakPolarHBondContact O-CB 3.36Å; A268-K272 PolarHBondContact O-N 3.01Å; N269-K272 PolarHBondContact O-N 2.66Å; K272-I274 VanDerWaalsContact C-N 3.32Å; K272-I274 PolarHBondContact O-N 2.91Å; K272-D275 PolarHBondContact O-N 2.74Å; K272-E276 HydrophobicContact CG-CG 4.35Å; K272-E276 WeakPolarHBondContact O-CB 3.13Å; K272-E276 VanDerWaalsContact O-CG 3.25Å; K272-E276 WeakPolarHBondContact O-CG 3.27Å; K272-E276 PolarHBondContact O-N 3.33Å; K272-V338 HydrophobicContact CD-CG1 3.72Å; K272-V338 HydrophobicContact CG-CG1 4.31Å; K272-F339 HydrophobicContact CB-CZ 4.23Å; K272-F339 HydrophobicContact CD-CE1 4.37Å; K272-F339 HydrophobicContact CD-CZ 4.44Å; K272-F339 HydrophobicContact CG-CZ 4.35Å
273	L	98.6	Very high	97	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-59.6	-43.7	174.7	172.8	66	0	0	0	111.4	F258 F260 N269 A270 R271 D275 E276 A277 L320 L322 I334 F339	F258-L273 HydrophobicContact CB-CD2 3.77Å; F258-L273 HydrophobicContact CD1-CD2 3.42Å; F258-L273 VanDerWaalsContact CD1-CD2 3.42Å; F258-L273 HydrophobicContact CD2-CD1 3.85Å; F258-L273 HydrophobicContact CD2-CD2 3.73Å; F258-L273 HydrophobicContact CD2-CG 4.47Å; F258-L273 HydrophobicContact CE1-CD2 3.84Å; F258-L273 HydrophobicContact CE2-CD1 3.7Å; F258-L273 HydrophobicContact CE2-CD2 4.12Å; F258-L273 HydrophobicContact CG-CD1 4.36Å; F258-L273 HydrophobicContact CG-CD2 3.36Å; F258-L273 HydrophobicContact CZ-CD1 4.08Å; F258-L273 HydrophobicContact CZ-CD2 4.16Å; F260-L273 HydrophobicContact CE2-CB 4.03Å; F260-L273 HydrophobicContact CE2-CD2 3.64Å; F260-L273 HydrophobicContact CE2-CG 4.49Å; F260-L273 HydrophobicContact CZ-CB 4.09Å; F260-L273 HydrophobicContact CZ-CD2 4.16Å; N269-L273 WeakPolarHBondContact O-CB 3.14Å; N269-L273 PolarHBondContact O-N 3.02Å; A270-L273 PolarHBondContact O-N 3.01Å; R271-L273 VanDerWaalsContact C-N 3.29Å; R271-L273 PolarHBondContact O-N 3.22Å; L273-D275 VanDerWaalsContact C-N 3.33Å; L273-D275 PolarHBondContact O-N 2.96Å; L273-E276 PolarHBondContact O-N 3.48Å; L273-A277 WeakPolarHBondContact O-CB 3.34Å; L273-A277 PolarHBondContact O-N 2.83Å; L273-L320 HydrophobicContact CD2-CD1 4.08Å; L273-L320 HydrophobicContact CD2-CD2 4.17Å; L273-L320 HydrophobicContact CD2-CG 4.49Å; L273-L322 HydrophobicContact CD1-CD1 4.24Å; L273-L322 HydrophobicContact CD2-CD1 4.39Å; L273-L322 HydrophobicContact CG-CD1 4.31Å; L273-I334 HydrophobicContact CD1-CB 4.44Å; L273-I334 HydrophobicContact CD1-CD1 4.28Å; L273-I334 HydrophobicContact CD1-CG2 3.74Å; L273-F339 HydrophobicContact CB-CE2 4.03Å; L273-F339 HydrophobicContact CB-CZ 4.11Å; L273-F339 HydrophobicContact CD1-CE2 4.28Å
274	I	98.3	Very high	97.2	Very high	21 Å²	21	60.2 Å²	60.2	11%	0.108	33%	0.33	C	S	.	.	H	α-helix	trans	-60.9	-44.9	178.3	-65.8	159.3	0	0	0	110.3	P242 A270 R271 K272 A277 T278 L284 L320	P242-I274 HydrophobicContact CB-CD1 3.85Å; P242-I274 HydrophobicContact CG-CD1 3.95Å; A270-I274 WeakPolarHBondContact O-CD1 3.33Å; A270-I274 VanDerWaalsContact O-CG1 3.26Å; A270-I274 WeakPolarHBondContact O-CG1 3.19Å; A270-I274 PolarHBondContact O-N 3.43Å; A270-I274 VanDerWaalsContact O-N 3.07Å; R271-I274 WeakPolarHBondContact O-CB 3.32Å; R271-I274 PolarHBondContact O-N 3.06Å; K272-I274 VanDerWaalsContact C-N 3.32Å; K272-I274 PolarHBondContact O-N 2.91Å; I274-A277 PolarHBondContact O-N 2.89Å; I274-T278 VanDerWaalsContact O-CB 3.27Å; I274-T278 WeakPolarHBondContact O-CB 3.42Å; I274-T278 PolarHBondContact O-N 2.95Å; I274-T278 PolarHBondContact O-OG1 2.9Å; I274-L284 HydrophobicContact CD1-CD2 3.86Å; I274-L284 HydrophobicContact CG1-CD1 4.36Å; I274-L284 HydrophobicContact CG1-CD2 3.95Å; I274-L284 HydrophobicContact CG2-CD2 4.27Å; I274-L320 HydrophobicContact CD1-CD2 3.73Å; I274-L320 HydrophobicContact CG1-CD2 3.49Å; I274-L320 VanDerWaalsContact CG1-CD2 3.49Å
275	D	97.6	Very high	97.5	Very high	109 Å²	109	52.8 Å²	52.8	58%	0.583	29%	0.29	S	S	*	.	H	α-helix	trans	-62.8	-48.3	178.6	-61.9	-25.8	0	0	0	111.4	R271 K272 L273 T278 S279	R271-D275 PolarHBondContact O-N 3.05Å; K272-D275 PolarHBondContact O-N 2.74Å; L273-D275 VanDerWaalsContact C-N 3.33Å; L273-D275 PolarHBondContact O-N 2.96Å; D275-T278 PolarHBondContact O-N 3.08Å; D275-S279 WeakPolarHBondContact O-CB 3.49Å; D275-S279 PolarHBondContact O-N 3.3Å
276	E	98.3	Very high	97.6	Very high	62 Å²	62	47.2 Å²	47.2	29%	0.29	27%	0.271	S	S	.	.	H	α-helix	trans	-61.9	-44.9	177.7	-68.3	-67.3	162.9	0	0	111.7	K272 L273 S279 K280 I334 V338	K272-E276 HydrophobicContact CG-CG 4.35Å; K272-E276 WeakPolarHBondContact O-CB 3.13Å; K272-E276 VanDerWaalsContact O-CG 3.25Å; K272-E276 WeakPolarHBondContact O-CG 3.27Å; K272-E276 PolarHBondContact O-N 3.33Å; L273-E276 PolarHBondContact O-N 3.48Å; E276-S279 PolarHBondContact O-N 2.83Å; E276-S279 PolarHBondContact O-OG 3.15Å; E276-K280 PolarHBondContact O-N 2.77Å; E276-I334 HydrophobicContact CB-CD1 4.02Å; E276-I334 HydrophobicContact CB-CG1 4.25Å; E276-I334 HydrophobicContact CB-CG2 4.18Å; E276-V338 HydrophobicContact CG-CG2 4.37Å
277	A	97.6	Very high	97.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.6	-43.6	179.2	0	0	0	0	0	111.5	L273 I274 S279 K280 G281 F282 L322 I334	L273-A277 WeakPolarHBondContact O-CB 3.34Å; L273-A277 PolarHBondContact O-N 2.83Å; I274-A277 PolarHBondContact O-N 2.89Å; A277-S279 VanDerWaalsContact C-N 3.33Å; A277-S279 PolarHBondContact O-N 2.95Å; A277-K280 CarbonylContact O-C 3.54Å; A277-K280 PolarHBondContact O-N 3.39Å; A277-K280 VanDerWaalsContact O-N 3.16Å; A277-G281 PolarHBondContact O-N 3Å; A277-F282 HydrophobicContact CB-CB 4.18Å; A277-F282 HydrophobicContact CB-CD2 4.22Å; A277-F282 WeakPolarHBondContact O-CB 3.4Å; A277-F282 PolarHBondContact O-N 2.83Å; A277-L322 HydrophobicContact CB-CD1 3.8Å; A277-L322 HydrophobicContact CB-CD2 3.75Å; A277-L322 HydrophobicContact CB-CG 4.42Å; A277-I334 HydrophobicContact CB-CD1 4.37Å
278	T	96.4	Very high	97.8	Very high	84 Å²	84	43.4 Å²	43.4	52%	0.515	25%	0.247	S	C	.	.	H	α-helix	trans	-62.4	-41.4	176.1	-56.2	0	0	0	0	111.1	I274 D275 K280 G281	I274-T278 VanDerWaalsContact O-CB 3.27Å; I274-T278 WeakPolarHBondContact O-CB 3.42Å; I274-T278 PolarHBondContact O-N 2.95Å; I274-T278 PolarHBondContact O-OG1 2.9Å; D275-T278 PolarHBondContact O-N 3.08Å; T278-K280 PolarHBondContact O-N 2.89Å; T278-G281 PolarHBondContact O-N 2.88Å
279	S	96.8	Very high	97.9	Very high	89 Å²	89	43.6 Å²	43.6	62%	0.622	24%	0.238	S	C	*	.	H	α-helix	trans	-62.6	-27.3	177.3	82.1	0	0	0	0	113.3	D275 E276 A277 G281	D275-S279 WeakPolarHBondContact O-CB 3.49Å; D275-S279 PolarHBondContact O-N 3.3Å; E276-S279 PolarHBondContact O-N 2.83Å; E276-S279 PolarHBondContact O-OG 3.15Å; A277-S279 VanDerWaalsContact C-N 3.33Å; A277-S279 PolarHBondContact O-N 2.95Å; S279-G281 VanDerWaalsContact C-N 3.35Å
280	K	96.6	Very high	97.8	Very high	92 Å²	92	42.5 Å²	42.5	40%	0.4	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	2.8	175.2	-66.3	-179.9	-168.6	-93.6	0	113.1	E276 A277 T278 F282 I334	E276-K280 PolarHBondContact O-N 2.77Å; A277-K280 CarbonylContact O-C 3.54Å; A277-K280 PolarHBondContact O-N 3.39Å; A277-K280 VanDerWaalsContact O-N 3.16Å; T278-K280 PolarHBondContact O-N 2.89Å; K280-F282 HydrophobicContact CB-CD2 4Å; K280-F282 HydrophobicContact CB-CE2 3.79Å; K280-F282 HydrophobicContact CB-CZ 4.44Å; K280-F282 HydrophobicContact CD-CE2 4.24Å; K280-I334 HydrophobicContact CD-CD1 4.03Å; K280-I334 HydrophobicContact CD-CG1 4.12Å
281	G	97.1	Very high	97.7	Very high	60 Å²	60	45.4 Å²	45.4	62%	0.619	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	11.2	177.3	0	0	0	0	0	115	A277 T278 S279	A277-G281 PolarHBondContact O-N 3Å; T278-G281 PolarHBondContact O-N 2.88Å; S279-G281 VanDerWaalsContact C-N 3.35Å
282	F	98	Very high	97.5	Very high	20 Å²	20	42.3 Å²	42.3	9%	0.088	24%	0.242	C	C	.	.			trans	-82.7	150	173	-53	-49.2	0	0	0	111.1	A277 K280 A327	A277-F282 HydrophobicContact CB-CB 4.18Å; A277-F282 HydrophobicContact CB-CD2 4.22Å; A277-F282 WeakPolarHBondContact O-CB 3.4Å; A277-F282 PolarHBondContact O-N 2.83Å; K280-F282 HydrophobicContact CB-CD2 4Å; K280-F282 HydrophobicContact CB-CE2 3.79Å; K280-F282 HydrophobicContact CB-CZ 4.44Å; K280-F282 HydrophobicContact CD-CE2 4.24Å; F282-A327 HydrophobicContact CD1-CB 4.03Å; F282-A327 VanDerWaalsContact CE1-CA 3.47Å; F282-A327 HydrophobicContact CE1-CB 4.15Å
283	V	97.6	Very high	97.2	Very high	51 Å²	51	43.8 Å²	43.8	31%	0.309	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	132.1	-177.9	-177.7	0	0	0	0	110.3	K245 V285 L322 N323	K245-V283 HydrophobicContact CB-CG1 3.91Å; K245-V283 HydrophobicContact CD-CG1 3.65Å; K245-V283 HydrophobicContact CG-CG1 4.41Å; V283-V285 PolarHBondContact O-N 3.14Å; V283-L322 CarbonylContact O-C 3.16Å; V283-L322 WeakPolarHBondContact O-CA 3.33Å; V283-N323 PolarHBondContact N-O 2.85Å; V283-N323 PolarHBondContact O-N 2.91Å
