A0A077YWR4_TRITR Loading...

HSP20 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YWR4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 189 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.5	Very low	38.2	Very low	246 Å²	246	162.4 Å²	162.4	100%	1.212	85%	0.851	S	S	*	*				0	140.2	0	-87.3	177.3	176.9	0	0	108
2	A	38.8	Very low	38.4	Very low	95 Å²	95	167.9 Å²	167.9	79%	0.785	85%	0.852	S	S	*	*			trans	89	85.8	175.5	0	0	0	0	0	117.9
3	Y	34.7	Very low	38.1	Very low	243 Å²	243	168 Å²	168	95%	0.953	86%	0.855	S	S	*	*			trans	-119.6	110.6	138.1	-84.3	-86.9	0	0	0	107.2
4	R	41.2	Very low	37.8	Very low	226 Å²	226	165.7 Å²	165.7	85%	0.853	85%	0.853	S	S	*	*			trans	-125.9	117.5	170	-95	-174.3	166.3	-173.8	-3	108.2
5	N	37.8	Very low	37.6	Very low	132 Å²	132	165.2 Å²	165.2	71%	0.706	85%	0.852	S	S	*	*			trans	66.7	101.7	142.7	-54.4	-19.5	0	0	0	118.8
6	I	45.3	Very low	37.2	Very low	163 Å²	163	170.2 Å²	170.2	84%	0.836	86%	0.856	S	S	*	*			trans	-129	73	146.1	-54.8	178.3	0	0	0	108.3
7	T	36.7	Very low	37.3	Very low	131 Å²	131	174.3 Å²	174.3	80%	0.804	86%	0.859	S	S	*	*			trans	-108.6	87.5	162.5	38.1	0	0	0	0	107.5
8	S	37.1	Very low	37.4	Very low	97 Å²	97	170.9 Å²	170.9	68%	0.678	85%	0.852	S	S	*	*			trans	-170.5	72.2	168	61.7	0	0	0	0	113.6
9	L	40.3	Very low	37.5	Very low	169 Å²	169	170.6 Å²	170.6	89%	0.885	85%	0.854	S	S	*	*			trans	-148	32.8	164.7	-90.8	-176.1	0	0	0	114.3
10	L	36.9	Very low	37.6	Very low	190 Å²	190	166.5 Å²	166.5	100%	0.995	85%	0.848	S	S	*	*			trans	-129.8	51.1	170.3	-69.4	176.5	0	0	0	112
11	S	39.1	Very low	37.4	Very low	94 Å²	94	170.4 Å²	170.4	66%	0.657	85%	0.852	S	S	*	*			trans	-123.5	130.4	162.9	76.6	0	0	0	0	107.5
12	R	40.4	Very low	37.8	Very low	229 Å²	229	165.3 Å²	165.3	86%	0.864	83%	0.828	S	S	*	*			trans	91.5	66.2	171.4	-49.3	169.3	-170.9	-125.9	1.4	116.3
13	L	35.2	Very low	37.7	Very low	169 Å²	169	168 Å²	168	89%	0.885	83%	0.828	S	S	*	*			trans	-137.5	87	143	-99.8	159	0	0	0	107.8	L15	L13-L15 PolarHBondContact O-N 3.11Å
14	T	33.9	Very low	37.9	Very low	136 Å²	136	162.9 Å²	162.9	83%	0.834	82%	0.816	S	S	*	*			trans	-76.1	101.1	172.4	44.5	0	0	0	0	108.8
15	L	34.2	Very low	37.7	Very low	158 Å²	158	157.5 Å²	157.5	83%	0.827	81%	0.81	S	S	*	*			trans	-123.7	83.6	169.4	-138	87.2	0	0	0	111.5	L13 R17	L13-L15 PolarHBondContact O-N 3.11Å; L15-R17 PolarHBondContact O-N 2.89Å
16	R	30.5	Very low	37.5	Very low	245 Å²	245	159.7 Å²	159.7	93%	0.925	82%	0.82	S	S	*	*			trans	18.5	92.9	134.8	-155.1	-179.1	-167.7	-162.6	3.2	117.1
17	R	39.7	Very low	37.1	Very low	240 Å²	240	162.2 Å²	162.2	91%	0.906	82%	0.82	S	S	*	*			trans	-146.9	140.4	144.3	-73.9	-156.1	176.9	-162.7	-0	111	L15	L15-R17 PolarHBondContact O-N 2.89Å
18	P	38.4	Very low	36.9	Very low	113 Å²	113	163.7 Å²	163.7	73%	0.734	82%	0.817	S	S	*	*			trans	-86	161.4	-172.5	35.7	-33	0	0	0	112.1
19	N	40.5	Very low	36.8	Very low	166 Å²	166	164.2 Å²	164.2	89%	0.888	82%	0.821	S	S	*	*	S	Bend	trans	83.3	54.5	171.2	-56.8	-10.5	0	0	0	118
20	A	39.9	Very low	36.8	Very low	88 Å²	88	160.8 Å²	160.8	73%	0.727	81%	0.811	S	S	*	*			trans	-157.7	107.8	144.1	0	0	0	0	0	108.9	I22	A20-I22 PolarHBondContact O-N 3.36Å
21	R	32.7	Very low	36.6	Very low	248 Å²	248	159 Å²	159	94%	0.936	80%	0.802	S	S	*	*			trans	-85	101.4	171.3	-82.6	178.2	137	166.9	-4.5	107.9
22	I	41.2	Very low	36.3	Very low	139 Å²	139	165.7 Å²	165.7	71%	0.713	81%	0.813	S	S	*	*			trans	-117.3	108.6	162	-57.7	179.5	0	0	0	107	A20 I24	A20-I22 PolarHBondContact O-N 3.36Å; I22-I24 HydrophobicContact CG2-CD1 4.25Å; I22-I24 HydrophobicContact CG2-CG1 3.8Å
23	I	35.9	Very low	36.9	Very low	153 Å²	153	163.7 Å²	163.7	79%	0.785	81%	0.805	S	S	*	*			trans	-85.5	112.3	174.6	-60	171	0	0	0	106
24	I	39.3	Very low	37.3	Very low	135 Å²	135	157.5 Å²	157.5	69%	0.692	78%	0.775	S	S	*	*			trans	-110.3	110.1	173.2	-52.6	179.3	0	0	0	107.7	I22 L26	I22-I24 HydrophobicContact CG2-CD1 4.25Å; I22-I24 HydrophobicContact CG2-CG1 3.8Å; I24-L26 PolarHBondContact O-N 3.36Å
25	P	35.9	Very low	38.2	Very low	113 Å²	113	155.8 Å²	155.8	73%	0.734	77%	0.769	S	S	*	*			trans	-72.2	128.4	177	27.9	-30.5	0	0	0	110.4	R27	P25-R27 PolarHBondContact O-N 2.93Å
26	L	34.4	Very low	38.5	Very low	177 Å²	177	156.6 Å²	156.6	93%	0.927	76%	0.761	S	S	*	*			trans	-72.9	100.2	165.5	-86.7	100.2	0	0	0	109.2	I24	I24-L26 PolarHBondContact O-N 3.36Å
27	R	37.4	Very low	39.1	Very low	216 Å²	216	152.5 Å²	152.5	82%	0.815	75%	0.746	S	S	*	*			trans	-161.5	116.6	150.9	-151.4	164.1	173.3	-126.9	-1.3	112.1	P25	P25-R27 PolarHBondContact O-N 2.93Å
28	Q	32.4	Very low	39.8	Very low	162 Å²	162	145.9 Å²	145.9	76%	0.757	73%	0.728	S	S	*	*			trans	36.6	128	133.9	-131.1	172.2	27.7	0	0	118.2
29	S	34.4	Very low	40.3	Very low	108 Å²	108	151.3 Å²	151.3	76%	0.755	73%	0.734	S	S	*	*			trans	86	135	165.8	75.9	0	0	0	0	116.9
30	S	41.2	Very low	40.6	Very low	97 Å²	97	145.8 Å²	145.8	68%	0.678	71%	0.709	S	S	*	*			trans	-20.2	155.9	161.9	49.3	0	0	0	0	116.4
31	L	31.1	Very low	40.7	Very low	152 Å²	152	147.2 Å²	147.2	80%	0.796	71%	0.71	S	S	*	*			trans	88.7	106.8	175.8	-45	163	0	0	0	110
32	W	34.8	Very low	41.3	Very low	236 Å²	236	142 Å²	142	89%	0.894	70%	0.699	S	S	*	*				-162.9	118.4	64.8	-89.3	73.7	0	0	0	109.2	P34	W32-P34 WeakPolarHBondContact O-CD 3.38Å
33	R	52.6	Low	41.7	Very low	186 Å²	186	138.2 Å²	138.2	70%	0.702	68%	0.684	S	S	*	*			trans	-87.6	115.1	160.3	-84.8	178.5	137.3	-108.4	0.8	106.9	S35 D38	R33-S35 PolarHBondContact O-N 2.8Å; R33-D38 IonicContact NH1-OD1 2.93Å; R33-D38 PolarHBondContact NH1-OD1 3.35Å; R33-D38 IonicContact NH1-OD2 3.95Å
34	P	43.9	Very low	42.4	Very low	40 Å²	40	137 Å²	137	26%	0.26	68%	0.679	S	S	.	*			trans	-64.5	125.8	174.8	-15.7	29.8	0	0	0	108.7	W32 W36 W37	W32-P34 WeakPolarHBondContact O-CD 3.38Å; P34-W36 VanDerWaalsContact CB-CD1 3.44Å; P34-W36 HydrophobicContact CB-CD2 4.23Å; P34-W36 HydrophobicContact CB-CG 4.14Å; P34-W36 HydrophobicContact CB-CZ2 4.26Å; P34-W36 HydrophobicContact CG-CZ2 4.41Å; P34-W36 PolarHBondContact O-N 2.76Å; P34-W37 WeakPolarHBondContact O-CB 3.44Å; P34-W37 PolarHBondContact O-N 3.34Å
35	S	52.8	Low	42.8	Very low	100 Å²	100	135.6 Å²	135.6	70%	0.699	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-60.2	-11.7	-174.5	57.8	0	0	0	0	114.5	R33 W37	R33-S35 PolarHBondContact O-N 2.8Å; S35-W37 VanDerWaalsContact C-N 3.3Å
36	W	38.9	Very low	43.5	Very low	174 Å²	174	131.2 Å²	131.2	66%	0.659	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-77.8	-9.2	173.3	58.4	-96.7	0	0	0	114.2	P34 D38	P34-W36 VanDerWaalsContact CB-CD1 3.44Å; P34-W36 HydrophobicContact CB-CD2 4.23Å; P34-W36 HydrophobicContact CB-CG 4.14Å; P34-W36 HydrophobicContact CB-CZ2 4.26Å; P34-W36 HydrophobicContact CG-CZ2 4.41Å; P34-W36 PolarHBondContact O-N 2.76Å; W36-D38 VanDerWaalsContact C-N 3.34Å
37	W	42.8	Very low	44.3	Very low	159 Å²	159	128.5 Å²	128.5	60%	0.602	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-79.4	-19.9	174.9	-69	42.5	0	0	0	112	P34 S35 R39	P34-W37 WeakPolarHBondContact O-CB 3.44Å; P34-W37 PolarHBondContact O-N 3.34Å; S35-W37 VanDerWaalsContact C-N 3.3Å; W37-R39 VanDerWaalsContact C-N 3.32Å
38	D	55.2	Low	45.2	Very low	102 Å²	102	122.6 Å²	122.6	55%	0.545	62%	0.618	S	S	.	*	G	3₁₀ helix	trans	-89.8	8	179	-65.9	-32.7	0	0	0	112.9	R33 W36	R33-D38 IonicContact NH1-OD1 2.93Å; R33-D38 PolarHBondContact NH1-OD1 3.35Å; R33-D38 IonicContact NH1-OD2 3.95Å; W36-D38 VanDerWaalsContact C-N 3.34Å
39	R	48.3	Very low	46.3	Very low	227 Å²	227	120.7 Å²	120.7	86%	0.857	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-124	16.9	-178.2	-93.5	-171.7	-171.6	-104.5	1.6	115.1	W37	W37-R39 VanDerWaalsContact C-N 3.32Å
40	S	47.6	Very low	47.2	Very low	50 Å²	50	119.9 Å²	119.9	35%	0.35	59%	0.592	S	S	.	*	S	Bend	trans	-95.3	140.7	174.6	-67.8	0	0	0	0	110.5	M42 S43	S40-M42 PolarHBondContact O-N 2.88Å; S40-S43 PolarHBondContact O-N 3Å; S40-S43 PolarHBondContact O-OG 3.28Å
41	P	42.5	Very low	48.3	Very low	117 Å²	117	120.3 Å²	120.3	76%	0.76	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	7.1	177.8	24.7	-32.1	0	0	0	114.4
42	M	44	Very low	49.7	Very low	140 Å²	140	117.5 Å²	117.5	69%	0.69	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-8.6	166.9	-70.8	-160.9	-97.6	0	0	113.8	S40 D44 I45 G46	S40-M42 PolarHBondContact O-N 2.88Å; M42-D44 VanDerWaalsContact C-N 3.31Å; M42-D44 PolarHBondContact O-N 3.35Å; M42-I45 PolarHBondContact O-N 3.12Å; M42-G46 PolarHBondContact O-N 2.8Å
43	S	50	Low	51	Low	59 Å²	59	109.9 Å²	109.9	41%	0.413	55%	0.546	S	S	.	.	H	α-helix	trans	-65.7	-30.5	176.7	54.1	0	0	0	0	113.4	S40 G46 H47	S40-S43 PolarHBondContact O-N 3Å; S40-S43 PolarHBondContact O-OG 3.28Å; S43-G46 PolarHBondContact O-N 2.79Å; S43-H47 PolarHBondContact O-CD2 3.16Å; S43-H47 PolarHBondContact O-N 3.28Å
44	D	49.9	Very low	51.7	Low	126 Å²	126	107.9 Å²	107.9	67%	0.674	54%	0.538	S	S	*	.	H	α-helix	trans	-80.1	-27.5	176.7	-72.7	-26.7	0	0	0	112.9	M42 G46 T48	M42-D44 VanDerWaalsContact C-N 3.31Å; M42-D44 PolarHBondContact O-N 3.35Å; D44-G46 VanDerWaalsContact C-N 3.26Å; D44-T48 PolarHBondContact O-OG1 3.14Å
45	I	48.5	Very low	52.8	Low	106 Å²	106	112.2 Å²	112.2	54%	0.544	55%	0.549	S	S	.	.	H	α-helix	trans	-72.3	-28.2	165.8	-60.3	171.3	0	0	0	109.4	M42 T48 F49	M42-I45 PolarHBondContact O-N 3.12Å; I45-T48 WeakPolarHBondContact CA-OG1 3.26Å; I45-T48 PolarHBondContact O-OG1 2.86Å; I45-F49 WeakPolarHBondContact O-CA 3.4Å; I45-F49 WeakPolarHBondContact O-CB 3.31Å; I45-F49 PolarHBondContact O-N 2.72Å
46	G	51.8	Low	53.5	Low	22 Å²	22	111.2 Å²	111.2	23%	0.227	54%	0.536	C	S	.	.	H	α-helix	trans	-62.8	-46.8	-179.8	0	0	0	0	0	114	M42 S43 D44 F49 E50	M42-G46 PolarHBondContact O-N 2.8Å; S43-G46 PolarHBondContact O-N 2.79Å; D44-G46 VanDerWaalsContact C-N 3.26Å; G46-F49 PolarHBondContact O-N 2.77Å; G46-E50 VanDerWaalsContact O-CB 3.25Å; G46-E50 WeakPolarHBondContact O-CB 3.48Å; G46-E50 VanDerWaalsContact O-CG 3.23Å; G46-E50 WeakPolarHBondContact O-CG 2.99Å; G46-E50 PolarHBondContact O-N 2.81Å
47	H	50.6	Low	54.5	Low	119 Å²	119	108.6 Å²	108.6	55%	0.551	53%	0.531	S	S	*	.	H	α-helix	trans	-77	-26.7	-177.8	-65	-56.2	0	0	0	113.8	S43 N51	S43-H47 PolarHBondContact O-CD2 3.16Å; S43-H47 PolarHBondContact O-N 3.28Å; H47-N51 PolarHBondContact O-N 3.5Å; H47-N51 PolarHBondContact O-ND2 2.82Å; H47-N51 VanDerWaalsContact O-ND2 3.15Å
48	T	56.6	Low	55.8	Low	92 Å²	92	108.5 Å²	108.5	56%	0.564	53%	0.53	S	S	*	.	H	α-helix	trans	-74.7	-42.5	170.4	49	0	0	0	0	110.6	D44 I45 E52	D44-T48 PolarHBondContact O-OG1 3.14Å; I45-T48 WeakPolarHBondContact CA-OG1 3.26Å; I45-T48 PolarHBondContact O-OG1 2.86Å; T48-E52 WeakPolarHBondContact O-CB 3.45Å; T48-E52 PolarHBondContact O-N 3.49Å; T48-E52 VanDerWaalsContact O-N 3.09Å
