A0A077ZBH8_TRITR Loading...

Deoxyribonuclease (DNase) II

AlphaFold DB , UniProt , Accession A0A077ZBH8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 296 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	26.4	Very low	28.7	Very low	241 Å²	241	152 Å²	152	100%	1.187	86%	0.864	S	S	*	*				0	161.3	0	-71.4	169.5	178.7	0	0	107	A3	M1-A3 PolarHBondContact O-N 2.81Å
2	C	25.3	Very low	28.7	Very low	130 Å²	130	147.7 Å²	147.7	88%	0.878	85%	0.85	S	S	*	*			trans	-38.1	149.4	163.8	-65.3	0	0	0	0	109.4
3	A	35.5	Very low	28.9	Very low	94 Å²	94	154.7 Å²	154.7	78%	0.777	86%	0.857	S	S	*	*				-162.1	125.9	98.9	0	0	0	0	0	108.7	M1 K5	M1-A3 PolarHBondContact O-N 2.81Å; A3-K5 PolarHBondContact O-N 2.69Å
4	G	29.8	Very low	29.4	Very low	75 Å²	75	150.9 Å²	150.9	77%	0.773	85%	0.846	S	S	*	*			trans	-53.4	137.3	179.1	0	0	0	0	0	112.7
5	K	28.5	Very low	29.9	Very low	198 Å²	198	148.9 Å²	148.9	86%	0.861	84%	0.842	S	S	*	*			trans	-179.9	127.5	137	-103	176	-178.1	-179.6	0	109.4	A3	A3-K5 PolarHBondContact O-N 2.69Å
6	S	32.9	Very low	30	Very low	104 Å²	104	148.8 Å²	148.8	73%	0.727	84%	0.838	S	S	*	*			trans	47.8	106.4	149.9	56.2	0	0	0	0	119.8
7	Q	28	Very low	30.1	Very low	194 Å²	194	151.8 Å²	151.8	91%	0.907	84%	0.84	S	S	*	*			trans	-175.5	147.4	149.6	-100	164.2	41.8	0	0	106.6
8	C	28.2	Very low	30.2	Very low	115 Å²	115	150.6 Å²	150.6	78%	0.777	83%	0.831	S	S	*	*			cis	-157.5	138	17.3	-140.8	0	0	0	0	109.2
9	K	24.5	Very low	30.1	Very low	195 Å²	195	151.1 Å²	151.1	85%	0.848	83%	0.831	S	S	*	*			trans	-75.8	131.9	166.3	-89.1	177.3	171.8	177.4	0	109.2
10	M	29.1	Very low	30	Very low	190 Å²	190	147.4 Å²	147.4	94%	0.936	82%	0.816	S	S	*	*			trans	-154.2	101.3	137	-89.7	-160.5	-50	0	0	108
11	T	27.3	Very low	30	Very low	136 Å²	136	144.8 Å²	144.8	83%	0.834	81%	0.808	S	S	*	*			trans	-90.7	121.6	169	43	0	0	0	0	108.8
12	S	28.7	Very low	30.2	Very low	100 Å²	100	141.1 Å²	141.1	70%	0.699	79%	0.785	S	S	*	*			trans	155.8	103.4	141.9	170.9	0	0	0	0	109.6
13	Y	32.1	Very low	30.4	Very low	239 Å²	239	140.1 Å²	140.1	94%	0.937	78%	0.775	S	S	*	*			trans	-151.2	103.3	139.5	-92.1	-73.6	0	0	0	108.2
14	S	35.4	Very low	30	Very low	101 Å²	101	141.5 Å²	141.5	71%	0.706	77%	0.769	S	S	*	*			trans	-78.1	142.3	157.6	-179.5	0	0	0	0	107.6	L16	S14-L16 PolarHBondContact O-N 3.12Å
15	P	37.4	Very low	30	Very low	121 Å²	121	143.5 Å²	143.5	79%	0.786	76%	0.761	S	S	*	*			trans	-73	99.5	-177.6	29.5	-31.5	0	0	0	109.3	K17	P15-K17 PolarHBondContact O-N 3.01Å
16	L	31.4	Very low	29.9	Very low	147 Å²	147	140.4 Å²	140.4	77%	0.77	75%	0.749	S	S	*	*			trans	-60.6	123.1	164.2	-170	68.5	0	0	0	107.6	S14 L18	S14-L16 PolarHBondContact O-N 3.12Å; L16-L18 HydrophobicContact CD2-CD1 4.48Å; L16-L18 PolarHBondContact O-N 3.34Å
17	K	30.6	Very low	29.7	Very low	200 Å²	200	144.2 Å²	144.2	87%	0.87	75%	0.753	S	S	*	*			trans	-53.8	89.2	165.4	-70.1	177.2	176.4	179.5	0	108.8	P15 L19	P15-K17 PolarHBondContact O-N 3.01Å; K17-L19 VanDerWaalsContact C-N 3.28Å; K17-L19 PolarHBondContact O-N 2.8Å
18	L	31.9	Very low	29.6	Very low	131 Å²	131	140.6 Å²	140.6	69%	0.686	74%	0.739	S	S	*	*			trans	-73.8	92.5	162.2	-120.1	85.9	0	0	0	106.2	L16 C20	L16-L18 HydrophobicContact CD2-CD1 4.48Å; L16-L18 PolarHBondContact O-N 3.34Å; L18-C20 PolarHBondContact O-N 3.08Å
19	L	29.6	Very low	29.6	Very low	160 Å²	160	142.8 Å²	142.8	84%	0.838	74%	0.737	S	S	*	*			trans	-59	79.6	143.9	-92.3	145.5	0	0	0	106.1	K17 S21	K17-L19 VanDerWaalsContact C-N 3.28Å; K17-L19 PolarHBondContact O-N 2.8Å; L19-S21 PolarHBondContact O-N 2.62Å
20	C	28.3	Very low	29.8	Very low	77 Å²	77	137.1 Å²	137.1	52%	0.52	72%	0.719	S	S	.	*			trans	-70.6	81.8	162	-132.9	0	0	0	0	104.5	L18 F22	L18-C20 PolarHBondContact O-N 3.08Å; C20-F22 HydrophobicContact CB-CD2 4.01Å; C20-F22 HydrophobicContact CB-CE2 4.27Å; C20-F22 PolarHBondContact O-N 2.87Å
21	S	29.7	Very low	29.7	Very low	92 Å²	92	132.8 Å²	132.8	64%	0.643	70%	0.703	S	S	*	*			trans	-57.7	81.4	148.6	-65.1	0	0	0	0	105.5	L19 V23	L19-S21 PolarHBondContact O-N 2.62Å; S21-V23 PolarHBondContact O-N 2.71Å
22	F	29.3	Very low	30	Very low	164 Å²	164	131 Å²	131	72%	0.719	69%	0.688	S	S	*	*			trans	-57.9	83.7	146.8	-88.9	-91.6	0	0	0	104.2	C20 L24	C20-F22 HydrophobicContact CB-CD2 4.01Å; C20-F22 HydrophobicContact CB-CE2 4.27Å; C20-F22 PolarHBondContact O-N 2.87Å; F22-L24 PolarHBondContact O-N 2.82Å
23	V	29.9	Very low	30.2	Very low	110 Å²	110	133 Å²	133	67%	0.667	70%	0.696	S	S	*	*			trans	-57.9	85.4	143.1	-176.4	0	0	0	0	102.5	S21 I25	S21-V23 PolarHBondContact O-N 2.71Å; V23-I25 HydrophobicContact CG1-CG1 3.71Å; V23-I25 PolarHBondContact O-N 2.8Å
24	L	28.2	Very low	30.8	Very low	122 Å²	122	124.3 Å²	124.3	64%	0.639	68%	0.679	S	S	*	*			trans	-54	84.7	150.5	-107.8	130	0	0	0	103	F22 H26	F22-L24 PolarHBondContact O-N 2.82Å; L24-H26 PolarHBondContact O-N 2.92Å
25	I	29.8	Very low	31.7	Very low	118 Å²	118	125 Å²	125	61%	0.605	68%	0.675	S	S	*	*			trans	-58.8	87.7	153.1	-59.1	177.2	0	0	0	101.1	V23 F27	V23-I25 HydrophobicContact CG1-CG1 3.71Å; V23-I25 PolarHBondContact O-N 2.8Å; I25-F27 HydrophobicContact CG2-CD2 4.21Å; I25-F27 HydrophobicContact CG2-CE2 4.23Å; I25-F27 PolarHBondContact O-N 3.35Å
26	H	25.9	Very low	32.9	Very low	133 Å²	133	124.2 Å²	124.2	62%	0.616	67%	0.67	S	S	*	*			trans	-53.9	99.8	155.3	-81.9	45.8	0	0	0	102.5	L24 I28	L24-H26 PolarHBondContact O-N 2.92Å; H26-I28 HydrophobicContact CB-CD1 4.34Å; H26-I28 HydrophobicContact CB-CG1 3.55Å; H26-I28 PolarHBondContact O-N 3.08Å
27	F	27.6	Very low	34.7	Very low	183 Å²	183	121.5 Å²	121.5	80%	0.803	66%	0.655	S	S	*	*			trans	-58.3	77.9	143.3	-76.7	-87.2	0	0	0	104.4	I25 Q29	I25-F27 HydrophobicContact CG2-CD2 4.21Å; I25-F27 HydrophobicContact CG2-CE2 4.23Å; I25-F27 PolarHBondContact O-N 3.35Å; F27-Q29 PolarHBondContact O-N 3.38Å
28	I	26.4	Very low	37	Very low	119 Å²	119	113.9 Å²	113.9	61%	0.61	63%	0.626	S	S	*	*			trans	-65.5	81.4	153.2	-46.1	-178.1	0	0	0	101.6	H26 V30	H26-I28 HydrophobicContact CB-CD1 4.34Å; H26-I28 HydrophobicContact CB-CG1 3.55Å; H26-I28 PolarHBondContact O-N 3.08Å; I28-V30 HydrophobicContact CB-CG2 4.28Å; I28-V30 HydrophobicContact CG2-CB 4.32Å; I28-V30 HydrophobicContact CG2-CG2 3.4Å; I28-V30 PolarHBondContact O-N 2.88Å
29	Q	28.6	Very low	39.4	Very low	161 Å²	161	109.5 Å²	109.5	75%	0.752	60%	0.603	S	S	*	*			trans	-54.1	97.7	137.7	-77.7	-170.4	-71.4	0	0	102.4	F27 T31	F27-Q29 PolarHBondContact O-N 3.38Å; Q29-T31 PolarHBondContact O-N 2.81Å; Q29-T31 PolarHBondContact O-OG1 2.76Å
30	V	28.5	Very low	41.6	Very low	75 Å²	75	101.9 Å²	101.9	46%	0.455	56%	0.563	S	S	.	*			trans	-65.9	75	157.4	-177.7	0	0	0	0	102.7	I28 L32 D98	I28-V30 HydrophobicContact CB-CG2 4.28Å; I28-V30 HydrophobicContact CG2-CB 4.32Å; I28-V30 HydrophobicContact CG2-CG2 3.4Å; I28-V30 PolarHBondContact O-N 2.88Å; V30-L32 HydrophobicContact CG1-CD2 4.44Å; V30-L32 HydrophobicContact CG1-CG 4.26Å; V30-L32 PolarHBondContact O-N 3.05Å; V30-D98 HydrophobicContact CG1-CB 4.46Å
31	T	28.2	Very low	43.8	Very low	100 Å²	100	101.8 Å²	101.8	61%	0.613	56%	0.555	S	S	*	*			trans	-63.2	93.6	155.6	-14.9	0	0	0	0	101.2	Q29 T33	Q29-T31 PolarHBondContact O-N 2.81Å; Q29-T31 PolarHBondContact O-OG1 2.76Å; T31-T33 PolarHBondContact O-N 2.77Å
32	L	33	Very low	45.7	Very low	98 Å²	98	98.2 Å²	98.2	51%	0.513	53%	0.533	S	S	.	.			trans	-49	105.3	157.3	-76	164.4	0	0	0	103.7	V30 G34	V30-L32 HydrophobicContact CG1-CD2 4.44Å; V30-L32 HydrophobicContact CG1-CG 4.26Å; V30-L32 PolarHBondContact O-N 3.05Å; L32-G34 PolarHBondContact O-N 3.32Å
33	T	32.4	Very low	47.7	Very low	141 Å²	141	94.9 Å²	94.9	87%	0.865	54%	0.536	S	S	*	.	S	Bend	trans	-72.9	98.7	-172	28.7	0	0	0	0	105.6	T31	T31-T33 PolarHBondContact O-N 2.77Å
34	G	46	Very low	49.9	Very low	57 Å²	57	92.3 Å²	92.3	59%	0.588	53%	0.531	S	S	*	.	S	Bend	trans	91.5	138.5	-176.4	0	0	0	0	0	113.1	L32	L32-G34 PolarHBondContact O-N 3.32Å
35	D	54	Low	52.5	Low	117 Å²	117	91.4 Å²	91.4	63%	0.626	52%	0.522	S	S	*	.			trans	-58.3	136.5	164.5	-65.8	-43.4	0	0	0	108.3	M37 S168	D35-M37 PolarHBondContact O-N 2.94Å; D35-S168 PolarHBondContact OD2-OG 3.01Å
36	P	61.7	Low	55.2	Low	104 Å²	104	89.5 Å²	89.5	68%	0.675	51%	0.511	S	S	*	.			trans	-58.4	114.5	178.2	22.9	-31.9	0	0	0	109.7
37	M	69.7	Low	58.2	Low	90 Å²	90	84 Å²	84	44%	0.443	49%	0.485	S	S	.	.			trans	-92.6	156.5	175.5	-62.7	-171.8	69	0	0	110.8	D35 N39 E46	D35-M37 PolarHBondContact O-N 2.94Å; M37-N39 PolarHBondContact O-N 3.22Å; M37-E46 HydrophobicContact CB-CB 3.74Å; M37-E46 HydrophobicContact CB-CG 4.08Å; M37-E46 HydrophobicContact CE-CB 3.72Å; M37-E46 HydrophobicContact CG-CB 4.37Å; M37-E46 HydrophobicContact SD-CB 3.76Å; M37-E46 HydrophobicContact SD-CG 4.38Å
38	C	78.1	Confident	61.1	Low	40 Å²	40	76.5 Å²	76.5	27%	0.27	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	109.1	176.2	-64.7	0	0	0	0	109.2	D40 E46 K47 V50 L85	C38-D40 PolarHBondContact O-N 2.89Å; C38-E46 CarbonylContact O-C 3.52Å; C38-E46 WeakPolarHBondContact O-CA 3.47Å; C38-K47 HydrophobicContact CB-CB 4.48Å; C38-K47 WeakPolarHBondContact CB-O 3.43Å; C38-K47 PolarHBondContact N-O 3.29Å; C38-K47 PolarHBondContact O-N 2.95Å; C38-V50 HydrophobicContact CB-CG2 3.84Å; C38-L85 HydrophobicContact CB-CD1 4.02Å
39	N	82	Confident	64.1	Low	39 Å²	39	71.7 Å²	71.7	21%	0.209	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	90.6	175.2	-154.9	15.9	0	0	0	110.3	M37 E41 G42 A43 L85 N88	M37-N39 PolarHBondContact O-N 3.22Å; N39-E41 CarbonylContact C-O 3.47Å; N39-E41 PolarHBondContact ND2-O 2.94Å; N39-E41 PolarHBondContact O-N 3.36Å; N39-E41 PolarHBondContact OD1-O 2.97Å; N39-G42 PolarHBondContact OD1-O 2.82Å; N39-A43 PolarHBondContact ND2-N 3.23Å; N39-L85 WeakPolarHBondContact O-CD1 3.4Å; N39-N88 HydrophobicContact CB-CB 4.37Å; N39-N88 PolarHBondContact O-ND2 3.15Å