284	L	98.4	Very high	96.8	Very high	8 Å²	8	45.9 Å²	45.9	4%	0.042	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	112.7	171.7	-175.1	67.2	0	0	0	110.3	P242 T244 K245 I274 T287 L320 L322	P242-L284 HydrophobicContact CB-CD2 3.78Å; T244-L284 WeakPolarHBondContact CA-O 3.32Å; T244-L284 HydrophobicContact CG2-CD2 3.91Å; T244-L284 HydrophobicContact CG2-CG 4.16Å; K245-L284 PolarHBondContact N-O 2.83Å; I274-L284 HydrophobicContact CD1-CD2 3.86Å; I274-L284 HydrophobicContact CG1-CD1 4.36Å; I274-L284 HydrophobicContact CG1-CD2 3.95Å; I274-L284 HydrophobicContact CG2-CD2 4.27Å; L284-T287 HydrophobicContact CD1-CG2 3.88Å; L284-T287 HydrophobicContact CD2-CG2 4.01Å; L284-T287 HydrophobicContact CG-CG2 4.28Å; L284-L320 HydrophobicContact CD1-CB 4.04Å; L284-L320 HydrophobicContact CD1-CD2 4.02Å; L284-L320 HydrophobicContact CD1-CG 4.48Å; L284-L322 HydrophobicContact CB-CD2 4.4Å; L284-L322 HydrophobicContact CD1-CD2 4Å
285	V	98.4	Very high	96.4	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.024	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-52.6	-178.9	-178.9	0	0	0	0	110.9	T244 K245 G246 V283 E321 N323	T244-V285 WeakPolarHBondContact CB-O 3.35Å; K245-V285 PolarHBondContact N-O 3.43Å; G246-V285 WeakPolarHBondContact CA-O 3.48Å; G246-V285 PolarHBondContact N-O 2.78Å; V283-V285 PolarHBondContact O-N 3.14Å; V285-E321 HydrophobicContact CB-CB 4.11Å; V285-E321 HydrophobicContact CB-CG 3.93Å; V285-E321 HydrophobicContact CG2-CG 4.18Å; V285-E321 PolarHBondContact N-O 3.12Å; V285-N323 HydrophobicContact CG2-CB 3.41Å; V285-N323 VanDerWaalsContact CG2-CB 3.41Å
286	Q	98.5	Very high	96.1	Very high	50 Å²	50	46.9 Å²	46.9	23%	0.234	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	164.9	-178.6	52.2	176.1	-25.1	0	0	110.5	E321 F361	Q286-E321 HydrophobicContact CG-CB 3.92Å; Q286-E321 WeakPolarHBondContact CG-OE2 3.41Å; Q286-E321 PolarHBondContact NE2-OE2 3.24Å; Q286-E321 PolarHBondContact O-N 2.96Å; Q286-F361 HydrophobicContact CB-CE1 4.24Å; Q286-F361 VanDerWaalsContact CD-CD1 3.41Å; Q286-F361 VanDerWaalsContact CD-CE1 3.42Å; Q286-F361 HydrophobicContact CG-CD1 4.06Å; Q286-F361 HydrophobicContact CG-CE1 3.5Å; Q286-F361 HydrophobicContact CG-CE2 4.3Å; Q286-F361 HydrophobicContact CG-CZ 3.66Å; Q286-F361 VanDerWaalsContact OE1-CD1 3.31Å
287	T	98.7	Very high	95.7	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.018	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	157.6	175.5	58.2	0	0	0	0	109.7	F186 L284 A319 L320	F186-T287 WeakPolarHBondContact CA-OG1 3.48Å; F186-T287 HydrophobicContact CD1-CG2 4.26Å; F186-T287 CarbonylContact O-C 3.55Å; F186-T287 WeakPolarHBondContact O-CB 3.28Å; F186-T287 PolarHBondContact O-OG1 3.25Å; L284-T287 HydrophobicContact CD1-CG2 3.88Å; L284-T287 HydrophobicContact CD2-CG2 4.01Å; L284-T287 HydrophobicContact CG-CG2 4.28Å; T287-A319 CarbonylContact C-O 3.59Å; T287-A319 WeakPolarHBondContact CA-O 3.4Å; T287-A319 WeakPolarHBondContact CB-O 3.37Å; T287-L320 HydrophobicContact CG2-CB 4.42Å; T287-L320 HydrophobicContact CG2-CD2 4.2Å; T287-L320 HydrophobicContact CG2-CG 3.98Å
288	K	98.1	Very high	95.3	Very high	1 Å²	1	51 Å²	51	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	142.8	168.8	-72.8	-71	165.8	144.7	0	110.6	F186 N187 N189 T318 A319 F360 F361 A364 D365 M368	F186-K288 WeakPolarHBondContact O-CA 3.46Å; F186-K288 PolarHBondContact O-N 3.41Å; N187-K288 WeakPolarHBondContact OD1-CA 3.42Å; N189-K288 PolarHBondContact OD1-NZ 3.29Å; K288-T318 CarbonylContact O-C 3.59Å; K288-T318 WeakPolarHBondContact O-CA 3.28Å; K288-A319 PolarHBondContact N-O 2.96Å; K288-A319 PolarHBondContact O-N 3.19Å; K288-F360 HydrophobicContact CB-CE1 4.06Å; K288-F361 HydrophobicContact CB-CE1 4.18Å; K288-F361 HydrophobicContact CG-CD1 3.62Å; K288-F361 HydrophobicContact CG-CE1 3.54Å; K288-A364 HydrophobicContact CB-CB 4.3Å; K288-A364 HydrophobicContact CD-CB 4.3Å; K288-A364 HydrophobicContact CG-CB 3.98Å; K288-D365 IonicContact NZ-OD1 2.73Å; K288-D365 PolarHBondContact NZ-OD1 3.13Å; K288-M368 HydrophobicContact CD-SD 3.74Å
289	E	97.9	Very high	94.9	Very high	62 Å²	62	53 Å²	53	29%	0.29	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	114.2	165.3	-173.8	-174.8	147	0	0	109	S184 F186 N187 P316 V317	S184-E289 VanDerWaalsContact CB-OE2 3.3Å; S184-E289 WeakPolarHBondContact CB-OE2 3.28Å; S184-E289 WeakPolarHBondContact OG-CB 3.48Å; S184-E289 PolarHBondContact OG-OE2 3.06Å; F186-E289 HydrophobicContact CB-CB 4.13Å; N187-E289 PolarHBondContact ND2-O 2.81Å; N187-E289 PolarHBondContact OD1-N 3.42Å; N187-E289 PolarHBondContact OD1-O 2.96Å; E289-P316 HydrophobicContact CG-CB 3.73Å; E289-V317 VanDerWaalsContact CA-O 3.28Å; E289-V317 WeakPolarHBondContact CA-O 3.26Å
290	V	96.9	Very high	94.5	Very high	8 Å²	8	48.9 Å²	48.9	5%	0.048	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	140	-170.9	64.8	0	0	0	0	111.6	P316 V317 F360 F363 A364 Q367	V290-P316 WeakPolarHBondContact O-CA 3.14Å; V290-V317 HydrophobicContact CG1-CG2 4.31Å; V290-V317 PolarHBondContact N-O 3.48Å; V290-V317 PolarHBondContact O-N 3.38Å; V290-F360 HydrophobicContact CG1-CE1 4.07Å; V290-F360 HydrophobicContact CG1-CZ 3.67Å; V290-F363 HydrophobicContact CG1-CE1 3.88Å; V290-F363 HydrophobicContact CG2-CE1 4.18Å; V290-F363 HydrophobicContact CG2-CZ 4.31Å; V290-A364 HydrophobicContact CG1-CB 4.14Å; V290-Q367 HydrophobicContact CG2-CB 4.37Å; V290-Q367 VanDerWaalsContact CG2-CD 3.43Å; V290-Q367 HydrophobicContact CG2-CG 4.19Å
291	S	95.6	Very high	94.1	Very high	61 Å²	61	44.8 Å²	44.8	43%	0.427	23%	0.228	S	C	.	.			trans	-77.9	129.4	173.2	-59.5	0	0	0	0	110.3	Q367	S291-Q367 VanDerWaalsContact O-CD 3.28Å; S291-Q367 PolarHBondContact O-NE2 3.02Å; S291-Q367 PolarHBondContact O-OE1 2.94Å
292	M	93.6	Very high	93.6	Very high	11 Å²	11	45.1 Å²	45.1	5%	0.054	21%	0.213	C	C	.	.			trans	-108.1	145.3	176.9	-55.3	-173.3	72	0	0	110.8	D296 V300 F301 I312 V317 F360 F363	M292-D296 HydrophobicContact CB-CB 4.43Å; M292-D296 HydrophobicContact CE-CB 4.15Å; M292-V300 HydrophobicContact CE-CB 3.86Å; M292-V300 HydrophobicContact CE-CG1 4.25Å; M292-V300 HydrophobicContact CE-CG2 3.72Å; M292-F301 HydrophobicContact CE-CE2 3.84Å; M292-F301 HydrophobicContact CE-CZ 4.3Å; M292-F301 HydrophobicContact SD-CE2 3.66Å; M292-F301 HydrophobicContact SD-CZ 3.93Å; M292-I312 HydrophobicContact CB-CG2 3.64Å; M292-I312 WeakPolarHBondContact O-CG2 3.37Å; M292-V317 HydrophobicContact CG-CG2 3.93Å; M292-V317 HydrophobicContact SD-CG2 3.68Å; M292-F360 HydrophobicContact SD-CE2 3.85Å; M292-F363 HydrophobicContact CB-CE1 4.45Å; M292-F363 HydrophobicContact CB-CZ 4.16Å; M292-F363 HydrophobicContact CE-CD1 3.92Å; M292-F363 HydrophobicContact CE-CE1 3.64Å; M292-F363 HydrophobicContact CE-CZ 4.13Å; M292-F363 HydrophobicContact CG-CE1 3.54Å; M292-F363 HydrophobicContact CG-CZ 3.7Å; M292-F363 HydrophobicContact SD-CE1 4.07Å
293	K	92.2	Very high	92.9	Very high	123 Å²	123	52 Å²	52	54%	0.535	25%	0.25	S	S	.	.			trans	-88.8	161	163.3	-61.7	175.9	-178.8	174.4	0	110.1	E295 D296 A297	K293-E295 HydrophobicContact CB-CG 3.83Å; K293-E295 HydrophobicContact CD-CG 4.34Å; K293-E295 WeakPolarHBondContact CD-OE1 3.31Å; K293-E295 IonicContact NZ-OE1 2.75Å; K293-E295 PolarHBondContact O-N 2.92Å; K293-D296 WeakPolarHBondContact CB-OD2 3.25Å; K293-D296 PolarHBondContact N-OD2 3.44Å; K293-D296 VanDerWaalsContact N-OD2 3.09Å; K293-D296 WeakPolarHBondContact O-CB 3.23Å; K293-D296 PolarHBondContact O-N 3.02Å; K293-A297 PolarHBondContact O-N 3.02Å
294	P	90.6	Very high	92.2	Very high	45 Å²	45	52.2 Å²	52.2	29%	0.292	25%	0.254	S	S	.	.	H	α-helix	trans	-56.2	-32.6	175.9	-27.8	36.1	0	0	0	114.2	A297 R298 V309	P294-A297 WeakPolarHBondContact O-CB 3.27Å; P294-A297 PolarHBondContact O-N 3Å; P294-R298 WeakPolarHBondContact O-CG 3.22Å; P294-R298 PolarHBondContact O-N 2.89Å; P294-R298 VanDerWaalsContact O-N 3.15Å; P294-V309 HydrophobicContact CB-CG1 4.05Å; P294-V309 HydrophobicContact CB-CG2 4.46Å; P294-V309 HydrophobicContact CG-CG1 4.06Å
295	E	90.1	Very high	91.5	Very high	124 Å²	124	51.8 Å²	51.8	58%	0.579	25%	0.252	S	S	*	.	H	α-helix	trans	-66.7	-39.7	174.3	58.3	-154.3	-166.3	0	0	112.9	K293 R298 R299	K293-E295 HydrophobicContact CB-CG 3.83Å; K293-E295 HydrophobicContact CD-CG 4.34Å; K293-E295 WeakPolarHBondContact CD-OE1 3.31Å; K293-E295 IonicContact NZ-OE1 2.75Å; K293-E295 PolarHBondContact O-N 2.92Å; E295-R298 PolarHBondContact O-N 2.85Å; E295-R299 PolarHBondContact O-N 2.98Å