49	F	53.9	Low	56.2	Low	122 Å²	122	107.9 Å²	107.9	54%	0.535	52%	0.524	S	S	.	.	H	α-helix	trans	-68.9	-36.1	176.7	-164.4	-111.2	0	0	0	112.7	I45 G46 E52 L53	I45-F49 WeakPolarHBondContact O-CA 3.4Å; I45-F49 WeakPolarHBondContact O-CB 3.31Å; I45-F49 PolarHBondContact O-N 2.72Å; G46-F49 PolarHBondContact O-N 2.77Å; F49-E52 PolarHBondContact O-N 3.22Å; F49-L53 HydrophobicContact CD1-CD1 3.41Å; F49-L53 VanDerWaalsContact CD1-CD1 3.41Å; F49-L53 HydrophobicContact CD1-CG 3.77Å; F49-L53 HydrophobicContact CE1-CD1 3.34Å; F49-L53 HydrophobicContact CE1-CD2 3.99Å; F49-L53 HydrophobicContact CE1-CG 3.69Å; F49-L53 HydrophobicContact CG-CD1 4.34Å; F49-L53 HydrophobicContact CG-CG 4.27Å; F49-L53 HydrophobicContact CZ-CD1 4.2Å; F49-L53 HydrophobicContact CZ-CD2 4Å; F49-L53 HydrophobicContact CZ-CG 4.1Å; F49-L53 WeakPolarHBondContact O-CA 3.3Å; F49-L53 WeakPolarHBondContact O-CB 3.24Å; F49-L53 WeakPolarHBondContact O-CG 3.45Å; F49-L53 PolarHBondContact O-N 3.02Å
50	E	54.2	Low	56.9	Low	91 Å²	91	101.6 Å²	101.6	43%	0.425	51%	0.506	S	S	.	.	H	α-helix	trans	-68	-37.8	177.6	-82.5	178.7	-173.1	0	0	112.6	G46 R54	G46-E50 VanDerWaalsContact O-CB 3.25Å; G46-E50 WeakPolarHBondContact O-CB 3.48Å; G46-E50 VanDerWaalsContact O-CG 3.23Å; G46-E50 WeakPolarHBondContact O-CG 2.99Å; G46-E50 PolarHBondContact O-N 2.81Å; E50-R54 WeakPolarHBondContact O-CB 3.42Å; E50-R54 VanDerWaalsContact O-CG 3.23Å; E50-R54 WeakPolarHBondContact O-CG 3.22Å; E50-R54 PolarHBondContact O-N 2.82Å
51	N	64	Low	57.7	Low	107 Å²	107	103.7 Å²	103.7	57%	0.572	51%	0.513	S	S	*	.	H	α-helix	trans	-69.7	-41.2	175.4	-74.8	-29.8	0	0	0	111.2	H47 R54 R55	H47-N51 PolarHBondContact O-N 3.5Å; H47-N51 PolarHBondContact O-ND2 2.82Å; H47-N51 VanDerWaalsContact O-ND2 3.15Å; N51-R54 PolarHBondContact O-N 3.42Å; N51-R55 PolarHBondContact O-N 3.1Å
52	E	60.8	Low	58.9	Low	92 Å²	92	102.3 Å²	102.3	43%	0.43	50%	0.499	S	S	.	.	H	α-helix	trans	-67.8	-40.5	176	-151.1	62.8	-156.6	0	0	111.4	T48 F49 R54 R55 L56	T48-E52 WeakPolarHBondContact O-CB 3.45Å; T48-E52 PolarHBondContact O-N 3.49Å; T48-E52 VanDerWaalsContact O-N 3.09Å; F49-E52 PolarHBondContact O-N 3.22Å; E52-R54 PolarHBondContact O-N 2.88Å; E52-R55 WeakPolarHBondContact O-CB 3.4Å; E52-R55 PolarHBondContact O-N 2.81Å; E52-R55 IonicContact OE1-NH1 3.74Å; E52-L56 WeakPolarHBondContact O-CB 3.43Å; E52-L56 VanDerWaalsContact O-CG 3.28Å; E52-L56 WeakPolarHBondContact O-CG 3.38Å; E52-L56 PolarHBondContact O-N 2.81Å
53	L	62.1	Low	59.7	Low	77 Å²	77	98.3 Å²	98.3	40%	0.403	48%	0.483	S	S	.	.	H	α-helix	trans	-63.5	-40.2	173.2	-79.6	-178.9	0	0	0	111.8	F49 R55 L56 Q57	F49-L53 HydrophobicContact CD1-CD1 3.41Å; F49-L53 VanDerWaalsContact CD1-CD1 3.41Å; F49-L53 HydrophobicContact CD1-CG 3.77Å; F49-L53 HydrophobicContact CE1-CD1 3.34Å; F49-L53 HydrophobicContact CE1-CD2 3.99Å; F49-L53 HydrophobicContact CE1-CG 3.69Å; F49-L53 HydrophobicContact CG-CD1 4.34Å; F49-L53 HydrophobicContact CG-CG 4.27Å; F49-L53 HydrophobicContact CZ-CD1 4.2Å; F49-L53 HydrophobicContact CZ-CD2 4Å; F49-L53 HydrophobicContact CZ-CG 4.1Å; F49-L53 WeakPolarHBondContact O-CA 3.3Å; F49-L53 WeakPolarHBondContact O-CB 3.24Å; F49-L53 WeakPolarHBondContact O-CG 3.45Å; F49-L53 PolarHBondContact O-N 3.02Å; L53-R55 VanDerWaalsContact C-N 3.3Å; L53-R55 PolarHBondContact O-N 2.88Å; L53-L56 PolarHBondContact O-N 2.85Å; L53-Q57 WeakPolarHBondContact O-CA 3.44Å; L53-Q57 WeakPolarHBondContact O-CB 3.28Å; L53-Q57 PolarHBondContact O-N 2.74Å
54	R	66.5	Low	60.3	Low	144 Å²	144	100.9 Å²	100.9	54%	0.543	49%	0.486	S	S	.	.	H	α-helix	trans	-67.7	-32.1	175.9	-76.8	178.7	-156.2	-148.9	9	112.3	E50 N51 E52 R58	E50-R54 WeakPolarHBondContact O-CB 3.42Å; E50-R54 VanDerWaalsContact O-CG 3.23Å; E50-R54 WeakPolarHBondContact O-CG 3.22Å; E50-R54 PolarHBondContact O-N 2.82Å; N51-R54 PolarHBondContact O-N 3.42Å; E52-R54 PolarHBondContact O-N 2.88Å; R54-R58 WeakPolarHBondContact O-CG 3.43Å; R54-R58 PolarHBondContact O-N 2.97Å; R54-R58 PolarHBondContact O-NE 2.78Å
55	R	68.3	Low	60.8	Low	131 Å²	131	98.1 Å²	98.1	49%	0.494	48%	0.477	S	S	.	.	H	α-helix	trans	-69	-52	172.9	-179.1	-174.2	174.5	174.4	4.6	110.3	N51 E52 L53 Q57 R58 E59	N51-R55 PolarHBondContact O-N 3.1Å; E52-R55 WeakPolarHBondContact O-CB 3.4Å; E52-R55 PolarHBondContact O-N 2.81Å; E52-R55 IonicContact OE1-NH1 3.74Å; L53-R55 VanDerWaalsContact C-N 3.3Å; L53-R55 PolarHBondContact O-N 2.88Å; R55-Q57 VanDerWaalsContact C-N 3.27Å; R55-Q57 PolarHBondContact O-N 2.78Å; R55-R58 PolarHBondContact O-N 3.01Å; R55-R58 VanDerWaalsContact O-N 3.15Å; R55-E59 IonicContact NE-OE1 3.36Å; R55-E59 PolarHBondContact NE-OE1 2.78Å; R55-E59 IonicContact NH2-OE1 3.93Å; R55-E59 PolarHBondContact O-N 2.77Å
56	L	66.3	Low	61.4	Low	79 Å²	79	94 Å²	94	41%	0.414	46%	0.458	S	S	.	.	H	α-helix	trans	-58.8	-39.1	176	-73.2	170.5	0	0	0	111.5	E52 L53 E59 M60	E52-L56 WeakPolarHBondContact O-CB 3.43Å; E52-L56 VanDerWaalsContact O-CG 3.28Å; E52-L56 WeakPolarHBondContact O-CG 3.38Å; E52-L56 PolarHBondContact O-N 2.81Å; L53-L56 PolarHBondContact O-N 2.85Å; L56-E59 CarbonylContact O-C 3.5Å; L56-E59 PolarHBondContact O-N 3Å; L56-M60 VanDerWaalsContact O-CB 3.31Å; L56-M60 WeakPolarHBondContact O-CB 3.36Å; L56-M60 VanDerWaalsContact O-CG 3.24Å; L56-M60 WeakPolarHBondContact O-CG 3.38Å; L56-M60 PolarHBondContact O-N 2.86Å
57	Q	61.7	Low	61.5	Low	118 Å²	118	96.8 Å²	96.8	55%	0.551	46%	0.464	S	S	*	.	H	α-helix	trans	-65.6	-40.4	177.7	-174.3	172.9	-13.9	0	0	111.3	L53 R55 M60 D61	L53-Q57 WeakPolarHBondContact O-CA 3.44Å; L53-Q57 WeakPolarHBondContact O-CB 3.28Å; L53-Q57 PolarHBondContact O-N 2.74Å; R55-Q57 VanDerWaalsContact C-N 3.27Å; R55-Q57 PolarHBondContact O-N 2.78Å; Q57-M60 PolarHBondContact O-N 2.82Å; Q57-D61 WeakPolarHBondContact O-CB 3.35Å; Q57-D61 PolarHBondContact O-N 3.36Å
58	R	69.4	Low	61.7	Low	157 Å²	157	97.7 Å²	97.7	59%	0.592	47%	0.468	S	S	*	.	H	α-helix	trans	-65.4	-39.7	173	-78.5	-179.5	-106.1	141.6	-8.3	112.3	R54 R55 D61 N62	R54-R58 WeakPolarHBondContact O-CG 3.43Å; R54-R58 PolarHBondContact O-N 2.97Å; R54-R58 PolarHBondContact O-NE 2.78Å; R55-R58 PolarHBondContact O-N 3.01Å; R55-R58 VanDerWaalsContact O-N 3.15Å; R58-D61 PolarHBondContact O-N 2.76Å; R58-N62 VanDerWaalsContact O-CG 3.22Å; R58-N62 PolarHBondContact O-N 2.93Å; R58-N62 VanDerWaalsContact O-N 3.1Å; R58-N62 PolarHBondContact O-ND2 2.87Å; R58-N62 VanDerWaalsContact O-ND2 3.08Å
59	E	63.3	Low	61.8	Low	89 Å²	89	100.3 Å²	100.3	42%	0.416	47%	0.474	S	S	.	.	H	α-helix	trans	-65.4	-44.2	174.7	-71.2	174.9	-169.2	0	0	110.6	R55 L56 N62 V63	R55-E59 IonicContact NE-OE1 3.36Å; R55-E59 PolarHBondContact NE-OE1 2.78Å; R55-E59 IonicContact NH2-OE1 3.93Å; R55-E59 PolarHBondContact O-N 2.77Å; L56-E59 CarbonylContact O-C 3.5Å; L56-E59 PolarHBondContact O-N 3Å; E59-N62 PolarHBondContact O-N 2.97Å; E59-V63 VanDerWaalsContact O-CB 3.31Å; E59-V63 WeakPolarHBondContact O-CB 3.28Å; E59-V63 WeakPolarHBondContact O-CG2 3.26Å; E59-V63 PolarHBondContact O-N 3.32Å
60	M	62.9	Low	62.3	Low	96 Å²	96	96.3 Å²	96.3	47%	0.473	46%	0.455	S	S	.	.	H	α-helix	trans	-62.3	-41.4	174.3	-74.8	-164.8	76.8	0	0	112	L56 Q57 V63 F64 F76	L56-M60 VanDerWaalsContact O-CB 3.31Å; L56-M60 WeakPolarHBondContact O-CB 3.36Å; L56-M60 VanDerWaalsContact O-CG 3.24Å; L56-M60 WeakPolarHBondContact O-CG 3.38Å; L56-M60 PolarHBondContact O-N 2.86Å; Q57-M60 PolarHBondContact O-N 2.82Å; M60-V63 CarbonylContact O-C 3.58Å; M60-V63 PolarHBondContact O-N 2.89Å; M60-F64 WeakPolarHBondContact O-CB 3.37Å; M60-F64 PolarHBondContact O-N 2.83Å; M60-F76 HydrophobicContact CE-CE1 4.46Å; M60-F76 HydrophobicContact CE-CZ 3.94Å
61	D	65.5	Low	62.6	Low	94 Å²	94	97.2 Å²	97.2	50%	0.503	47%	0.469	S	S	.	.	H	α-helix	trans	-64	-42.1	177.7	-74.5	-23.5	0	0	0	111.3	Q57 R58 V63 F64 S65	Q57-D61 WeakPolarHBondContact O-CB 3.35Å; Q57-D61 PolarHBondContact O-N 3.36Å; R58-D61 PolarHBondContact O-N 2.76Å; D61-V63 VanDerWaalsContact C-N 3.31Å; D61-V63 PolarHBondContact O-N 2.89Å; D61-F64 PolarHBondContact O-N 2.85Å; D61-S65 PolarHBondContact O-N 2.81Å; D61-S65 PolarHBondContact O-OG 3Å
62	N	66	Low	62.4	Low	87 Å²	87	94.9 Å²	94.9	47%	0.465	45%	0.452	S	S	.	.	H	α-helix	trans	-64.8	-37	173.7	-65.6	-32.8	0	0	0	111.8	R58 E59 S65 S66	R58-N62 VanDerWaalsContact O-CG 3.22Å; R58-N62 PolarHBondContact O-N 2.93Å; R58-N62 VanDerWaalsContact O-N 3.1Å; R58-N62 PolarHBondContact O-ND2 2.87Å; R58-N62 VanDerWaalsContact O-ND2 3.08Å; E59-N62 PolarHBondContact O-N 2.97Å; N62-S65 WeakPolarHBondContact CA-OG 3.39Å; N62-S65 PolarHBondContact O-OG 3.47Å; N62-S66 PolarHBondContact O-N 3.49Å
63	V	62.4	Low	62.5	Low	57 Å²	57	91.2 Å²	91.2	35%	0.345	44%	0.435	S	S	.	.	H	α-helix	trans	-71.6	-36.4	176.9	168.2	0	0	0	0	110.8	E59 M60 D61 S66 F67 P75	E59-V63 VanDerWaalsContact O-CB 3.31Å; E59-V63 WeakPolarHBondContact O-CB 3.28Å; E59-V63 WeakPolarHBondContact O-CG2 3.26Å; E59-V63 PolarHBondContact O-N 3.32Å; M60-V63 CarbonylContact O-C 3.58Å; M60-V63 PolarHBondContact O-N 2.89Å; D61-V63 VanDerWaalsContact C-N 3.31Å; D61-V63 PolarHBondContact O-N 2.89Å; V63-S66 PolarHBondContact O-N 2.85Å; V63-S66 PolarHBondContact O-OG 2.71Å; V63-F67 PolarHBondContact O-N 3.2Å; V63-P75 HydrophobicContact CG1-CB 3.13Å; V63-P75 HydrophobicContact CG1-CG 3.52Å
64	F	62.4	Low	62.6	Low	112 Å²	112	91.1 Å²	91.1	49%	0.491	43%	0.434	S	S	.	.	H	α-helix	trans	-77.6	-27.9	179.3	-145.5	-95.2	0	0	0	112	M60 D61 S66 F67	M60-F64 WeakPolarHBondContact O-CB 3.37Å; M60-F64 PolarHBondContact O-N 2.83Å; D61-F64 PolarHBondContact O-N 2.85Å; F64-S66 VanDerWaalsContact C-N 3.3Å; F64-F67 VanDerWaalsContact O-CB 3.29Å; F64-F67 WeakPolarHBondContact O-CB 3.42Å; F64-F67 PolarHBondContact O-N 2.76Å
65	S	60.6	Low	62.2	Low	68 Å²	68	84.5 Å²	84.5	48%	0.476	41%	0.41	S	S	.	.	H	α-helix	trans	-64.5	-39.1	167.8	59.4	0	0	0	0	110.8	D61 N62 F67 H68	D61-S65 PolarHBondContact O-N 2.81Å; D61-S65 PolarHBondContact O-OG 3Å; N62-S65 WeakPolarHBondContact CA-OG 3.39Å; N62-S65 PolarHBondContact O-OG 3.47Å; S65-F67 PolarHBondContact O-N 2.78Å; S65-H68 PolarHBondContact O-N 2.88Å
66	S	59.7	Low	61.6	Low	21 Å²	21	83.2 Å²	83.2	15%	0.147	41%	0.408	C	S	.	.	H	α-helix	trans	-66.6	-20.2	174.6	76.3	0	0	0	0	113.8	N62 V63 F64 R70	N62-S66 PolarHBondContact O-N 3.49Å; V63-S66 PolarHBondContact O-N 2.85Å; V63-S66 PolarHBondContact O-OG 2.71Å; F64-S66 VanDerWaalsContact C-N 3.3Å; S66-R70 PolarHBondContact O-N 2.84Å