40	D	77.4	Confident	67.2	Low	0 Å²	0	65.4 Å²	65.4	0%	0	40%	0.4	C	S	.	.			trans	-92.3	89.2	-179.5	-169.3	28.6	0	0	0	108.8	C38 K45 K47 V50 K63 N65	C38-D40 PolarHBondContact O-N 2.89Å; D40-K45 PolarHBondContact N-O 3.42Å; D40-K45 WeakPolarHBondContact O-CB 3.43Å; D40-K47 HydrophobicContact CB-CB 4.22Å; D40-K47 HydrophobicContact CB-CG 3.38Å; D40-V50 HydrophobicContact CB-CG2 3.75Å; D40-K63 VanDerWaalsContact CG-NZ 3.34Å; D40-K63 WeakPolarHBondContact OD1-CD 3.35Å; D40-K63 WeakPolarHBondContact OD1-CE 3.28Å; D40-K63 IonicContact OD1-NZ 3.3Å; D40-K63 PolarHBondContact OD1-NZ 3.47Å; D40-K63 IonicContact OD2-NZ 2.62Å; D40-K63 PolarHBondContact OD2-NZ 3.4Å; D40-N65 PolarHBondContact OD2-ND2 3.5Å
41	E	74.3	Confident	70.3	Confident	74 Å²	74	63 Å²	63	35%	0.346	39%	0.385	S	S	.	.	S	Bend	trans	95.1	174.7	-160.4	-55.8	155.5	-163.2	0	0	111.9	N39 K45 K63 D82 N88	N39-E41 CarbonylContact C-O 3.47Å; N39-E41 PolarHBondContact ND2-O 2.94Å; N39-E41 PolarHBondContact O-N 3.36Å; N39-E41 PolarHBondContact OD1-O 2.97Å; E41-K45 HydrophobicContact CB-CB 3.82Å; E41-K45 HydrophobicContact CB-CG 3.86Å; E41-K63 IonicContact OE1-NZ 3.54Å; E41-D82 CarbonylContact C-O 3.15Å; E41-D82 VanDerWaalsContact CA-O 3.29Å; E41-D82 WeakPolarHBondContact CA-O 3.26Å; E41-N88 PolarHBondContact O-ND2 3.46Å; E41-N88 VanDerWaalsContact O-ND2 3.17Å
42	G	70.1	Confident	73.3	Confident	18 Å²	18	60.8 Å²	60.8	19%	0.186	37%	0.368	C	S	.	.	S	Bend	trans	-60.9	178.8	-173.5	0	0	0	0	0	114.1	N39 G44 K45 D82	N39-G42 PolarHBondContact OD1-O 2.82Å; G42-G44 PolarHBondContact O-N 3.23Å; G42-K45 VanDerWaalsContact O-CB 3.25Å; G42-K45 WeakPolarHBondContact O-CB 3.48Å; G42-K45 WeakPolarHBondContact O-CG 3.4Å; G42-K45 PolarHBondContact O-N 3.17Å; G42-D82 PolarHBondContact N-O 3.47Å
43	A	70.8	Confident	76.1	Confident	94 Å²	94	56.7 Å²	56.7	78%	0.777	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.3	135.9	-177	0	0	0	0	0	113.9	N39	N39-A43 PolarHBondContact ND2-N 3.23Å
44	G	75.5	Confident	78.9	Confident	55 Å²	55	55 Å²	55	57%	0.567	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	9.1	-176.1	0	0	0	0	0	114.5	G42 E46	G42-G44 PolarHBondContact O-N 3.23Å; G44-E46 WeakPolarHBondContact CA-OE1 3.4Å; G44-E46 WeakPolarHBondContact CA-OE2 3.41Å; G44-E46 PolarHBondContact N-OE1 3.08Å
45	K	83.8	Confident	80.7	Confident	103 Å²	103	52.9 Å²	52.9	45%	0.448	30%	0.303	S	S	.	.			trans	-115.3	33.5	177	-58.5	-68.2	-174.8	175.3	0	111.6	D40 E41 G42 K47	D40-K45 PolarHBondContact N-O 3.42Å; D40-K45 WeakPolarHBondContact O-CB 3.43Å; E41-K45 HydrophobicContact CB-CB 3.82Å; E41-K45 HydrophobicContact CB-CG 3.86Å; G42-K45 VanDerWaalsContact O-CB 3.25Å; G42-K45 WeakPolarHBondContact O-CB 3.48Å; G42-K45 WeakPolarHBondContact O-CG 3.4Å; G42-K45 PolarHBondContact O-N 3.17Å; K45-K47 WeakPolarHBondContact O-CE 3.26Å; K45-K47 PolarHBondContact O-N 2.84Å
46	E	85.5	Confident	82.1	Confident	78 Å²	78	51.6 Å²	51.6	36%	0.364	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	130.8	179	-59.9	77.9	-165.9	0	0	110.8	M37 C38 G44	M37-E46 HydrophobicContact CB-CB 3.74Å; M37-E46 HydrophobicContact CB-CG 4.08Å; M37-E46 HydrophobicContact CE-CB 3.72Å; M37-E46 HydrophobicContact CG-CB 4.37Å; M37-E46 HydrophobicContact SD-CB 3.76Å; M37-E46 HydrophobicContact SD-CG 4.38Å; C38-E46 CarbonylContact O-C 3.52Å; C38-E46 WeakPolarHBondContact O-CA 3.47Å; G44-E46 WeakPolarHBondContact CA-OE1 3.4Å; G44-E46 WeakPolarHBondContact CA-OE2 3.41Å; G44-E46 PolarHBondContact N-OE1 3.08Å
47	K	87.9	Confident	83.3	Confident	19 Å²	19	49.5 Å²	49.5	8%	0.083	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	146.1	174.8	-53.7	-60.4	169.7	174.3	0	109	C38 D40 K45 W49 V50 N65 E67	C38-K47 HydrophobicContact CB-CB 4.48Å; C38-K47 WeakPolarHBondContact CB-O 3.43Å; C38-K47 PolarHBondContact N-O 3.29Å; C38-K47 PolarHBondContact O-N 2.95Å; D40-K47 HydrophobicContact CB-CB 4.22Å; D40-K47 HydrophobicContact CB-CG 3.38Å; K45-K47 WeakPolarHBondContact O-CE 3.26Å; K45-K47 PolarHBondContact O-N 2.84Å; K47-W49 VanDerWaalsContact C-N 3.33Å; K47-V50 HydrophobicContact CB-CG2 3.96Å; K47-V50 HydrophobicContact CG-CG2 4.34Å; K47-N65 HydrophobicContact CB-CB 4.33Å; K47-N65 HydrophobicContact CD-CB 4.38Å; K47-N65 HydrophobicContact CG-CB 4.04Å; K47-E67 HydrophobicContact CD-CB 4.38Å; K47-E67 HydrophobicContact CD-CG 4.14Å; K47-E67 IonicContact NZ-OE2 2.9Å; K47-E67 PolarHBondContact NZ-OE2 3.17Å
48	D	88.5	Confident	83.9	Confident	25 Å²	25	49.2 Å²	49.2	13%	0.134	29%	0.287	C	S	.	.	S	Bend	trans	-69.3	-37.2	179.9	-169.3	41	0	0	0	111.4	S66 T167 S168 G169	D48-S66 WeakPolarHBondContact CB-OG 3.42Å; D48-S66 PolarHBondContact N-OG 3.22Å; D48-T167 VanDerWaalsContact CG-CB 3.44Å; D48-T167 VanDerWaalsContact CG-OG1 3.29Å; D48-T167 WeakPolarHBondContact OD1-CB 3.48Å; D48-T167 PolarHBondContact OD1-OG1 3.03Å; D48-T167 WeakPolarHBondContact OD2-CB 3.29Å; D48-T167 PolarHBondContact OD2-OG1 2.94Å; D48-S168 PolarHBondContact OD1-N 3.32Å; D48-G169 VanDerWaalsContact CG-CA 3.5Å; D48-G169 VanDerWaalsContact OD1-CA 3.3Å; D48-G169 WeakPolarHBondContact OD1-CA 3.32Å; D48-G169 PolarHBondContact OD1-N 3.46Å
49	W	90.9	Very high	84.3	Confident	17 Å²	17	53.1 Å²	53.1	6%	0.064	30%	0.3	C	S	.	.			trans	-153.8	153.4	170.6	55.4	-96.2	0	0	0	109.7	K47 L51 V64 N65 S66 V69 T173 F175 V281	K47-W49 VanDerWaalsContact C-N 3.33Å; W49-L51 HydrophobicContact CZ3-CB 4.36Å; W49-V64 HydrophobicContact CZ3-CG1 4.33Å; W49-N65 WeakPolarHBondContact O-CA 3.4Å; W49-S66 PolarHBondContact O-N 3.21Å; W49-V69 HydrophobicContact CH2-CG1 3.74Å; W49-V69 HydrophobicContact CZ2-CG1 3.71Å; W49-T173 PolarHBondContact NE1-OG1 3Å; W49-F175 HydrophobicContact CB-CZ 4.13Å; W49-F175 HydrophobicContact CG-CE2 4.39Å; W49-F175 HydrophobicContact CG-CZ 4.15Å; W49-V281 HydrophobicContact CH2-CG2 3.48Å; W49-V281 VanDerWaalsContact CH2-CG2 3.48Å; W49-V281 HydrophobicContact CZ2-CG2 4.27Å; W49-V281 HydrophobicContact CZ3-CG2 4.15Å
50	V	92.6	Very high	84.6	Confident	30 Å²	30	56.2 Å²	56.2	18%	0.182	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	134.6	170.8	-173.3	0	0	0	0	107.7	C38 D40 K47 I52 K63 N65 L85	C38-V50 HydrophobicContact CB-CG2 3.84Å; D40-V50 HydrophobicContact CB-CG2 3.75Å; K47-V50 HydrophobicContact CB-CG2 3.96Å; K47-V50 HydrophobicContact CG-CG2 4.34Å; V50-I52 HydrophobicContact CG1-CG1 4.1Å; V50-K63 HydrophobicContact CG1-CB 4.16Å; V50-N65 HydrophobicContact CG1-CB 4.4Å; V50-N65 HydrophobicContact CG2-CB 4.04Å; V50-L85 HydrophobicContact CB-CD2 3.74Å; V50-L85 HydrophobicContact CG1-CD2 3.85Å; V50-L85 HydrophobicContact CG2-CD2 3.99Å
51	L	93.6	Very high	85.3	Confident	25 Å²	25	56.2 Å²	56.2	13%	0.131	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.9	172.7	175.5	67.8	0	0	0	108.6	W49 K63 V64 W72 F257 V281 F285	W49-L51 HydrophobicContact CZ3-CB 4.36Å; L51-K63 CarbonylContact O-C 3.49Å; L51-K63 VanDerWaalsContact O-CA 3.25Å; L51-K63 WeakPolarHBondContact O-CA 3.34Å; L51-V64 HydrophobicContact CB-CG1 3.8Å; L51-V64 HydrophobicContact CD2-CG1 4.03Å; L51-V64 HydrophobicContact CG-CG1 4.28Å; L51-V64 PolarHBondContact N-O 2.91Å; L51-V64 PolarHBondContact O-N 2.94Å; L51-W72 HydrophobicContact CD2-CH2 3.78Å; L51-W72 HydrophobicContact CD2-CZ2 4.33Å; L51-W72 HydrophobicContact CG-CH2 4.06Å; L51-F257 HydrophobicContact CD1-CE1 4.04Å; L51-F257 HydrophobicContact CD1-CE2 3.83Å; L51-F257 HydrophobicContact CD1-CZ 3.47Å; L51-F257 VanDerWaalsContact CD1-CZ 3.47Å; L51-F257 HydrophobicContact CD2-CE2 4.41Å; L51-F257 HydrophobicContact CD2-CZ 3.73Å; L51-F257 HydrophobicContact CG-CZ 4.26Å; L51-V281 HydrophobicContact CD2-CG1 4.03Å; L51-F285 HydrophobicContact CD2-CE2 3.53Å; L51-F285 HydrophobicContact CD2-CZ 3.79Å
52	I	92.3	Very high	86.1	Confident	52 Å²	52	52.7 Å²	52.7	27%	0.267	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130	178.7	-58.5	179.7	0	0	0	108.9	V50 Q62 K63 L77 L85	V50-I52 HydrophobicContact CG1-CG1 4.1Å; I52-Q62 CarbonylContact C-O 3.58Å; I52-Q62 VanDerWaalsContact CA-O 3.31Å; I52-Q62 WeakPolarHBondContact CA-O 2.97Å; I52-K63 HydrophobicContact CG1-CB 3.97Å; I52-L77 HydrophobicContact CD1-CD2 4.12Å; I52-L77 HydrophobicContact CG2-CD1 4.39Å; I52-L77 HydrophobicContact CG2-CD2 4.06Å; I52-L85 HydrophobicContact CD1-CD2 3.96Å
53	Y	92	Very high	87.2	Confident	13 Å²	13	52.3 Å²	52.3	5%	0.051	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.2	164.7	-151	-73.3	0	0	0	108.8	G61 Q62 F230 V232 I237 D242 S244	Y53-G61 CarbonylContact O-C 3.5Å; Y53-G61 WeakPolarHBondContact O-CA 3.44Å; Y53-Q62 PolarHBondContact N-O 3.39Å; Y53-Q62 PolarHBondContact O-N 3.06Å; Y53-Q62 PolarHBondContact O-OE1 3.31Å; Y53-F230 HydrophobicContact CE1-CZ 4.11Å; Y53-F230 HydrophobicContact CE2-CE2 4.2Å; Y53-F230 AromaticContact CE2-CZ 3.78Å; Y53-F230 HydrophobicContact CE2-CZ 3.78Å; Y53-F230 AromaticContact CZ-CZ 3.45Å; Y53-F230 VanDerWaalsContact CZ-CZ 3.45Å; Y53-F230 VanDerWaalsContact OH-CZ 3.22Å; Y53-F230 WeakPolarHBondContact OH-CZ 3.32Å; Y53-V232 HydrophobicContact CD1-CG2 4.34Å; Y53-V232 HydrophobicContact CD2-CG2 4.5Å; Y53-V232 HydrophobicContact CG-CG2 4.18Å; Y53-I237 HydrophobicContact CD1-CD1 4Å; Y53-I237 HydrophobicContact CD1-CG1 4.18Å; Y53-I237 HydrophobicContact CE1-CB 4.44Å; Y53-I237 HydrophobicContact CE1-CD1 3.88Å; Y53-I237 HydrophobicContact CE1-CG1 3.83Å; Y53-I237 HydrophobicContact CE1-CG2 3.82Å; Y53-D242 PolarHBondContact OH-OD1 3.4Å; Y53-D242 VanDerWaalsContact OH-OD1 3.11Å; Y53-D242 PolarHBondContact OH-OD2 3.03Å; Y53-S244 PolarHBondContact OH-OG 3.45Å
54	K	89.8	Confident	88.3	Confident	104 Å²	104	48 Å²	48	45%	0.452	25%	0.252	S	S	.	.			trans	-111.4	114.9	-177.4	-167.3	-169.2	77.1	68.1	0	110.6	K60 L77	K54-K60 WeakPolarHBondContact CG-O 3.33Å; K54-L77 HydrophobicContact CB-CD1 4.21Å; K54-L77 HydrophobicContact CD-CD1 3.82Å; K54-L77 HydrophobicContact CG-CD1 3.58Å
55	P	84.7	Confident	89.1	Confident	13 Å²	13	45.9 Å²	45.9	8%	0.084	23%	0.228	C	C	.	.			trans	-67.1	-174.2	168.8	32.2	-40.8	0	0	0	112.2	D57 K60 I237	P55-D57 VanDerWaalsContact C-N 3.34Å; P55-D57 PolarHBondContact O-N 3.19Å; P55-K60 VanDerWaalsContact CD-O 3.31Å; P55-K60 WeakPolarHBondContact CD-O 3.34Å; P55-K60 HydrophobicContact CG-CB 3.76Å; P55-I237 HydrophobicContact CB-CD1 3.78Å