296	D	90.5	Very high	90.8	Very high	26 Å²	26	56.9 Å²	56.9	14%	0.139	28%	0.28	C	S	.	.	H	α-helix	trans	-66.6	-41.5	174.1	-59	-53.5	0	0	0	111	M292 K293 R298 R299 V300 F363	M292-D296 HydrophobicContact CB-CB 4.43Å; M292-D296 HydrophobicContact CE-CB 4.15Å; K293-D296 WeakPolarHBondContact CB-OD2 3.25Å; K293-D296 PolarHBondContact N-OD2 3.44Å; K293-D296 VanDerWaalsContact N-OD2 3.09Å; K293-D296 WeakPolarHBondContact O-CB 3.23Å; K293-D296 PolarHBondContact O-N 3.02Å; D296-R298 VanDerWaalsContact C-N 3.31Å; D296-R298 PolarHBondContact O-N 2.99Å; D296-R299 PolarHBondContact O-N 3.1Å; D296-R299 VanDerWaalsContact O-N 3.11Å; D296-R299 IonicContact OD1-NH2 3.86Å; D296-R299 PolarHBondContact OD1-NH2 3.49Å; D296-V300 WeakPolarHBondContact O-CG2 3.48Å; D296-V300 PolarHBondContact O-N 3.41Å; D296-F363 HydrophobicContact CB-CD2 3.98Å; D296-F363 HydrophobicContact CB-CE2 3.51Å; D296-F363 HydrophobicContact CB-CZ 3.89Å; D296-F363 WeakPolarHBondContact OD1-CE2 3.39Å
297	A	90.6	Very high	90.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-55.8	-45	176.5	0	0	0	0	0	112.3	K293 P294 R299 V300 F301 A305 I312	K293-A297 PolarHBondContact O-N 3.02Å; P294-A297 WeakPolarHBondContact O-CB 3.27Å; P294-A297 PolarHBondContact O-N 3Å; A297-R299 VanDerWaalsContact C-N 3.32Å; A297-R299 PolarHBondContact O-N 2.88Å; A297-V300 PolarHBondContact O-N 3.48Å; A297-F301 HydrophobicContact CB-CD2 4.18Å; A297-F301 WeakPolarHBondContact O-CB 3.13Å; A297-F301 WeakPolarHBondContact O-CD2 3.23Å; A297-F301 PolarHBondContact O-N 3.25Å; A297-A305 WeakPolarHBondContact O-CB 3.39Å; A297-I312 HydrophobicContact CB-CD1 3.16Å
298	R	89.8	Confident	90	Very high	149 Å²	149	60.1 Å²	60.1	56%	0.562	30%	0.298	S	S	*	.	H	α-helix	trans	-63.9	-36.6	177.2	-73.9	177.2	178.4	163.1	2.2	112.7	P294 E295 D296 Q302 A305 D306	P294-R298 WeakPolarHBondContact O-CG 3.22Å; P294-R298 PolarHBondContact O-N 2.89Å; P294-R298 VanDerWaalsContact O-N 3.15Å; E295-R298 PolarHBondContact O-N 2.85Å; D296-R298 VanDerWaalsContact C-N 3.31Å; D296-R298 PolarHBondContact O-N 2.99Å; R298-Q302 VanDerWaalsContact O-CA 3.27Å; R298-Q302 WeakPolarHBondContact O-CA 3.26Å; R298-Q302 PolarHBondContact O-N 3.33Å; R298-A305 VanDerWaalsContact CA-CB 3.45Å; R298-A305 HydrophobicContact CB-CB 4.24Å; R298-A305 HydrophobicContact CG-CB 3.83Å; R298-D306 IonicContact NE-OD1 3.99Å; R298-D306 IonicContact NH2-OD1 2.98Å
299	R	86.6	Confident	89.6	Confident	127 Å²	127	61.7 Å²	61.7	48%	0.479	31%	0.308	S	S	.	.	H	α-helix	trans	-69.9	-42.3	176.1	-175.8	176.7	58.9	-172.7	-10.6	111.9	E295 D296 A297	E295-R299 PolarHBondContact O-N 2.98Å; D296-R299 PolarHBondContact O-N 3.1Å; D296-R299 VanDerWaalsContact O-N 3.11Å; D296-R299 IonicContact OD1-NH2 3.86Å; D296-R299 PolarHBondContact OD1-NH2 3.49Å; A297-R299 VanDerWaalsContact C-N 3.32Å; A297-R299 PolarHBondContact O-N 2.88Å
300	V	87.9	Confident	89.3	Confident	1 Å²	1	65 Å²	65	1%	0.006	32%	0.323	C	S	.	.	H	α-helix	trans	-81.8	-51	-173.5	175.7	0	0	0	0	112.1	M292 D296 A297 F360 F363	M292-V300 HydrophobicContact CE-CB 3.86Å; M292-V300 HydrophobicContact CE-CG1 4.25Å; M292-V300 HydrophobicContact CE-CG2 3.72Å; D296-V300 WeakPolarHBondContact O-CG2 3.48Å; D296-V300 PolarHBondContact O-N 3.41Å; A297-V300 PolarHBondContact O-N 3.48Å; V300-F360 HydrophobicContact CG1-CB 3.74Å; V300-F360 HydrophobicContact CG1-CD2 3.76Å; V300-F360 HydrophobicContact CG1-CG 4.2Å; V300-F363 HydrophobicContact CG2-CB 3.94Å; V300-F363 HydrophobicContact CG2-CD1 4.18Å; V300-F363 HydrophobicContact CG2-CG 4.1Å
301	F	89.5	Confident	89.1	Confident	7 Å²	7	68.4 Å²	68.4	3%	0.031	34%	0.335	C	S	.	.	H	α-helix	trans	-93.8	-6	-174.8	-53.8	-60.1	0	0	0	113.9	V259 M292 A297 N303 S304 A305 L308 I312 F345 F360	V259-F301 HydrophobicContact CG1-CZ 4.4Å; V259-F301 HydrophobicContact CG2-CE1 4.09Å; V259-F301 HydrophobicContact CG2-CZ 4.34Å; M292-F301 HydrophobicContact CE-CE2 3.84Å; M292-F301 HydrophobicContact CE-CZ 4.3Å; M292-F301 HydrophobicContact SD-CE2 3.66Å; M292-F301 HydrophobicContact SD-CZ 3.93Å; A297-F301 HydrophobicContact CB-CD2 4.18Å; A297-F301 WeakPolarHBondContact O-CB 3.13Å; A297-F301 WeakPolarHBondContact O-CD2 3.23Å; A297-F301 PolarHBondContact O-N 3.25Å; F301-N303 PolarHBondContact O-N 3.43Å; F301-N303 VanDerWaalsContact O-N 3.13Å; F301-S304 PolarHBondContact O-N 2.81Å; F301-A305 HydrophobicContact CB-CB 4.24Å; F301-L308 HydrophobicContact CB-CD1 3.79Å; F301-L308 HydrophobicContact CD1-CD1 4.13Å; F301-L308 HydrophobicContact CD2-CD1 3.65Å; F301-L308 HydrophobicContact CE2-CD1 4.26Å; F301-L308 HydrophobicContact CG-CD1 3.58Å; F301-I312 HydrophobicContact CD2-CD1 4.17Å; F301-I312 HydrophobicContact CE2-CD1 3.85Å; F301-F345 HydrophobicContact CB-CE2 4.32Å; F301-F345 AromaticContact CD1-CD1 3.91Å; F301-F345 HydrophobicContact CD1-CD1 3.91Å; F301-F345 AromaticContact CD1-CD2 3.63Å; F301-F345 HydrophobicContact CD1-CD2 3.63Å; F301-F345 AromaticContact CD1-CE1 3.97Å; F301-F345 HydrophobicContact CD1-CE1 3.97Å; F301-F345 AromaticContact CD1-CE2 3.67Å; F301-F345 HydrophobicContact CD1-CE2 3.67Å; F301-F345 AromaticContact CD1-CG 3.75Å; F301-F345 HydrophobicContact CD1-CG 3.75Å; F301-F345 AromaticContact CD1-CZ 3.84Å; F301-F345 HydrophobicContact CD1-CZ 3.84Å; F301-F345 HydrophobicContact CE1-CB 4.33Å; F301-F345 AromaticContact CE1-CD1 3.78Å; F301-F345 HydrophobicContact CE1-CD1 3.78Å; F301-F345 HydrophobicContact CE1-CD2 4.2Å; F301-F345 HydrophobicContact CE1-CE1 4.13Å; F301-F345 HydrophobicContact CE1-CE2 4.49Å; F301-F345 AromaticContact CE1-CG 3.82Å; F301-F345 HydrophobicContact CE1-CG 3.82Å; F301-F345 HydrophobicContact CE1-CZ 4.47Å; F301-F345 HydrophobicContact CG-CD2 4.33Å; F301-F345 HydrophobicContact CG-CE2 4.4Å; F301-F360 HydrophobicContact CE1-CD2 4.28Å; F301-F360 HydrophobicContact CZ-CD2 4.11Å; F301-F360 HydrophobicContact CZ-CE2 4.17Å
302	Q	86.7	Confident	89	Confident	66 Å²	66	65.7 Å²	65.7	31%	0.308	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	49.7	-116.8	173.7	-57.1	176.7	14	0	0	112.1	R298 S304 A305	R298-Q302 VanDerWaalsContact O-CA 3.27Å; R298-Q302 WeakPolarHBondContact O-CA 3.26Å; R298-Q302 PolarHBondContact O-N 3.33Å; Q302-S304 PolarHBondContact O-N 3.24Å; Q302-S304 VanDerWaalsContact O-N 3.15Å; Q302-A305 WeakPolarHBondContact O-CB 3.43Å; Q302-A305 PolarHBondContact O-N 2.66Å
303	N	82.3	Confident	88.9	Confident	164 Å²	164	70.4 Å²	70.4	88%	0.877	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-62.4	-22.4	-176.3	-62.9	-18.7	0	0	0	113.5	F301	F301-N303 PolarHBondContact O-N 3.43Å; F301-N303 VanDerWaalsContact O-N 3.13Å
304	S	83.8	Confident	89	Confident	56 Å²	56	69.3 Å²	69.3	39%	0.392	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-87.9	-6.6	178.4	-56.4	0	0	0	0	113	F301 Q302 D306 D307 L308	F301-S304 PolarHBondContact O-N 2.81Å; Q302-S304 PolarHBondContact O-N 3.24Å; Q302-S304 VanDerWaalsContact O-N 3.15Å; S304-D306 PolarHBondContact O-N 3.23Å; S304-D307 PolarHBondContact O-N 3.42Å; S304-L308 VanDerWaalsContact O-CG 3.31Å; S304-L308 WeakPolarHBondContact O-CG 3.27Å
305	A	83.1	Confident	89.3	Confident	0 Å²	0	68 Å²	68	0%	0	33%	0.332	C	S	.	.	S	Bend	trans	-65.7	-39	-166.4	0	0	0	0	0	114.4	A297 R298 F301 Q302 D307 L308 V309	A297-A305 WeakPolarHBondContact O-CB 3.39Å; R298-A305 VanDerWaalsContact CA-CB 3.45Å; R298-A305 HydrophobicContact CB-CB 4.24Å; R298-A305 HydrophobicContact CG-CB 3.83Å; F301-A305 HydrophobicContact CB-CB 4.24Å; Q302-A305 WeakPolarHBondContact O-CB 3.43Å; Q302-A305 PolarHBondContact O-N 2.66Å; A305-D307 VanDerWaalsContact C-N 3.25Å; A305-D307 PolarHBondContact O-N 3.48Å; A305-L308 WeakPolarHBondContact O-CA 3.46Å; A305-L308 WeakPolarHBondContact O-CB 3.33Å; A305-L308 PolarHBondContact O-N 3.11Å; A305-V309 WeakPolarHBondContact O-CG2 3.38Å; A305-V309 PolarHBondContact O-N 2.89Å
306	D	84.8	Confident	89.6	Confident	111 Å²	111	64.4 Å²	64.4	59%	0.594	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-63.2	-33.6	-174.6	-72.2	-26.9	0	0	0	111.9	R298 S304 L308	R298-D306 IonicContact NE-OD1 3.99Å; R298-D306 IonicContact NH2-OD1 2.98Å; S304-D306 PolarHBondContact O-N 3.23Å; D306-L308 PolarHBondContact O-N 3.18Å
307	D	88.6	Confident	89.9	Confident	117 Å²	117	63.1 Å²	63.1	63%	0.626	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-74.4	-7.8	175	-68.6	-18.1	0	0	0	113.8	S304 A305	S304-D307 PolarHBondContact O-N 3.42Å; A305-D307 VanDerWaalsContact C-N 3.25Å; A305-D307 PolarHBondContact O-N 3.48Å