67	F	53.6	Low	61.4	Low	80 Å²	80	79.7 Å²	79.7	35%	0.351	39%	0.39	S	S	.	.	H	α-helix	trans	-69.1	-38.1	175.3	-179.2	-103.4	0	0	0	112.7	V63 F64 S65 E69 R70 P75	V63-F67 PolarHBondContact O-N 3.2Å; F64-F67 VanDerWaalsContact O-CB 3.29Å; F64-F67 WeakPolarHBondContact O-CB 3.42Å; F64-F67 PolarHBondContact O-N 2.76Å; S65-F67 PolarHBondContact O-N 2.78Å; F67-E69 VanDerWaalsContact C-N 3.31Å; F67-E69 PolarHBondContact O-N 3.19Å; F67-R70 CarbonylContact O-C 3.59Å; F67-R70 PolarHBondContact O-N 3.49Å; F67-P75 HydrophobicContact CB-CG 4.5Å
68	H	56.3	Low	61.2	Low	137 Å²	137	76.1 Å²	76.1	63%	0.634	38%	0.378	S	S	*	.	H	α-helix	trans	-69.4	-30.2	179.2	-80.3	78.8	0	0	0	112.6	S65 R70	S65-H68 PolarHBondContact O-N 2.88Å; H68-R70 VanDerWaalsContact C-N 3.33Å
69	E	57.2	Low	60.5	Low	147 Å²	147	76.7 Å²	76.7	69%	0.687	39%	0.385	S	S	*	.	H	α-helix	trans	-81.2	-16.7	177.9	-62.9	-171.7	176.1	0	0	112.9	F67	F67-E69 VanDerWaalsContact C-N 3.31Å; F67-E69 PolarHBondContact O-N 3.19Å
70	R	64.5	Low	60.4	Low	39 Å²	39	79.4 Å²	79.4	15%	0.147	39%	0.392	C	S	.	.			trans	-136.8	72.9	-174.5	-58.8	-177.4	176.7	178.5	-3.4	111	S66 F67 H68 W72 Y73	S66-R70 PolarHBondContact O-N 2.84Å; F67-R70 CarbonylContact O-C 3.59Å; F67-R70 PolarHBondContact O-N 3.49Å; H68-R70 VanDerWaalsContact C-N 3.33Å; R70-W72 HydrophobicContact CB-CZ2 4.38Å; R70-W72 HydrophobicContact CG-CZ2 4.29Å; R70-W72 PolarHBondContact O-N 2.89Å; R70-Y73 PolarHBondContact O-N 3.07Å
71	P	61.6	Low	60.3	Low	110 Å²	110	80.1 Å²	80.1	71%	0.714	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-19.3	-177.8	21.7	-32.6	0	0	0	113.8
72	W	60	Low	59.9	Low	57 Å²	57	78.9 Å²	78.9	22%	0.216	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-16.1	176.7	55.7	-88.2	0	0	0	113.4	R70 R107 K109	R70-W72 HydrophobicContact CB-CZ2 4.38Å; R70-W72 HydrophobicContact CG-CZ2 4.29Å; R70-W72 PolarHBondContact O-N 2.89Å; W72-R107 WeakPolarHBondContact CZ3-O 3.34Å; W72-K109 HydrophobicContact CD2-CG 3.84Å; W72-K109 HydrophobicContact CE3-CG 4.18Å; W72-K109 HydrophobicContact CH2-CB 4.44Å; W72-K109 HydrophobicContact CH2-CD 4.39Å; W72-K109 HydrophobicContact CH2-CG 3.41Å; W72-K109 VanDerWaalsContact CH2-CG 3.41Å; W72-K109 HydrophobicContact CZ2-CD 3.81Å; W72-K109 HydrophobicContact CZ2-CG 3.18Å; W72-K109 HydrophobicContact CZ3-CG 3.97Å
73	Y	62.6	Low	59.5	Low	16 Å²	16	80.5 Å²	80.5	6%	0.063	40%	0.398	C	S	.	.			trans	-105.1	111.2	-178.4	-177.7	-106.6	0	0	0	110.2	R70 P75 S78 R107 Y139	R70-Y73 PolarHBondContact O-N 3.07Å; Y73-P75 HydrophobicContact CE1-CB 4.34Å; Y73-P75 WeakPolarHBondContact O-CD 3.01Å; Y73-S78 PolarHBondContact OH-OG 2.98Å; Y73-R107 HydrophobicContact CE2-CB 4.46Å; Y73-R107 HydrophobicContact CE2-CG 4.36Å; Y73-Y139 PolarHBondContact OH-OH 2.81Å
74	N	64.1	Low	59	Low	75 Å²	75	84.3 Å²	84.3	40%	0.401	41%	0.413	S	S	.	.			trans	-83.5	117.6	168.6	-177.3	-14.6	0	0	0	108.2	F76 S77	N74-F76 PolarHBondContact O-N 2.88Å; N74-F76 VanDerWaalsContact O-N 3.13Å; N74-F76 WeakPolarHBondContact OD1-CB 3.31Å; N74-F76 VanDerWaalsContact OD1-CD2 3.3Å; N74-F76 WeakPolarHBondContact OD1-CD2 3.16Å; N74-F76 PolarHBondContact OD1-N 2.72Å; N74-S77 WeakPolarHBondContact O-CA 3.45Å; N74-S77 WeakPolarHBondContact O-CB 3.41Å; N74-S77 PolarHBondContact O-N 3.44Å; N74-S77 PolarHBondContact O-OG 3.36Å
75	P	57.6	Low	58.5	Low	5 Å²	5	81.6 Å²	81.6	3%	0.032	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-61.3	-25.2	179.5	19.7	-29.7	0	0	0	113.8	V63 F67 Y73 S77 S78	V63-P75 HydrophobicContact CG1-CB 3.13Å; V63-P75 HydrophobicContact CG1-CG 3.52Å; F67-P75 HydrophobicContact CB-CG 4.5Å; Y73-P75 HydrophobicContact CE1-CB 4.34Å; Y73-P75 WeakPolarHBondContact O-CD 3.01Å; P75-S77 PolarHBondContact O-N 3.2Å; P75-S78 WeakPolarHBondContact O-CB 3.36Å; P75-S78 PolarHBondContact O-N 2.71Å; P75-S78 VanDerWaalsContact O-N 3.16Å; P75-S78 PolarHBondContact O-OG 2.79Å
76	F	56.7	Low	58.5	Low	104 Å²	104	80.6 Å²	80.6	46%	0.456	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-65.8	-18.5	170.6	-63.7	-72.9	0	0	0	112.9	M60 N74 S78 F79 R80	M60-F76 HydrophobicContact CE-CE1 4.46Å; M60-F76 HydrophobicContact CE-CZ 3.94Å; N74-F76 PolarHBondContact O-N 2.88Å; N74-F76 VanDerWaalsContact O-N 3.13Å; N74-F76 WeakPolarHBondContact OD1-CB 3.31Å; N74-F76 VanDerWaalsContact OD1-CD2 3.3Å; N74-F76 WeakPolarHBondContact OD1-CD2 3.16Å; N74-F76 PolarHBondContact OD1-N 2.72Å; F76-S78 VanDerWaalsContact C-N 3.26Å; F76-S78 PolarHBondContact O-N 3.39Å; F76-F79 PolarHBondContact O-N 2.8Å; F76-R80 PolarHBondContact O-N 2.96Å
77	S	61.5	Low	58.8	Low	5 Å²	5	84.3 Å²	84.3	4%	0.035	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-68.7	-22.6	173.7	77	0	0	0	0	113.1	N74 P75 F79 R80 R107	N74-S77 WeakPolarHBondContact O-CA 3.45Å; N74-S77 WeakPolarHBondContact O-CB 3.41Å; N74-S77 PolarHBondContact O-N 3.44Å; N74-S77 PolarHBondContact O-OG 3.36Å; P75-S77 PolarHBondContact O-N 3.2Å; S77-F79 PolarHBondContact O-N 3.47Å; S77-R80 PolarHBondContact O-N 3.02Å; S77-R107 PolarHBondContact O-NE 3.25Å; S77-R107 PolarHBondContact O-NH2 3.45Å
78	S	57.6	Low	60	Low	43 Å²	43	85 Å²	85	30%	0.301	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-63.1	-34.5	172.6	-26.7	0	0	0	0	111.2	Y73 P75 F76 R107	Y73-S78 PolarHBondContact OH-OG 2.98Å; P75-S78 WeakPolarHBondContact O-CB 3.36Å; P75-S78 PolarHBondContact O-N 2.71Å; P75-S78 VanDerWaalsContact O-N 3.16Å; P75-S78 PolarHBondContact O-OG 2.79Å; F76-S78 VanDerWaalsContact C-N 3.26Å; F76-S78 PolarHBondContact O-N 3.39Å; S78-R107 PolarHBondContact O-NH2 2.7Å
79	F	54.8	Low	61.3	Low	168 Å²	168	81.7 Å²	81.7	74%	0.737	40%	0.404	S	S	*	.	S	Bend	trans	-84.8	-12.7	178.7	-62.1	-69.3	0	0	0	113.6	F76 S77	F76-F79 PolarHBondContact O-N 2.8Å; S77-F79 PolarHBondContact O-N 3.47Å
80	R	60.5	Low	62.7	Low	146 Å²	146	78.9 Å²	78.9	55%	0.551	39%	0.393	S	S	*	.	S	Bend	trans	-84.7	126.2	174.8	-68.3	-173.5	178.5	-168	-1.7	108.7	F76 S77 F82 R107	F76-R80 PolarHBondContact O-N 2.96Å; S77-R80 PolarHBondContact O-N 3.02Å; R80-F82 PolarHBondContact O-N 3.29Å; R80-R107 PolarHBondContact O-NH2 3.13Å
81	P	60.8	Low	63.7	Low	111 Å²	111	78.6 Å²	78.6	72%	0.721	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-50.5	140.9	164.4	-21.1	31.5	0	0	0	108.6	H83	P81-H83 PolarHBondContact O-N 2.94Å; P81-H83 VanDerWaalsContact O-N 3.1Å
82	F	58.2	Low	65	Low	68 Å²	68	79.7 Å²	79.7	30%	0.298	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-53.4	125.1	167.1	-86	-78.6	0	0	0	106.9	R80 E84 D104 R107 F108 Y141	R80-F82 PolarHBondContact O-N 3.29Å; F82-E84 PolarHBondContact O-N 2.95Å; F82-D104 HydrophobicContact CD1-CB 4.41Å; F82-R107 HydrophobicContact CE1-CG 4.34Å; F82-R107 HydrophobicContact CZ-CB 4.26Å; F82-R107 VanDerWaalsContact CZ-CD 3.5Å; F82-R107 HydrophobicContact CZ-CG 3.95Å; F82-F108 HydrophobicContact CE1-CE2 4.42Å; F82-F108 HydrophobicContact CZ-CE2 4.11Å; F82-Y141 HydrophobicContact CE1-CD2 4.35Å
83	H	57.1	Low	66.2	Low	121 Å²	121	81 Å²	81	56%	0.56	40%	0.401	S	S	*	.			trans	-72	105.3	175.4	-157.1	-99.5	0	0	0	106.1	P81 S85 D104	P81-H83 PolarHBondContact O-N 2.94Å; P81-H83 VanDerWaalsContact O-N 3.1Å; H83-S85 VanDerWaalsContact CE1-CB 3.41Å; H83-S85 WeakPolarHBondContact CE1-CB 3.35Å; H83-S85 PolarHBondContact CE1-OG 2.79Å; H83-S85 WeakPolarHBondContact ND1-CB 3.4Å; H83-S85 PolarHBondContact ND1-OG 2.74Å; H83-S85 PolarHBondContact O-N 2.83Å; H83-D104 PolarHBondContact N-OD2 3.37Å
84	E	51.1	Low	67.2	Low	138 Å²	138	87.7 Å²	87.7	65%	0.645	44%	0.437	S	S	*	.			trans	-68.3	-10.1	-179	-179.5	154.4	-136.7	0	0	112.2	F82 E86 R143	F82-E84 PolarHBondContact O-N 2.95Å; E84-E86 VanDerWaalsContact C-N 3.31Å; E84-E86 PolarHBondContact O-N 2.8Å; E84-R143 IonicContact OE1-CZ 3.82Å; E84-R143 IonicContact OE1-NH1 2.76Å; E84-R143 IonicContact OE1-NH2 3.71Å; E84-R143 PolarHBondContact OE1-NH2 3.27Å
85	S	52.1	Low	68.2	Low	55 Å²	55	86.9 Å²	86.9	39%	0.385	45%	0.447	S	S	.	.			trans	-69.7	94	177.7	91	0	0	0	0	110.7	H83 E87	H83-S85 VanDerWaalsContact CE1-CB 3.41Å; H83-S85 WeakPolarHBondContact CE1-CB 3.35Å; H83-S85 PolarHBondContact CE1-OG 2.79Å; H83-S85 WeakPolarHBondContact ND1-CB 3.4Å; H83-S85 PolarHBondContact ND1-OG 2.74Å; H83-S85 PolarHBondContact O-N 2.83Å; S85-E87 VanDerWaalsContact C-N 3.31Å; S85-E87 PolarHBondContact O-N 2.89Å
86	E	62	Low	69.6	Low	47 Å²	47	90.2 Å²	90.2	22%	0.22	47%	0.467	C	S	.	.			trans	-58	98.6	151.2	-62.4	172.3	-167.4	0	0	106.2	E84 Q88 F103 R143	E84-E86 VanDerWaalsContact C-N 3.31Å; E84-E86 PolarHBondContact O-N 2.8Å; E86-Q88 VanDerWaalsContact C-N 3.33Å; E86-Q88 HydrophobicContact CB-CG 4.19Å; E86-Q88 PolarHBondContact O-N 2.88Å; E86-Q88 PolarHBondContact OE2-NE2 3.1Å; E86-F103 HydrophobicContact CG-CD1 4.11Å; E86-F103 HydrophobicContact CG-CE1 3.85Å; E86-R143 WeakPolarHBondContact OE1-CD 3.28Å; E86-R143 IonicContact OE1-CZ 3.61Å; E86-R143 IonicContact OE1-NE 2.93Å; E86-R143 IonicContact OE1-NH1 3.53Å; E86-R143 PolarHBondContact OE1-NH1 3.28Å
87	E	66.3	Low	71.2	Confident	98 Å²	98	89.5 Å²	89.5	46%	0.458	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	98.7	169	-72.4	175.3	171.7	0	0	106.2	S85 L101 K102	S85-E87 VanDerWaalsContact C-N 3.31Å; S85-E87 PolarHBondContact O-N 2.89Å; E87-L101 WeakPolarHBondContact O-CA 3.3Å; E87-K102 HydrophobicContact CB-CB 4.29Å; E87-K102 PolarHBondContact O-N 3.37Å; E87-K102 VanDerWaalsContact OE2-CD 3.32Å; E87-K102 WeakPolarHBondContact OE2-CD 3.49Å; E87-K102 IonicContact OE2-NZ 2.62Å; E87-K102 PolarHBondContact OE2-NZ 2.82Å
88	Q	77.2	Confident	72.7	Confident	94 Å²	94	91.8 Å²	91.8	44%	0.439	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	114.3	173.2	-51	-176.5	-1	0	0	107.7	E86 L101 F145	E86-Q88 VanDerWaalsContact C-N 3.33Å; E86-Q88 HydrophobicContact CB-CG 4.19Å; E86-Q88 PolarHBondContact O-N 2.88Å; E86-Q88 PolarHBondContact OE2-NE2 3.1Å; Q88-L101 HydrophobicContact CB-CD2 3.91Å; Q88-L101 HydrophobicContact CG-CD2 3.62Å; Q88-F145 HydrophobicContact CG-CE2 4.34Å
89	T	84.4	Confident	74.3	Confident	69 Å²	69	90 Å²	90	42%	0.423	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	131.3	179.6	-47.4	0	0	0	0	109	C91 R100	T89-C91 WeakPolarHBondContact CG2-SG 3.45Å; T89-R100 PolarHBondContact N-O 3.3Å; T89-R100 PolarHBondContact O-N 3.36Å
90	I	85.8	Confident	76.1	Confident	88 Å²	88	85.5 Å²	85.5	45%	0.451	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	109.4	161.4	-62	167.6	0	0	0	105.6	K97 K98 Y172	I90-K97 HydrophobicContact CG2-CB 4.34Å; I90-K98 CarbonylContact C-O 3.26Å; I90-K98 WeakPolarHBondContact CA-O 3.46Å; I90-Y172 HydrophobicContact CD1-CD1 4.1Å; I90-Y172 HydrophobicContact CD1-CE1 3.71Å; I90-Y172 HydrophobicContact CG1-CD1 4.35Å; I90-Y172 HydrophobicContact CG1-CE1 4.45Å; I90-Y172 HydrophobicContact CG2-CD1 3.67Å; I90-Y172 HydrophobicContact CG2-CE1 4.12Å; I90-Y172 HydrophobicContact CG2-CG 4.49Å