56	T	84	Confident	89.6	Confident	91 Å²	91	42 Å²	42	56%	0.558	21%	0.214	S	C	*	.	S	Bend	trans	-65.1	-34	178.4	38.1	0	0	0	0	114.5	P58 K241	T56-P58 WeakPolarHBondContact O-CD 3.25Å; T56-K241 HydrophobicContact CG2-CB 3.39Å; T56-K241 HydrophobicContact CG2-CD 3.72Å; T56-K241 HydrophobicContact CG2-CG 4.05Å
57	D	86.3	Confident	89.8	Confident	59 Å²	59	43 Å²	43	32%	0.316	22%	0.218	S	C	.	.	S	Bend	trans	-65.7	117.3	173.6	-175.7	-16.3	0	0	0	108.6	P55 K59 K60	P55-D57 VanDerWaalsContact C-N 3.34Å; P55-D57 PolarHBondContact O-N 3.19Å; D57-K59 PolarHBondContact O-N 3.01Å; D57-K59 WeakPolarHBondContact OD1-CB 3.42Å; D57-K59 PolarHBondContact OD1-N 3.49Å; D57-K60 HydrophobicContact CB-CB 4.24Å; D57-K60 HydrophobicContact CB-CD 4.25Å; D57-K60 HydrophobicContact CB-CG 4.17Å; D57-K60 PolarHBondContact O-N 3.44Å; D57-K60 WeakPolarHBondContact OD2-CE 3.13Å
58	P	81.8	Confident	90	Very high	84 Å²	84	44.4 Å²	44.4	55%	0.545	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-19.6	-177.5	28.3	-36	0	0	0	113.3	T56	T56-P58 WeakPolarHBondContact O-CD 3.25Å
59	K	87.3	Confident	90.2	Very high	123 Å²	123	44.5 Å²	44.5	54%	0.535	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-32.5	177.5	-57.7	-168.7	176.2	-175	0	111.9	D57 D76 L77 T78	D57-K59 PolarHBondContact O-N 3.01Å; D57-K59 WeakPolarHBondContact OD1-CB 3.42Å; D57-K59 PolarHBondContact OD1-N 3.49Å; K59-D76 CarbonylContact O-C 3.49Å; K59-D76 VanDerWaalsContact O-CA 3.26Å; K59-D76 WeakPolarHBondContact O-CA 3.35Å; K59-L77 PolarHBondContact O-N 2.76Å; K59-T78 HydrophobicContact CB-CG2 4.43Å; K59-T78 HydrophobicContact CG-CG2 4.05Å; K59-T78 WeakPolarHBondContact CG-OG1 3.47Å
60	K	88.3	Confident	90.2	Very high	103 Å²	103	47.5 Å²	47.5	45%	0.448	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	143	-172.4	-63.3	-175.5	-177.2	-173	0	111.1	K54 P55 D57	K54-K60 WeakPolarHBondContact CG-O 3.33Å; P55-K60 VanDerWaalsContact CD-O 3.31Å; P55-K60 WeakPolarHBondContact CD-O 3.34Å; P55-K60 HydrophobicContact CG-CB 3.76Å; D57-K60 HydrophobicContact CB-CB 4.24Å; D57-K60 HydrophobicContact CB-CD 4.25Å; D57-K60 HydrophobicContact CB-CG 4.17Å; D57-K60 PolarHBondContact O-N 3.44Å; D57-K60 WeakPolarHBondContact OD2-CE 3.13Å
61	G	90.6	Very high	90.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	162.3	163.7	0	0	0	0	0	110.5	Y53 D74 V75	Y53-G61 CarbonylContact O-C 3.5Å; Y53-G61 WeakPolarHBondContact O-CA 3.44Å; G61-D74 WeakPolarHBondContact O-CA 3.31Å; G61-V75 PolarHBondContact N-O 2.85Å; G61-V75 PolarHBondContact O-N 3.06Å
62	Q	92.2	Very high	90.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133	163.1	-60.6	75.7	52.9	0	0	107.4	I52 Y53 W72 V73 V232 N233 Q235	I52-Q62 CarbonylContact C-O 3.58Å; I52-Q62 VanDerWaalsContact CA-O 3.31Å; I52-Q62 WeakPolarHBondContact CA-O 2.97Å; Y53-Q62 PolarHBondContact N-O 3.39Å; Y53-Q62 PolarHBondContact O-N 3.06Å; Y53-Q62 PolarHBondContact O-OE1 3.31Å; Q62-W72 HydrophobicContact CB-CB 4.37Å; Q62-W72 HydrophobicContact CB-CD2 4.38Å; Q62-W72 HydrophobicContact CB-CE3 3.61Å; Q62-W72 HydrophobicContact CB-CZ3 4.29Å; Q62-W72 WeakPolarHBondContact O-CZ3 3.44Å; Q62-V73 CarbonylContact C-O 3.52Å; Q62-V73 VanDerWaalsContact CA-O 3.32Å; Q62-V73 WeakPolarHBondContact CA-O 3.32Å; Q62-V232 HydrophobicContact CB-CG1 3.79Å; Q62-V232 HydrophobicContact CG-CB 4.3Å; Q62-V232 HydrophobicContact CG-CG1 3.86Å; Q62-N233 HydrophobicContact CG-CB 3.81Å; Q62-Q235 VanDerWaalsContact NE2-NE2 3.14Å
63	K	92.6	Very high	90.1	Very high	11 Å²	11	50 Å²	50	5%	0.048	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	151.5	176	70.1	176.9	-176	176.4	0	112.1	D40 E41 V50 L51 I52 W72 V73 V75	D40-K63 VanDerWaalsContact CG-NZ 3.34Å; D40-K63 WeakPolarHBondContact OD1-CD 3.35Å; D40-K63 WeakPolarHBondContact OD1-CE 3.28Å; D40-K63 IonicContact OD1-NZ 3.3Å; D40-K63 PolarHBondContact OD1-NZ 3.47Å; D40-K63 IonicContact OD2-NZ 2.62Å; D40-K63 PolarHBondContact OD2-NZ 3.4Å; E41-K63 IonicContact OE1-NZ 3.54Å; V50-K63 HydrophobicContact CG1-CB 4.16Å; L51-K63 CarbonylContact O-C 3.49Å; L51-K63 VanDerWaalsContact O-CA 3.25Å; L51-K63 WeakPolarHBondContact O-CA 3.34Å; I52-K63 HydrophobicContact CG1-CB 3.97Å; K63-W72 WeakPolarHBondContact O-CA 3.35Å; K63-V73 HydrophobicContact CD-CG2 4.15Å; K63-V73 HydrophobicContact CG-CG2 3.43Å; K63-V73 VanDerWaalsContact CG-CG2 3.43Å; K63-V73 PolarHBondContact N-O 3.01Å; K63-V73 PolarHBondContact O-N 2.83Å; K63-V75 HydrophobicContact CB-CG1 4.31Å; K63-V75 HydrophobicContact CD-CB 4.25Å; K63-V75 HydrophobicContact CD-CG1 4.49Å; K63-V75 HydrophobicContact CD-CG2 4.47Å; K63-V75 HydrophobicContact CG-CB 4.41Å; K63-V75 HydrophobicContact CG-CG1 4.36Å
64	V	94.2	Very high	90.1	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.012	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	143.8	166.3	63.4	0	0	0	0	107	W49 L51 A68 V69 W72	W49-V64 HydrophobicContact CZ3-CG1 4.33Å; L51-V64 HydrophobicContact CB-CG1 3.8Å; L51-V64 HydrophobicContact CD2-CG1 4.03Å; L51-V64 HydrophobicContact CG-CG1 4.28Å; L51-V64 PolarHBondContact N-O 2.91Å; L51-V64 PolarHBondContact O-N 2.94Å; V64-A68 VanDerWaalsContact CG2-O 3.24Å; V64-A68 WeakPolarHBondContact CG2-O 3.28Å; V64-V69 WeakPolarHBondContact CG2-O 3.09Å; V64-W72 HydrophobicContact CB-CD2 4.25Å; V64-W72 HydrophobicContact CB-CE3 4.2Å; V64-W72 HydrophobicContact CB-CZ3 4.42Å; V64-W72 HydrophobicContact CG1-CD2 4.36Å; V64-W72 HydrophobicContact CG1-CE3 4.19Å; V64-W72 HydrophobicContact CG1-CH2 3.81Å; V64-W72 HydrophobicContact CG1-CZ2 3.94Å; V64-W72 HydrophobicContact CG1-CZ3 3.93Å
65	N	93.2	Very high	90.1	Very high	12 Å²	12	50.1 Å²	50.1	6%	0.064	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	172.8	-175.4	68.5	44.7	0	0	0	112.4	D40 K47 W49 V50 E67 A68 V69	D40-N65 PolarHBondContact OD2-ND2 3.5Å; K47-N65 HydrophobicContact CB-CB 4.33Å; K47-N65 HydrophobicContact CD-CB 4.38Å; K47-N65 HydrophobicContact CG-CB 4.04Å; W49-N65 WeakPolarHBondContact O-CA 3.4Å; V50-N65 HydrophobicContact CG1-CB 4.4Å; V50-N65 HydrophobicContact CG2-CB 4.04Å; N65-E67 PolarHBondContact O-N 2.84Å; N65-E67 VanDerWaalsContact O-N 3.09Å; N65-E67 PolarHBondContact OD1-N 3.34Å; N65-A68 CarbonylContact O-C 3.49Å; N65-A68 PolarHBondContact O-N 2.91Å; N65-A68 PolarHBondContact OD1-N 3.43Å; N65-V69 WeakPolarHBondContact O-CG1 3.43Å; N65-V69 PolarHBondContact O-N 3.05Å
66	S	92.4	Very high	90.4	Very high	21 Å²	21	53 Å²	53	15%	0.147	29%	0.291	C	S	.	.	S	Bend	trans	-60.1	-18.3	-175.5	63	0	0	0	0	116	D48 W49	D48-S66 WeakPolarHBondContact CB-OG 3.42Å; D48-S66 PolarHBondContact N-OG 3.22Å; W49-S66 PolarHBondContact O-N 3.21Å
67	E	90.6	Very high	90.6	Very high	100 Å²	100	49.6 Å²	49.6	47%	0.467	27%	0.27	S	S	.	.	S	Bend	trans	-106.6	-23.1	179	-64.8	-170.6	156.9	0	0	112.8	K47 N65 K170	K47-E67 HydrophobicContact CD-CB 4.38Å; K47-E67 HydrophobicContact CD-CG 4.14Å; K47-E67 IonicContact NZ-OE2 2.9Å; K47-E67 PolarHBondContact NZ-OE2 3.17Å; N65-E67 PolarHBondContact O-N 2.84Å; N65-E67 VanDerWaalsContact O-N 3.09Å; N65-E67 PolarHBondContact OD1-N 3.34Å; E67-K170 IonicContact OE1-NZ 3.66Å; E67-K170 PolarHBondContact OE1-NZ 3.11Å
68	A	92.1	Very high	90.8	Very high	48 Å²	48	50.5 Å²	50.5	40%	0.397	28%	0.277	S	S	.	.			trans	-123.4	64.9	179.6	0	0	0	0	0	110.3	V64 N65 D70	V64-A68 VanDerWaalsContact CG2-O 3.24Å; V64-A68 WeakPolarHBondContact CG2-O 3.28Å; N65-A68 CarbonylContact O-C 3.49Å; N65-A68 PolarHBondContact O-N 2.91Å; N65-A68 PolarHBondContact OD1-N 3.43Å; A68-D70 VanDerWaalsContact C-N 3.31Å; A68-D70 PolarHBondContact O-N 2.79Å
69	V	92.1	Very high	91.1	Very high	26 Å²	26	47.7 Å²	47.7	16%	0.158	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-12.7	-170.8	-61.3	0	0	0	0	115.1	W49 V64 N65 K280 H284	W49-V69 HydrophobicContact CH2-CG1 3.74Å; W49-V69 HydrophobicContact CZ2-CG1 3.71Å; V64-V69 WeakPolarHBondContact CG2-O 3.09Å; N65-V69 WeakPolarHBondContact O-CG1 3.43Å; N65-V69 PolarHBondContact O-N 3.05Å; V69-K280 HydrophobicContact CB-CB 3.92Å; V69-K280 HydrophobicContact CG2-CB 3.55Å; V69-K280 HydrophobicContact CG2-CG 3.63Å; V69-H284 PolarHBondContact O-CD2 3.36Å; V69-H284 PolarHBondContact O-NE2 3.24Å
70	D	91.2	Very high	91.2	Very high	80 Å²	80	48.8 Å²	48.8	43%	0.428	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-8	-171	-77.6	-30.2	0	0	0	114.1	A68 K280 H284	A68-D70 VanDerWaalsContact C-N 3.31Å; A68-D70 PolarHBondContact O-N 2.79Å; D70-K280 WeakPolarHBondContact OD1-CB 3.36Å; D70-K280 WeakPolarHBondContact OD1-CD 3.36Å; D70-K280 VanDerWaalsContact OD1-CE 3.27Å; D70-K280 WeakPolarHBondContact OD1-CE 3.29Å; D70-K280 WeakPolarHBondContact OD1-CG 3.45Å; D70-K280 IonicContact OD1-NZ 2.77Å; D70-K280 PolarHBondContact OD1-NZ 2.82Å; D70-K280 IonicContact OD2-NZ 3.26Å; D70-K280 PolarHBondContact OD2-NZ 3.33Å; D70-H284 PolarHBondContact O-CE1 3.43Å; D70-H284 PolarHBondContact O-NE2 3.15Å
71	T	91.3	Very high	91	Very high	86 Å²	86	45.6 Å²	45.6	53%	0.528	27%	0.266	S	S	.	.			trans	-141	121.2	-170.3	-55.1	0	0	0	0	109.8	V73	T71-V73 HydrophobicContact CG2-CG1 4.29Å
72	W	93.1	Very high	90.7	Very high	13 Å²	13	49.8 Å²	49.8	5%	0.049	29%	0.288	C	S	.	.			trans	-76.7	130.2	167.8	-70.4	88.2	0	0	0	108.8	L51 Q62 K63 V64 V232 N233 H284 F285 F288	L51-W72 HydrophobicContact CD2-CH2 3.78Å; L51-W72 HydrophobicContact CD2-CZ2 4.33Å; L51-W72 HydrophobicContact CG-CH2 4.06Å; Q62-W72 HydrophobicContact CB-CB 4.37Å; Q62-W72 HydrophobicContact CB-CD2 4.38Å; Q62-W72 HydrophobicContact CB-CE3 3.61Å; Q62-W72 HydrophobicContact CB-CZ3 4.29Å; Q62-W72 WeakPolarHBondContact O-CZ3 3.44Å; K63-W72 WeakPolarHBondContact O-CA 3.35Å; V64-W72 HydrophobicContact CB-CD2 4.25Å; V64-W72 HydrophobicContact CB-CE3 4.2Å; V64-W72 HydrophobicContact CB-CZ3 4.42Å; V64-W72 HydrophobicContact CG1-CD2 4.36Å; V64-W72 HydrophobicContact CG1-CE3 4.19Å; V64-W72 HydrophobicContact CG1-CH2 3.81Å; V64-W72 HydrophobicContact CG1-CZ2 3.94Å; V64-W72 HydrophobicContact CG1-CZ3 3.93Å; W72-V232 HydrophobicContact CB-CG1 4.4Å; W72-V232 HydrophobicContact CD2-CG1 3.56Å; W72-V232 HydrophobicContact CE3-CG1 3.79Å; W72-V232 HydrophobicContact CG-CG1 3.85Å; W72-V232 HydrophobicContact CZ2-CG1 4.39Å; W72-V232 HydrophobicContact CZ3-CG1 4.27Å; W72-N233 HydrophobicContact CB-CB 3.89Å; W72-H284 AromaticContact CD1-CE1 3.72Å; W72-H284 AromaticContact CD1-CG 3.83Å; W72-H284 AromaticContact CD1-ND1 3.58Å; W72-H284 AromaticContact NE1-CD2 3.6Å; W72-H284 AromaticContact NE1-CE1 3.93Å; W72-H284 AromaticContact NE1-CG 3.24Å; W72-H284 AromaticContact NE1-ND1 3.47Å; W72-H284 PolarHBondContact NE1-ND1 3.14Å; W72-H284 AromaticContact NE1-NE2 4Å; W72-F285 HydrophobicContact CH2-CE2 4.23Å; W72-F285 HydrophobicContact CH2-CZ 4.4Å; W72-F285 AromaticContact CZ2-CE2 3.88Å; W72-F285 HydrophobicContact CZ2-CE2 3.88Å; W72-F285 HydrophobicContact CZ2-CZ 4.37Å; W72-F288 AromaticContact CE2-CZ 3.96Å; W72-F288 HydrophobicContact CZ2-CE2 4.37Å; W72-F288 AromaticContact CZ2-CZ 3.95Å; W72-F288 HydrophobicContact CZ2-CZ 3.95Å; W72-F288 AromaticContact NE1-CZ 3.83Å