308	L	91.9	Very high	90.3	Very high	4 Å²	4	63.3 Å²	63.3	2%	0.021	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-110.1	-14.6	-174.9	-58.5	176.4	0	0	0	113	F261 F301 S304 A305 D306 E310 W311 I312 K343 F345	F261-L308 HydrophobicContact CE1-CB 4.26Å; F261-L308 HydrophobicContact CE1-CD2 4.3Å; F261-L308 HydrophobicContact CE2-CD2 3.71Å; F261-L308 HydrophobicContact CZ-CB 4.12Å; F261-L308 HydrophobicContact CZ-CD1 4Å; F261-L308 HydrophobicContact CZ-CD2 3.38Å; F261-L308 HydrophobicContact CZ-CG 3.99Å; F301-L308 HydrophobicContact CB-CD1 3.79Å; F301-L308 HydrophobicContact CD1-CD1 4.13Å; F301-L308 HydrophobicContact CD2-CD1 3.65Å; F301-L308 HydrophobicContact CE2-CD1 4.26Å; F301-L308 HydrophobicContact CG-CD1 3.58Å; S304-L308 VanDerWaalsContact O-CG 3.31Å; S304-L308 WeakPolarHBondContact O-CG 3.27Å; A305-L308 WeakPolarHBondContact O-CA 3.46Å; A305-L308 WeakPolarHBondContact O-CB 3.33Å; A305-L308 PolarHBondContact O-N 3.11Å; D306-L308 PolarHBondContact O-N 3.18Å; L308-E310 VanDerWaalsContact C-N 3.33Å; L308-E310 PolarHBondContact O-N 2.97Å; L308-W311 WeakPolarHBondContact O-CB 3.29Å; L308-W311 PolarHBondContact O-N 2.86Å; L308-I312 HydrophobicContact CB-CD1 4.16Å; L308-I312 WeakPolarHBondContact O-CG1 3.38Å; L308-I312 PolarHBondContact O-N 3.22Å; L308-K343 VanDerWaalsContact CD2-CE 3.43Å; L308-F345 HydrophobicContact CD1-CB 4.33Å; L308-F345 HydrophobicContact CD1-CD2 3.99Å
309	V	88.4	Confident	90.7	Very high	33 Å²	33	56.2 Å²	56.2	20%	0.2	29%	0.287	C	S	.	.	H	α-helix	trans	-56.3	-44.3	-174.9	174.9	0	0	0	0	112.4	P294 A305 W311 I312 N313	P294-V309 HydrophobicContact CB-CG1 4.05Å; P294-V309 HydrophobicContact CB-CG2 4.46Å; P294-V309 HydrophobicContact CG-CG1 4.06Å; A305-V309 WeakPolarHBondContact O-CG2 3.38Å; A305-V309 PolarHBondContact O-N 2.89Å; V309-W311 VanDerWaalsContact C-N 3.25Å; V309-W311 PolarHBondContact O-N 2.81Å; V309-I312 PolarHBondContact O-N 2.95Å; V309-N313 PolarHBondContact O-N 2.79Å; V309-N313 PolarHBondContact O-ND2 2.89Å
310	E	91.8	Very high	91.3	Very high	133 Å²	133	50.2 Å²	50.2	62%	0.621	26%	0.264	S	S	*	.	H	α-helix	trans	-60.7	-37.8	178.1	-170.1	-163.2	139	0	0	111.8	L308 K314	L308-E310 VanDerWaalsContact C-N 3.33Å; L308-E310 PolarHBondContact O-N 2.97Å; E310-K314 IonicContact OE1-NZ 3.77Å
311	W	93.7	Very high	91.8	Very high	79 Å²	79	50.2 Å²	50.2	30%	0.299	26%	0.264	S	S	.	.	H	α-helix	trans	-76.2	-35.9	-175.6	-64.7	93.3	0	0	0	112.6	F261 L308 V309 N313 K314 K343	F261-W311 HydrophobicContact CB-CB 3.91Å; F261-W311 HydrophobicContact CB-CE3 4.39Å; F261-W311 HydrophobicContact CD1-CB 3.62Å; F261-W311 HydrophobicContact CD2-CB 4.04Å; F261-W311 HydrophobicContact CD2-CG 4.49Å; F261-W311 HydrophobicContact CE1-CB 4.19Å; F261-W311 HydrophobicContact CG-CB 3.56Å; F261-W311 HydrophobicContact CG-CG 4.41Å; L308-W311 WeakPolarHBondContact O-CB 3.29Å; L308-W311 PolarHBondContact O-N 2.86Å; V309-W311 VanDerWaalsContact C-N 3.25Å; V309-W311 PolarHBondContact O-N 2.81Å; W311-N313 VanDerWaalsContact C-N 3.28Å; W311-N313 PolarHBondContact O-N 3.46Å; W311-K314 HydrophobicContact CE3-CD 3.9Å; W311-K314 HydrophobicContact CZ3-CD 4.29Å; W311-K314 WeakPolarHBondContact O-CB 3.26Å; W311-K314 PolarHBondContact O-N 2.82Å; W311-K343 HydrophobicContact CD2-CB 3.79Å; W311-K343 HydrophobicContact CD2-CG 3.75Å; W311-K343 HydrophobicContact CE3-CB 3.97Å; W311-K343 HydrophobicContact CE3-CG 4.39Å; W311-K343 HydrophobicContact CG-CB 4.45Å; W311-K343 HydrophobicContact CG-CG 3.91Å; W311-K343 HydrophobicContact CH2-CB 3.87Å; W311-K343 HydrophobicContact CZ2-CB 3.71Å; W311-K343 HydrophobicContact CZ2-CG 4.16Å; W311-K343 HydrophobicContact CZ3-CB 4Å
312	I	93	Very high	92.2	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-65.5	-33.8	177	-73.4	171.4	0	0	0	111.7	F261 M292 A297 F301 L308 V309 K314 G315 V317	F261-I312 HydrophobicContact CD1-CG1 4.01Å; F261-I312 HydrophobicContact CE1-CD1 4.36Å; F261-I312 HydrophobicContact CE1-CG1 3.73Å; M292-I312 HydrophobicContact CB-CG2 3.64Å; M292-I312 WeakPolarHBondContact O-CG2 3.37Å; A297-I312 HydrophobicContact CB-CD1 3.16Å; F301-I312 HydrophobicContact CD2-CD1 4.17Å; F301-I312 HydrophobicContact CE2-CD1 3.85Å; L308-I312 HydrophobicContact CB-CD1 4.16Å; L308-I312 WeakPolarHBondContact O-CG1 3.38Å; L308-I312 PolarHBondContact O-N 3.22Å; V309-I312 PolarHBondContact O-N 2.95Å; I312-K314 PolarHBondContact O-N 3.43Å; I312-G315 PolarHBondContact O-N 3.46Å; I312-G315 VanDerWaalsContact O-O 3.13Å; I312-V317 HydrophobicContact CG1-CG1 4.25Å
313	N	91.8	Very high	92.8	Very high	109 Å²	109	46.9 Å²	46.9	58%	0.583	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-9.7	177.3	-70.2	-34.3	0	0	0	113.8	V309 W311 G315	V309-N313 PolarHBondContact O-N 2.79Å; V309-N313 PolarHBondContact O-ND2 2.89Å; W311-N313 VanDerWaalsContact C-N 3.28Å; W311-N313 PolarHBondContact O-N 3.46Å; N313-G315 VanDerWaalsContact C-N 3.33Å
314	K	94.3	Very high	93.5	Very high	100 Å²	100	39.7 Å²	39.7	44%	0.435	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-21.9	178.9	-63.9	-178.6	-178.5	175.4	0	113	A262 E310 W311 I312	A262-K314 HydrophobicContact CB-CB 4.14Å; E310-K314 IonicContact OE1-NZ 3.77Å; W311-K314 HydrophobicContact CE3-CD 3.9Å; W311-K314 HydrophobicContact CZ3-CD 4.29Å; W311-K314 WeakPolarHBondContact O-CB 3.26Å; W311-K314 PolarHBondContact O-N 2.82Å; I312-K314 PolarHBondContact O-N 3.43Å
315	G	95.4	Very high	94.1	Very high	19 Å²	19	43.2 Å²	43.2	20%	0.196	23%	0.227	C	C	.	.	S	Bend	trans	152.8	-169.2	-179.3	0	0	0	0	0	112.7	I312 N313	I312-G315 PolarHBondContact O-N 3.46Å; I312-G315 VanDerWaalsContact O-O 3.13Å; N313-G315 VanDerWaalsContact C-N 3.33Å
316	P	96.7	Very high	94.8	Very high	47 Å²	47	44.6 Å²	44.6	31%	0.305	24%	0.242	S	C	.	.			trans	-55.9	142.2	175.2	-21.3	32	0	0	0	112.1	E289 V290	E289-P316 HydrophobicContact CG-CB 3.73Å; V290-P316 WeakPolarHBondContact O-CA 3.14Å
317	V	97.3	Very high	95.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	146.2	171.1	-55.3	0	0	0	0	109.6	V259 F260 F261 E289 V290 M292 I312 F360	V259-V317 HydrophobicContact CG1-CB 3.72Å; V259-V317 HydrophobicContact CG1-CG1 4.47Å; V259-V317 HydrophobicContact CG1-CG2 3.94Å; F260-V317 CarbonylContact O-C 3.59Å; F260-V317 WeakPolarHBondContact O-CA 3.37Å; F261-V317 HydrophobicContact CD1-CG1 3.66Å; F261-V317 HydrophobicContact CE1-CG1 4.09Å; E289-V317 VanDerWaalsContact CA-O 3.28Å; E289-V317 WeakPolarHBondContact CA-O 3.26Å; V290-V317 HydrophobicContact CG1-CG2 4.31Å; V290-V317 PolarHBondContact N-O 3.48Å; V290-V317 PolarHBondContact O-N 3.38Å; M292-V317 HydrophobicContact CG-CG2 3.93Å; M292-V317 HydrophobicContact SD-CG2 3.68Å; I312-V317 HydrophobicContact CG1-CG1 4.25Å; V317-F360 HydrophobicContact CG2-CE2 3.77Å; V317-F360 HydrophobicContact CG2-CZ 3.75Å
318	T	98.4	Very high	95.9	Very high	4 Å²	4	34 Å²	34	3%	0.025	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	110.6	176	-54.3	0	0	0	0	109	F186 V259 F260 A270 K288 L320	F186-T318 HydrophobicContact CB-CG2 4.28Å; F186-T318 HydrophobicContact CD1-CG2 3.91Å; F186-T318 HydrophobicContact CD2-CG2 3.74Å; F186-T318 HydrophobicContact CE1-CG2 4.14Å; F186-T318 HydrophobicContact CE2-CG2 3.98Å; F186-T318 HydrophobicContact CG-CG2 3.71Å; F186-T318 HydrophobicContact CZ-CG2 4.18Å; V259-T318 WeakPolarHBondContact CA-O 3.32Å; F260-T318 PolarHBondContact N-O 3.35Å; F260-T318 PolarHBondContact O-N 3.07Å; A270-T318 HydrophobicContact CB-CG2 4.28Å; K288-T318 CarbonylContact O-C 3.59Å; K288-T318 WeakPolarHBondContact O-CA 3.28Å; T318-L320 HydrophobicContact CG2-CD1 4.29Å
319	A	98.4	Very high	96.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	143.7	177.3	0	0	0	0	0	111.7	L257 F258 V259 T287 K288 F360	L257-A319 HydrophobicContact CD1-CB 4.01Å; F258-A319 CarbonylContact O-C 3.55Å; F258-A319 WeakPolarHBondContact O-CA 3.21Å; V259-A319 HydrophobicContact CG2-CB 3.97Å; T287-A319 CarbonylContact C-O 3.59Å; T287-A319 WeakPolarHBondContact CA-O 3.4Å; T287-A319 WeakPolarHBondContact CB-O 3.37Å; K288-A319 PolarHBondContact N-O 2.96Å; K288-A319 PolarHBondContact O-N 3.19Å; A319-F360 HydrophobicContact CB-CD1 3.7Å; A319-F360 HydrophobicContact CB-CD2 4.33Å; A319-F360 HydrophobicContact CB-CE1 3.2Å; A319-F360 HydrophobicContact CB-CE2 3.89Å; A319-F360 HydrophobicContact CB-CG 4.28Å; A319-F360 HydrophobicContact CB-CZ 3.32Å