91	C	87.2	Confident	77.6	Confident	33 Å²	33	78.5 Å²	78.5	22%	0.223	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	154.2	176.6	-61.1	0	0	0	0	109.5	T89 K97 K98	T89-C91 WeakPolarHBondContact CG2-SG 3.45Å; C91-K97 CarbonylContact O-C 3.5Å; C91-K97 WeakPolarHBondContact O-CA 3.46Å; C91-K98 PolarHBondContact N-O 3.42Å; C91-K98 PolarHBondContact O-N 3.43Å
92	E	87.2	Confident	79.1	Confident	132 Å²	132	76.1 Å²	76.1	62%	0.617	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	124.1	170.6	-168.7	170.7	160.3	0	0	108.4	K97	E92-K97 HydrophobicContact CB-CG 4.48Å; E92-K97 HydrophobicContact CG-CG 4.3Å
93	E	85.3	Confident	80.7	Confident	86 Å²	86	73 Å²	73	40%	0.402	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	125.9	-179.2	-170.3	177.3	-146.1	0	0	107.6	G95 V96 K98 R100	E93-G95 PolarHBondContact O-N 3.18Å; E93-V96 PolarHBondContact N-O 3.16Å; E93-V96 PolarHBondContact O-N 2.82Å; E93-V96 VanDerWaalsContact O-O 3.13Å; E93-K98 IonicContact OE2-NZ 2.82Å; E93-K98 PolarHBondContact OE2-NZ 3.24Å; E93-R100 IonicContact OE2-NH2 3.57Å
94	D	84.7	Confident	82.2	Confident	155 Å²	155	67.7 Å²	67.7	83%	0.829	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	31.8	-176.3	-54.8	-43.5	0	0	0	114.6	V96	D94-V96 PolarHBondContact O-N 3.5Å
95	G	84.4	Confident	84.1	Confident	59 Å²	59	61.1 Å²	61.1	61%	0.608	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	5.7	-177.5	0	0	0	0	0	114.3	E93	E93-G95 PolarHBondContact O-N 3.18Å
96	V	86.6	Confident	85.7	Confident	74 Å²	74	60.1 Å²	60.1	45%	0.448	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	123.7	174.4	-177.3	0	0	0	0	108.8	E93 D94 K98	E93-V96 PolarHBondContact N-O 3.16Å; E93-V96 PolarHBondContact O-N 2.82Å; E93-V96 VanDerWaalsContact O-O 3.13Å; D94-V96 PolarHBondContact O-N 3.5Å; V96-K98 HydrophobicContact CG1-CG 4.44Å
97	K	90.6	Very high	86.8	Confident	89 Å²	89	59.3 Å²	59.3	39%	0.387	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	135.6	171.3	-65.7	-178.5	-178.1	-178.9	0	109.2	I90 C91 E92 Y172	I90-K97 HydrophobicContact CG2-CB 4.34Å; C91-K97 CarbonylContact O-C 3.5Å; C91-K97 WeakPolarHBondContact O-CA 3.46Å; E92-K97 HydrophobicContact CB-CG 4.48Å; E92-K97 HydrophobicContact CG-CG 4.3Å; K97-Y172 HydrophobicContact CB-CD1 4.06Å; K97-Y172 WeakPolarHBondContact CB-O 3.23Å; K97-Y172 HydrophobicContact CD-CD1 4.45Å; K97-Y172 PolarHBondContact O-N 3.43Å
98	K	92.5	Very high	87.9	Confident	53 Å²	53	54.7 Å²	54.7	23%	0.23	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.5	180	-61.6	179.7	-170.8	170.2	0	109.4	I90 C91 E93 V96 A170	I90-K98 CarbonylContact C-O 3.26Å; I90-K98 WeakPolarHBondContact CA-O 3.46Å; C91-K98 PolarHBondContact N-O 3.42Å; C91-K98 PolarHBondContact O-N 3.43Å; E93-K98 IonicContact OE2-NZ 2.82Å; E93-K98 PolarHBondContact OE2-NZ 3.24Å; V96-K98 HydrophobicContact CG1-CG 4.44Å; K98-A170 CarbonylContact C-O 3.58Å; K98-A170 VanDerWaalsContact CA-O 3.28Å; K98-A170 WeakPolarHBondContact CA-O 3.49Å
99	L	92.5	Very high	88.4	Confident	7 Å²	7	53.9 Å²	53.9	4%	0.037	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	130	162.4	178.2	68.4	0	0	0	108.2	L101 F145 L147 P148 V151 E169 A170	L99-L101 HydrophobicContact CD1-CD2 3.96Å; L99-L101 HydrophobicContact CD1-CG 4.43Å; L99-L101 HydrophobicContact CD2-CD1 4.16Å; L99-L101 HydrophobicContact CD2-CD2 4.36Å; L99-L101 HydrophobicContact CD2-CG 4.19Å; L99-L101 HydrophobicContact CG-CD2 4.2Å; L99-L101 HydrophobicContact CG-CG 4.12Å; L99-F145 HydrophobicContact CD2-CE1 4.08Å; L99-L147 HydrophobicContact CD2-CD2 3.95Å; L99-P148 HydrophobicContact CD1-CG 4.45Å; L99-P148 HydrophobicContact CD2-CG 4.34Å; L99-V151 HydrophobicContact CB-CG2 4.07Å; L99-V151 HydrophobicContact CD2-CG1 4.46Å; L99-V151 HydrophobicContact CD2-CG2 4.05Å; L99-E169 VanDerWaalsContact O-CA 3.26Å; L99-E169 WeakPolarHBondContact O-CA 3.33Å; L99-A170 PolarHBondContact N-O 3.33Å; L99-A170 PolarHBondContact O-N 2.62Å
100	R	92.8	Very high	88.7	Confident	72 Å²	72	53.3 Å²	53.3	27%	0.272	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	123	172	-176.6	176.3	-72.6	157.4	0.5	108.9	T89 E93 L167 E169	T89-R100 PolarHBondContact N-O 3.3Å; T89-R100 PolarHBondContact O-N 3.36Å; E93-R100 IonicContact OE2-NH2 3.57Å; R100-L167 HydrophobicContact CG-CD1 3.75Å; R100-L167 HydrophobicContact CG-CD2 4.39Å; R100-L167 HydrophobicContact CG-CG 4.21Å; R100-E169 HydrophobicContact CB-CG 4.4Å; R100-E169 HydrophobicContact CG-CG 4.14Å; R100-E169 IonicContact CZ-OE1 3.19Å; R100-E169 IonicContact NE-OE1 2.71Å; R100-E169 PolarHBondContact NE-OE1 3.22Å; R100-E169 IonicContact NH2-OE1 2.74Å; R100-E169 PolarHBondContact NH2-OE1 2.77Å
101	L	92.1	Very high	88.9	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	144.4	175.1	-49.5	169.4	0	0	0	108.8	E87 Q88 L99 F103 L122 F145 L167 V168	E87-L101 WeakPolarHBondContact O-CA 3.3Å; Q88-L101 HydrophobicContact CB-CD2 3.91Å; Q88-L101 HydrophobicContact CG-CD2 3.62Å; L99-L101 HydrophobicContact CD1-CD2 3.96Å; L99-L101 HydrophobicContact CD1-CG 4.43Å; L99-L101 HydrophobicContact CD2-CD1 4.16Å; L99-L101 HydrophobicContact CD2-CD2 4.36Å; L99-L101 HydrophobicContact CD2-CG 4.19Å; L99-L101 HydrophobicContact CG-CD2 4.2Å; L99-L101 HydrophobicContact CG-CG 4.12Å; L101-F103 HydrophobicContact CB-CD2 4.43Å; L101-F103 HydrophobicContact CB-CE2 3.59Å; L101-F103 HydrophobicContact CB-CZ 4.04Å; L101-F103 HydrophobicContact CD1-CE2 4.13Å; L101-F103 HydrophobicContact CD1-CZ 4.16Å; L101-L122 HydrophobicContact CD1-CD2 3.79Å; L101-F145 HydrophobicContact CD1-CD1 3.41Å; L101-F145 VanDerWaalsContact CD1-CD1 3.41Å; L101-F145 HydrophobicContact CD1-CE1 3.66Å; L101-F145 HydrophobicContact CD1-CG 4.06Å; L101-F145 HydrophobicContact CD2-CD1 4.22Å; L101-F145 HydrophobicContact CD2-CE1 3.82Å; L101-F145 HydrophobicContact CD2-CE2 4.39Å; L101-F145 HydrophobicContact CD2-CZ 3.9Å; L101-F145 HydrophobicContact CG-CD1 4.47Å; L101-F145 HydrophobicContact CG-CE1 4.35Å; L101-L167 WeakPolarHBondContact O-CA 3.41Å; L101-V168 HydrophobicContact CB-CB 4.19Å; L101-V168 HydrophobicContact CD1-CB 4.46Å; L101-V168 HydrophobicContact CD1-CG1 4.49Å; L101-V168 PolarHBondContact N-O 2.83Å; L101-V168 PolarHBondContact O-N 3.35Å
102	K	91.8	Very high	89.2	Confident	61 Å²	61	58 Å²	58	27%	0.265	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	125.1	178.4	-171.3	-177.9	175	-173.8	0	110.5	E87 Y165 L166 L167	E87-K102 HydrophobicContact CB-CB 4.29Å; E87-K102 PolarHBondContact O-N 3.37Å; E87-K102 VanDerWaalsContact OE2-CD 3.32Å; E87-K102 WeakPolarHBondContact OE2-CD 3.49Å; E87-K102 IonicContact OE2-NZ 2.62Å; E87-K102 PolarHBondContact OE2-NZ 2.82Å; K102-Y165 HydrophobicContact CD-CD1 4.39Å; K102-Y165 HydrophobicContact CD-CG 4.47Å; K102-Y165 HydrophobicContact CG-CD1 4.12Å; K102-Y165 HydrophobicContact CG-CG 4.25Å; K102-L166 WeakPolarHBondContact CA-O 3.47Å; K102-L167 HydrophobicContact CB-CD1 4.12Å; K102-L167 HydrophobicContact CG-CD1 4.3Å
103	F	91.2	Very high	89.5	Confident	3 Å²	3	53 Å²	53	1%	0.013	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134.7	-179.4	-58.7	-85.7	0	0	0	110.8	E86 L101 V105 L122 I124 R143 F145 Y165 L166 V168	E86-F103 HydrophobicContact CG-CD1 4.11Å; E86-F103 HydrophobicContact CG-CE1 3.85Å; L101-F103 HydrophobicContact CB-CD2 4.43Å; L101-F103 HydrophobicContact CB-CE2 3.59Å; L101-F103 HydrophobicContact CB-CZ 4.04Å; L101-F103 HydrophobicContact CD1-CE2 4.13Å; L101-F103 HydrophobicContact CD1-CZ 4.16Å; F103-V105 PolarHBondContact O-N 3Å; F103-L122 HydrophobicContact CE2-CD2 4.29Å; F103-L122 HydrophobicContact CZ-CD2 4.43Å; F103-I124 HydrophobicContact CB-CD1 4.31Å; F103-I124 HydrophobicContact CD1-CD1 3.79Å; F103-I124 HydrophobicContact CD2-CD1 3.2Å; F103-I124 HydrophobicContact CE1-CD1 3.82Å; F103-I124 HydrophobicContact CE2-CD1 3.24Å; F103-I124 HydrophobicContact CG-CD1 3.49Å; F103-I124 VanDerWaalsContact CG-CD1 3.49Å; F103-I124 HydrophobicContact CZ-CD1 3.55Å; F103-R143 HydrophobicContact CD1-CB 4.47Å; F103-R143 HydrophobicContact CE1-CB 4.37Å; F103-F145 HydrophobicContact CZ-CB 4.49Å; F103-Y165 CarbonylContact O-C 3.52Å; F103-Y165 VanDerWaalsContact O-CA 3.27Å; F103-Y165 WeakPolarHBondContact O-CA 3.48Å; F103-L166 HydrophobicContact CB-CB 4.33Å; F103-L166 PolarHBondContact N-O 3.15Å; F103-L166 PolarHBondContact O-N 3.25Å; F103-V168 HydrophobicContact CD2-CG2 4.01Å; F103-V168 HydrophobicContact CE2-CB 4.39Å; F103-V168 HydrophobicContact CE2-CG2 3.89Å
104	D	88.9	Confident	90	Very high	8 Å²	8	51.1 Å²	51.1	4%	0.043	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	109.3	175.3	-175.3	-7.3	0	0	0	110.4	F82 H83 R106 Y165	F82-D104 HydrophobicContact CD1-CB 4.41Å; H83-D104 PolarHBondContact N-OD2 3.37Å; D104-R106 WeakPolarHBondContact OD1-CB 3.36Å; D104-R106 VanDerWaalsContact OD1-CG 3.27Å; D104-R106 WeakPolarHBondContact OD1-CG 3.32Å; D104-R106 IonicContact OD1-CZ 2.76Å; D104-R106 PolarHBondContact OD1-N 2.82Å; D104-R106 IonicContact OD1-NE 3.19Å; D104-R106 PolarHBondContact OD1-NE 2.73Å; D104-R106 IonicContact OD1-NH2 2.78Å; D104-R106 IonicContact OD2-CZ 3.2Å; D104-R106 IonicContact OD2-NE 3.89Å; D104-R106 PolarHBondContact OD2-NE 2.58Å; D104-R106 IonicContact OD2-NH2 3.55Å; D104-R106 PolarHBondContact OD2-NH2 3.47Å; D104-Y165 HydrophobicContact CB-CD1 4.24Å; D104-Y165 HydrophobicContact CB-CE1 4.1Å
105	V	90.1	Very high	90.5	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.24	C	C	.	.			trans	-125.3	24	-178.5	-67.2	0	0	0	0	111.2	F103 R107 F108 I113 Y141 Y160 G164 L166	F103-V105 PolarHBondContact O-N 3Å; V105-R107 PolarHBondContact O-N 2.97Å; V105-F108 HydrophobicContact CB-CD2 4.32Å; V105-F108 PolarHBondContact O-N 2.95Å; V105-I113 HydrophobicContact CB-CD1 3.72Å; V105-I113 HydrophobicContact CB-CG1 4.47Å; V105-I113 HydrophobicContact CG1-CD1 4.19Å; V105-I113 HydrophobicContact CG2-CD1 3.67Å; V105-Y141 HydrophobicContact CG1-CE1 4.29Å; V105-Y160 HydrophobicContact CG2-CD2 3.97Å; V105-Y160 HydrophobicContact CG2-CE2 3.7Å; V105-G164 CarbonylContact C-O 3.35Å; V105-G164 VanDerWaalsContact C-O 3.26Å; V105-G164 WeakPolarHBondContact CG2-O 3.39Å; V105-G164 PolarHBondContact N-O 2.9Å; V105-L166 HydrophobicContact CG1-CB 4.21Å; V105-L166 HydrophobicContact CG2-CB 3.78Å