73	V	92.2	Very high	90.2	Very high	61 Å²	61	53.9 Å²	53.9	37%	0.37	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	142.7	177.1	-59.8	0	0	0	0	110.2	Q62 K63 T71	Q62-V73 CarbonylContact C-O 3.52Å; Q62-V73 VanDerWaalsContact CA-O 3.32Å; Q62-V73 WeakPolarHBondContact CA-O 3.32Å; K63-V73 HydrophobicContact CD-CG2 4.15Å; K63-V73 HydrophobicContact CG-CG2 3.43Å; K63-V73 VanDerWaalsContact CG-CG2 3.43Å; K63-V73 PolarHBondContact N-O 3.01Å; K63-V73 PolarHBondContact O-N 2.83Å; T71-V73 HydrophobicContact CG2-CG1 4.29Å
74	D	91.5	Very high	89.9	Confident	99 Å²	99	53.6 Å²	53.6	53%	0.529	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	143.3	175.6	-71.7	-26.7	0	0	0	110.6	G61 N233 Q235	G61-D74 WeakPolarHBondContact O-CA 3.31Å; D74-N233 PolarHBondContact OD1-ND2 2.73Å; D74-Q235 PolarHBondContact OD1-NE2 3.03Å
75	V	90.2	Very high	89.5	Confident	20 Å²	20	54 Å²	54	12%	0.121	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	138.9	175.5	60.2	0	0	0	0	110	G61 K63 L77	G61-V75 PolarHBondContact N-O 2.85Å; G61-V75 PolarHBondContact O-N 3.06Å; K63-V75 HydrophobicContact CB-CG1 4.31Å; K63-V75 HydrophobicContact CD-CB 4.25Å; K63-V75 HydrophobicContact CD-CG1 4.49Å; K63-V75 HydrophobicContact CD-CG2 4.47Å; K63-V75 HydrophobicContact CG-CB 4.41Å; K63-V75 HydrophobicContact CG-CG1 4.36Å; V75-L77 HydrophobicContact CG1-CD2 3.71Å; V75-L77 HydrophobicContact CG1-CG 4.34Å; V75-L77 HydrophobicContact CG2-CD2 4.34Å
76	D	90.9	Very high	89.1	Confident	75 Å²	75	56.3 Å²	56.3	40%	0.401	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	106.8	166.2	-173.5	-17.4	0	0	0	109.2	K59 T78 A79 N84	K59-D76 CarbonylContact O-C 3.49Å; K59-D76 VanDerWaalsContact O-CA 3.26Å; K59-D76 WeakPolarHBondContact O-CA 3.35Å; D76-T78 PolarHBondContact O-N 2.79Å; D76-T78 WeakPolarHBondContact OD1-CA 3.38Å; D76-T78 PolarHBondContact OD1-N 2.63Å; D76-T78 PolarHBondContact OD1-OG1 2.72Å; D76-A79 HydrophobicContact CB-CB 3.87Å; D76-A79 PolarHBondContact OD1-N 2.72Å; D76-A79 VanDerWaalsContact OD1-N 3.12Å; D76-N84 PolarHBondContact O-ND2 3.32Å
77	L	89.1	Confident	88.9	Confident	19 Å²	19	58.2 Å²	58.2	10%	0.099	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-11.7	-179.1	-61	179.4	0	0	0	113.1	I52 K54 K59 V75 N84 L86	I52-L77 HydrophobicContact CD1-CD2 4.12Å; I52-L77 HydrophobicContact CG2-CD1 4.39Å; I52-L77 HydrophobicContact CG2-CD2 4.06Å; K54-L77 HydrophobicContact CB-CD1 4.21Å; K54-L77 HydrophobicContact CD-CD1 3.82Å; K54-L77 HydrophobicContact CG-CD1 3.58Å; K59-L77 PolarHBondContact O-N 2.76Å; V75-L77 HydrophobicContact CG1-CD2 3.71Å; V75-L77 HydrophobicContact CG1-CG 4.34Å; V75-L77 HydrophobicContact CG2-CD2 4.34Å; L77-N84 PolarHBondContact O-ND2 2.76Å; L77-L86 HydrophobicContact CB-CD1 4.13Å; L77-L86 HydrophobicContact CD2-CD1 4.15Å
78	T	89.5	Confident	88.7	Confident	78 Å²	78	54.2 Å²	54.2	48%	0.479	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-8.5	179.6	60.3	0	0	0	0	113.7	K59 D76 D80	K59-T78 HydrophobicContact CB-CG2 4.43Å; K59-T78 HydrophobicContact CG-CG2 4.05Å; K59-T78 WeakPolarHBondContact CG-OG1 3.47Å; D76-T78 PolarHBondContact O-N 2.79Å; D76-T78 WeakPolarHBondContact OD1-CA 3.38Å; D76-T78 PolarHBondContact OD1-N 2.63Å; D76-T78 PolarHBondContact OD1-OG1 2.72Å; T78-D80 PolarHBondContact O-N 3.02Å
79	A	89	Confident	88.4	Confident	25 Å²	25	55.7 Å²	55.7	21%	0.207	31%	0.312	C	S	.	.			trans	-62.6	127.4	179	0	0	0	0	0	110.8	D76 A81 N84	D76-A79 HydrophobicContact CB-CB 3.87Å; D76-A79 PolarHBondContact OD1-N 2.72Å; D76-A79 VanDerWaalsContact OD1-N 3.12Å; A79-A81 HydrophobicContact CB-CB 4.42Å; A79-A81 PolarHBondContact O-N 3.19Å; A79-A81 VanDerWaalsContact O-N 3.08Å; A79-N84 HydrophobicContact CB-CB 4.48Å; A79-N84 VanDerWaalsContact O-CB 3.26Å; A79-N84 WeakPolarHBondContact O-CB 3.48Å; A79-N84 PolarHBondContact O-ND2 2.87Å
80	D	88.1	Confident	88.1	Confident	146 Å²	146	61.2 Å²	61.2	78%	0.781	33%	0.334	S	S	*	.			trans	-84.3	70.5	169.2	-170.6	21.5	0	0	0	109.3	T78	T78-D80 PolarHBondContact O-N 3.02Å
81	A	86.1	Confident	87.8	Confident	36 Å²	36	59.6 Å²	59.6	30%	0.298	33%	0.326	S	S	.	.	S	Bend	trans	-146.1	152.3	-176.6	0	0	0	0	0	110.5	A79 T83 N84	A79-A81 HydrophobicContact CB-CB 4.42Å; A79-A81 PolarHBondContact O-N 3.19Å; A79-A81 VanDerWaalsContact O-N 3.08Å; A81-T83 PolarHBondContact O-N 2.65Å; A81-N84 WeakPolarHBondContact O-CB 3.44Å; A81-N84 PolarHBondContact O-N 2.83Å
82	D	83.5	Confident	87.5	Confident	87 Å²	87	60 Å²	60	47%	0.465	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-20.7	177.3	-67.4	8.7	0	0	0	113.4	E41 G42 N84 R87 N88	E41-D82 CarbonylContact C-O 3.15Å; E41-D82 VanDerWaalsContact CA-O 3.29Å; E41-D82 WeakPolarHBondContact CA-O 3.26Å; G42-D82 PolarHBondContact N-O 3.47Å; D82-N84 PolarHBondContact O-N 2.76Å; D82-R87 IonicContact OD1-CZ 2.8Å; D82-R87 VanDerWaalsContact OD1-CZ 3.3Å; D82-R87 IonicContact OD1-NH1 3.92Å; D82-R87 PolarHBondContact OD1-NH1 3.45Å; D82-R87 IonicContact OD1-NH2 2.71Å; D82-N88 PolarHBondContact O-ND2 2.84Å
83	T	80.9	Confident	87.1	Confident	86 Å²	86	60.7 Å²	60.7	53%	0.528	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-12.9	174.7	54.2	0	0	0	0	113.7	A81	A81-T83 PolarHBondContact O-N 2.65Å
84	N	86.5	Confident	86.8	Confident	5 Å²	5	65.7 Å²	65.7	3%	0.027	34%	0.343	C	S	.	.			trans	-95.7	109.2	179.1	-177.9	-2.4	0	0	0	110.9	D76 L77 A79 A81 D82 L86 R87 N88	D76-N84 PolarHBondContact O-ND2 3.32Å; L77-N84 PolarHBondContact O-ND2 2.76Å; A79-N84 HydrophobicContact CB-CB 4.48Å; A79-N84 VanDerWaalsContact O-CB 3.26Å; A79-N84 WeakPolarHBondContact O-CB 3.48Å; A79-N84 PolarHBondContact O-ND2 2.87Å; A81-N84 WeakPolarHBondContact O-CB 3.44Å; A81-N84 PolarHBondContact O-N 2.83Å; D82-N84 PolarHBondContact O-N 2.76Å; N84-L86 VanDerWaalsContact C-N 3.25Å; N84-L86 PolarHBondContact O-N 3.38Å; N84-L86 WeakPolarHBondContact OD1-CB 3.36Å; N84-L86 PolarHBondContact OD1-N 2.97Å; N84-R87 HydrophobicContact CB-CB 4.1Å; N84-R87 PolarHBondContact O-N 2.67Å; N84-N88 PolarHBondContact O-N 3.29Å; N84-N88 VanDerWaalsContact O-N 3.08Å
85	L	86.5	Confident	86.5	Confident	10 Å²	10	66 Å²	66	5%	0.052	35%	0.348	C	S	.	.	H	α-helix	trans	-52.5	-41	176.6	176.2	68.2	0	0	0	112.9	C38 N39 V50 I52 R87 N88 I89	C38-L85 HydrophobicContact CB-CD1 4.02Å; N39-L85 WeakPolarHBondContact O-CD1 3.4Å; V50-L85 HydrophobicContact CB-CD2 3.74Å; V50-L85 HydrophobicContact CG1-CD2 3.85Å; V50-L85 HydrophobicContact CG2-CD2 3.99Å; I52-L85 HydrophobicContact CD1-CD2 3.96Å; L85-R87 PolarHBondContact O-N 3.38Å; L85-N88 PolarHBondContact O-N 2.8Å; L85-I89 HydrophobicContact CD1-CD1 4.21Å; L85-I89 HydrophobicContact CD1-CG1 4.33Å; L85-I89 HydrophobicContact CD2-CD1 4.45Å; L85-I89 HydrophobicContact CG-CD1 3.93Å; L85-I89 HydrophobicContact CG-CG1 4.45Å; L85-I89 WeakPolarHBondContact O-CG1 3.47Å; L85-I89 PolarHBondContact O-N 3.14Å
86	L	85.2	Confident	86.3	Confident	62 Å²	62	67.1 Å²	67.1	33%	0.325	36%	0.355	S	S	.	.	H	α-helix	trans	-64.7	-43.4	-177.3	-64	-177.4	0	0	0	110.9	L77 N84 N88 I89 F90	L77-L86 HydrophobicContact CB-CD1 4.13Å; L77-L86 HydrophobicContact CD2-CD1 4.15Å; N84-L86 VanDerWaalsContact C-N 3.25Å; N84-L86 PolarHBondContact O-N 3.38Å; N84-L86 WeakPolarHBondContact OD1-CB 3.36Å; N84-L86 PolarHBondContact OD1-N 2.97Å; L86-N88 VanDerWaalsContact C-N 3.32Å; L86-N88 PolarHBondContact O-N 2.73Å; L86-I89 PolarHBondContact O-N 3.29Å; L86-F90 HydrophobicContact CB-CE2 4.36Å; L86-F90 WeakPolarHBondContact O-CD2 3.43Å; L86-F90 PolarHBondContact O-N 3.4Å
87	R	87.9	Confident	86	Confident	61 Å²	61	67 Å²	67	23%	0.23	37%	0.365	C	S	.	.	H	α-helix	trans	-59.3	-45	173.8	175.9	-94.7	169.8	-179	5.9	110.6	D82 N84 L85 I89 F90 D91	D82-R87 IonicContact OD1-CZ 2.8Å; D82-R87 VanDerWaalsContact OD1-CZ 3.3Å; D82-R87 IonicContact OD1-NH1 3.92Å; D82-R87 PolarHBondContact OD1-NH1 3.45Å; D82-R87 IonicContact OD1-NH2 2.71Å; N84-R87 HydrophobicContact CB-CB 4.1Å; N84-R87 PolarHBondContact O-N 2.67Å; L85-R87 PolarHBondContact O-N 3.38Å; R87-I89 VanDerWaalsContact C-N 3.34Å; R87-I89 PolarHBondContact O-N 3.09Å; R87-F90 PolarHBondContact O-N 3.02Å; R87-D91 IonicContact CZ-OD2 2.8Å; R87-D91 IonicContact NE-OD2 3.57Å; R87-D91 PolarHBondContact NE-OD2 3.45Å; R87-D91 IonicContact NH1-OD2 2.62Å; R87-D91 IonicContact NH2-OD2 3.36Å; R87-D91 PolarHBondContact NH2-OD2 2.89Å; R87-D91 WeakPolarHBondContact O-CB 3.22Å; R87-D91 PolarHBondContact O-N 2.85Å
88	N	86.9	Confident	85.8	Confident	16 Å²	16	69.6 Å²	69.6	9%	0.086	38%	0.379	C	S	.	.	H	α-helix	trans	-63.3	-37.4	179.2	-65.3	-15.6	0	0	0	112.8	N39 E41 D82 N84 L85 L86 F92	N39-N88 HydrophobicContact CB-CB 4.37Å; N39-N88 PolarHBondContact O-ND2 3.15Å; E41-N88 PolarHBondContact O-ND2 3.46Å; E41-N88 VanDerWaalsContact O-ND2 3.17Å; D82-N88 PolarHBondContact O-ND2 2.84Å; N84-N88 PolarHBondContact O-N 3.29Å; N84-N88 VanDerWaalsContact O-N 3.08Å; L85-N88 PolarHBondContact O-N 2.8Å; L86-N88 VanDerWaalsContact C-N 3.32Å; L86-N88 PolarHBondContact O-N 2.73Å; N88-F92 WeakPolarHBondContact O-CB 3.5Å; N88-F92 PolarHBondContact O-N 2.92Å