320	L	98.8	Very high	96.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131.9	175.3	-57.6	91.2	0	0	0	108.3	F258 F260 A270 L273 I274 L284 T287 T318	F258-L320 PolarHBondContact N-O 3.32Å; F258-L320 PolarHBondContact O-N 2.84Å; F260-L320 HydrophobicContact CD2-CD1 3.9Å; F260-L320 HydrophobicContact CE2-CD1 4.09Å; A270-L320 HydrophobicContact CB-CD1 4.29Å; L273-L320 HydrophobicContact CD2-CD1 4.08Å; L273-L320 HydrophobicContact CD2-CD2 4.17Å; L273-L320 HydrophobicContact CD2-CG 4.49Å; I274-L320 HydrophobicContact CD1-CD2 3.73Å; I274-L320 HydrophobicContact CG1-CD2 3.49Å; I274-L320 VanDerWaalsContact CG1-CD2 3.49Å; L284-L320 HydrophobicContact CD1-CB 4.04Å; L284-L320 HydrophobicContact CD1-CD2 4.02Å; L284-L320 HydrophobicContact CD1-CG 4.48Å; T287-L320 HydrophobicContact CG2-CB 4.42Å; T287-L320 HydrophobicContact CG2-CD2 4.2Å; T287-L320 HydrophobicContact CG2-CG 3.98Å; T318-L320 HydrophobicContact CG2-CD1 4.29Å
321	E	98.6	Very high	96.9	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	118.3	168.9	-175.9	-174	169.8	0	0	109.3	K250 V285 Q286 V357 F361	K250-E321 WeakPolarHBondContact CE-OE1 3.25Å; K250-E321 IonicContact NZ-OE1 2.73Å; K250-E321 PolarHBondContact NZ-OE1 3.09Å; V285-E321 HydrophobicContact CB-CB 4.11Å; V285-E321 HydrophobicContact CB-CG 3.93Å; V285-E321 HydrophobicContact CG2-CG 4.18Å; V285-E321 PolarHBondContact N-O 3.12Å; Q286-E321 HydrophobicContact CG-CB 3.92Å; Q286-E321 WeakPolarHBondContact CG-OE2 3.41Å; Q286-E321 PolarHBondContact NE2-OE2 3.24Å; Q286-E321 PolarHBondContact O-N 2.96Å; E321-V357 VanDerWaalsContact CD-CG1 3.42Å; E321-V357 HydrophobicContact CG-CG1 3.89Å; E321-V357 HydrophobicContact CG-CG2 4.06Å; E321-F361 HydrophobicContact CB-CE2 3.75Å; E321-F361 HydrophobicContact CB-CZ 3.87Å
322	L	98.4	Very high	97.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	137.2	176.4	-65.9	168.7	0	0	0	109.5	S255 C256 L273 A277 V283 L284 C331	S255-L322 CarbonylContact C-O 3.55Å; S255-L322 VanDerWaalsContact CA-O 3.24Å; S255-L322 WeakPolarHBondContact CA-O 3.33Å; C256-L322 PolarHBondContact N-O 3.4Å; C256-L322 PolarHBondContact O-N 3.21Å; L273-L322 HydrophobicContact CD1-CD1 4.24Å; L273-L322 HydrophobicContact CD2-CD1 4.39Å; L273-L322 HydrophobicContact CG-CD1 4.31Å; A277-L322 HydrophobicContact CB-CD1 3.8Å; A277-L322 HydrophobicContact CB-CD2 3.75Å; A277-L322 HydrophobicContact CB-CG 4.42Å; V283-L322 CarbonylContact O-C 3.16Å; V283-L322 WeakPolarHBondContact O-CA 3.33Å; L284-L322 HydrophobicContact CB-CD2 4.4Å; L284-L322 HydrophobicContact CD1-CD2 4Å; L322-C331 WeakPolarHBondContact CD1-SG 3.39Å
323	N	98.3	Very high	97.3	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.7	-179.2	-179.9	-102.8	0	0	0	111.3	S252 E254 S255 V283 V285	S252-N323 PolarHBondContact N-OD1 3.06Å; S252-N323 PolarHBondContact O-ND2 3.49Å; S252-N323 PolarHBondContact O-OD1 3.38Å; E254-N323 WeakPolarHBondContact O-CA 3.25Å; E254-N323 PolarHBondContact O-ND2 3.32Å; S255-N323 PolarHBondContact OG-ND2 2.86Å; V283-N323 PolarHBondContact N-O 2.85Å; V283-N323 PolarHBondContact O-N 2.91Å; V285-N323 HydrophobicContact CG2-CB 3.41Å; V285-N323 VanDerWaalsContact CG2-CB 3.41Å
324	G	97.8	Very high	97.6	Very high	12 Å²	12	28.1 Å²	28.1	12%	0.124	16%	0.16	C	C	.	.	S	Bend	trans	150.9	159.1	178.2	0	0	0	0	0	111.8	E254 G326 A327	E254-G324 PolarHBondContact O-N 2.9Å; E254-G324 VanDerWaalsContact O-N 3.13Å; G324-G326 PolarHBondContact O-N 3.14Å; G324-A327 WeakPolarHBondContact O-CB 3.39Å; G324-A327 PolarHBondContact O-N 3.2Å
325	D	97.3	Very high	97.8	Very high	130 Å²	130	23.9 Å²	23.9	70%	0.695	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	123.4	177.9	-66	-29.9	0	0	0	110.3	S252 A327	S252-D325 WeakPolarHBondContact CB-OD1 3.35Å; S252-D325 PolarHBondContact OG-N 2.89Å; S252-D325 PolarHBondContact OG-OD1 3.11Å; D325-A327 VanDerWaalsContact C-N 3.32Å
326	G	97.1	Very high	97.9	Very high	30 Å²	30	26.6 Å²	26.6	31%	0.309	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	14.6	-174.5	0	0	0	0	0	114.4	E254 G324 V328 E329 G330	E254-G326 VanDerWaalsContact CD-N 3.32Å; E254-G326 WeakPolarHBondContact OE1-CA 3.32Å; E254-G326 PolarHBondContact OE2-N 3.1Å; G324-G326 PolarHBondContact O-N 3.14Å; G326-V328 PolarHBondContact O-N 3.17Å; G326-E329 PolarHBondContact O-N 3.36Å; G326-G330 PolarHBondContact O-N 2.85Å
327	A	97.6	Very high	97.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-53.3	-38.9	178.7	0	0	0	0	0	112.8	E254 C256 F282 G324 D325 C331	E254-A327 HydrophobicContact CG-CB 4.38Å; E254-A327 PolarHBondContact OE1-N 2.88Å; C256-A327 HydrophobicContact CB-CB 4.18Å; F282-A327 HydrophobicContact CD1-CB 4.03Å; F282-A327 VanDerWaalsContact CE1-CA 3.47Å; F282-A327 HydrophobicContact CE1-CB 4.15Å; G324-A327 WeakPolarHBondContact O-CB 3.39Å; G324-A327 PolarHBondContact O-N 3.2Å; D325-A327 VanDerWaalsContact C-N 3.32Å; A327-C331 VanDerWaalsContact O-CB 3.23Å; A327-C331 WeakPolarHBondContact O-CB 3.25Å; A327-C331 PolarHBondContact O-N 2.9Å; A327-C331 PolarHBondContact O-SG 2.99Å
328	V	97.8	Very high	97.9	Very high	6 Å²	6	32.5 Å²	32.5	4%	0.036	19%	0.186	C	C	.	.	H	α-helix	trans	-64.5	-50.8	-179.4	171.3	0	0	0	0	111.3	E254 C256 G326 G330 C331 K332 S347	E254-V328 HydrophobicContact CG-CG2 4.42Å; E254-V328 PolarHBondContact OE1-N 3.49Å; E254-V328 VanDerWaalsContact OE1-N 3.07Å; C256-V328 HydrophobicContact CB-CG2 4.03Å; G326-V328 PolarHBondContact O-N 3.17Å; V328-G330 PolarHBondContact O-N 2.93Å; V328-C331 PolarHBondContact O-N 3.18Å; V328-K332 HydrophobicContact CG1-CD 4.18Å; V328-K332 WeakPolarHBondContact O-CG 3.38Å; V328-K332 PolarHBondContact O-N 3.14Å; V328-S347 WeakPolarHBondContact CG1-O 3.21Å
329	E	97.9	Very high	97.8	Very high	123 Å²	123	32.6 Å²	32.6	58%	0.575	19%	0.186	S	C	*	.	H	α-helix	trans	-67.3	-39.3	-179.4	-172.3	58.9	-158.5	0	0	111.7	G326 C331 K332 T333	G326-E329 PolarHBondContact O-N 3.36Å; E329-C331 PolarHBondContact O-N 3.04Å; E329-K332 PolarHBondContact O-N 2.93Å; E329-T333 PolarHBondContact O-N 3.12Å; E329-T333 PolarHBondContact O-OG1 3.03Å
330	G	98	Very high	97.6	Very high	11 Å²	11	37.6 Å²	37.6	11%	0.113	22%	0.221	C	C	.	.	H	α-helix	trans	-60.7	-43.5	174.6	0	0	0	0	0	112.5	G326 V328 T333 I334	G326-G330 PolarHBondContact O-N 2.85Å; V328-G330 PolarHBondContact O-N 2.93Å; G330-T333 WeakPolarHBondContact O-CB 3.33Å; G330-T333 PolarHBondContact O-N 3.14Å; G330-I334 WeakPolarHBondContact O-CG1 3.45Å; G330-I334 PolarHBondContact O-N 2.89Å
331	C	98.1	Very high	97.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.6	-40.2	176	-72.5	0	0	0	0	112.5	C256 F258 L322 A327 V328 E329 T333 I334 A335 V346	C256-C331 HydrophobicContact CB-CB 4.38Å; C256-C331 WeakPolarHBondContact SG-CB 3.48Å; C256-C331 VanDerWaalsContact SG-SG 3.67Å; F258-C331 HydrophobicContact CD2-CB 4Å; F258-C331 HydrophobicContact CE2-CB 4.39Å; L322-C331 WeakPolarHBondContact CD1-SG 3.39Å; A327-C331 VanDerWaalsContact O-CB 3.23Å; A327-C331 WeakPolarHBondContact O-CB 3.25Å; A327-C331 PolarHBondContact O-N 2.9Å; A327-C331 PolarHBondContact O-SG 2.99Å; V328-C331 PolarHBondContact O-N 3.18Å; E329-C331 PolarHBondContact O-N 3.04Å; C331-T333 VanDerWaalsContact C-N 3.3Å; C331-T333 PolarHBondContact O-N 2.87Å; C331-I334 PolarHBondContact O-N 3.48Å; C331-A335 VanDerWaalsContact O-CB 3.27Å; C331-A335 WeakPolarHBondContact O-CB 3.43Å; C331-A335 PolarHBondContact O-N 2.76Å; C331-V346 HydrophobicContact CB-CG2 3.71Å
332	K	97.8	Very high	97.1	Very high	64 Å²	64	44 Å²	44	28%	0.278	28%	0.276	S	S	.	.	H	α-helix	trans	-63.9	-36.8	175.1	-70.3	175.4	92.1	171.8	0	112.1	V328 E329 A335 S336 V346 D348	V328-K332 HydrophobicContact CG1-CD 4.18Å; V328-K332 WeakPolarHBondContact O-CG 3.38Å; V328-K332 PolarHBondContact O-N 3.14Å; E329-K332 PolarHBondContact O-N 2.93Å; K332-A335 WeakPolarHBondContact O-CB 3.48Å; K332-A335 PolarHBondContact O-N 2.93Å; K332-S336 PolarHBondContact O-N 3.29Å; K332-S336 PolarHBondContact O-OG 3.09Å; K332-V346 HydrophobicContact CG-CG1 3.99Å; K332-V346 HydrophobicContact CG-CG2 4.13Å; K332-D348 PolarHBondContact NZ-O 3.33Å; K332-D348 IonicContact NZ-OD1 2.67Å; K332-D348 PolarHBondContact NZ-OD1 2.72Å
333	T	97.9	Very high	96.9	Very high	39 Å²	39	47.6 Å²	47.6	24%	0.239	29%	0.291	C	S	.	.	H	α-helix	trans	-65.7	-47.2	173.8	-57.3	0	0	0	0	111.2	E329 G330 C331 A335 S336 E337	E329-T333 PolarHBondContact O-N 3.12Å; E329-T333 PolarHBondContact O-OG1 3.03Å; G330-T333 WeakPolarHBondContact O-CB 3.33Å; G330-T333 PolarHBondContact O-N 3.14Å; C331-T333 VanDerWaalsContact C-N 3.3Å; C331-T333 PolarHBondContact O-N 2.87Å; T333-A335 VanDerWaalsContact C-N 3.31Å; T333-A335 PolarHBondContact O-N 2.91Å; T333-S336 PolarHBondContact O-N 2.74Å; T333-S336 PolarHBondContact O-OG 2.78Å; T333-S336 VanDerWaalsContact O-OG 3.04Å; T333-E337 HydrophobicContact CG2-CG 4.23Å; T333-E337 WeakPolarHBondContact O-CB 3.39Å; T333-E337 WeakPolarHBondContact O-CG 3.45Å; T333-E337 PolarHBondContact O-N 3.24Å