106	R	86.4	Confident	91	Very high	34 Å²	34	49.1 Å²	49.1	13%	0.128	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-20	-174.5	-71.5	177.1	-61.5	-170.3	8.5	114.9	D104 G163 G164 Y165	D104-R106 WeakPolarHBondContact OD1-CB 3.36Å; D104-R106 VanDerWaalsContact OD1-CG 3.27Å; D104-R106 WeakPolarHBondContact OD1-CG 3.32Å; D104-R106 IonicContact OD1-CZ 2.76Å; D104-R106 PolarHBondContact OD1-N 2.82Å; D104-R106 IonicContact OD1-NE 3.19Å; D104-R106 PolarHBondContact OD1-NE 2.73Å; D104-R106 IonicContact OD1-NH2 2.78Å; D104-R106 IonicContact OD2-CZ 3.2Å; D104-R106 IonicContact OD2-NE 3.89Å; D104-R106 PolarHBondContact OD2-NE 2.58Å; D104-R106 IonicContact OD2-NH2 3.55Å; D104-R106 PolarHBondContact OD2-NH2 3.47Å; R106-G163 WeakPolarHBondContact CD-O 3.49Å; R106-G163 WeakPolarHBondContact CG-O 3.15Å; R106-G164 VanDerWaalsContact CG-O 3.23Å; R106-G164 WeakPolarHBondContact CG-O 3.09Å; R106-G164 PolarHBondContact N-O 2.84Å; R106-Y165 PolarHBondContact NH1-OH 3.03Å
107	R	84.3	Confident	91.4	Very high	30 Å²	30	48.6 Å²	48.6	11%	0.113	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-2.7	179.5	-55.3	-169.8	-171.3	169.8	-2.1	113	W72 Y73 S77 S78 R80 F82 V105 Q128 Y139	W72-R107 WeakPolarHBondContact CZ3-O 3.34Å; Y73-R107 HydrophobicContact CE2-CB 4.46Å; Y73-R107 HydrophobicContact CE2-CG 4.36Å; S77-R107 PolarHBondContact O-NE 3.25Å; S77-R107 PolarHBondContact O-NH2 3.45Å; S78-R107 PolarHBondContact O-NH2 2.7Å; R80-R107 PolarHBondContact O-NH2 3.13Å; F82-R107 HydrophobicContact CE1-CG 4.34Å; F82-R107 HydrophobicContact CZ-CB 4.26Å; F82-R107 VanDerWaalsContact CZ-CD 3.5Å; F82-R107 HydrophobicContact CZ-CG 3.95Å; V105-R107 PolarHBondContact O-N 2.97Å; R107-Q128 PolarHBondContact O-OE1 3.36Å; R107-Y139 HydrophobicContact CB-CG 4.48Å
108	F	88.9	Confident	91.5	Very high	1 Å²	1	48.7 Å²	48.7	0%	0.004	25%	0.246	C	C	.	.	S	Bend	trans	-120.1	145.1	-177.6	-55.4	-82.1	0	0	0	111	F82 V105 E112 I113 A126 Q128 Y141	F82-F108 HydrophobicContact CE1-CE2 4.42Å; F82-F108 HydrophobicContact CZ-CE2 4.11Å; V105-F108 HydrophobicContact CB-CD2 4.32Å; V105-F108 PolarHBondContact O-N 2.95Å; F108-E112 HydrophobicContact CB-CB 4.39Å; F108-I113 HydrophobicContact CB-CD1 4.19Å; F108-I113 HydrophobicContact CB-CG1 3.83Å; F108-A126 HydrophobicContact CB-CB 4.06Å; F108-A126 HydrophobicContact CD1-CB 3.52Å; F108-A126 HydrophobicContact CD2-CB 3.78Å; F108-A126 VanDerWaalsContact CE1-C 3.47Å; F108-A126 HydrophobicContact CE1-CB 3.85Å; F108-A126 WeakPolarHBondContact CE1-O 3.1Å; F108-A126 HydrophobicContact CE2-CB 4.09Å; F108-A126 HydrophobicContact CG-CB 3.49Å; F108-A126 VanDerWaalsContact CG-CB 3.49Å; F108-A126 HydrophobicContact CZ-CB 4.12Å; F108-Q128 HydrophobicContact CD1-CB 3.81Å; F108-Q128 HydrophobicContact CE1-CB 3.97Å; F108-Y141 VanDerWaalsContact CE2-CB 3.44Å; F108-Y141 HydrophobicContact CE2-CG 4.06Å; F108-Y141 HydrophobicContact CZ-CG 4.45Å
109	K	87.8	Confident	91.4	Very high	78 Å²	78	49.4 Å²	49.4	34%	0.339	27%	0.268	S	S	.	.			trans	-69.8	152.8	167.3	-62.5	-178.9	-174.2	173.3	0	109.7	W72 Q111 E112 I113	W72-K109 HydrophobicContact CD2-CG 3.84Å; W72-K109 HydrophobicContact CE3-CG 4.18Å; W72-K109 HydrophobicContact CH2-CB 4.44Å; W72-K109 HydrophobicContact CH2-CD 4.39Å; W72-K109 HydrophobicContact CH2-CG 3.41Å; W72-K109 VanDerWaalsContact CH2-CG 3.41Å; W72-K109 HydrophobicContact CZ2-CD 3.81Å; W72-K109 HydrophobicContact CZ2-CG 3.18Å; W72-K109 HydrophobicContact CZ3-CG 3.97Å; K109-Q111 PolarHBondContact O-N 3.26Å; K109-Q111 VanDerWaalsContact O-N 3.07Å; K109-E112 HydrophobicContact CB-CB 4.37Å; K109-E112 HydrophobicContact CB-CG 4Å; K109-E112 PolarHBondContact N-OE2 3.28Å; K109-E112 WeakPolarHBondContact O-CB 3.31Å; K109-E112 PolarHBondContact O-N 2.78Å; K109-I113 WeakPolarHBondContact O-CG1 3.27Å
110	P	90.6	Very high	91.4	Very high	57 Å²	57	53 Å²	53	37%	0.37	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-50.9	-35.4	172	-27.2	34.8	0	0	0	113.5	E112 I113 Y160	P110-E112 VanDerWaalsContact C-N 3.33Å; P110-E112 PolarHBondContact O-N 3.22Å; P110-I113 PolarHBondContact O-N 3.25Å; P110-Y160 HydrophobicContact CB-CD2 4.45Å; P110-Y160 HydrophobicContact CB-CG 4.3Å; P110-Y160 HydrophobicContact CG-CD1 3.79Å; P110-Y160 HydrophobicContact CG-CD2 4.08Å; P110-Y160 HydrophobicContact CG-CE1 3.98Å; P110-Y160 HydrophobicContact CG-CE2 4.24Å; P110-Y160 HydrophobicContact CG-CG 3.83Å
111	Q	91.6	Very high	91.4	Very high	162 Å²	162	53.8 Å²	53.8	76%	0.757	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-76.1	-17.2	179.7	-55.8	82.6	5	0	0	113.9	K109 I113	K109-Q111 PolarHBondContact O-N 3.26Å; K109-Q111 VanDerWaalsContact O-N 3.07Å; Q111-I113 VanDerWaalsContact C-N 3.33Å
112	E	92.1	Very high	91.5	Very high	57 Å²	57	53.8 Å²	53.8	27%	0.266	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-89	-3.6	178.9	-68.9	168	173.5	0	0	112.1	F108 K109 P110 A126 K127	F108-E112 HydrophobicContact CB-CB 4.39Å; K109-E112 HydrophobicContact CB-CB 4.37Å; K109-E112 HydrophobicContact CB-CG 4Å; K109-E112 PolarHBondContact N-OE2 3.28Å; K109-E112 WeakPolarHBondContact O-CB 3.31Å; K109-E112 PolarHBondContact O-N 2.78Å; P110-E112 VanDerWaalsContact C-N 3.33Å; P110-E112 PolarHBondContact O-N 3.22Å; E112-A126 VanDerWaalsContact O-CA 3.3Å; E112-A126 WeakPolarHBondContact O-CA 3.38Å; E112-K127 PolarHBondContact O-N 3.08Å
113	I	94.5	Very high	91.6	Very high	26 Å²	26	52.3 Å²	52.3	13%	0.133	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	127.2	-176.7	-57.9	163.3	0	0	0	109.2	V105 F108 K109 P110 Q111 V115 I124 A126 Y160 L166	V105-I113 HydrophobicContact CB-CD1 3.72Å; V105-I113 HydrophobicContact CB-CG1 4.47Å; V105-I113 HydrophobicContact CG1-CD1 4.19Å; V105-I113 HydrophobicContact CG2-CD1 3.67Å; F108-I113 HydrophobicContact CB-CD1 4.19Å; F108-I113 HydrophobicContact CB-CG1 3.83Å; K109-I113 WeakPolarHBondContact O-CG1 3.27Å; P110-I113 PolarHBondContact O-N 3.25Å; Q111-I113 VanDerWaalsContact C-N 3.33Å; I113-V115 HydrophobicContact CG2-CG2 4.37Å; I113-I124 HydrophobicContact CG2-CG2 4.23Å; I113-A126 HydrophobicContact CB-CB 4.42Å; I113-A126 HydrophobicContact CG1-CB 3.91Å; I113-Y160 HydrophobicContact CD1-CD2 3.93Å; I113-Y160 HydrophobicContact CD1-CE2 4.02Å; I113-L166 HydrophobicContact CG2-CD2 4.11Å
114	S	95.6	Very high	91.8	Very high	48 Å²	48	52.2 Å²	52.2	34%	0.336	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.3	173.5	-170.7	0	0	0	0	109.9	I124 E125	S114-I124 WeakPolarHBondContact O-CA 3.31Å; S114-E125 PolarHBondContact N-O 3.19Å; S114-E125 PolarHBondContact O-N 3.3Å
115	V	95.2	Very high	92.1	Very high	48 Å²	48	54.6 Å²	54.6	29%	0.291	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.8	173.9	-170.7	0	0	0	0	108.5	I113 L122 T123 I124 C158 L166	I113-V115 HydrophobicContact CG2-CG2 4.37Å; V115-L122 HydrophobicContact CG1-CD1 3.46Å; V115-L122 VanDerWaalsContact CG1-CD1 3.46Å; V115-L122 HydrophobicContact CG1-CG 4.36Å; V115-T123 WeakPolarHBondContact CA-O 3.45Å; V115-I124 HydrophobicContact CG1-CG1 4.25Å; V115-I124 HydrophobicContact CG2-CG1 4.33Å; V115-C158 HydrophobicContact CG2-CB 4.49Å; V115-L166 HydrophobicContact CG2-CD2 3.72Å
116	K	95.2	Very high	92.2	Very high	123 Å²	123	54.7 Å²	54.7	54%	0.535	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	140.6	-179.9	-65.1	177.3	-176	167.1	0	109.9	T123	K116-T123 PolarHBondContact N-O 3.29Å; K116-T123 PolarHBondContact O-N 3.33Å
117	T	94.2	Very high	92.6	Very high	63 Å²	63	59.2 Å²	59.2	39%	0.387	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	136.9	169	52	0	0	0	0	109.6	K121 L122 A153 V156	T117-K121 CarbonylContact C-O 3.56Å; T117-K121 VanDerWaalsContact CA-O 3.31Å; T117-K121 WeakPolarHBondContact CA-O 3.49Å; T117-L122 HydrophobicContact CG2-CD1 3.69Å; T117-A153 HydrophobicContact CG2-CB 4.31Å; T117-V156 HydrophobicContact CG2-CB 4.45Å; T117-V156 HydrophobicContact CG2-CG2 4.38Å
118	S	93	Very high	92.8	Very high	92 Å²	92	58.2 Å²	58.2	64%	0.643	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.2	111.4	175.8	-172.7	0	0	0	0	108.9	N120 K121	S118-N120 PolarHBondContact O-N 2.6Å; S118-K121 PolarHBondContact N-O 3.45Å; S118-K121 PolarHBondContact O-N 3.31Å
119	G	91.1	Very high	92.8	Very high	67 Å²	67	63.2 Å²	63.2	69%	0.691	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	-122.4	-169.5	0	0	0	0	0	111.1	A153	G119-A153 WeakPolarHBondContact O-CB 3.23Å
120	N	91.3	Very high	92.6	Very high	82 Å²	82	59.8 Å²	59.8	44%	0.439	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	15.4	175.1	68.6	-22	0	0	0	113.3	S118 L147	S118-N120 PolarHBondContact O-N 2.6Å; N120-L147 WeakPolarHBondContact O-CB 3.36Å; N120-L147 PolarHBondContact O-N 3.3Å
121	K	93.3	Very high	92.3	Very high	89 Å²	89	64.4 Å²	64.4	39%	0.387	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.8	-177.8	-66.1	178.5	177	-178.7	0	111.5	T117 S118 M144 F145	T117-K121 CarbonylContact C-O 3.56Å; T117-K121 VanDerWaalsContact CA-O 3.31Å; T117-K121 WeakPolarHBondContact CA-O 3.49Å; S118-K121 PolarHBondContact N-O 3.45Å; S118-K121 PolarHBondContact O-N 3.31Å; K121-M144 HydrophobicContact CD-SD 3.86Å; K121-F145 CarbonylContact C-O 3.52Å; K121-F145 WeakPolarHBondContact CA-O 3.27Å
122	L	94.1	Very high	91.8	Very high	1 Å²	1	60 Å²	60	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	126.5	167.8	-179.3	74	0	0	0	108.5	L101 F103 V115 T117 I124 M144 F145 L147 V156 V168	L101-L122 HydrophobicContact CD1-CD2 3.79Å; F103-L122 HydrophobicContact CE2-CD2 4.29Å; F103-L122 HydrophobicContact CZ-CD2 4.43Å; V115-L122 HydrophobicContact CG1-CD1 3.46Å; V115-L122 VanDerWaalsContact CG1-CD1 3.46Å; V115-L122 HydrophobicContact CG1-CG 4.36Å; T117-L122 HydrophobicContact CG2-CD1 3.69Å; L122-I124 HydrophobicContact CD2-CD1 4.4Å; L122-M144 CarbonylContact O-C 3.59Å; L122-M144 VanDerWaalsContact O-CA 3.3Å; L122-M144 WeakPolarHBondContact O-CA 3.36Å; L122-F145 HydrophobicContact CB-CB 4.35Å; L122-F145 PolarHBondContact N-O 3.49Å; L122-F145 PolarHBondContact O-N 3.1Å; L122-L147 HydrophobicContact CB-CD2 4.31Å; L122-L147 HydrophobicContact CB-CG 4.49Å; L122-V156 HydrophobicContact CD1-CG1 4.19Å; L122-V168 HydrophobicContact CD2-CB 4.39Å; L122-V168 HydrophobicContact CD2-CG1 3.84Å; L122-V168 HydrophobicContact CD2-CG2 4.33Å
123	T	94.7	Very high	91.4	Very high	29 Å²	29	65.7 Å²	65.7	18%	0.178	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.3	176	-52.9	0	0	0	0	109.6	V115 K116 E125 R143	V115-T123 WeakPolarHBondContact CA-O 3.45Å; K116-T123 PolarHBondContact N-O 3.29Å; K116-T123 PolarHBondContact O-N 3.33Å; T123-E125 HydrophobicContact CG2-CG 4.07Å; T123-R143 CarbonylContact C-O 3.59Å; T123-R143 WeakPolarHBondContact CA-O 3.29Å