89	I	84.8	Confident	85.5	Confident	78 Å²	78	66 Å²	66	40%	0.4	36%	0.357	S	S	.	.	H	α-helix	trans	-63.4	-47.7	174.3	-68.9	165.7	0	0	0	110.5	L85 L86 R87 F92 V93	L85-I89 HydrophobicContact CD1-CD1 4.21Å; L85-I89 HydrophobicContact CD1-CG1 4.33Å; L85-I89 HydrophobicContact CD2-CD1 4.45Å; L85-I89 HydrophobicContact CG-CD1 3.93Å; L85-I89 HydrophobicContact CG-CG1 4.45Å; L85-I89 WeakPolarHBondContact O-CG1 3.47Å; L85-I89 PolarHBondContact O-N 3.14Å; L86-I89 PolarHBondContact O-N 3.29Å; R87-I89 VanDerWaalsContact C-N 3.34Å; R87-I89 PolarHBondContact O-N 3.09Å; I89-F92 PolarHBondContact O-N 2.84Å; I89-V93 WeakPolarHBondContact O-CG2 3.49Å; I89-V93 PolarHBondContact O-N 2.97Å; I89-V93 VanDerWaalsContact O-N 3.11Å
90	F	85.3	Confident	85.4	Confident	142 Å²	142	66.8 Å²	66.8	62%	0.623	36%	0.359	S	S	*	.	H	α-helix	trans	-65.8	-40.6	179.7	-69.4	-56.7	0	0	0	112.2	L86 R87 V93 K94	L86-F90 HydrophobicContact CB-CE2 4.36Å; L86-F90 WeakPolarHBondContact O-CD2 3.43Å; L86-F90 PolarHBondContact O-N 3.4Å; R87-F90 PolarHBondContact O-N 3.02Å; F90-V93 PolarHBondContact O-N 3.19Å; F90-K94 VanDerWaalsContact O-CB 3.28Å; F90-K94 WeakPolarHBondContact O-CB 3.5Å; F90-K94 PolarHBondContact O-N 3.21Å
91	D	85.9	Confident	85.3	Confident	46 Å²	46	60.4 Å²	60.4	25%	0.246	33%	0.327	C	S	.	.	H	α-helix	trans	-65	-43.6	176.7	-85.6	9.5	0	0	0	111.1	R87 V93 K94 T95	R87-D91 IonicContact CZ-OD2 2.8Å; R87-D91 IonicContact NE-OD2 3.57Å; R87-D91 PolarHBondContact NE-OD2 3.45Å; R87-D91 IonicContact NH1-OD2 2.62Å; R87-D91 IonicContact NH2-OD2 3.36Å; R87-D91 PolarHBondContact NH2-OD2 2.89Å; R87-D91 WeakPolarHBondContact O-CB 3.22Å; R87-D91 PolarHBondContact O-N 2.85Å; D91-V93 VanDerWaalsContact C-N 3.33Å; D91-V93 PolarHBondContact O-N 2.73Å; D91-K94 PolarHBondContact O-N 2.86Å; D91-K94 VanDerWaalsContact O-N 3.08Å; D91-T95 WeakPolarHBondContact O-CB 3.32Å; D91-T95 WeakPolarHBondContact O-CG2 3.49Å; D91-T95 PolarHBondContact O-N 3.23Å; D91-T95 PolarHBondContact O-OG1 2.74Å
92	F	83.9	Confident	85.2	Confident	95 Å²	95	60.5 Å²	60.5	42%	0.417	32%	0.322	S	S	.	.	H	α-helix	trans	-54.6	-48.6	173.7	172	-99.7	0	0	0	111.9	N88 I89 K94 T96 A99	N88-F92 WeakPolarHBondContact O-CB 3.5Å; N88-F92 PolarHBondContact O-N 2.92Å; I89-F92 PolarHBondContact O-N 2.84Å; F92-K94 VanDerWaalsContact C-N 3.3Å; F92-K94 PolarHBondContact O-N 3.43Å; F92-T96 VanDerWaalsContact CD2-OG1 3.28Å; F92-T96 WeakPolarHBondContact CD2-OG1 3.39Å; F92-T96 HydrophobicContact CE2-CG2 3.97Å; F92-T96 WeakPolarHBondContact CE2-OG1 3.16Å; F92-T96 HydrophobicContact CZ-CG2 4.26Å; F92-T96 WeakPolarHBondContact O-CB 2.99Å; F92-T96 PolarHBondContact O-N 3.31Å; F92-T96 PolarHBondContact O-OG1 2.67Å; F92-A99 HydrophobicContact CE1-CB 3.83Å; F92-A99 HydrophobicContact CZ-CB 4.05Å
93	V	85.1	Confident	85.2	Confident	27 Å²	27	57.4 Å²	57.4	16%	0.164	31%	0.309	C	S	.	.	H	α-helix	trans	-61.8	-40.9	177.8	173.3	0	0	0	0	111	I89 F90 D91 A101 Y135 Q137	I89-V93 WeakPolarHBondContact O-CG2 3.49Å; I89-V93 PolarHBondContact O-N 2.97Å; I89-V93 VanDerWaalsContact O-N 3.11Å; F90-V93 PolarHBondContact O-N 3.19Å; D91-V93 VanDerWaalsContact C-N 3.33Å; D91-V93 PolarHBondContact O-N 2.73Å; V93-A101 HydrophobicContact CB-CB 4.41Å; V93-A101 HydrophobicContact CG1-CB 3.61Å; V93-A101 HydrophobicContact CG2-CB 3.9Å; V93-Y135 HydrophobicContact CG1-CE1 4.17Å; V93-Q137 PolarHBondContact O-NE2 3.05Å; V93-Q137 PolarHBondContact O-OE1 2.79Å
94	K	85.5	Confident	85	Confident	167 Å²	167	58.3 Å²	58.3	73%	0.726	30%	0.303	S	S	*	.	H	α-helix	trans	-73.7	-38.9	-176.4	-175.9	-178.6	175.7	-172	0	113.5	F90 D91 F92	F90-K94 VanDerWaalsContact O-CB 3.28Å; F90-K94 WeakPolarHBondContact O-CB 3.5Å; F90-K94 PolarHBondContact O-N 3.21Å; D91-K94 PolarHBondContact O-N 2.86Å; D91-K94 VanDerWaalsContact O-N 3.08Å; F92-K94 VanDerWaalsContact C-N 3.3Å; F92-K94 PolarHBondContact O-N 3.43Å
95	T	85.8	Confident	84.5	Confident	105 Å²	105	61.6 Å²	61.6	64%	0.644	32%	0.321	S	S	*	.	H	α-helix	trans	-97.8	-20.2	-170.5	64	0	0	0	0	113.3	D91 A97	D91-T95 WeakPolarHBondContact O-CB 3.32Å; D91-T95 WeakPolarHBondContact O-CG2 3.49Å; D91-T95 PolarHBondContact O-N 3.23Å; D91-T95 PolarHBondContact O-OG1 2.74Å; T95-A97 PolarHBondContact O-N 2.75Å
96	T	85.9	Confident	83.6	Confident	43 Å²	43	63.4 Å²	63.4	26%	0.264	34%	0.342	S	S	.	.			trans	-89.2	102.6	-177.7	-50.8	0	0	0	0	110.2	F92 D98 A99	F92-T96 VanDerWaalsContact CD2-OG1 3.28Å; F92-T96 WeakPolarHBondContact CD2-OG1 3.39Å; F92-T96 HydrophobicContact CE2-CG2 3.97Å; F92-T96 WeakPolarHBondContact CE2-OG1 3.16Å; F92-T96 HydrophobicContact CZ-CG2 4.26Å; F92-T96 WeakPolarHBondContact O-CB 2.99Å; F92-T96 PolarHBondContact O-N 3.31Å; F92-T96 PolarHBondContact O-OG1 2.67Å; T96-D98 PolarHBondContact O-N 2.78Å; T96-A99 HydrophobicContact CG2-CB 3.91Å; T96-A99 WeakPolarHBondContact O-CB 3.23Å; T96-A99 PolarHBondContact O-N 3.31Å
97	A	84	Confident	82.9	Confident	74 Å²	74	68.4 Å²	68.4	61%	0.612	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-28.5	-173.5	0	0	0	0	0	114.6	T95 N138 K141	T95-A97 PolarHBondContact O-N 2.75Å; A97-N138 PolarHBondContact O-ND2 3.26Å; A97-K141 PolarHBondContact O-NZ 2.89Å
98	D	85	Confident	82.1	Confident	72 Å²	72	66.3 Å²	66.3	39%	0.385	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	3.8	-179.5	-64.1	-42.3	0	0	0	114.1	V30 T96 V100 K141	V30-D98 HydrophobicContact CG1-CB 4.46Å; T96-D98 PolarHBondContact O-N 2.78Å; D98-V100 PolarHBondContact O-N 2.73Å; D98-K141 IonicContact OD1-NZ 3.42Å; D98-K141 PolarHBondContact OD1-NZ 3.02Å
99	A	84.4	Confident	81.3	Confident	3 Å²	3	69.2 Å²	69.2	3%	0.025	38%	0.379	C	S	.	.			trans	-65.7	122.4	178.4	0	0	0	0	0	110.5	F92 T96 N138	F92-A99 HydrophobicContact CE1-CB 3.83Å; F92-A99 HydrophobicContact CZ-CB 4.05Å; T96-A99 HydrophobicContact CG2-CB 3.91Å; T96-A99 WeakPolarHBondContact O-CB 3.23Å; T96-A99 PolarHBondContact O-N 3.31Å; A99-N138 WeakPolarHBondContact O-CB 3.35Å; A99-N138 PolarHBondContact O-ND2 3.2Å
100	V	86.3	Confident	80.5	Confident	41 Å²	41	77.4 Å²	77.4	25%	0.248	41%	0.405	C	S	.	.			trans	-84.4	116.5	168.9	-177.9	0	0	0	0	107.7	D98 K141 A142 L146	D98-V100 PolarHBondContact O-N 2.73Å; V100-K141 HydrophobicContact CG2-CB 4.03Å; V100-A142 HydrophobicContact CG1-CB 3.97Å; V100-L146 HydrophobicContact CG1-CD2 3.83Å
101	A	86.2	Confident	79	Confident	13 Å²	13	73.1 Å²	73.1	11%	0.107	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.6	-178.5	0	0	0	0	0	111.1	V93 Y135 Q136 Q137	V93-A101 HydrophobicContact CB-CB 4.41Å; V93-A101 HydrophobicContact CG1-CB 3.61Å; V93-A101 HydrophobicContact CG2-CB 3.9Å; A101-Y135 HydrophobicContact CB-CE1 4.43Å; A101-Q136 CarbonylContact O-C 3.55Å; A101-Q136 VanDerWaalsContact O-CA 3.32Å; A101-Q136 WeakPolarHBondContact O-CA 3.32Å; A101-Q137 HydrophobicContact CB-CB 4.27Å; A101-Q137 PolarHBondContact N-O 3.2Å; A101-Q137 VanDerWaalsContact N-O 3.14Å; A101-Q137 PolarHBondContact O-N 2.83Å
102	I	82.9	Confident	77.3	Confident	37 Å²	37	77.5 Å²	77.5	19%	0.19	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	127.1	176.5	-66	176	0	0	0	107.4	I133 Y135 T139 L146 L149 A150	I102-I133 HydrophobicContact CD1-CD1 4.48Å; I102-I133 HydrophobicContact CG2-CD1 3.34Å; I102-I133 HydrophobicContact CG2-CG1 3.49Å; I102-I133 VanDerWaalsContact CG2-CG1 3.49Å; I102-I133 HydrophobicContact CG2-CG2 4.24Å; I102-Y135 WeakPolarHBondContact CA-O 2.99Å; I102-T139 HydrophobicContact CD1-CG2 4.21Å; I102-T139 HydrophobicContact CG1-CG2 4.05Å; I102-L146 HydrophobicContact CD1-CD1 3.94Å; I102-L146 HydrophobicContact CD1-CG 4.37Å; I102-L149 HydrophobicContact CD1-CD2 3.51Å; I102-L149 HydrophobicContact CD1-CG 4.01Å; I102-L149 HydrophobicContact CG2-CD2 4.42Å; I102-A150 HydrophobicContact CD1-CB 4.14Å
103	A	83.4	Confident	75.2	Confident	23 Å²	23	79.6 Å²	79.6	19%	0.19	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	136.2	171.8	0	0	0	0	0	110.4	I133 Y134 Y135	A103-I133 WeakPolarHBondContact O-CA 2.95Å; A103-Y134 HydrophobicContact CB-CD2 4.38Å; A103-Y134 HydrophobicContact CB-CE1 4.03Å; A103-Y134 HydrophobicContact CB-CE2 3.68Å; A103-Y134 VanDerWaalsContact CB-CZ 3.47Å; A103-Y134 WeakPolarHBondContact CB-OH 3.46Å; A103-Y134 PolarHBondContact O-N 2.94Å; A103-Y135 HydrophobicContact CB-CD1 4.22Å; A103-Y135 PolarHBondContact N-O 2.79Å; A103-Y135 PolarHBondContact O-N 3.36Å
104	Y	78.6	Confident	73.4	Confident	105 Å²	105	81 Å²	81	41%	0.412	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	151.8	-171.4	68.5	-85.5	0	0	0	111	M126 P131 N132	Y104-M126 HydrophobicContact CD1-CE 3.22Å; Y104-M126 HydrophobicContact CD2-CE 3.77Å; Y104-M126 HydrophobicContact CD2-CG 4.5Å; Y104-M126 HydrophobicContact CE1-CE 3.07Å; Y104-M126 HydrophobicContact CE1-SD 3.94Å; Y104-M126 HydrophobicContact CE2-CE 3.61Å; Y104-M126 HydrophobicContact CE2-CG 3.86Å; Y104-M126 HydrophobicContact CE2-SD 4.04Å; Y104-M126 HydrophobicContact CG-CE 3.57Å; Y104-P131 HydrophobicContact CD2-CB 3.56Å; Y104-P131 HydrophobicContact CD2-CG 3.99Å; Y104-P131 HydrophobicContact CE2-CB 4.48Å; Y104-P131 HydrophobicContact CG-CB 4.12Å; Y104-P131 HydrophobicContact CG-CG 4.32Å; Y104-N132 CarbonylContact C-O 3.52Å; Y104-N132 WeakPolarHBondContact CA-O 3.33Å
105	N	74.4	Confident	71.3	Confident	74 Å²	74	83 Å²	83	40%	0.396	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	161.7	176.8	-159.5	-40.8	0	0	0	109.6	H107 N132 Y134	N105-H107 VanDerWaalsContact C-N 3.3Å; N105-H107 WeakPolarHBondContact CB-O 3.3Å; N105-H107 PolarHBondContact ND2-O 3.24Å; N105-H107 PolarHBondContact OD1-N 2.86Å; N105-N132 PolarHBondContact N-O 2.91Å; N105-N132 WeakPolarHBondContact O-CB 3.15Å; N105-N132 PolarHBondContact O-N 3.4Å; N105-Y134 HydrophobicContact CB-CD1 4.19Å; N105-Y134 HydrophobicContact CB-CE1 3.81Å
106	G	68.7	Low	69.4	Low	48 Å²	48	78.9 Å²	78.9	50%	0.495	44%	0.437	S	S	.	.	S	Bend	trans	-67.3	-34.6	162	0	0	0	0	0	111.7	N132	G106-N132 PolarHBondContact O-ND2 3.1Å