334	I	98.1	Very high	96.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.9	-44.4	175.8	-65.7	164	0	0	0	110.6	L273 E276 A277 K280 G330 C331 S336 V338 F339	L273-I334 HydrophobicContact CD1-CB 4.44Å; L273-I334 HydrophobicContact CD1-CD1 4.28Å; L273-I334 HydrophobicContact CD1-CG2 3.74Å; E276-I334 HydrophobicContact CB-CD1 4.02Å; E276-I334 HydrophobicContact CB-CG1 4.25Å; E276-I334 HydrophobicContact CB-CG2 4.18Å; A277-I334 HydrophobicContact CB-CD1 4.37Å; K280-I334 HydrophobicContact CD-CD1 4.03Å; K280-I334 HydrophobicContact CD-CG1 4.12Å; G330-I334 WeakPolarHBondContact O-CG1 3.45Å; G330-I334 PolarHBondContact O-N 2.89Å; C331-I334 PolarHBondContact O-N 3.48Å; I334-S336 VanDerWaalsContact C-N 3.34Å; I334-S336 PolarHBondContact O-N 2.76Å; I334-V338 HydrophobicContact CG2-CB 4.17Å; I334-V338 HydrophobicContact CG2-CG2 4.02Å; I334-V338 WeakPolarHBondContact O-CA 3.43Å; I334-V338 WeakPolarHBondContact O-CB 3.4Å; I334-V338 PolarHBondContact O-N 3.21Å; I334-F339 HydrophobicContact CG2-CD2 4.01Å; I334-F339 HydrophobicContact CG2-CE2 3.67Å
335	A	97.7	Very high	96.7	Very high	12 Å²	12	49 Å²	49	10%	0.099	30%	0.295	C	S	.	.	H	α-helix	trans	-54.4	-47.1	176.8	0	0	0	0	0	112.4	F258 C331 K332 T333 F339 S340 I344	F258-A335 HydrophobicContact CE2-CB 4.05Å; F258-A335 HydrophobicContact CZ-CB 4.07Å; C331-A335 VanDerWaalsContact O-CB 3.27Å; C331-A335 WeakPolarHBondContact O-CB 3.43Å; C331-A335 PolarHBondContact O-N 2.76Å; K332-A335 WeakPolarHBondContact O-CB 3.48Å; K332-A335 PolarHBondContact O-N 2.93Å; T333-A335 VanDerWaalsContact C-N 3.31Å; T333-A335 PolarHBondContact O-N 2.91Å; A335-F339 CarbonylContact O-C 3.56Å; A335-F339 WeakPolarHBondContact O-CA 3.25Å; A335-F339 WeakPolarHBondContact O-CB 2.99Å; A335-F339 PolarHBondContact O-N 3.46Å; A335-S340 PolarHBondContact O-N 3.28Å; A335-I344 HydrophobicContact CB-CD1 3.32Å
336	S	97.2	Very high	96.7	Very high	75 Å²	75	44.2 Å²	44.2	52%	0.524	27%	0.27	S	S	.	.	H	α-helix	trans	-77.8	-36.6	-177.1	65.8	0	0	0	0	113.5	K332 T333 I334 S340	K332-S336 PolarHBondContact O-N 3.29Å; K332-S336 PolarHBondContact O-OG 3.09Å; T333-S336 PolarHBondContact O-N 2.74Å; T333-S336 PolarHBondContact O-OG 2.78Å; T333-S336 VanDerWaalsContact O-OG 3.04Å; I334-S336 VanDerWaalsContact C-N 3.34Å; I334-S336 PolarHBondContact O-N 2.76Å; S336-S340 WeakPolarHBondContact O-CB 3.32Å
337	E	97.2	Very high	96.7	Very high	134 Å²	134	42.8 Å²	42.8	63%	0.626	26%	0.256	S	S	*	.	H	α-helix	trans	-83.1	-42.1	-176.8	-67.9	-179.6	166.6	0	0	112.4	T333	T333-E337 HydrophobicContact CG2-CG 4.23Å; T333-E337 WeakPolarHBondContact O-CB 3.39Å; T333-E337 WeakPolarHBondContact O-CG 3.45Å; T333-E337 PolarHBondContact O-N 3.24Å
338	V	97.4	Very high	96.4	Very high	38 Å²	38	48.2 Å²	48.2	23%	0.23	29%	0.285	C	S	.	.	H	α-helix	trans	-97.4	-33.4	-170.4	-173.4	0	0	0	0	111.9	K272 E276 I334	K272-V338 HydrophobicContact CD-CG1 3.72Å; K272-V338 HydrophobicContact CG-CG1 4.31Å; E276-V338 HydrophobicContact CG-CG2 4.37Å; I334-V338 HydrophobicContact CG2-CB 4.17Å; I334-V338 HydrophobicContact CG2-CG2 4.02Å; I334-V338 WeakPolarHBondContact O-CA 3.43Å; I334-V338 WeakPolarHBondContact O-CB 3.4Å; I334-V338 PolarHBondContact O-N 3.21Å
339	F	97.1	Very high	96	Very high	6 Å²	6	51.4 Å²	51.4	3%	0.026	30%	0.301	C	S	.	.			trans	-121.5	24.2	-170.2	-55.8	-65.7	0	0	0	113.6	F258 F260 N269 K272 L273 I334 A335 G341 T342 I344	F258-F339 HydrophobicContact CZ-CD2 4.06Å; F258-F339 HydrophobicContact CZ-CE2 4.42Å; F260-F339 HydrophobicContact CE1-CD1 4.16Å; F260-F339 HydrophobicContact CE1-CD2 4.49Å; F260-F339 HydrophobicContact CE1-CE1 4.21Å; F260-F339 HydrophobicContact CE1-CG 4.31Å; F260-F339 HydrophobicContact CE1-CZ 4.39Å; F260-F339 HydrophobicContact CZ-CD1 4.48Å; F260-F339 HydrophobicContact CZ-CD2 4.32Å; F260-F339 HydrophobicContact CZ-CE1 4.17Å; F260-F339 AromaticContact CZ-CE2 3.99Å; F260-F339 HydrophobicContact CZ-CE2 3.99Å; F260-F339 AromaticContact CZ-CZ 3.91Å; F260-F339 HydrophobicContact CZ-CZ 3.91Å; N269-F339 HydrophobicContact CB-CD1 4.37Å; N269-F339 HydrophobicContact CB-CE1 3.77Å; N269-F339 HydrophobicContact CB-CZ 4.48Å; N269-F339 WeakPolarHBondContact O-CZ 3.32Å; K272-F339 HydrophobicContact CB-CZ 4.23Å; K272-F339 HydrophobicContact CD-CE1 4.37Å; K272-F339 HydrophobicContact CD-CZ 4.44Å; K272-F339 HydrophobicContact CG-CZ 4.35Å; L273-F339 HydrophobicContact CB-CE2 4.03Å; L273-F339 HydrophobicContact CB-CZ 4.11Å; L273-F339 HydrophobicContact CD1-CE2 4.28Å; I334-F339 HydrophobicContact CG2-CD2 4.01Å; I334-F339 HydrophobicContact CG2-CE2 3.67Å; A335-F339 CarbonylContact O-C 3.56Å; A335-F339 WeakPolarHBondContact O-CA 3.25Å; A335-F339 WeakPolarHBondContact O-CB 2.99Å; A335-F339 PolarHBondContact O-N 3.46Å; F339-G341 PolarHBondContact O-N 3.5Å; F339-T342 PolarHBondContact O-N 2.93Å; F339-I344 HydrophobicContact CB-CD1 4.15Å
340	S	92.8	Very high	95.7	Very high	105 Å²	105	50.7 Å²	50.7	73%	0.734	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-30.9	-177.2	54.1	0	0	0	0	115.7	A335 S336	A335-S340 PolarHBondContact O-N 3.28Å; S336-S340 WeakPolarHBondContact O-CB 3.32Å
341	G	92.1	Very high	95.3	Very high	79 Å²	79	57 Å²	57	81%	0.814	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	0.2	177.7	0	0	0	0	0	115.3	F339	F339-G341 PolarHBondContact O-N 3.5Å
342	T	94.7	Very high	95	Very high	56 Å²	56	59.2 Å²	59.2	34%	0.344	34%	0.341	S	S	.	.	S	Bend	trans	-110.1	128.2	-174.9	-54.5	0	0	0	0	109.7	F260 F339 I344	F260-T342 HydrophobicContact CD1-CG2 4.46Å; F339-T342 PolarHBondContact O-N 2.93Å; T342-I344 HydrophobicContact CG2-CG2 4Å; T342-I344 PolarHBondContact O-N 2.95Å
343	K	95.2	Very high	94.8	Very high	77 Å²	77	56.2 Å²	56.2	34%	0.335	33%	0.328	S	S	.	.			trans	-68.6	125.5	170.6	-174.2	71.4	174.9	-178.1	0	109	F261 L308 W311	F261-K343 HydrophobicContact CD2-CG 4.07Å; F261-K343 WeakPolarHBondContact CD2-O 3.38Å; F261-K343 HydrophobicContact CE2-CG 4.11Å; L308-K343 VanDerWaalsContact CD2-CE 3.43Å; W311-K343 HydrophobicContact CD2-CB 3.79Å; W311-K343 HydrophobicContact CD2-CG 3.75Å; W311-K343 HydrophobicContact CE3-CB 3.97Å; W311-K343 HydrophobicContact CE3-CG 4.39Å; W311-K343 HydrophobicContact CG-CB 4.45Å; W311-K343 HydrophobicContact CG-CG 3.91Å; W311-K343 HydrophobicContact CH2-CB 3.87Å; W311-K343 HydrophobicContact CZ2-CB 3.71Å; W311-K343 HydrophobicContact CZ2-CG 4.16Å; W311-K343 HydrophobicContact CZ3-CB 4Å
344	I	96.1	Very high	94.5	Very high	27 Å²	27	57.3 Å²	57.3	14%	0.138	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	160	179.9	53.9	175.5	0	0	0	109.1	F258 V259 F260 A335 F339 T342	F258-I344 HydrophobicContact CE1-CB 4.02Å; F258-I344 HydrophobicContact CE1-CD1 3.75Å; F258-I344 HydrophobicContact CE1-CG1 4.45Å; F258-I344 HydrophobicContact CE1-CG2 4Å; F258-I344 HydrophobicContact CE2-CD1 4.36Å; F258-I344 HydrophobicContact CZ-CD1 3.41Å; F258-I344 VanDerWaalsContact CZ-CD1 3.41Å; V259-I344 WeakPolarHBondContact O-CA 3.29Å; F260-I344 HydrophobicContact CD1-CG2 3.47Å; F260-I344 VanDerWaalsContact CD1-CG2 3.47Å; F260-I344 HydrophobicContact CE1-CG2 3.6Å; F260-I344 HydrophobicContact CG-CG2 4.36Å; A335-I344 HydrophobicContact CB-CD1 3.32Å; F339-I344 HydrophobicContact CB-CD1 4.15Å; T342-I344 HydrophobicContact CG2-CG2 4Å; T342-I344 PolarHBondContact O-N 2.95Å
345	F	96.5	Very high	94.3	Very high	17 Å²	17	62.9 Å²	62.9	8%	0.075	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	137	163.2	170.6	-82.3	0	0	0	108.4	L257 F258 V259 F261 F301 L308	L257-F345 HydrophobicContact CB-CE1 4.38Å; L257-F345 HydrophobicContact CD2-CD1 4.25Å; L257-F345 HydrophobicContact CD2-CE1 3.79Å; L257-F345 HydrophobicContact CG-CD1 4.36Å; L257-F345 HydrophobicContact CG-CE1 4.12Å; F258-F345 CarbonylContact C-O 3.58Å; F258-F345 WeakPolarHBondContact CA-O 3.43Å; V259-F345 HydrophobicContact CB-CB 4.16Å; V259-F345 HydrophobicContact CB-CD1 4.49Å; V259-F345 HydrophobicContact CG2-CD1 4.06Å; V259-F345 PolarHBondContact N-O 3.17Å; V259-F345 PolarHBondContact O-N 3.42Å; F261-F345 HydrophobicContact CE2-CB 4.45Å; F261-F345 HydrophobicContact CZ-CB 4.24Å; F301-F345 HydrophobicContact CB-CE2 4.32Å; F301-F345 AromaticContact CD1-CD1 3.91Å; F301-F345 HydrophobicContact CD1-CD1 3.91Å; F301-F345 AromaticContact CD1-CD2 3.63Å; F301-F345 HydrophobicContact CD1-CD2 3.63Å; F301-F345 AromaticContact CD1-CE1 3.97Å; F301-F345 HydrophobicContact CD1-CE1 3.97Å; F301-F345 AromaticContact CD1-CE2 3.67Å; F301-F345 HydrophobicContact CD1-CE2 3.67Å; F301-F345 AromaticContact CD1-CG 3.75Å; F301-F345 HydrophobicContact CD1-CG 3.75Å; F301-F345 AromaticContact CD1-CZ 3.84Å; F301-F345 HydrophobicContact CD1-CZ 3.84Å; F301-F345 HydrophobicContact CE1-CB 4.33Å; F301-F345 AromaticContact CE1-CD1 3.78Å; F301-F345 HydrophobicContact CE1-CD1 3.78Å; F301-F345 HydrophobicContact CE1-CD2 4.2Å; F301-F345 HydrophobicContact CE1-CE1 4.13Å; F301-F345 HydrophobicContact CE1-CE2 4.49Å; F301-F345 AromaticContact CE1-CG 3.82Å; F301-F345 HydrophobicContact CE1-CG 3.82Å; F301-F345 HydrophobicContact CE1-CZ 4.47Å; F301-F345 HydrophobicContact CG-CD2 4.33Å; F301-F345 HydrophobicContact CG-CE2 4.4Å; L308-F345 HydrophobicContact CD1-CB 4.33Å; L308-F345 HydrophobicContact CD1-CD2 3.99Å