124	I	94.4	Very high	91	Very high	2 Å²	2	73 Å²	73	1%	0.01	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.2	176.6	-60.1	164.1	0	0	0	107.3	F103 I113 S114 V115 L122 Y141 K142 R143 L166	F103-I124 HydrophobicContact CB-CD1 4.31Å; F103-I124 HydrophobicContact CD1-CD1 3.79Å; F103-I124 HydrophobicContact CD2-CD1 3.2Å; F103-I124 HydrophobicContact CE1-CD1 3.82Å; F103-I124 HydrophobicContact CE2-CD1 3.24Å; F103-I124 HydrophobicContact CG-CD1 3.49Å; F103-I124 VanDerWaalsContact CG-CD1 3.49Å; F103-I124 HydrophobicContact CZ-CD1 3.55Å; I113-I124 HydrophobicContact CG2-CG2 4.23Å; S114-I124 WeakPolarHBondContact O-CA 3.31Å; V115-I124 HydrophobicContact CG1-CG1 4.25Å; V115-I124 HydrophobicContact CG2-CG1 4.33Å; L122-I124 HydrophobicContact CD2-CD1 4.4Å; I124-Y141 HydrophobicContact CG2-CD1 4.39Å; I124-Y141 HydrophobicContact CG2-CE1 4.09Å; I124-K142 CarbonylContact O-C 3.57Å; I124-K142 VanDerWaalsContact O-CA 3.28Å; I124-K142 WeakPolarHBondContact O-CA 3.21Å; I124-R143 PolarHBondContact N-O 3.5Å; I124-R143 PolarHBondContact O-N 3.24Å; I124-L166 HydrophobicContact CD1-CD2 4Å; I124-L166 HydrophobicContact CG1-CD2 4.27Å; I124-L166 HydrophobicContact CG2-CD2 4.08Å
125	E	94.9	Very high	90.2	Very high	58 Å²	58	76.1 Å²	76.1	27%	0.271	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	132.3	177.3	-63.6	-176.1	157.5	0	0	109	S114 T123 Y141 K142	S114-E125 PolarHBondContact N-O 3.19Å; S114-E125 PolarHBondContact O-N 3.3Å; T123-E125 HydrophobicContact CG2-CG 4.07Å; E125-Y141 CarbonylContact C-O 3.56Å; E125-Y141 WeakPolarHBondContact CA-O 3.31Å; E125-K142 HydrophobicContact CG-CD 4.19Å; E125-K142 HydrophobicContact CG-CG 4.14Å; E125-K142 VanDerWaalsContact OE1-CE 3.26Å; E125-K142 WeakPolarHBondContact OE1-CE 3.46Å; E125-K142 IonicContact OE1-NZ 2.72Å; E125-K142 PolarHBondContact OE1-NZ 3.35Å
126	A	93.6	Very high	89.7	Confident	1 Å²	1	78.2 Å²	78.2	1%	0.008	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	136.9	174.5	0	0	0	0	0	110.9	F108 E112 I113 Y141	F108-A126 HydrophobicContact CB-CB 4.06Å; F108-A126 HydrophobicContact CD1-CB 3.52Å; F108-A126 HydrophobicContact CD2-CB 3.78Å; F108-A126 VanDerWaalsContact CE1-C 3.47Å; F108-A126 HydrophobicContact CE1-CB 3.85Å; F108-A126 WeakPolarHBondContact CE1-O 3.1Å; F108-A126 HydrophobicContact CE2-CB 4.09Å; F108-A126 HydrophobicContact CG-CB 3.49Å; F108-A126 VanDerWaalsContact CG-CB 3.49Å; F108-A126 HydrophobicContact CZ-CB 4.12Å; E112-A126 VanDerWaalsContact O-CA 3.3Å; E112-A126 WeakPolarHBondContact O-CA 3.38Å; I113-A126 HydrophobicContact CB-CB 4.42Å; I113-A126 HydrophobicContact CG1-CB 3.91Å; A126-Y141 PolarHBondContact N-O 3.15Å; A126-Y141 PolarHBondContact O-N 2.96Å
127	K	93.3	Very high	89	Confident	130 Å²	130	73.3 Å²	73.3	57%	0.565	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.4	131.5	-178.9	-61.1	-168.1	-175.2	-131.4	0	110.5	E112 Y139 D140	E112-K127 PolarHBondContact O-N 3.08Å; K127-Y139 WeakPolarHBondContact CA-O 3.37Å; K127-D140 WeakPolarHBondContact CE-OD2 3.14Å; K127-D140 IonicContact NZ-OD1 2.74Å; K127-D140 IonicContact NZ-OD2 2.71Å; K127-D140 PolarHBondContact NZ-OD2 3.45Å
128	Q	89.9	Confident	88.6	Confident	8 Å²	8	77 Å²	77	4%	0.037	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.5	176.8	-166.3	-162.3	25	0	0	109.8	R107 F108 V130 K138 Y139	R107-Q128 PolarHBondContact O-OE1 3.36Å; F108-Q128 HydrophobicContact CD1-CB 3.81Å; F108-Q128 HydrophobicContact CE1-CB 3.97Å; Q128-V130 VanDerWaalsContact CD-CG2 3.45Å; Q128-V130 HydrophobicContact CG-CG2 3.91Å; Q128-V130 VanDerWaalsContact NE2-CG2 3.3Å; Q128-K138 WeakPolarHBondContact O-CA 3.08Å; Q128-Y139 HydrophobicContact CB-CD2 4.42Å; Q128-Y139 PolarHBondContact N-O 3.48Å; Q128-Y139 PolarHBondContact O-N 3.31Å
129	H	89.3	Confident	88.3	Confident	106 Å²	106	74.6 Å²	74.6	49%	0.491	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	124.7	168.5	-178.2	-156.7	0	0	0	109.8	E136 K138	H129-E136 IonicContact CD2-OE1 3.74Å; H129-E136 IonicContact CE1-OE1 3.98Å; H129-E136 PolarHBondContact CE1-OE1 2.72Å; H129-E136 VanDerWaalsContact NE2-CD 3.3Å; H129-E136 VanDerWaalsContact NE2-CG 3.34Å; H129-E136 WeakPolarHBondContact NE2-CG 3.06Å; H129-E136 IonicContact NE2-OE1 3.22Å; H129-E136 PolarHBondContact NE2-OE1 3.37Å; H129-K138 HydrophobicContact CB-CG 4.32Å; H129-K138 WeakPolarHBondContact CD2-CE 3.4Å; H129-K138 VanDerWaalsContact CD2-CG 3.41Å; H129-K138 WeakPolarHBondContact CD2-CG 3.49Å; H129-K138 WeakPolarHBondContact NE2-CE 3.33Å
130	V	82.1	Confident	88.4	Confident	6 Å²	6	76.4 Å²	76.4	4%	0.036	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.4	-176	169.9	0	0	0	0	106.8	Q128 E136 S137	Q128-V130 VanDerWaalsContact CD-CG2 3.45Å; Q128-V130 HydrophobicContact CG-CG2 3.91Å; Q128-V130 VanDerWaalsContact NE2-CG2 3.3Å; V130-E136 CarbonylContact O-C 3.52Å; V130-E136 VanDerWaalsContact O-CA 3.31Å; V130-E136 WeakPolarHBondContact O-CA 3.12Å; V130-S137 PolarHBondContact N-O 3.33Å; V130-S137 PolarHBondContact O-N 2.78Å
131	K	85.1	Confident	88.4	Confident	154 Å²	154	73.8 Å²	73.8	67%	0.67	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.8	116.5	176.3	-172.4	177.6	-179.4	177.8	0	109.4	E136	K131-E136 HydrophobicContact CB-CG 4.37Å; K131-E136 HydrophobicContact CG-CG 4.36Å
132	D	80.3	Confident	88.3	Confident	70 Å²	70	75.8 Å²	75.8	37%	0.374	36%	0.358	S	S	.	.			trans	-115.1	169.7	172.8	-53.1	-31	0	0	0	108.6	K134 M135	D132-K134 PolarHBondContact O-N 2.92Å; D132-M135 PolarHBondContact N-O 3.2Å; D132-M135 PolarHBondContact O-N 2.69Å
133	D	84.3	Confident	88.2	Confident	176 Å²	176	79 Å²	79	94%	0.941	37%	0.37	S	S	*	.	S	Bend	trans	-57.9	-23.4	-175.3	-69.3	-24.8	0	0	0	114.5
134	K	85.2	Confident	88.1	Confident	179 Å²	179	82.7 Å²	82.7	78%	0.778	39%	0.386	S	S	*	.	S	Bend	trans	-119.2	-12.9	-174.9	-62.2	178.4	-175.5	170.8	0	113.9	D132	D132-K134 PolarHBondContact O-N 2.92Å
135	M	78.7	Confident	87.9	Confident	114 Å²	114	83.7 Å²	83.7	56%	0.562	39%	0.39	S	S	*	.			trans	-149	134.1	-168.5	-178	168.6	167.7	0	0	110.8	D132 S137	D132-M135 PolarHBondContact N-O 3.2Å; D132-M135 PolarHBondContact O-N 2.69Å; M135-S137 WeakPolarHBondContact CE-OG 3.38Å
136	E	84.8	Confident	87.8	Confident	93 Å²	93	84.4 Å²	84.4	44%	0.435	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.1	170.2	-172.3	176.5	162.1	0	0	108	H129 V130 K131 K138	H129-E136 IonicContact CD2-OE1 3.74Å; H129-E136 IonicContact CE1-OE1 3.98Å; H129-E136 PolarHBondContact CE1-OE1 2.72Å; H129-E136 VanDerWaalsContact NE2-CD 3.3Å; H129-E136 VanDerWaalsContact NE2-CG 3.34Å; H129-E136 WeakPolarHBondContact NE2-CG 3.06Å; H129-E136 IonicContact NE2-OE1 3.22Å; H129-E136 PolarHBondContact NE2-OE1 3.37Å; V130-E136 CarbonylContact O-C 3.52Å; V130-E136 VanDerWaalsContact O-CA 3.31Å; V130-E136 WeakPolarHBondContact O-CA 3.12Å; K131-E136 HydrophobicContact CB-CG 4.37Å; K131-E136 HydrophobicContact CG-CG 4.36Å; E136-K138 WeakPolarHBondContact OE1-CE 3.3Å; E136-K138 IonicContact OE1-NZ 3.81Å; E136-K138 PolarHBondContact OE1-NZ 2.84Å
137	S	80.5	Confident	87.7	Confident	20 Å²	20	84.7 Å²	84.7	14%	0.14	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	134.7	176.7	-65.1	0	0	0	0	110.3	V130 M135	V130-S137 PolarHBondContact N-O 3.33Å; V130-S137 PolarHBondContact O-N 2.78Å; M135-S137 WeakPolarHBondContact CE-OG 3.38Å
138	K	86.9	Confident	87.6	Confident	141 Å²	141	80.5 Å²	80.5	61%	0.613	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.1	176.3	-71.6	176.2	-177.3	155.1	0	108.8	Q128 H129 E136	Q128-K138 WeakPolarHBondContact O-CA 3.08Å; H129-K138 HydrophobicContact CB-CG 4.32Å; H129-K138 WeakPolarHBondContact CD2-CE 3.4Å; H129-K138 VanDerWaalsContact CD2-CG 3.41Å; H129-K138 WeakPolarHBondContact CD2-CG 3.49Å; H129-K138 WeakPolarHBondContact NE2-CE 3.33Å; E136-K138 WeakPolarHBondContact OE1-CE 3.3Å; E136-K138 IonicContact OE1-NZ 3.81Å; E136-K138 PolarHBondContact OE1-NZ 2.84Å
139	Y	87.1	Confident	87.5	Confident	41 Å²	41	86.1 Å²	86.1	16%	0.161	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.8	173	-59.3	-78.1	0	0	0	108.6	Y73 R107 K127 Q128	Y73-Y139 PolarHBondContact OH-OH 2.81Å; R107-Y139 HydrophobicContact CB-CG 4.48Å; K127-Y139 WeakPolarHBondContact CA-O 3.37Å; Q128-Y139 HydrophobicContact CB-CD2 4.42Å; Q128-Y139 PolarHBondContact N-O 3.48Å; Q128-Y139 PolarHBondContact O-N 3.31Å
140	D	91.6	Very high	87.5	Confident	105 Å²	105	82.5 Å²	82.5	56%	0.561	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.6	171.8	-162.6	-27.9	0	0	0	106.8	K127	K127-D140 WeakPolarHBondContact CE-OD2 3.14Å; K127-D140 IonicContact NZ-OD1 2.74Å; K127-D140 IonicContact NZ-OD2 2.71Å; K127-D140 PolarHBondContact NZ-OD2 3.45Å
141	Y	91.3	Very high	88	Confident	26 Å²	26	83 Å²	83	10%	0.102	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	127.3	-178.2	179.9	-94.6	0	0	0	109.1	F82 V105 F108 I124 E125 A126 R143	F82-Y141 HydrophobicContact CE1-CD2 4.35Å; V105-Y141 HydrophobicContact CG1-CE1 4.29Å; F108-Y141 VanDerWaalsContact CE2-CB 3.44Å; F108-Y141 HydrophobicContact CE2-CG 4.06Å; F108-Y141 HydrophobicContact CZ-CG 4.45Å; I124-Y141 HydrophobicContact CG2-CD1 4.39Å; I124-Y141 HydrophobicContact CG2-CE1 4.09Å; E125-Y141 CarbonylContact C-O 3.56Å; E125-Y141 WeakPolarHBondContact CA-O 3.31Å; A126-Y141 PolarHBondContact N-O 3.15Å; A126-Y141 PolarHBondContact O-N 2.96Å; Y141-R143 HydrophobicContact CE1-CB 4.22Å; Y141-R143 HydrophobicContact CE1-CG 3.78Å; Y141-R143 HydrophobicContact CE2-CG 4.03Å; Y141-R143 VanDerWaalsContact CZ-CG 3.42Å; Y141-R143 VanDerWaalsContact OH-CG 3.22Å; Y141-R143 WeakPolarHBondContact OH-CG 3.45Å
142	K	92.8	Very high	88.3	Confident	131 Å²	131	81.8 Å²	81.8	57%	0.57	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.6	126.6	175	-177.1	163.4	178.8	155.8	0	109.8	I124 E125	I124-K142 CarbonylContact O-C 3.57Å; I124-K142 VanDerWaalsContact O-CA 3.28Å; I124-K142 WeakPolarHBondContact O-CA 3.21Å; E125-K142 HydrophobicContact CG-CD 4.19Å; E125-K142 HydrophobicContact CG-CG 4.14Å; E125-K142 VanDerWaalsContact OE1-CE 3.26Å; E125-K142 WeakPolarHBondContact OE1-CE 3.46Å; E125-K142 IonicContact OE1-NZ 2.72Å; E125-K142 PolarHBondContact OE1-NZ 3.35Å