107	H	70.3	Confident	67.3	Low	166 Å²	166	83.7 Å²	83.7	77%	0.769	45%	0.451	S	S	*	.	S	Bend	trans	-125.7	104.2	177.9	-65.6	-71.6	0	0	0	110.7	N105	N105-H107 VanDerWaalsContact C-N 3.3Å; N105-H107 WeakPolarHBondContact CB-O 3.3Å; N105-H107 PolarHBondContact ND2-O 3.24Å; N105-H107 PolarHBondContact OD1-N 2.86Å
108	A	70.4	Confident	65.2	Low	17 Å²	17	87.1 Å²	87.1	14%	0.14	45%	0.454	C	S	.	.			trans	-63.9	141.5	-178.2	0	0	0	0	0	111.9	P114 Y134	A108-P114 HydrophobicContact CB-CB 4.47Å; A108-Y134 HydrophobicContact CB-CD1 4.33Å; A108-Y134 HydrophobicContact CB-CG 4.23Å
109	P	71	Confident	63	Low	77 Å²	77	83.7 Å²	83.7	50%	0.5	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	140.1	178.2	-22.3	32.3	0	0	0	112.6	S111 Y134	P109-S111 PolarHBondContact O-N 2.99Å; P109-S111 VanDerWaalsContact O-N 3.15Å; P109-Y134 HydrophobicContact CG-CD2 4.37Å; P109-Y134 HydrophobicContact CG-CE2 3.98Å
110	R	66.9	Low	60.6	Low	250 Å²	250	87.1 Å²	87.1	94%	0.943	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	24.8	173.6	-57.8	-174	179.4	122.5	-0.8	116	P112	R110-P112 WeakPolarHBondContact O-CD 3.49Å
111	S	54.3	Low	58.2	Low	52 Å²	52	85.1 Å²	85.1	36%	0.364	44%	0.438	S	S	.	.			trans	-91.9	119.5	179.8	-154.5	0	0	0	0	112.5	P109 N113 P114	P109-S111 PolarHBondContact O-N 2.99Å; P109-S111 VanDerWaalsContact O-N 3.15Å; S111-N113 PolarHBondContact OG-O 3.08Å; S111-P114 WeakPolarHBondContact OG-CA 3.39Å; S111-P114 WeakPolarHBondContact OG-CB 3.24Å; S111-P114 VanDerWaalsContact OG-N 3.11Å
112	P	51	Low	56	Low	139 Å²	139	87.9 Å²	87.9	90%	0.903	45%	0.453	S	S	*	.	S	Bend	trans	-72.7	-23	169	27.4	-30.5	0	0	0	111.9	R110	R110-P112 WeakPolarHBondContact O-CD 3.49Å
113	N	40.4	Very low	54.8	Low	138 Å²	138	87.3 Å²	87.3	74%	0.738	46%	0.455	S	S	*	.	S	Bend	trans	-169.6	125	168.4	-162.2	10.4	0	0	0	105.4	S111 Q115	S111-N113 PolarHBondContact OG-O 3.08Å; N113-Q115 PolarHBondContact O-N 2.79Å
114	P	45.7	Very low	53.4	Low	57 Å²	57	89 Å²	89	37%	0.37	46%	0.458	S	S	.	.			trans	-87.2	124.5	-168.5	32.6	-31.7	0	0	0	111.2	A108 S111 A116	A108-P114 HydrophobicContact CB-CB 4.47Å; S111-P114 WeakPolarHBondContact OG-CA 3.39Å; S111-P114 WeakPolarHBondContact OG-CB 3.24Å; S111-P114 VanDerWaalsContact OG-N 3.11Å; P114-A116 HydrophobicContact CB-CB 3.61Å; P114-A116 HydrophobicContact CG-CB 4.06Å; P114-A116 PolarHBondContact O-N 3.26Å
115	Q	42.2	Very low	52.4	Low	208 Å²	208	84.1 Å²	84.1	97%	0.972	44%	0.44	S	S	*	.			trans	-67.5	55.2	137.3	-72.2	-174.1	5.7	0	0	108.7	N113 R117	N113-Q115 PolarHBondContact O-N 2.79Å; Q115-R117 PolarHBondContact O-N 2.93Å
116	A	45.1	Very low	51.6	Low	19 Å²	19	81.2 Å²	81.2	16%	0.157	42%	0.424	C	S	.	.			trans	-72.4	120.3	159	0	0	0	0	0	104.8	P114 Q118 N132	P114-A116 HydrophobicContact CB-CB 3.61Å; P114-A116 HydrophobicContact CG-CB 4.06Å; P114-A116 PolarHBondContact O-N 3.26Å; A116-Q118 PolarHBondContact O-N 3.03Å; A116-N132 HydrophobicContact CB-CB 3.36Å; A116-N132 WeakPolarHBondContact CB-OD1 3.27Å
117	R	43.1	Very low	51	Low	145 Å²	145	79 Å²	79	55%	0.547	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	111.4	160.4	-164	-179.5	-129	-145.1	-5.4	105	Q115 T119 I133 A150 E151	Q115-R117 PolarHBondContact O-N 2.93Å; R117-T119 VanDerWaalsContact C-N 3.34Å; R117-T119 HydrophobicContact CB-CG2 3.8Å; R117-T119 HydrophobicContact CG-CG2 3.55Å; R117-T119 PolarHBondContact O-N 2.83Å; R117-T119 PolarHBondContact O-OG1 3.02Å; R117-I133 PolarHBondContact O-N 2.98Å; R117-A150 PolarHBondContact NH1-O 2.47Å; R117-E151 VanDerWaalsContact NH1-C 3.27Å; R117-E151 PolarHBondContact NH1-O 3.39Å
118	Q	40.1	Very low	50.8	Low	145 Å²	145	71 Å²	71	68%	0.678	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61	104.7	167.3	-86.6	-168.2	4.7	0	0	106.4	A116 N132	A116-Q118 PolarHBondContact O-N 3.03Å; Q118-N132 WeakPolarHBondContact CG-OD1 3.3Å
119	T	37.5	Very low	50.7	Low	1 Å²	1	72.6 Å²	72.6	1%	0.006	37%	0.369	C	S	.	.			trans	-124.5	111.2	-171.8	43.5	0	0	0	0	108.2	R117 S121 P131 I133	R117-T119 VanDerWaalsContact C-N 3.34Å; R117-T119 HydrophobicContact CB-CG2 3.8Å; R117-T119 HydrophobicContact CG-CG2 3.55Å; R117-T119 PolarHBondContact O-N 2.83Å; R117-T119 PolarHBondContact O-OG1 3.02Å; T119-S121 PolarHBondContact O-N 3.09Å; T119-P131 CarbonylContact C-O 3.56Å; T119-P131 PolarHBondContact N-O 3.16Å; T119-P131 WeakPolarHBondContact O-CD 3.24Å; T119-P131 VanDerWaalsContact O-CG 3.26Å; T119-P131 WeakPolarHBondContact O-CG 3.46Å; T119-P131 PolarHBondContact OG1-O 2.83Å; T119-P131 VanDerWaalsContact OG1-O 3.09Å; T119-I133 HydrophobicContact CG2-CB 4.15Å; T119-I133 HydrophobicContact CG2-CD1 3.99Å; T119-I133 HydrophobicContact CG2-CG1 4.37Å; T119-I133 WeakPolarHBondContact OG1-CB 3.13Å; T119-I133 VanDerWaalsContact OG1-CD1 3.26Å; T119-I133 WeakPolarHBondContact OG1-CD1 3.48Å; T119-I133 WeakPolarHBondContact OG1-CG1 3.17Å; T119-I133 PolarHBondContact OG1-N 3.48Å
120	K	33.4	Very low	50.6	Low	74 Å²	74	71.1 Å²	71.1	32%	0.322	36%	0.356	S	S	.	.			trans	-68.8	111	179.2	-56.6	-176.6	-172.6	150.1	0	109.6	A127 M130	K120-A127 VanDerWaalsContact CA-CA 3.5Å; K120-A127 VanDerWaalsContact CB-CA 3.49Å; K120-A127 HydrophobicContact CB-CB 3.55Å; K120-A127 WeakPolarHBondContact CB-O 3.37Å; K120-A127 WeakPolarHBondContact O-CB 3.44Å; K120-M130 HydrophobicContact CD-CE 4.46Å; K120-M130 HydrophobicContact CD-CG 4.43Å; K120-M130 HydrophobicContact CG-CB 4.27Å; K120-M130 HydrophobicContact CG-CG 3.94Å; K120-M130 HydrophobicContact CG-SD 4.44Å
121	S	35.7	Very low	50.7	Low	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.315	C	S	.	.			trans	-171	154.3	157.5	69.3	0	0	0	0	118.9	T119 A123 M126 A127 P131 L149	T119-S121 PolarHBondContact O-N 3.09Å; S121-A123 WeakPolarHBondContact CA-O 3.25Å; S121-A123 WeakPolarHBondContact CB-O 3.43Å; S121-M126 VanDerWaalsContact C-N 3.35Å; S121-M126 CarbonylContact C-O 3.57Å; S121-M126 VanDerWaalsContact C-O 3.31Å; S121-M126 WeakPolarHBondContact CA-O 3.31Å; S121-M126 PolarHBondContact N-O 3.01Å; S121-M126 CarbonylContact O-C 3.53Å; S121-M126 WeakPolarHBondContact O-CA 3.44Å; S121-M126 WeakPolarHBondContact O-CB 3.42Å; S121-M126 WeakPolarHBondContact O-CE 3.06Å; S121-M126 WeakPolarHBondContact O-CG 3.41Å; S121-M126 WeakPolarHBondContact OG-CE 3.29Å; S121-A127 VanDerWaalsContact N-N 3.16Å; S121-P131 WeakPolarHBondContact O-CG 3.42Å; S121-L149 VanDerWaalsContact CB-CB 3.44Å; S121-L149 WeakPolarHBondContact OG-CD1 3.09Å; S121-L149 WeakPolarHBondContact OG-CD2 3.3Å; S121-L149 WeakPolarHBondContact OG-CG 2.8Å
122	T	41.1	Very low	51.8	Low	70 Å²	70	58.5 Å²	58.5	43%	0.429	30%	0.303	S	S	.	.	S	Bend		-121.5	84.3	119.1	4.6	0	0	0	0	98.5	E124 G125 M126	T122-E124 CarbonylContact O-C 3.31Å; T122-E124 WeakPolarHBondContact O-CA 3.18Å; T122-E124 PolarHBondContact O-N 2.97Å; T122-G125 PolarHBondContact O-N 2.99Å; T122-G125 WeakPolarHBondContact OG1-CA 3.42Å; T122-M126 WeakPolarHBondContact CA-SD 2.85Å; T122-M126 WeakPolarHBondContact CB-SD 3.39Å; T122-M126 HydrophobicContact CG2-CB 4.28Å; T122-M126 HydrophobicContact CG2-CG 4.01Å; T122-M126 HydrophobicContact CG2-SD 3.08Å; T122-M126 WeakPolarHBondContact CG2-SD 3.25Å; T122-M126 PolarHBondContact N-SD 2.99Å; T122-M126 WeakPolarHBondContact OG1-CA 3.44Å; T122-M126 VanDerWaalsContact OG1-CB 3.25Å; T122-M126 WeakPolarHBondContact OG1-CB 3.49Å; T122-M126 PolarHBondContact OG1-N 2.99Å
123	A	57.4	Low	53.2	Low	26 Å²	26	52.3 Å²	52.3	22%	0.215	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	32	-80	-142.7	0	0	0	0	0	113.7	S121 A127 T145	S121-A123 WeakPolarHBondContact CA-O 3.25Å; S121-A123 WeakPolarHBondContact CB-O 3.43Å; A123-A127 WeakPolarHBondContact O-CB 3.16Å; A123-T145 VanDerWaalsContact CB-CB 3.42Å; A123-T145 HydrophobicContact CB-CG2 3.5Å; A123-T145 VanDerWaalsContact CB-CG2 3.5Å
124	E	53.3	Low	55.1	Low	57 Å²	57	50.9 Å²	50.9	27%	0.266	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-39.8	168.7	-147.8	-170.3	132.1	0	0	116.1	T122 A127 Y128 T145 V154 T156 K161	T122-E124 CarbonylContact O-C 3.31Å; T122-E124 WeakPolarHBondContact O-CA 3.18Å; T122-E124 PolarHBondContact O-N 2.97Å; E124-A127 VanDerWaalsContact O-CA 3.3Å; E124-A127 WeakPolarHBondContact O-CA 3.36Å; E124-A127 WeakPolarHBondContact O-CB 3.26Å; E124-A127 PolarHBondContact O-N 3.44Å; E124-Y128 HydrophobicContact CG-CE2 4.34Å; E124-Y128 WeakPolarHBondContact O-CD2 3.2Å; E124-Y128 PolarHBondContact O-N 3.3Å; E124-T145 HydrophobicContact CB-CG2 4Å; E124-T145 VanDerWaalsContact N-CG2 3.31Å; E124-V154 HydrophobicContact CG-CG1 4.2Å; E124-T156 HydrophobicContact CG-CG2 4.42Å; E124-K161 IonicContact OE1-NZ 3.3Å; E124-K161 PolarHBondContact OE1-NZ 3.03Å; E124-K161 IonicContact OE2-NZ 3.45Å; E124-K161 PolarHBondContact OE2-NZ 3.23Å
125	G	59.1	Low	57	Low	3 Å²	3	53.1 Å²	53.1	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-64.4	-57.1	-170.3	0	0	0	0	0	113.8	T122 A127 Y128 S179	T122-G125 PolarHBondContact O-N 2.99Å; T122-G125 WeakPolarHBondContact OG1-CA 3.42Å; G125-A127 PolarHBondContact O-N 2.95Å; G125-Y128 WeakPolarHBondContact O-CB 2.94Å; G125-Y128 VanDerWaalsContact O-CD2 3.26Å; G125-Y128 WeakPolarHBondContact O-CD2 3.09Å; G125-Y128 PolarHBondContact O-N 3.02Å; G125-S179 VanDerWaalsContact C-OG 3.27Å; G125-S179 WeakPolarHBondContact CA-OG 3.37Å; G125-S179 WeakPolarHBondContact O-CB 3.26Å; G125-S179 PolarHBondContact O-OG 3Å