346	V	96.8	Very high	94.1	Very high	30 Å²	30	62.9 Å²	62.9	18%	0.182	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	139.1	173.2	61.2	0	0	0	0	107.5	L257 F258 C331 K332 D348	L257-V346 CarbonylContact O-C 3.4Å; L257-V346 WeakPolarHBondContact O-CA 3.21Å; F258-V346 HydrophobicContact CD2-CB 4.32Å; F258-V346 HydrophobicContact CD2-CG2 3.98Å; F258-V346 HydrophobicContact CE2-CB 4.5Å; F258-V346 HydrophobicContact CE2-CG2 4.33Å; C331-V346 HydrophobicContact CB-CG2 3.71Å; K332-V346 HydrophobicContact CG-CG1 3.99Å; K332-V346 HydrophobicContact CG-CG2 4.13Å; V346-D348 PolarHBondContact O-N 3.13Å
347	S	95.9	Very high	94.1	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.331	C	S	.	.			trans	-51.4	131.9	173.8	-74.8	0	0	0	0	110.4	L257 V328 D356	L257-S347 PolarHBondContact N-OG 3.16Å; L257-S347 VanDerWaalsContact N-OG 3.16Å; L257-S347 PolarHBondContact O-N 3.19Å; V328-S347 WeakPolarHBondContact CG1-O 3.21Å; S347-D356 WeakPolarHBondContact CB-OD2 3.35Å; S347-D356 PolarHBondContact OG-OD2 3.13Å
348	D	91.3	Very high	94	Very high	113 Å²	113	57.1 Å²	57.1	60%	0.604	32%	0.322	S	S	*	.			trans	-85.1	-35.2	-171.4	-175.3	41.7	0	0	0	112.7	K332 V346	K332-D348 PolarHBondContact NZ-O 3.33Å; K332-D348 IonicContact NZ-OD1 2.67Å; K332-D348 PolarHBondContact NZ-OD1 2.72Å; V346-D348 PolarHBondContact O-N 3.13Å
349	N	90.6	Very high	93.8	Very high	73 Å²	73	56.8 Å²	56.8	39%	0.39	32%	0.322	S	S	.	.			trans	-138.5	135.7	-171.6	-170.7	-44.6	0	0	0	111.4	N351 T352 S353	N349-N351 PolarHBondContact O-N 2.88Å; N349-N351 WeakPolarHBondContact OD1-CB 3.16Å; N349-N351 PolarHBondContact OD1-N 2.86Å; N349-T352 PolarHBondContact O-N 3.01Å; N349-T352 PolarHBondContact O-OG1 3.2Å; N349-S353 WeakPolarHBondContact O-CB 3.36Å; N349-S353 PolarHBondContact O-N 2.86Å
350	K	91.3	Very high	93.8	Very high	109 Å²	109	56.5 Å²	56.5	47%	0.474	32%	0.32	S	S	.	.	H	α-helix	trans	-47.5	-43.2	173.4	178.8	170.6	-179.1	148.7	0	113.1	E254 T352 S353	E254-K350 HydrophobicContact CG-CD 4.28Å; E254-K350 HydrophobicContact CG-CG 4.09Å; E254-K350 WeakPolarHBondContact OE2-CD 3.19Å; E254-K350 VanDerWaalsContact OE2-CE 3.25Å; E254-K350 WeakPolarHBondContact OE2-CE 3.03Å; E254-K350 IonicContact OE2-NZ 3.48Å; E254-K350 PolarHBondContact OE2-NZ 2.98Å; K350-T352 VanDerWaalsContact C-N 3.27Å; K350-T352 PolarHBondContact O-N 2.99Å; K350-S353 PolarHBondContact O-N 2.94Å; K350-S353 PolarHBondContact O-OG 2.75Å
351	N	90.6	Very high	93.9	Very high	143 Å²	143	51.9 Å²	51.9	77%	0.765	29%	0.287	S	S	*	.	H	α-helix	trans	-69.8	-21.1	-176.1	-63	-27.9	0	0	0	113.9	N349	N349-N351 PolarHBondContact O-N 2.88Å; N349-N351 WeakPolarHBondContact OD1-CB 3.16Å; N349-N351 PolarHBondContact OD1-N 2.86Å
352	T	90.4	Very high	94	Very high	47 Å²	47	52.8 Å²	52.8	29%	0.288	27%	0.273	S	S	.	.	H	α-helix	trans	-111.2	-13.6	179.6	60.1	0	0	0	0	112.9	N349 K350 T354 R355 D356	N349-T352 PolarHBondContact O-N 3.01Å; N349-T352 PolarHBondContact O-OG1 3.2Å; K350-T352 VanDerWaalsContact C-N 3.27Å; K350-T352 PolarHBondContact O-N 2.99Å; T352-T354 PolarHBondContact O-N 3.23Å; T352-R355 WeakPolarHBondContact O-CA 3.28Å; T352-R355 VanDerWaalsContact O-CB 3.29Å; T352-R355 WeakPolarHBondContact O-CB 3.27Å; T352-R355 PolarHBondContact O-N 2.83Å; T352-D356 PolarHBondContact O-N 2.91Å; T352-D356 VanDerWaalsContact O-N 3.08Å
353	S	93.1	Very high	94	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-56.5	-43.3	-174	63.8	0	0	0	0	114	S255 N349 K350 R355 D356 V357	S255-S353 WeakPolarHBondContact O-CB 3.46Å; S255-S353 PolarHBondContact O-OG 3.04Å; N349-S353 WeakPolarHBondContact O-CB 3.36Å; N349-S353 PolarHBondContact O-N 2.86Å; K350-S353 PolarHBondContact O-N 2.94Å; K350-S353 PolarHBondContact O-OG 2.75Å; S353-R355 VanDerWaalsContact C-N 3.27Å; S353-R355 PolarHBondContact O-N 2.75Å; S353-D356 WeakPolarHBondContact O-CB 3.38Å; S353-D356 PolarHBondContact O-N 2.71Å; S353-D356 VanDerWaalsContact O-N 3.1Å; S353-V357 WeakPolarHBondContact O-CG2 3.46Å; S353-V357 PolarHBondContact O-N 3.04Å
354	T	92.9	Very high	94	Very high	62 Å²	62	46.7 Å²	46.7	38%	0.38	24%	0.242	S	C	.	.	H	α-helix	trans	-59.1	-39.7	174.5	-50	0	0	0	0	111.7	T352 D356 V357 D358	T352-T354 PolarHBondContact O-N 3.23Å; T354-D356 VanDerWaalsContact C-N 3.34Å; T354-D356 PolarHBondContact O-N 3.44Å; T354-V357 WeakPolarHBondContact O-CB 3.42Å; T354-V357 PolarHBondContact O-N 3.12Å; T354-D358 WeakPolarHBondContact O-CB 3.37Å; T354-D358 PolarHBondContact O-N 2.61Å
355	R	93.2	Very high	93.7	Very high	117 Å²	117	47.4 Å²	47.4	44%	0.442	25%	0.246	S	C	.	.	H	α-helix	trans	-67.5	-35.6	177	-175	-171.8	65.6	172	2.8	111.7	T352 S353 S359	T352-R355 WeakPolarHBondContact O-CA 3.28Å; T352-R355 VanDerWaalsContact O-CB 3.29Å; T352-R355 WeakPolarHBondContact O-CB 3.27Å; T352-R355 PolarHBondContact O-N 2.83Å; S353-R355 VanDerWaalsContact C-N 3.27Å; S353-R355 PolarHBondContact O-N 2.75Å; R355-S359 WeakPolarHBondContact O-CB 3.45Å; R355-S359 PolarHBondContact O-N 2.99Å; R355-S359 PolarHBondContact O-OG 2.87Å
356	D	94.3	Very high	93.4	Very high	13 Å²	13	52.4 Å²	52.4	7%	0.07	27%	0.271	C	S	.	.	H	α-helix	trans	-63.8	-47.5	175.8	-55.8	-26.2	0	0	0	110.1	L257 S347 T352 S353 T354 S359 F360	L257-D356 HydrophobicContact CB-CB 4.19Å; L257-D356 HydrophobicContact CD2-CB 4.06Å; L257-D356 WeakPolarHBondContact CD2-O 3.25Å; S347-D356 WeakPolarHBondContact CB-OD2 3.35Å; S347-D356 PolarHBondContact OG-OD2 3.13Å; T352-D356 PolarHBondContact O-N 2.91Å; T352-D356 VanDerWaalsContact O-N 3.08Å; S353-D356 WeakPolarHBondContact O-CB 3.38Å; S353-D356 PolarHBondContact O-N 2.71Å; S353-D356 VanDerWaalsContact O-N 3.1Å; T354-D356 VanDerWaalsContact C-N 3.34Å; T354-D356 PolarHBondContact O-N 3.44Å; D356-S359 PolarHBondContact O-N 2.86Å; D356-F360 WeakPolarHBondContact O-CB 3.33Å; D356-F360 PolarHBondContact O-N 2.92Å
357	V	96.2	Very high	93	Very high	5 Å²	5	55.3 Å²	55.3	3%	0.03	28%	0.282	C	S	.	.	H	α-helix	trans	-55.5	-58	173.8	171.5	0	0	0	0	110	L257 E321 S353 T354 S359 F360 F361	L257-V357 HydrophobicContact CB-CG2 3.87Å; E321-V357 VanDerWaalsContact CD-CG1 3.42Å; E321-V357 HydrophobicContact CG-CG1 3.89Å; E321-V357 HydrophobicContact CG-CG2 4.06Å; S353-V357 WeakPolarHBondContact O-CG2 3.46Å; S353-V357 PolarHBondContact O-N 3.04Å; T354-V357 WeakPolarHBondContact O-CB 3.42Å; T354-V357 PolarHBondContact O-N 3.12Å; V357-S359 VanDerWaalsContact C-N 3.28Å; V357-S359 PolarHBondContact O-N 2.85Å; V357-F360 PolarHBondContact O-N 2.71Å; V357-F360 VanDerWaalsContact O-N 3.12Å; V357-F361 HydrophobicContact CG1-CD2 3.73Å; V357-F361 HydrophobicContact CG1-CE2 4.05Å; V357-F361 VanDerWaalsContact O-CD2 3.3Å; V357-F361 WeakPolarHBondContact O-CD2 3.31Å; V357-F361 PolarHBondContact O-N 3.08Å
358	D	95.1	Very high	92.4	Very high	83 Å²	83	57.8 Å²	57.8	44%	0.444	30%	0.295	S	S	.	.	H	α-helix	trans	-57.6	-42.8	-178.2	-68	-19.9	0	0	0	111.5	T354 F360 N362	T354-D358 WeakPolarHBondContact O-CB 3.37Å; T354-D358 PolarHBondContact O-N 2.61Å; D358-F360 PolarHBondContact O-N 3.44Å; D358-N362 WeakPolarHBondContact O-CB 3.3Å; D358-N362 PolarHBondContact O-N 3.25Å; D358-N362 PolarHBondContact O-ND2 2.9Å
359	S	94.9	Very high	91.8	Very high	31 Å²	31	55.7 Å²	55.7	22%	0.217	30%	0.3	C	S	.	.	H	α-helix	trans	-63.5	-42.5	179.6	-59.7	0	0	0	0	111.5	R355 D356 V357 F363	R355-S359 WeakPolarHBondContact O-CB 3.45Å; R355-S359 PolarHBondContact O-N 2.99Å; R355-S359 PolarHBondContact O-OG 2.87Å; D356-S359 PolarHBondContact O-N 2.86Å; V357-S359 VanDerWaalsContact C-N 3.28Å; V357-S359 PolarHBondContact O-N 2.85Å; S359-F363 WeakPolarHBondContact O-CB 3.24Å; S359-F363 PolarHBondContact O-N 3.14Å