143	R	91.8	Very high	88.8	Confident	69 Å²	69	79.6 Å²	79.6	26%	0.26	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143.8	172.2	-75.3	-64.3	-179.5	154.1	-18.4	110.3	E84 E86 F103 T123 I124 Y141	E84-R143 IonicContact OE1-CZ 3.82Å; E84-R143 IonicContact OE1-NH1 2.76Å; E84-R143 IonicContact OE1-NH2 3.71Å; E84-R143 PolarHBondContact OE1-NH2 3.27Å; E86-R143 WeakPolarHBondContact OE1-CD 3.28Å; E86-R143 IonicContact OE1-CZ 3.61Å; E86-R143 IonicContact OE1-NE 2.93Å; E86-R143 IonicContact OE1-NH1 3.53Å; E86-R143 PolarHBondContact OE1-NH1 3.28Å; F103-R143 HydrophobicContact CD1-CB 4.47Å; F103-R143 HydrophobicContact CE1-CB 4.37Å; T123-R143 CarbonylContact C-O 3.59Å; T123-R143 WeakPolarHBondContact CA-O 3.29Å; I124-R143 PolarHBondContact N-O 3.5Å; I124-R143 PolarHBondContact O-N 3.24Å; Y141-R143 HydrophobicContact CE1-CB 4.22Å; Y141-R143 HydrophobicContact CE1-CG 3.78Å; Y141-R143 HydrophobicContact CE2-CG 4.03Å; Y141-R143 VanDerWaalsContact CZ-CG 3.42Å; Y141-R143 VanDerWaalsContact OH-CG 3.22Å; Y141-R143 WeakPolarHBondContact OH-CG 3.45Å
144	M	91.9	Very high	89.1	Confident	106 Å²	106	80.1 Å²	80.1	52%	0.522	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	127.6	175.4	-174.3	-177.4	68.9	0	0	108.1	K121 L122	K121-M144 HydrophobicContact CD-SD 3.86Å; L122-M144 CarbonylContact O-C 3.59Å; L122-M144 VanDerWaalsContact O-CA 3.3Å; L122-M144 WeakPolarHBondContact O-CA 3.36Å
145	F	91	Very high	89.4	Confident	23 Å²	23	74.2 Å²	74.2	10%	0.101	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	137.5	178.9	179.1	-104.9	0	0	0	109.5	Q88 L99 L101 F103 K121 L122 L147	Q88-F145 HydrophobicContact CG-CE2 4.34Å; L99-F145 HydrophobicContact CD2-CE1 4.08Å; L101-F145 HydrophobicContact CD1-CD1 3.41Å; L101-F145 VanDerWaalsContact CD1-CD1 3.41Å; L101-F145 HydrophobicContact CD1-CE1 3.66Å; L101-F145 HydrophobicContact CD1-CG 4.06Å; L101-F145 HydrophobicContact CD2-CD1 4.22Å; L101-F145 HydrophobicContact CD2-CE1 3.82Å; L101-F145 HydrophobicContact CD2-CE2 4.39Å; L101-F145 HydrophobicContact CD2-CZ 3.9Å; L101-F145 HydrophobicContact CG-CD1 4.47Å; L101-F145 HydrophobicContact CG-CE1 4.35Å; F103-F145 HydrophobicContact CZ-CB 4.49Å; K121-F145 CarbonylContact C-O 3.52Å; K121-F145 WeakPolarHBondContact CA-O 3.27Å; L122-F145 HydrophobicContact CB-CB 4.35Å; L122-F145 PolarHBondContact N-O 3.49Å; L122-F145 PolarHBondContact O-N 3.1Å; F145-L147 HydrophobicContact CD1-CD2 4.02Å; F145-L147 HydrophobicContact CE1-CD2 4.1Å
146	T	92.3	Very high	90.1	Very high	73 Å²	73	70 Å²	70	45%	0.448	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117.5	175.4	-54.7	0	0	0	0	108
147	L	91.7	Very high	90.6	Very high	7 Å²	7	72.9 Å²	72.9	4%	0.037	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-65.4	135	178.7	-62.2	173.8	0	0	0	109.7	L99 N120 L122 F145 V151 A153 V156	L99-L147 HydrophobicContact CD2-CD2 3.95Å; N120-L147 WeakPolarHBondContact O-CB 3.36Å; N120-L147 PolarHBondContact O-N 3.3Å; L122-L147 HydrophobicContact CB-CD2 4.31Å; L122-L147 HydrophobicContact CB-CG 4.49Å; F145-L147 HydrophobicContact CD1-CD2 4.02Å; F145-L147 HydrophobicContact CE1-CD2 4.1Å; L147-V151 HydrophobicContact CB-CB 4.39Å; L147-V151 HydrophobicContact CD1-CG1 4.39Å; L147-V151 HydrophobicContact CD2-CG1 4.28Å; L147-A153 HydrophobicContact CD1-CB 4.16Å; L147-V156 HydrophobicContact CD1-CG2 4.2Å
148	P	90.6	Very high	91.2	Very high	43 Å²	43	74.6 Å²	74.6	28%	0.279	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-68	155	176.2	27.6	-30.6	0	0	0	110.9	L99 G150 V151 Y172	L99-P148 HydrophobicContact CD1-CG 4.45Å; L99-P148 HydrophobicContact CD2-CG 4.34Å; P148-G150 PolarHBondContact O-N 2.77Å; P148-V151 HydrophobicContact CG-CG2 3.82Å; P148-V151 PolarHBondContact O-N 3.18Å; P148-V151 VanDerWaalsContact O-N 3.14Å; P148-Y172 HydrophobicContact CB-CE2 4.29Å; P148-Y172 HydrophobicContact CG-CD2 4.43Å; P148-Y172 HydrophobicContact CG-CE2 4.21Å
149	D	89.1	Confident	91.5	Very high	126 Å²	126	74.1 Å²	74.1	67%	0.674	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	130	175.3	-64.7	-29.9	0	0	0	109.9	Y172 P175	D149-Y172 VanDerWaalsContact O-CE2 3.24Å; D149-Y172 WeakPolarHBondContact O-CE2 3.25Å; D149-P175 HydrophobicContact CB-CG 4.42Å
150	G	89	Confident	91.7	Very high	29 Å²	29	75.5 Å²	75.5	30%	0.299	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.9	-9.5	-174.4	0	0	0	0	0	115.3	P148 E173	P148-G150 PolarHBondContact O-N 2.77Å; G150-E173 WeakPolarHBondContact CA-O 3.43Å; G150-E173 PolarHBondContact O-N 3.42Å
151	V	92	Very high	91.6	Very high	17 Å²	17	73.2 Å²	73.2	10%	0.103	37%	0.368	C	S	.	.			trans	-96.2	123.3	168	-177.7	0	0	0	0	109.8	L99 L147 P148 V156 A170 Y172	L99-V151 HydrophobicContact CB-CG2 4.07Å; L99-V151 HydrophobicContact CD2-CG1 4.46Å; L99-V151 HydrophobicContact CD2-CG2 4.05Å; L147-V151 HydrophobicContact CB-CB 4.39Å; L147-V151 HydrophobicContact CD1-CG1 4.39Å; L147-V151 HydrophobicContact CD2-CG1 4.28Å; P148-V151 HydrophobicContact CG-CG2 3.82Å; P148-V151 PolarHBondContact O-N 3.18Å; P148-V151 VanDerWaalsContact O-N 3.14Å; V151-V156 HydrophobicContact CG1-CG2 4.5Å; V151-A170 HydrophobicContact CG1-CB 3.46Å; V151-A170 VanDerWaalsContact CG1-CB 3.46Å; V151-Y172 HydrophobicContact CG2-CD2 3.61Å; V151-Y172 HydrophobicContact CG2-CE2 4.47Å; V151-Y172 HydrophobicContact CG2-CG 4.4Å
152	K	90.4	Very high	91.2	Very high	129 Å²	129	79.3 Å²	79.3	56%	0.561	40%	0.403	S	S	*	.			trans	-84.8	127.1	172.4	-67.7	177.4	-176.4	165.7	0	109.6	E154 T155	K152-E154 PolarHBondContact O-N 3.45Å; K152-E154 VanDerWaalsContact O-N 3.16Å; K152-T155 HydrophobicContact CB-CG2 4.1Å; K152-T155 PolarHBondContact O-N 2.72Å; K152-T155 VanDerWaalsContact O-N 3.1Å; K152-T155 PolarHBondContact O-OG1 3.09Å
153	A	91.3	Very high	90.6	Very high	24 Å²	24	75.7 Å²	75.7	20%	0.198	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-58.5	-27.5	178.2	0	0	0	0	0	113.6	T117 G119 L147 T155 V156	T117-A153 HydrophobicContact CG2-CB 4.31Å; G119-A153 WeakPolarHBondContact O-CB 3.23Å; L147-A153 HydrophobicContact CD1-CB 4.16Å; A153-T155 VanDerWaalsContact C-N 3.33Å; A153-V156 WeakPolarHBondContact O-CG2 3.38Å
154	E	91.4	Very high	90.3	Very high	186 Å²	186	72.5 Å²	72.5	87%	0.869	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-74	-23.6	-180	-62.4	175.6	-179.2	0	0	113	K152 V156	K152-E154 PolarHBondContact O-N 3.45Å; K152-E154 VanDerWaalsContact O-N 3.16Å; E154-V156 VanDerWaalsContact C-N 3.32Å
155	T	92	Very high	90.3	Very high	55 Å²	55	70.5 Å²	70.5	34%	0.337	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-93.9	8	-178.9	60.6	0	0	0	0	112.5	K152 A153 E157	K152-T155 HydrophobicContact CB-CG2 4.1Å; K152-T155 PolarHBondContact O-N 2.72Å; K152-T155 VanDerWaalsContact O-N 3.1Å; K152-T155 PolarHBondContact O-OG1 3.09Å; A153-T155 VanDerWaalsContact C-N 3.33Å; T155-E157 PolarHBondContact O-N 3.02Å
156	V	93.3	Very high	90.4	Very high	27 Å²	27	69.8 Å²	69.8	16%	0.164	38%	0.376	C	S	.	.			trans	-77.7	118	-179.1	176.7	0	0	0	0	109.1	T117 L122 L147 V151 A153 E154 V168 A170	T117-V156 HydrophobicContact CG2-CB 4.45Å; T117-V156 HydrophobicContact CG2-CG2 4.38Å; L122-V156 HydrophobicContact CD1-CG1 4.19Å; L147-V156 HydrophobicContact CD1-CG2 4.2Å; V151-V156 HydrophobicContact CG1-CG2 4.5Å; A153-V156 WeakPolarHBondContact O-CG2 3.38Å; E154-V156 VanDerWaalsContact C-N 3.32Å; V156-V168 HydrophobicContact CG1-CG1 3.34Å; V156-A170 HydrophobicContact CG2-CB 3.95Å
157	E	94.1	Very high	90.4	Very high	152 Å²	152	67.2 Å²	67.2	71%	0.71	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	142.7	173.8	-65.9	-172.8	171.4	0	0	110.2	T155 V168 E169	T155-E157 PolarHBondContact O-N 3.02Å; E157-V168 CarbonylContact O-C 3.52Å; E157-V168 WeakPolarHBondContact O-CA 3.24Å; E157-E169 PolarHBondContact N-O 3.15Å; E157-E169 PolarHBondContact O-N 3.35Å
158	C	93.1	Very high	90.5	Very high	57 Å²	57	67.1 Å²	67.1	39%	0.385	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	133.6	-179.5	-60.6	0	0	0	0	109.5	V115 L166 L167	V115-C158 HydrophobicContact CG2-CB 4.49Å; C158-L166 HydrophobicContact CB-CD1 4.38Å; C158-L167 CarbonylContact C-O 3.48Å; C158-L167 WeakPolarHBondContact CA-O 3.31Å
159	R	93.4	Very high	90.7	Very high	131 Å²	131	66.6 Å²	66.6	49%	0.494	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	136.6	173.9	60.5	-179.5	170.3	174.4	-5.7	111.1	V161 L167 E169	R159-V161 HydrophobicContact CG-CG2 4.09Å; R159-L167 HydrophobicContact CG-CB 3.84Å; R159-L167 HydrophobicContact CG-CD2 4.4Å; R159-L167 PolarHBondContact N-O 2.87Å; R159-L167 PolarHBondContact O-N 3.19Å; R159-E169 IonicContact CZ-OE2 3.39Å; R159-E169 IonicContact NE-OE2 3.18Å; R159-E169 PolarHBondContact NE-OE2 3.45Å; R159-E169 IonicContact NH2-OE1 3.13Å; R159-E169 IonicContact NH2-OE2 2.8Å; R159-E169 PolarHBondContact NH2-OE2 3.41Å
160	Y	91.9	Very high	90.8	Very high	69 Å²	69	60.8 Å²	60.8	27%	0.271	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	122	169.5	-173.4	-88.8	0	0	0	108.7	V105 P110 I113 G164	V105-Y160 HydrophobicContact CG2-CD2 3.97Å; V105-Y160 HydrophobicContact CG2-CE2 3.7Å; P110-Y160 HydrophobicContact CB-CD2 4.45Å; P110-Y160 HydrophobicContact CB-CG 4.3Å; P110-Y160 HydrophobicContact CG-CD1 3.79Å; P110-Y160 HydrophobicContact CG-CD2 4.08Å; P110-Y160 HydrophobicContact CG-CE1 3.98Å; P110-Y160 HydrophobicContact CG-CE2 4.24Å; P110-Y160 HydrophobicContact CG-CG 3.83Å; I113-Y160 HydrophobicContact CD1-CD2 3.93Å; I113-Y160 HydrophobicContact CD1-CE2 4.02Å; Y160-G164 VanDerWaalsContact OH-CA 3.31Å; Y160-G164 WeakPolarHBondContact OH-CA 3.45Å
161	V	89.9	Confident	91	Very high	58 Å²	58	62 Å²	62	35%	0.352	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	145.1	-176	-175.2	0	0	0	0	109.7	R159 G163 G164 Y165 L167	R159-V161 HydrophobicContact CG-CG2 4.09Å; V161-G163 PolarHBondContact O-N 3.37Å; V161-G164 PolarHBondContact O-N 3.48Å; V161-Y165 PolarHBondContact N-O 3Å; V161-Y165 PolarHBondContact O-N 2.72Å; V161-L167 HydrophobicContact CG2-CB 3.92Å
162	D	82.6	Confident	91	Very high	154 Å²	154	63.2 Å²	63.2	82%	0.824	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	138.2	172.8	-71.3	-23.1	0	0	0	111.5
163	G	79.7	Confident	90.9	Very high	54 Å²	54	63.2 Å²	63.2	56%	0.557	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	3.6	-168.5	0	0	0	0	0	114	R106 V161 Y165	R106-G163 WeakPolarHBondContact CD-O 3.49Å; R106-G163 WeakPolarHBondContact CG-O 3.15Å; V161-G163 PolarHBondContact O-N 3.37Å; G163-Y165 WeakPolarHBondContact O-CD2 3.16Å; G163-Y165 WeakPolarHBondContact O-CE2 3.23Å
164	G	86.5	Confident	90.5	Very high	3 Å²	3	65 Å²	65	3%	0.031	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	39.8	167.1	0	0	0	0	0	115.1	V105 R106 Y160 V161	V105-G164 CarbonylContact C-O 3.35Å; V105-G164 VanDerWaalsContact C-O 3.26Å; V105-G164 WeakPolarHBondContact CG2-O 3.39Å; V105-G164 PolarHBondContact N-O 2.9Å; R106-G164 VanDerWaalsContact CG-O 3.23Å; R106-G164 WeakPolarHBondContact CG-O 3.09Å; R106-G164 PolarHBondContact N-O 2.84Å; Y160-G164 VanDerWaalsContact OH-CA 3.31Å; Y160-G164 WeakPolarHBondContact OH-CA 3.45Å; V161-G164 PolarHBondContact O-N 3.48Å