126	M	58.1	Low	59.1	Low	14 Å²	14	47.7 Å²	47.7	7%	0.069	22%	0.224	C	C	.	.	H	α-helix	trans	-73.5	0.3	174.3	107.2	-74.8	133.2	0	0	108.9	Y104 S121 T122 Y128 E129 M130 P131	Y104-M126 HydrophobicContact CD1-CE 3.22Å; Y104-M126 HydrophobicContact CD2-CE 3.77Å; Y104-M126 HydrophobicContact CD2-CG 4.5Å; Y104-M126 HydrophobicContact CE1-CE 3.07Å; Y104-M126 HydrophobicContact CE1-SD 3.94Å; Y104-M126 HydrophobicContact CE2-CE 3.61Å; Y104-M126 HydrophobicContact CE2-CG 3.86Å; Y104-M126 HydrophobicContact CE2-SD 4.04Å; Y104-M126 HydrophobicContact CG-CE 3.57Å; S121-M126 VanDerWaalsContact C-N 3.35Å; S121-M126 CarbonylContact C-O 3.57Å; S121-M126 VanDerWaalsContact C-O 3.31Å; S121-M126 WeakPolarHBondContact CA-O 3.31Å; S121-M126 PolarHBondContact N-O 3.01Å; S121-M126 CarbonylContact O-C 3.53Å; S121-M126 WeakPolarHBondContact O-CA 3.44Å; S121-M126 WeakPolarHBondContact O-CB 3.42Å; S121-M126 WeakPolarHBondContact O-CE 3.06Å; S121-M126 WeakPolarHBondContact O-CG 3.41Å; S121-M126 WeakPolarHBondContact OG-CE 3.29Å; T122-M126 WeakPolarHBondContact CA-SD 2.85Å; T122-M126 WeakPolarHBondContact CB-SD 3.39Å; T122-M126 HydrophobicContact CG2-CB 4.28Å; T122-M126 HydrophobicContact CG2-CG 4.01Å; T122-M126 HydrophobicContact CG2-SD 3.08Å; T122-M126 WeakPolarHBondContact CG2-SD 3.25Å; T122-M126 PolarHBondContact N-SD 2.99Å; T122-M126 WeakPolarHBondContact OG1-CA 3.44Å; T122-M126 VanDerWaalsContact OG1-CB 3.25Å; T122-M126 WeakPolarHBondContact OG1-CB 3.49Å; T122-M126 PolarHBondContact OG1-N 2.99Å; M126-Y128 VanDerWaalsContact C-N 3.3Å; M126-E129 VanDerWaalsContact C-N 3.33Å; M126-E129 HydrophobicContact CB-CB 3.99Å; M126-E129 HydrophobicContact CB-CG 4.13Å; M126-E129 CarbonylContact O-C 3.6Å; M126-E129 WeakPolarHBondContact O-CA 3.5Å; M126-E129 WeakPolarHBondContact O-CB 3.22Å; M126-E129 PolarHBondContact O-N 3.19Å; M126-M130 PolarHBondContact O-N 3.01Å; M126-P131 HydrophobicContact CE-CG 4.37Å; M126-P131 HydrophobicContact CG-CG 4.35Å; M126-P131 WeakPolarHBondContact O-CD 3.1Å
127	A	55.7	Low	61	Low	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-75.3	-26.3	166.3	0	0	0	0	0	111.9	K120 S121 A123 E124 G125 E129 V154 T156	K120-A127 VanDerWaalsContact CA-CA 3.5Å; K120-A127 VanDerWaalsContact CB-CA 3.49Å; K120-A127 HydrophobicContact CB-CB 3.55Å; K120-A127 WeakPolarHBondContact CB-O 3.37Å; K120-A127 WeakPolarHBondContact O-CB 3.44Å; S121-A127 VanDerWaalsContact N-N 3.16Å; A123-A127 WeakPolarHBondContact O-CB 3.16Å; E124-A127 VanDerWaalsContact O-CA 3.3Å; E124-A127 WeakPolarHBondContact O-CA 3.36Å; E124-A127 WeakPolarHBondContact O-CB 3.26Å; E124-A127 PolarHBondContact O-N 3.44Å; G125-A127 PolarHBondContact O-N 2.95Å; A127-E129 VanDerWaalsContact C-N 3.31Å; A127-V154 HydrophobicContact CB-CB 4.05Å; A127-V154 HydrophobicContact CB-CG1 3.43Å; A127-V154 VanDerWaalsContact CB-CG1 3.43Å; A127-T156 HydrophobicContact CB-CG2 3.82Å
128	Y	65	Low	63.2	Low	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63	-46.1	160	-64.2	-111.1	0	0	0	108.8	E124 G125 M126 M130 T156 R158 K161 K181 P270	E124-Y128 HydrophobicContact CG-CE2 4.34Å; E124-Y128 WeakPolarHBondContact O-CD2 3.2Å; E124-Y128 PolarHBondContact O-N 3.3Å; G125-Y128 WeakPolarHBondContact O-CB 2.94Å; G125-Y128 VanDerWaalsContact O-CD2 3.26Å; G125-Y128 WeakPolarHBondContact O-CD2 3.09Å; G125-Y128 PolarHBondContact O-N 3.02Å; M126-Y128 VanDerWaalsContact C-N 3.3Å; Y128-M130 VanDerWaalsContact C-N 3.28Å; Y128-M130 WeakPolarHBondContact O-CG 3.22Å; Y128-M130 PolarHBondContact O-N 2.93Å; Y128-T156 HydrophobicContact CD2-CG2 3.62Å; Y128-T156 HydrophobicContact CE2-CG2 3.47Å; Y128-T156 VanDerWaalsContact CE2-CG2 3.47Å; Y128-T156 HydrophobicContact CG-CG2 4.17Å; Y128-R158 WeakPolarHBondContact CE1-O 3.45Å; Y128-R158 PolarHBondContact OH-O 3.09Å; Y128-K161 HydrophobicContact CD2-CB 4.38Å; Y128-K161 HydrophobicContact CE1-CB 4.15Å; Y128-K161 HydrophobicContact CE2-CB 3.74Å; Y128-K161 HydrophobicContact CE2-CD 3.93Å; Y128-K161 HydrophobicContact CE2-CG 4.46Å; Y128-K181 HydrophobicContact CD1-CB 3.87Å; Y128-P270 WeakPolarHBondContact O-CB 3.24Å; Y128-P270 WeakPolarHBondContact O-CG 3.43Å
129	E	68.5	Low	65.4	Low	49 Å²	49	37.8 Å²	37.8	23%	0.229	18%	0.184	C	C	.	.	H	α-helix	trans	-66.6	-19.9	-177.3	-65.3	-172.7	-126.8	0	0	115.4	M126 A127 S259 G272	M126-E129 VanDerWaalsContact C-N 3.33Å; M126-E129 HydrophobicContact CB-CB 3.99Å; M126-E129 HydrophobicContact CB-CG 4.13Å; M126-E129 CarbonylContact O-C 3.6Å; M126-E129 WeakPolarHBondContact O-CA 3.5Å; M126-E129 WeakPolarHBondContact O-CB 3.22Å; M126-E129 PolarHBondContact O-N 3.19Å; A127-E129 VanDerWaalsContact C-N 3.31Å; E129-S259 WeakPolarHBondContact OE2-CB 3.33Å; E129-S259 PolarHBondContact OE2-OG 3.42Å; E129-G272 VanDerWaalsContact OE1-CA 3.22Å; E129-G272 WeakPolarHBondContact OE1-CA 3.26Å
130	M	68.2	Low	67.9	Low	47 Å²	47	43.7 Å²	43.7	23%	0.232	21%	0.211	C	C	.	.			trans	53.3	48.7	179.9	-47.3	-159.3	-176.4	0	0	114.9	K120 M126 Y128 K181 P270	K120-M130 HydrophobicContact CD-CE 4.46Å; K120-M130 HydrophobicContact CD-CG 4.43Å; K120-M130 HydrophobicContact CG-CB 4.27Å; K120-M130 HydrophobicContact CG-CG 3.94Å; K120-M130 HydrophobicContact CG-SD 4.44Å; M126-M130 PolarHBondContact O-N 3.01Å; Y128-M130 VanDerWaalsContact C-N 3.28Å; Y128-M130 WeakPolarHBondContact O-CG 3.22Å; Y128-M130 PolarHBondContact O-N 2.93Å; M130-K181 HydrophobicContact CE-CD 3.67Å; M130-K181 HydrophobicContact CE-CG 4.47Å; M130-P270 HydrophobicContact CG-CG 4.29Å
131	P	70.1	Confident	70.5	Confident	12 Å²	12	44.1 Å²	44.1	8%	0.078	21%	0.213	C	C	.	.			trans	-68.3	158.5	-175	32.7	-39.5	0	0	0	112.1	Y104 T119 S121 M126 I133	Y104-P131 HydrophobicContact CD2-CB 3.56Å; Y104-P131 HydrophobicContact CD2-CG 3.99Å; Y104-P131 HydrophobicContact CE2-CB 4.48Å; Y104-P131 HydrophobicContact CG-CB 4.12Å; Y104-P131 HydrophobicContact CG-CG 4.32Å; T119-P131 CarbonylContact C-O 3.56Å; T119-P131 PolarHBondContact N-O 3.16Å; T119-P131 WeakPolarHBondContact O-CD 3.24Å; T119-P131 VanDerWaalsContact O-CG 3.26Å; T119-P131 WeakPolarHBondContact O-CG 3.46Å; T119-P131 PolarHBondContact OG1-O 2.83Å; T119-P131 VanDerWaalsContact OG1-O 3.09Å; S121-P131 WeakPolarHBondContact O-CG 3.42Å; M126-P131 HydrophobicContact CE-CG 4.37Å; M126-P131 HydrophobicContact CG-CG 4.35Å; M126-P131 WeakPolarHBondContact O-CD 3.1Å; P131-I133 PolarHBondContact O-N 3.34Å
132	N	76.4	Confident	72.9	Confident	24 Å²	24	44.4 Å²	44.4	13%	0.128	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	108.9	171.8	-69.3	-41.1	0	0	0	109	Y104 N105 G106 A116 Q118 Y134	Y104-N132 CarbonylContact C-O 3.52Å; Y104-N132 WeakPolarHBondContact CA-O 3.33Å; N105-N132 PolarHBondContact N-O 2.91Å; N105-N132 WeakPolarHBondContact O-CB 3.15Å; N105-N132 PolarHBondContact O-N 3.4Å; G106-N132 PolarHBondContact O-ND2 3.1Å; A116-N132 HydrophobicContact CB-CB 3.36Å; A116-N132 WeakPolarHBondContact CB-OD1 3.27Å; Q118-N132 WeakPolarHBondContact CG-OD1 3.3Å; N132-Y134 PolarHBondContact O-N 3.02Å
133	I	80.2	Confident	74.9	Confident	10 Å²	10	46.5 Å²	46.5	5%	0.051	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	126.2	166.8	-76.8	172.6	0	0	0	108.1	I102 A103 R117 T119 P131 Q136 L149	I102-I133 HydrophobicContact CD1-CD1 4.48Å; I102-I133 HydrophobicContact CG2-CD1 3.34Å; I102-I133 HydrophobicContact CG2-CG1 3.49Å; I102-I133 VanDerWaalsContact CG2-CG1 3.49Å; I102-I133 HydrophobicContact CG2-CG2 4.24Å; A103-I133 WeakPolarHBondContact O-CA 2.95Å; R117-I133 PolarHBondContact O-N 2.98Å; T119-I133 HydrophobicContact CG2-CB 4.15Å; T119-I133 HydrophobicContact CG2-CD1 3.99Å; T119-I133 HydrophobicContact CG2-CG1 4.37Å; T119-I133 WeakPolarHBondContact OG1-CB 3.13Å; T119-I133 VanDerWaalsContact OG1-CD1 3.26Å; T119-I133 WeakPolarHBondContact OG1-CD1 3.48Å; T119-I133 WeakPolarHBondContact OG1-CG1 3.17Å; T119-I133 PolarHBondContact OG1-N 3.48Å; P131-I133 PolarHBondContact O-N 3.34Å; I133-Q136 HydrophobicContact CG2-CB 4.44Å; I133-L149 HydrophobicContact CD1-CD1 3.29Å; I133-L149 HydrophobicContact CD1-CD2 4.46Å; I133-L149 HydrophobicContact CD1-CG 3.94Å; I133-L149 HydrophobicContact CG1-CD1 4.36Å
134	Y	80.9	Confident	76.2	Confident	107 Å²	107	47.7 Å²	47.7	42%	0.42	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-9.5	178.1	64.5	-95.9	0	0	0	112.9	A103 N105 A108 P109 N132	A103-Y134 HydrophobicContact CB-CD2 4.38Å; A103-Y134 HydrophobicContact CB-CE1 4.03Å; A103-Y134 HydrophobicContact CB-CE2 3.68Å; A103-Y134 VanDerWaalsContact CB-CZ 3.47Å; A103-Y134 WeakPolarHBondContact CB-OH 3.46Å; A103-Y134 PolarHBondContact O-N 2.94Å; N105-Y134 HydrophobicContact CB-CD1 4.19Å; N105-Y134 HydrophobicContact CB-CE1 3.81Å; A108-Y134 HydrophobicContact CB-CD1 4.33Å; A108-Y134 HydrophobicContact CB-CG 4.23Å; P109-Y134 HydrophobicContact CG-CD2 4.37Å; P109-Y134 HydrophobicContact CG-CE2 3.98Å; N132-Y134 PolarHBondContact O-N 3.02Å
135	Y	84.9	Confident	77.3	Confident	104 Å²	104	47.2 Å²	47.2	41%	0.408	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	140.4	174.5	174.4	-93.2	0	0	0	110.1	V93 A101 I102 A103 Q137	V93-Y135 HydrophobicContact CG1-CE1 4.17Å; A101-Y135 HydrophobicContact CB-CE1 4.43Å; I102-Y135 WeakPolarHBondContact CA-O 2.99Å; A103-Y135 HydrophobicContact CB-CD1 4.22Å; A103-Y135 PolarHBondContact N-O 2.79Å; A103-Y135 PolarHBondContact O-N 3.36Å; Y135-Q137 HydrophobicContact CE1-CB 4.13Å; Y135-Q137 PolarHBondContact OH-OE1 3.16Å
136	Q	86.5	Confident	78.3	Confident	95 Å²	95	50.3 Å²	50.3	44%	0.444	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	144.2	176.4	65.8	-176	13.9	0	0	110.3	A101 I133 T139	A101-Q136 CarbonylContact O-C 3.55Å; A101-Q136 VanDerWaalsContact O-CA 3.32Å; A101-Q136 WeakPolarHBondContact O-CA 3.32Å; I133-Q136 HydrophobicContact CG2-CB 4.44Å; Q136-T139 HydrophobicContact CB-CG2 3.78Å; Q136-T139 HydrophobicContact CG-CG2 4.42Å
137	Q	85.9	Confident	79.5	Confident	39 Å²	39	53.6 Å²	53.6	18%	0.182	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	137.6	178.5	176.9	177	-48	0	0	109.8	V93 A101 Y135 T139	V93-Q137 PolarHBondContact O-NE2 3.05Å; V93-Q137 PolarHBondContact O-OE1 2.79Å; A101-Q137 HydrophobicContact CB-CB 4.27Å; A101-Q137 PolarHBondContact N-O 3.2Å; A101-Q137 VanDerWaalsContact N-O 3.14Å; A101-Q137 PolarHBondContact O-N 2.83Å; Y135-Q137 HydrophobicContact CE1-CB 4.13Å; Y135-Q137 PolarHBondContact OH-OE1 3.16Å; Q137-T139 PolarHBondContact O-N 2.86Å; Q137-T139 VanDerWaalsContact O-N 3.09Å
138	N	88.6	Confident	80.8	Confident	35 Å²	35	57.5 Å²	57.5	19%	0.187	29%	0.292	C	S	.	.	S	Bend	trans	51.9	29.7	176.2	-60.6	-35.6	0	0	0	114.6	A97 A99 E140 K141	A97-N138 PolarHBondContact O-ND2 3.26Å; A99-N138 WeakPolarHBondContact O-CB 3.35Å; A99-N138 PolarHBondContact O-ND2 3.2Å; N138-E140 WeakPolarHBondContact CA-OE1 2.56Å; N138-E140 VanDerWaalsContact CA-OE2 3.29Å; N138-E140 WeakPolarHBondContact CA-OE2 3.08Å; N138-E140 PolarHBondContact O-N 2.78Å; N138-K141 HydrophobicContact CB-CD 4.15Å; N138-K141 WeakPolarHBondContact O-CB 2.83Å; N138-K141 PolarHBondContact O-N 3.05Å