360	F	96.4	Very high	90.4	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-69.2	-53.5	179.8	-172.7	-76.6	0	0	0	111.7	L257 V259 K288 V290 M292 V300 F301 V317 A319 D356 V357 D358 F363 A364	L257-F360 HydrophobicContact CD1-CB 4.21Å; L257-F360 HydrophobicContact CD1-CD1 4.5Å; L257-F360 HydrophobicContact CD1-CG 4.16Å; L257-F360 HydrophobicContact CD2-CB 3.64Å; L257-F360 HydrophobicContact CD2-CD2 4.16Å; L257-F360 HydrophobicContact CD2-CG 4.08Å; V259-F360 HydrophobicContact CG1-CE2 4.42Å; V259-F360 HydrophobicContact CG2-CD2 4.24Å; V259-F360 HydrophobicContact CG2-CE2 4.19Å; K288-F360 HydrophobicContact CB-CE1 4.06Å; V290-F360 HydrophobicContact CG1-CE1 4.07Å; V290-F360 HydrophobicContact CG1-CZ 3.67Å; M292-F360 HydrophobicContact SD-CE2 3.85Å; V300-F360 HydrophobicContact CG1-CB 3.74Å; V300-F360 HydrophobicContact CG1-CD2 3.76Å; V300-F360 HydrophobicContact CG1-CG 4.2Å; F301-F360 HydrophobicContact CE1-CD2 4.28Å; F301-F360 HydrophobicContact CZ-CD2 4.11Å; F301-F360 HydrophobicContact CZ-CE2 4.17Å; V317-F360 HydrophobicContact CG2-CE2 3.77Å; V317-F360 HydrophobicContact CG2-CZ 3.75Å; A319-F360 HydrophobicContact CB-CD1 3.7Å; A319-F360 HydrophobicContact CB-CD2 4.33Å; A319-F360 HydrophobicContact CB-CE1 3.2Å; A319-F360 HydrophobicContact CB-CE2 3.89Å; A319-F360 HydrophobicContact CB-CG 4.28Å; A319-F360 HydrophobicContact CB-CZ 3.32Å; D356-F360 WeakPolarHBondContact O-CB 3.33Å; D356-F360 PolarHBondContact O-N 2.92Å; V357-F360 PolarHBondContact O-N 2.71Å; V357-F360 VanDerWaalsContact O-N 3.12Å; D358-F360 PolarHBondContact O-N 3.44Å; F360-F363 WeakPolarHBondContact O-CB 3.45Å; F360-F363 PolarHBondContact O-N 3.15Å; F360-A364 HydrophobicContact CD1-CB 4.49Å; F360-A364 HydrophobicContact CE1-CB 4.18Å; F360-A364 PolarHBondContact O-N 3.3Å
361	F	95.3	Very high	90.4	Very high	7 Å²	7	52.4 Å²	52.4	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-71.1	-35.7	-173.4	-74	-84	0	0	0	112.1	L257 Q286 K288 E321 V357 F363 A364 D365	L257-F361 HydrophobicContact CD1-CE2 4.06Å; Q286-F361 HydrophobicContact CB-CE1 4.24Å; Q286-F361 VanDerWaalsContact CD-CD1 3.41Å; Q286-F361 VanDerWaalsContact CD-CE1 3.42Å; Q286-F361 HydrophobicContact CG-CD1 4.06Å; Q286-F361 HydrophobicContact CG-CE1 3.5Å; Q286-F361 HydrophobicContact CG-CE2 4.3Å; Q286-F361 HydrophobicContact CG-CZ 3.66Å; Q286-F361 VanDerWaalsContact OE1-CD1 3.31Å; K288-F361 HydrophobicContact CB-CE1 4.18Å; K288-F361 HydrophobicContact CG-CD1 3.62Å; K288-F361 HydrophobicContact CG-CE1 3.54Å; E321-F361 HydrophobicContact CB-CE2 3.75Å; E321-F361 HydrophobicContact CB-CZ 3.87Å; V357-F361 HydrophobicContact CG1-CD2 3.73Å; V357-F361 HydrophobicContact CG1-CE2 4.05Å; V357-F361 VanDerWaalsContact O-CD2 3.3Å; V357-F361 WeakPolarHBondContact O-CD2 3.31Å; V357-F361 PolarHBondContact O-N 3.08Å; F361-F363 VanDerWaalsContact C-N 3.3Å; F361-F363 PolarHBondContact O-N 2.88Å; F361-A364 PolarHBondContact O-N 3.07Å; F361-D365 WeakPolarHBondContact O-CB 3.48Å; F361-D365 PolarHBondContact O-N 3.46Å
362	N	94.4	Very high	90.4	Very high	98 Å²	98	47.6 Å²	47.6	52%	0.524	26%	0.262	S	S	.	.	H	α-helix	trans	-61	-40.8	171.2	-73.8	-41.5	0	0	0	111.8	D358 M366	D358-N362 WeakPolarHBondContact O-CB 3.3Å; D358-N362 PolarHBondContact O-N 3.25Å; D358-N362 PolarHBondContact O-ND2 2.9Å; N362-M366 WeakPolarHBondContact O-CB 3.13Å; N362-M366 WeakPolarHBondContact O-CE 3.3Å; N362-M366 VanDerWaalsContact O-CG 3.3Å; N362-M366 WeakPolarHBondContact O-CG 3.2Å; N362-M366 PolarHBondContact O-N 2.88Å
363	F	94.6	Very high	90.4	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-63.1	-48.4	174.4	151.3	-100.4	0	0	0	111.7	V290 M292 D296 V300 S359 F360 F361 D365 M366 Q367	V290-F363 HydrophobicContact CG1-CE1 3.88Å; V290-F363 HydrophobicContact CG2-CE1 4.18Å; V290-F363 HydrophobicContact CG2-CZ 4.31Å; M292-F363 HydrophobicContact CB-CE1 4.45Å; M292-F363 HydrophobicContact CB-CZ 4.16Å; M292-F363 HydrophobicContact CE-CD1 3.92Å; M292-F363 HydrophobicContact CE-CE1 3.64Å; M292-F363 HydrophobicContact CE-CZ 4.13Å; M292-F363 HydrophobicContact CG-CE1 3.54Å; M292-F363 HydrophobicContact CG-CZ 3.7Å; M292-F363 HydrophobicContact SD-CE1 4.07Å; D296-F363 HydrophobicContact CB-CD2 3.98Å; D296-F363 HydrophobicContact CB-CE2 3.51Å; D296-F363 HydrophobicContact CB-CZ 3.89Å; D296-F363 WeakPolarHBondContact OD1-CE2 3.39Å; V300-F363 HydrophobicContact CG2-CB 3.94Å; V300-F363 HydrophobicContact CG2-CD1 4.18Å; V300-F363 HydrophobicContact CG2-CG 4.1Å; S359-F363 WeakPolarHBondContact O-CB 3.24Å; S359-F363 PolarHBondContact O-N 3.14Å; F360-F363 WeakPolarHBondContact O-CB 3.45Å; F360-F363 PolarHBondContact O-N 3.15Å; F361-F363 VanDerWaalsContact C-N 3.3Å; F361-F363 PolarHBondContact O-N 2.88Å; F363-D365 VanDerWaalsContact C-N 3.3Å; F363-D365 PolarHBondContact O-N 3.41Å; F363-M366 PolarHBondContact O-N 3.15Å; F363-Q367 HydrophobicContact CE2-CB 4.44Å; F363-Q367 PolarHBondContact O-N 2.92Å
364	A	93.6	Very high	90.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-42.9	-178.9	0	0	0	0	0	111	K288 V290 F360 F361 Q367 M368	K288-A364 HydrophobicContact CB-CB 4.3Å; K288-A364 HydrophobicContact CD-CB 4.3Å; K288-A364 HydrophobicContact CG-CB 3.98Å; V290-A364 HydrophobicContact CG1-CB 4.14Å; F360-A364 HydrophobicContact CD1-CB 4.49Å; F360-A364 HydrophobicContact CE1-CB 4.18Å; F360-A364 PolarHBondContact O-N 3.3Å; F361-A364 PolarHBondContact O-N 3.07Å; A364-Q367 PolarHBondContact O-N 3.16Å; A364-M368 WeakPolarHBondContact O-CB 3.48Å; A364-M368 WeakPolarHBondContact O-CG 3.38Å; A364-M368 PolarHBondContact O-N 3.43Å
365	D	91.4	Very high	90	Very high	41 Å²	41	49.7 Å²	49.7	22%	0.219	27%	0.269	C	S	.	.	H	α-helix	trans	-64.9	-46.2	179	-69.7	-15.6	0	0	0	111.6	K288 F361 F363 Q367 M368 G369 L370	K288-D365 IonicContact NZ-OD1 2.73Å; K288-D365 PolarHBondContact NZ-OD1 3.13Å; F361-D365 WeakPolarHBondContact O-CB 3.48Å; F361-D365 PolarHBondContact O-N 3.46Å; F363-D365 VanDerWaalsContact C-N 3.3Å; F363-D365 PolarHBondContact O-N 3.41Å; D365-Q367 VanDerWaalsContact C-N 3.3Å; D365-Q367 PolarHBondContact O-N 2.91Å; D365-M368 PolarHBondContact O-N 3.08Å; D365-G369 PolarHBondContact O-N 3.27Å; D365-L370 HydrophobicContact CB-CB 3.91Å; D365-L370 PolarHBondContact O-N 2.93Å; D365-L370 WeakPolarHBondContact OD1-CD1 3.25Å
366	M	89.8	Confident	89.8	Confident	122 Å²	122	45.2 Å²	45.2	60%	0.601	26%	0.258	S	S	*	.	H	α-helix	trans	-57.6	-41.4	174	-75.6	-173.6	-67.7	0	0	112.6	N362 F363 G369	N362-M366 WeakPolarHBondContact O-CB 3.13Å; N362-M366 WeakPolarHBondContact O-CE 3.3Å; N362-M366 VanDerWaalsContact O-CG 3.3Å; N362-M366 WeakPolarHBondContact O-CG 3.2Å; N362-M366 PolarHBondContact O-N 2.88Å; F363-M366 PolarHBondContact O-N 3.15Å; M366-G369 PolarHBondContact O-N 3.4Å
367	Q	87.9	Confident	89.5	Confident	91 Å²	91	47.5 Å²	47.5	43%	0.425	27%	0.271	S	S	.	.	H	α-helix	trans	-71.5	-33	-179.9	-177.6	173	-5.4	0	0	112.8	V290 S291 F363 A364 D365 G369	V290-Q367 HydrophobicContact CG2-CB 4.37Å; V290-Q367 VanDerWaalsContact CG2-CD 3.43Å; V290-Q367 HydrophobicContact CG2-CG 4.19Å; S291-Q367 VanDerWaalsContact O-CD 3.28Å; S291-Q367 PolarHBondContact O-NE2 3.02Å; S291-Q367 PolarHBondContact O-OE1 2.94Å; F363-Q367 HydrophobicContact CE2-CB 4.44Å; F363-Q367 PolarHBondContact O-N 2.92Å; A364-Q367 PolarHBondContact O-N 3.16Å; D365-Q367 VanDerWaalsContact C-N 3.3Å; D365-Q367 PolarHBondContact O-N 2.91Å; Q367-G369 VanDerWaalsContact C-N 3.3Å
368	M	83.6	Confident	89	Confident	52 Å²	52	50.8 Å²	50.8	26%	0.256	29%	0.29	S	S	.	.	H	α-helix	trans	-84	-5.7	179.7	-67.6	179.1	72.7	0	0	113.2	A151 N187 K288 A364 D365 L370	A151-M368 WeakPolarHBondContact O-CE 3.19Å; N187-M368 HydrophobicContact CB-CE 3.95Å; K288-M368 HydrophobicContact CD-SD 3.74Å; A364-M368 WeakPolarHBondContact O-CB 3.48Å; A364-M368 WeakPolarHBondContact O-CG 3.38Å; A364-M368 PolarHBondContact O-N 3.43Å; D365-M368 PolarHBondContact O-N 3.08Å; M368-L370 HydrophobicContact CB-CD1 3.95Å; M368-L370 HydrophobicContact CB-CG 4.06Å; M368-L370 HydrophobicContact CE-CD1 4.48Å; M368-L370 HydrophobicContact SD-CD1 4.34Å
369	G	78.4	Confident	88.5	Confident	69 Å²	69	48.1 Å²	48.1	71%	0.711	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	36.6	-177.9	0	0	0	0	0	112.7	D365 M366 Q367	D365-G369 PolarHBondContact O-N 3.27Å; M366-G369 PolarHBondContact O-N 3.4Å; Q367-G369 VanDerWaalsContact C-N 3.3Å
370	L	61.7	Low	87.9	Confident	60 Å²	60	49.6 Å²	49.6	31%	0.314	28%	0.283	S	S	.	.			trans	-92.4	0	179.6	-75.9	172.5	0	0	0	113	T152 Q153 N189 D365 M368	T152-L370 VanDerWaalsContact C-CD2 3.41Å; T152-L370 VanDerWaalsContact CA-CD2 3.47Å; Q153-L370 HydrophobicContact CB-CD2 3.95Å; N189-L370 WeakPolarHBondContact OD1-CD1 3.44Å; D365-L370 HydrophobicContact CB-CB 3.91Å; D365-L370 PolarHBondContact O-N 2.93Å; D365-L370 WeakPolarHBondContact OD1-CD1 3.25Å; M368-L370 HydrophobicContact CB-CD1 3.95Å; M368-L370 HydrophobicContact CB-CG 4.06Å; M368-L370 HydrophobicContact CE-CD1 4.48Å; M368-L370 HydrophobicContact SD-CD1 4.34Å

Retrieved 370 of 370 residues in 453.9 ms (Link to these results)

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