165	Y	90.3	Very high	90	Very high	63 Å²	63	60 Å²	60	25%	0.247	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	140.9	171.8	-60.4	-81.6	0	0	0	110.2	K102 F103 D104 R106 V161 G163	K102-Y165 HydrophobicContact CD-CD1 4.39Å; K102-Y165 HydrophobicContact CD-CG 4.47Å; K102-Y165 HydrophobicContact CG-CD1 4.12Å; K102-Y165 HydrophobicContact CG-CG 4.25Å; F103-Y165 CarbonylContact O-C 3.52Å; F103-Y165 VanDerWaalsContact O-CA 3.27Å; F103-Y165 WeakPolarHBondContact O-CA 3.48Å; D104-Y165 HydrophobicContact CB-CD1 4.24Å; D104-Y165 HydrophobicContact CB-CE1 4.1Å; R106-Y165 PolarHBondContact NH1-OH 3.03Å; V161-Y165 PolarHBondContact N-O 3Å; V161-Y165 PolarHBondContact O-N 2.72Å; G163-Y165 WeakPolarHBondContact O-CD2 3.16Å; G163-Y165 WeakPolarHBondContact O-CE2 3.23Å
166	L	93.3	Very high	88.9	Confident	9 Å²	9	67.4 Å²	67.4	5%	0.047	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113.4	167.7	-175.9	74.9	0	0	0	107.3	K102 F103 V105 I113 V115 I124 C158 V168	K102-L166 WeakPolarHBondContact CA-O 3.47Å; F103-L166 HydrophobicContact CB-CB 4.33Å; F103-L166 PolarHBondContact N-O 3.15Å; F103-L166 PolarHBondContact O-N 3.25Å; V105-L166 HydrophobicContact CG1-CB 4.21Å; V105-L166 HydrophobicContact CG2-CB 3.78Å; I113-L166 HydrophobicContact CG2-CD2 4.11Å; V115-L166 HydrophobicContact CG2-CD2 3.72Å; I124-L166 HydrophobicContact CD1-CD2 4Å; I124-L166 HydrophobicContact CG1-CD2 4.27Å; I124-L166 HydrophobicContact CG2-CD2 4.08Å; C158-L166 HydrophobicContact CB-CD1 4.38Å; L166-V168 HydrophobicContact CD2-CG2 4.17Å; L166-V168 HydrophobicContact CG-CG2 4.21Å
167	L	93.2	Very high	87.5	Confident	19 Å²	19	70.5 Å²	70.5	10%	0.099	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	127	172.4	-161.3	80.1	0	0	0	109.1	R100 L101 K102 C158 R159 V161 E169	R100-L167 HydrophobicContact CG-CD1 3.75Å; R100-L167 HydrophobicContact CG-CD2 4.39Å; R100-L167 HydrophobicContact CG-CG 4.21Å; L101-L167 WeakPolarHBondContact O-CA 3.41Å; K102-L167 HydrophobicContact CB-CD1 4.12Å; K102-L167 HydrophobicContact CG-CD1 4.3Å; C158-L167 CarbonylContact C-O 3.48Å; C158-L167 WeakPolarHBondContact CA-O 3.31Å; R159-L167 HydrophobicContact CG-CB 3.84Å; R159-L167 HydrophobicContact CG-CD2 4.4Å; R159-L167 PolarHBondContact N-O 2.87Å; R159-L167 PolarHBondContact O-N 3.19Å; V161-L167 HydrophobicContact CG2-CB 3.92Å; L167-E169 VanDerWaalsContact CD2-CD 3.47Å; L167-E169 HydrophobicContact CD2-CG 3.84Å; L167-E169 WeakPolarHBondContact CD2-OE2 2.96Å; L167-E169 HydrophobicContact CG-CG 4.09Å
168	V	93.8	Very high	85.7	Confident	4 Å²	4	73.1 Å²	73.1	2%	0.024	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	123.8	175.7	-176.4	0	0	0	0	107.9	L101 F103 L122 V156 E157 L166	L101-V168 HydrophobicContact CB-CB 4.19Å; L101-V168 HydrophobicContact CD1-CB 4.46Å; L101-V168 HydrophobicContact CD1-CG1 4.49Å; L101-V168 PolarHBondContact N-O 2.83Å; L101-V168 PolarHBondContact O-N 3.35Å; F103-V168 HydrophobicContact CD2-CG2 4.01Å; F103-V168 HydrophobicContact CE2-CB 4.39Å; F103-V168 HydrophobicContact CE2-CG2 3.89Å; L122-V168 HydrophobicContact CD2-CB 4.39Å; L122-V168 HydrophobicContact CD2-CG1 3.84Å; L122-V168 HydrophobicContact CD2-CG2 4.33Å; V156-V168 HydrophobicContact CG1-CG1 3.34Å; E157-V168 CarbonylContact O-C 3.52Å; E157-V168 WeakPolarHBondContact O-CA 3.24Å; L166-V168 HydrophobicContact CD2-CG2 4.17Å; L166-V168 HydrophobicContact CG-CG2 4.21Å
169	E	93.6	Very high	84	Confident	33 Å²	33	74.1 Å²	74.1	15%	0.154	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.5	-176.8	-67	-178.1	116.2	0	0	110.6	L99 R100 E157 R159 L167	L99-E169 VanDerWaalsContact O-CA 3.26Å; L99-E169 WeakPolarHBondContact O-CA 3.33Å; R100-E169 HydrophobicContact CB-CG 4.4Å; R100-E169 HydrophobicContact CG-CG 4.14Å; R100-E169 IonicContact CZ-OE1 3.19Å; R100-E169 IonicContact NE-OE1 2.71Å; R100-E169 PolarHBondContact NE-OE1 3.22Å; R100-E169 IonicContact NH2-OE1 2.74Å; R100-E169 PolarHBondContact NH2-OE1 2.77Å; E157-E169 PolarHBondContact N-O 3.15Å; E157-E169 PolarHBondContact O-N 3.35Å; R159-E169 IonicContact CZ-OE2 3.39Å; R159-E169 IonicContact NE-OE2 3.18Å; R159-E169 PolarHBondContact NE-OE2 3.45Å; R159-E169 IonicContact NH2-OE1 3.13Å; R159-E169 IonicContact NH2-OE2 2.8Å; R159-E169 PolarHBondContact NH2-OE2 3.41Å; L167-E169 VanDerWaalsContact CD2-CD 3.47Å; L167-E169 HydrophobicContact CD2-CG 3.84Å; L167-E169 WeakPolarHBondContact CD2-OE2 2.96Å; L167-E169 HydrophobicContact CG-CG 4.09Å
170	A	93	Very high	82.3	Confident	4 Å²	4	72.3 Å²	72.3	3%	0.033	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	143.6	173.2	0	0	0	0	0	110.2	K98 L99 V151 V156 Y172	K98-A170 CarbonylContact C-O 3.58Å; K98-A170 VanDerWaalsContact CA-O 3.28Å; K98-A170 WeakPolarHBondContact CA-O 3.49Å; L99-A170 PolarHBondContact N-O 3.33Å; L99-A170 PolarHBondContact O-N 2.62Å; V151-A170 HydrophobicContact CG1-CB 3.46Å; V151-A170 VanDerWaalsContact CG1-CB 3.46Å; V156-A170 HydrophobicContact CG2-CB 3.95Å; A170-Y172 PolarHBondContact O-N 3.41Å
171	P	92.9	Very high	81.1	Confident	54 Å²	54	76.9 Å²	76.9	35%	0.351	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	139.2	166.4	-23.9	34	0	0	0	111.3
172	Y	92.3	Very high	80.1	Confident	42 Å²	42	82.1 Å²	82.1	17%	0.165	46%	0.455	C	S	.	.			trans	-121.4	109.5	179.9	174.9	-115	0	0	0	109.8	I90 K97 P148 D149 V151 A170 P174	I90-Y172 HydrophobicContact CD1-CD1 4.1Å; I90-Y172 HydrophobicContact CD1-CE1 3.71Å; I90-Y172 HydrophobicContact CG1-CD1 4.35Å; I90-Y172 HydrophobicContact CG1-CE1 4.45Å; I90-Y172 HydrophobicContact CG2-CD1 3.67Å; I90-Y172 HydrophobicContact CG2-CE1 4.12Å; I90-Y172 HydrophobicContact CG2-CG 4.49Å; K97-Y172 HydrophobicContact CB-CD1 4.06Å; K97-Y172 WeakPolarHBondContact CB-O 3.23Å; K97-Y172 HydrophobicContact CD-CD1 4.45Å; K97-Y172 PolarHBondContact O-N 3.43Å; P148-Y172 HydrophobicContact CB-CE2 4.29Å; P148-Y172 HydrophobicContact CG-CD2 4.43Å; P148-Y172 HydrophobicContact CG-CE2 4.21Å; D149-Y172 VanDerWaalsContact O-CE2 3.24Å; D149-Y172 WeakPolarHBondContact O-CE2 3.25Å; V151-Y172 HydrophobicContact CG2-CD2 3.61Å; V151-Y172 HydrophobicContact CG2-CE2 4.47Å; V151-Y172 HydrophobicContact CG2-CG 4.4Å; A170-Y172 PolarHBondContact O-N 3.41Å; Y172-P174 HydrophobicContact CE1-CB 3.99Å; Y172-P174 HydrophobicContact CE1-CG 4.45Å; Y172-P174 WeakPolarHBondContact O-CD 3.44Å
173	E	88.3	Confident	79.9	Confident	129 Å²	129	80.5 Å²	80.5	60%	0.603	45%	0.453	S	S	*	.			trans	-105.1	98.3	175.3	-69.8	176.5	-169.6	0	0	108.6	G150	G150-E173 WeakPolarHBondContact CA-O 3.43Å; G150-E173 PolarHBondContact O-N 3.42Å
174	P	82.6	Confident	79.9	Confident	62 Å²	62	85.6 Å²	85.6	40%	0.403	47%	0.466	S	S	.	.			trans	-57.8	138.3	-177.8	24.4	-33.2	0	0	0	109.8	Y172 K176	Y172-P174 HydrophobicContact CE1-CB 3.99Å; Y172-P174 HydrophobicContact CE1-CG 4.45Å; Y172-P174 WeakPolarHBondContact O-CD 3.44Å; P174-K176 PolarHBondContact O-N 3.39Å
175	P	79.2	Confident	79.7	Confident	81 Å²	81	90.9 Å²	90.9	53%	0.526	50%	0.498	S	S	.	.			trans	-56.2	137.4	176	23.5	-32.3	0	0	0	108.9	D149 S177	D149-P175 HydrophobicContact CB-CG 4.42Å; P175-S177 VanDerWaalsContact C-N 3.32Å; P175-S177 PolarHBondContact O-N 3.04Å
176	K	70.2	Confident	79.2	Confident	211 Å²	211	93.1 Å²	93.1	92%	0.917	52%	0.518	S	S	*	.			trans	-61	96.7	174.9	-71.9	-179.3	-178.8	174.9	0	107.8	P174 E178	P174-K176 PolarHBondContact O-N 3.39Å; K176-E178 PolarHBondContact O-N 2.76Å; K176-E178 VanDerWaalsContact O-N 3.11Å
177	S	63.3	Low	78.8	Confident	91 Å²	91	102 Å²	102	64%	0.636	56%	0.556	S	S	*	*			trans	-72.6	106.3	178.6	66.2	0	0	0	0	108.6	P175 S179	P175-S177 VanDerWaalsContact C-N 3.32Å; P175-S177 PolarHBondContact O-N 3.04Å; S177-S179 WeakPolarHBondContact CB-OG 3.49Å; S177-S179 PolarHBondContact O-N 3.38Å; S177-S179 PolarHBondContact OG-OG 2.93Å
178	E	56.5	Low	78	Confident	207 Å²	207	109.6 Å²	109.6	97%	0.967	59%	0.591	S	S	*	*			trans	-71.5	66.1	155.8	-70.2	-177.4	169.3	0	0	108.4	K176	K176-E178 PolarHBondContact O-N 2.76Å; K176-E178 VanDerWaalsContact O-N 3.11Å
179	S	58.3	Low	77.1	Confident	79 Å²	79	122.1 Å²	122.1	55%	0.552	65%	0.649	S	S	*	*			trans	-127.3	97.2	174.5	59.1	0	0	0	0	107.8	S177 D181	S177-S179 WeakPolarHBondContact CB-OG 3.49Å; S177-S179 PolarHBondContact O-N 3.38Å; S177-S179 PolarHBondContact OG-OG 2.93Å; S179-D181 PolarHBondContact O-N 3.41Å
180	A	57.2	Low	76.3	Confident	92 Å²	92	126.6 Å²	126.6	76%	0.76	67%	0.674	S	S	*	*			trans	-53.2	128.1	168.1	0	0	0	0	0	109.2	Q182	A180-Q182 PolarHBondContact O-N 3.47Å
181	D	66.5	Low	75.4	Confident	165 Å²	165	133 Å²	133	88%	0.882	71%	0.708	S	S	*	*			trans	-53.6	102.8	170.7	-68.5	-41.8	0	0	0	108.9	S179	S179-D181 PolarHBondContact O-N 3.41Å
182	Q	68.9	Low	74.4	Confident	168 Å²	168	137.4 Å²	137.4	79%	0.785	73%	0.727	S	S	*	*			trans	-86.8	122	169.2	-76	-165.4	-9.9	0	0	108.4	A180 I184	A180-Q182 PolarHBondContact O-N 3.47Å; Q182-I184 PolarHBondContact O-N 2.94Å; Q182-I184 VanDerWaalsContact O-N 3.12Å
183	P	78.8	Confident	73.4	Confident	120 Å²	120	143 Å²	143	78%	0.779	76%	0.761	S	S	*	*			trans	-65.3	115.7	178.1	25.2	-32.2	0	0	0	110.2	T185	P183-T185 PolarHBondContact O-N 2.92Å
184	I	79.6	Confident	72.5	Confident	161 Å²	161	143.9 Å²	143.9	83%	0.826	77%	0.77	S	S	*	*			trans	-80.1	107.7	170.4	-57	173.1	0	0	0	107.3	Q182 V186	Q182-I184 PolarHBondContact O-N 2.94Å; Q182-I184 VanDerWaalsContact O-N 3.12Å; I184-V186 PolarHBondContact O-N 3.27Å
185	T	81.1	Confident	71.8	Confident	114 Å²	114	149.3 Å²	149.3	70%	0.699	80%	0.795	S	S	*	*			trans	-81.3	116.4	171.9	-56.4	0	0	0	0	109.7	P183 K187	P183-T185 PolarHBondContact O-N 2.92Å; T185-K187 PolarHBondContact O-N 3.21Å
186	V	80.6	Confident	71.2	Confident	111 Å²	111	154.2 Å²	154.2	67%	0.673	81%	0.814	S	S	*	*			trans	-70.5	113	171.4	-178.9	0	0	0	0	108.4	I184	I184-V186 PolarHBondContact O-N 3.27Å
187	K	83.8	Confident	71.3	Confident	195 Å²	195	149.8 Å²	149.8	85%	0.848	81%	0.806	S	S	*	*			trans	-87	125.2	169.5	-65.3	-175.8	179.7	-179.7	0	108.5	T185	T185-K187 PolarHBondContact O-N 3.21Å
188	H	76.4	Confident	72	Confident	179 Å²	179	154.8 Å²	154.8	83%	0.829	82%	0.82	S	S	*	*			trans	-93.9	133.7	164.3	-81.7	-79.9	0	0	0	108.7
189	E	76.2	Confident	73.4	Confident	266 Å²	266	150 Å²	150	100%	1.243	81%	0.807	S	S	*	*			trans	-89.4	0	165.2	-171.8	174.1	-175.7	0	0	109.9

Retrieved 189 of 189 residues in 85.2 ms (Link to these results)

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