139	T	87.2	Confident	81.4	Confident	26 Å²	26	57.7 Å²	57.7	16%	0.16	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-67	-18.2	-174.7	47.1	0	0	0	0	113.6	I102 Q136 Q137 K141 A142 A150	I102-T139 HydrophobicContact CD1-CG2 4.21Å; I102-T139 HydrophobicContact CG1-CG2 4.05Å; Q136-T139 HydrophobicContact CB-CG2 3.78Å; Q136-T139 HydrophobicContact CG-CG2 4.42Å; Q137-T139 PolarHBondContact O-N 2.86Å; Q137-T139 VanDerWaalsContact O-N 3.09Å; T139-K141 PolarHBondContact O-N 3.23Å; T139-A142 WeakPolarHBondContact O-CB 3.02Å; T139-A142 PolarHBondContact O-N 2.8Å; T139-A150 HydrophobicContact CG2-CB 3.58Å
140	E	89.1	Confident	82	Confident	125 Å²	125	55.6 Å²	55.6	58%	0.584	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-62.7	-23	169.6	72.3	-67.9	160.9	0	0	113.1	N138	N138-E140 WeakPolarHBondContact CA-OE1 2.56Å; N138-E140 VanDerWaalsContact CA-OE2 3.29Å; N138-E140 WeakPolarHBondContact CA-OE2 3.08Å; N138-E140 PolarHBondContact O-N 2.78Å
141	K	88.4	Confident	82.8	Confident	83 Å²	83	57.8 Å²	57.8	36%	0.361	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-87.7	-10.4	173.9	-54.8	179.3	-169.2	170.2	0	112.6	A97 D98 V100 N138 T139	A97-K141 PolarHBondContact O-NZ 2.89Å; D98-K141 IonicContact OD1-NZ 3.42Å; D98-K141 PolarHBondContact OD1-NZ 3.02Å; V100-K141 HydrophobicContact CG2-CB 4.03Å; N138-K141 HydrophobicContact CB-CD 4.15Å; N138-K141 WeakPolarHBondContact O-CB 2.83Å; N138-K141 PolarHBondContact O-N 3.05Å; T139-K141 PolarHBondContact O-N 3.23Å
142	A	85.7	Confident	83.1	Confident	6 Å²	6	58.9 Å²	58.9	5%	0.05	31%	0.307	C	S	.	.			trans	-65.1	149.4	176.5	0	0	0	0	0	110.5	V100 T139 L146 K147	V100-A142 HydrophobicContact CG1-CB 3.97Å; T139-A142 WeakPolarHBondContact O-CB 3.02Å; T139-A142 PolarHBondContact O-N 2.8Å; A142-L146 HydrophobicContact CB-CB 4.36Å; A142-L146 HydrophobicContact CB-CD2 4.12Å; A142-L146 HydrophobicContact CB-CG 4.11Å; A142-K147 HydrophobicContact CB-CB 4.03Å; A142-K147 WeakPolarHBondContact O-CB 3.25Å
143	T	84	Confident	83.4	Confident	115 Å²	115	61.3 Å²	61.3	71%	0.706	32%	0.323	S	S	*	.			trans	-128.2	162.8	176.6	61.3	0	0	0	0	111.3	L146 K147	T143-L146 PolarHBondContact O-N 3.47Å; T143-K147 PolarHBondContact O-N 3.43Å
144	G	84.2	Confident	83.2	Confident	50 Å²	50	61 Å²	61	52%	0.515	32%	0.322	S	S	.	.	H	α-helix	trans	54	-139.1	179.2	0	0	0	0	0	112.7	L146 K147 E148	G144-L146 PolarHBondContact O-N 3.22Å; G144-K147 WeakPolarHBondContact O-CB 2.98Å; G144-K147 PolarHBondContact O-N 3.41Å; G144-K147 VanDerWaalsContact O-N 3.1Å; G144-E148 PolarHBondContact O-N 2.69Å
145	T	77.5	Confident	82.9	Confident	47 Å²	47	61 Å²	61	29%	0.288	33%	0.332	S	S	.	.	H	α-helix	trans	-67.6	-19.8	-173.8	-42	0	0	0	0	112.9	A123 E124 L149 V154	A123-T145 VanDerWaalsContact CB-CB 3.42Å; A123-T145 HydrophobicContact CB-CG2 3.5Å; A123-T145 VanDerWaalsContact CB-CG2 3.5Å; E124-T145 HydrophobicContact CB-CG2 4Å; E124-T145 VanDerWaalsContact N-CG2 3.31Å; T145-L149 VanDerWaalsContact O-CB 3.3Å; T145-L149 WeakPolarHBondContact O-CB 2.89Å; T145-L149 PolarHBondContact O-N 2.61Å; T145-V154 HydrophobicContact CG2-CG1 4.34Å; T145-V154 HydrophobicContact CG2-CG2 4.08Å
146	L	78.6	Confident	82.4	Confident	68 Å²	68	57.2 Å²	57.2	36%	0.356	32%	0.32	S	S	.	.	H	α-helix	trans	-71.1	-35.2	175.3	-172.6	71.5	0	0	0	111.3	V100 I102 A142 T143 G144 L149 A150	V100-L146 HydrophobicContact CG1-CD2 3.83Å; I102-L146 HydrophobicContact CD1-CD1 3.94Å; I102-L146 HydrophobicContact CD1-CG 4.37Å; A142-L146 HydrophobicContact CB-CB 4.36Å; A142-L146 HydrophobicContact CB-CD2 4.12Å; A142-L146 HydrophobicContact CB-CG 4.11Å; T143-L146 PolarHBondContact O-N 3.47Å; G144-L146 PolarHBondContact O-N 3.22Å; L146-L149 HydrophobicContact CD1-CD2 3.88Å; L146-L149 WeakPolarHBondContact O-CB 3.26Å; L146-A150 PolarHBondContact O-N 2.92Å; L146-A150 VanDerWaalsContact O-N 3.16Å
147	K	84.1	Confident	81.9	Confident	84 Å²	84	63.9 Å²	63.9	37%	0.365	34%	0.341	S	S	.	.	H	α-helix	trans	-67.5	-49.6	171.2	-176.8	174.5	175.2	172.3	0	111	A142 T143 G144 L149 A150 E151	A142-K147 HydrophobicContact CB-CB 4.03Å; A142-K147 WeakPolarHBondContact O-CB 3.25Å; T143-K147 PolarHBondContact O-N 3.43Å; G144-K147 WeakPolarHBondContact O-CB 2.98Å; G144-K147 PolarHBondContact O-N 3.41Å; G144-K147 VanDerWaalsContact O-N 3.1Å; K147-L149 PolarHBondContact O-N 3.24Å; K147-A150 PolarHBondContact O-N 2.94Å; K147-E151 WeakPolarHBondContact CE-OE1 3.35Å; K147-E151 HydrophobicContact CG-CG 4.44Å; K147-E151 IonicContact NZ-OE1 3.54Å; K147-E151 WeakPolarHBondContact O-CG 3.38Å; K147-E151 PolarHBondContact O-N 2.77Å
148	E	82.9	Confident	81.9	Confident	82 Å²	82	71.2 Å²	71.2	38%	0.383	37%	0.367	S	S	.	.	H	α-helix	trans	-56.1	-37.1	177.1	-65.7	173.3	179.6	0	0	111.4	G144 G152 T153 V154	G144-E148 PolarHBondContact O-N 2.69Å; E148-G152 PolarHBondContact O-N 3.34Å; E148-T153 VanDerWaalsContact CA-OG1 3.29Å; E148-T153 WeakPolarHBondContact CA-OG1 3.12Å; E148-T153 PolarHBondContact O-N 2.74Å; E148-T153 PolarHBondContact O-OG1 2.85Å; E148-V154 VanDerWaalsContact C-CG2 3.44Å; E148-V154 HydrophobicContact CB-CG2 3.57Å; E148-V154 PolarHBondContact O-N 3.11Å
149	L	78.6	Confident	82	Confident	3 Å²	3	73.5 Å²	73.5	2%	0.016	38%	0.383	C	S	.	.	H	α-helix	trans	-57.3	-60.6	171.9	155.8	48.7	0	0	0	110.6	I102 S121 I133 T145 L146 K147 E151 G152 V154	I102-L149 HydrophobicContact CD1-CD2 3.51Å; I102-L149 HydrophobicContact CD1-CG 4.01Å; I102-L149 HydrophobicContact CG2-CD2 4.42Å; S121-L149 VanDerWaalsContact CB-CB 3.44Å; S121-L149 WeakPolarHBondContact OG-CD1 3.09Å; S121-L149 WeakPolarHBondContact OG-CD2 3.3Å; S121-L149 WeakPolarHBondContact OG-CG 2.8Å; I133-L149 HydrophobicContact CD1-CD1 3.29Å; I133-L149 HydrophobicContact CD1-CD2 4.46Å; I133-L149 HydrophobicContact CD1-CG 3.94Å; I133-L149 HydrophobicContact CG1-CD1 4.36Å; T145-L149 VanDerWaalsContact O-CB 3.3Å; T145-L149 WeakPolarHBondContact O-CB 2.89Å; T145-L149 PolarHBondContact O-N 2.61Å; L146-L149 HydrophobicContact CD1-CD2 3.88Å; L146-L149 WeakPolarHBondContact O-CB 3.26Å; K147-L149 PolarHBondContact O-N 3.24Å; L149-E151 PolarHBondContact O-N 3.22Å; L149-E151 VanDerWaalsContact O-N 3.16Å; L149-G152 WeakPolarHBondContact O-CA 2.76Å; L149-G152 PolarHBondContact O-N 3.13Å; L149-V154 HydrophobicContact CB-CG2 4.23Å; L149-V154 VanDerWaalsContact N-CG2 3.31Å
150	A	80.7	Confident	82.2	Confident	5 Å²	5	73.7 Å²	73.7	4%	0.041	39%	0.386	C	S	.	.	H	α-helix	trans	-57.8	-36.1	-172.7	0	0	0	0	0	110.8	I102 R117 T139 L146 K147 G152	I102-A150 HydrophobicContact CD1-CB 4.14Å; R117-A150 PolarHBondContact NH1-O 2.47Å; T139-A150 HydrophobicContact CG2-CB 3.58Å; L146-A150 PolarHBondContact O-N 2.92Å; L146-A150 VanDerWaalsContact O-N 3.16Å; K147-A150 PolarHBondContact O-N 2.94Å; A150-G152 VanDerWaalsContact C-N 3.32Å; A150-G152 PolarHBondContact O-N 3.06Å
151	E	83.7	Confident	82.2	Confident	93 Å²	93	69.8 Å²	69.8	44%	0.435	37%	0.368	S	S	.	.	H	α-helix	trans	-76.9	-15.5	177.3	-66.5	176.3	169.9	0	0	113.7	R117 K147 L149 T153	R117-E151 VanDerWaalsContact NH1-C 3.27Å; R117-E151 PolarHBondContact NH1-O 3.39Å; K147-E151 WeakPolarHBondContact CE-OE1 3.35Å; K147-E151 HydrophobicContact CG-CG 4.44Å; K147-E151 IonicContact NZ-OE1 3.54Å; K147-E151 WeakPolarHBondContact O-CG 3.38Å; K147-E151 PolarHBondContact O-N 2.77Å; L149-E151 PolarHBondContact O-N 3.22Å; L149-E151 VanDerWaalsContact O-N 3.16Å; E151-T153 HydrophobicContact CB-CG2 3.98Å
152	G	77.8	Confident	82.3	Confident	35 Å²	35	72.2 Å²	72.2	36%	0.361	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	20.2	-177.6	0	0	0	0	0	113.8	E148 L149 A150	E148-G152 PolarHBondContact O-N 3.34Å; L149-G152 WeakPolarHBondContact O-CA 2.76Å; L149-G152 PolarHBondContact O-N 3.13Å; A150-G152 VanDerWaalsContact C-N 3.32Å; A150-G152 PolarHBondContact O-N 3.06Å
153	T	82.2	Confident	82.4	Confident	76 Å²	76	74.7 Å²	74.7	47%	0.466	39%	0.388	S	S	.	.			trans	-99.3	-3.5	-172.3	57.5	0	0	0	0	113.8	E148 E151 T155	E148-T153 VanDerWaalsContact CA-OG1 3.29Å; E148-T153 WeakPolarHBondContact CA-OG1 3.12Å; E148-T153 PolarHBondContact O-N 2.74Å; E148-T153 PolarHBondContact O-OG1 2.85Å; E151-T153 HydrophobicContact CB-CG2 3.98Å; T153-T155 PolarHBondContact O-N 2.9Å
154	V	76.8	Confident	82.7	Confident	4 Å²	4	72 Å²	72	2%	0.024	38%	0.377	C	S	.	.			trans	-56.9	128.2	179	-178.3	0	0	0	0	111.7	E124 A127 T145 E148 L149	E124-V154 HydrophobicContact CG-CG1 4.2Å; A127-V154 HydrophobicContact CB-CB 4.05Å; A127-V154 HydrophobicContact CB-CG1 3.43Å; A127-V154 VanDerWaalsContact CB-CG1 3.43Å; T145-V154 HydrophobicContact CG2-CG1 4.34Å; T145-V154 HydrophobicContact CG2-CG2 4.08Å; E148-V154 VanDerWaalsContact C-CG2 3.44Å; E148-V154 HydrophobicContact CB-CG2 3.57Å; E148-V154 PolarHBondContact O-N 3.11Å; L149-V154 HydrophobicContact CB-CG2 4.23Å; L149-V154 VanDerWaalsContact N-CG2 3.31Å
155	T	73.3	Confident	82.9	Confident	106 Å²	106	74.4 Å²	74.4	65%	0.65	37%	0.374	S	S	*	.			trans	-110.8	119.1	173.4	62.3	0	0	0	0	111.2	T153	T153-T155 PolarHBondContact O-N 2.9Å
156	T	73.8	Confident	83.4	Confident	25 Å²	25	77.3 Å²	77.3	15%	0.153	39%	0.387	C	S	.	.			trans	-94.4	110.1	173.9	60.8	0	0	0	0	109.3	E124 A127 Y128	E124-T156 HydrophobicContact CG-CG2 4.42Å; A127-T156 HydrophobicContact CB-CG2 3.82Å; Y128-T156 HydrophobicContact CD2-CG2 3.62Å; Y128-T156 HydrophobicContact CE2-CG2 3.47Å; Y128-T156 VanDerWaalsContact CE2-CG2 3.47Å; Y128-T156 HydrophobicContact CG-CG2 4.17Å
157	R	77.9	Confident	83.8	Confident	235 Å²	235	75.2 Å²	75.2	89%	0.887	38%	0.377	S	S	*	.			trans	-80.4	-33.5	178.4	-69	-172.6	-178.4	-169.9	0.9	113.4
158	R	85.9	Confident	83.8	Confident	192 Å²	192	75 Å²	75	73%	0.725	39%	0.387	S	S	*	.	S	Bend	trans	-88.5	158.5	-179.1	-58.5	-175.8	-178.6	-162.5	0.3	109.8	Y128 A160	Y128-R158 WeakPolarHBondContact CE1-O 3.45Å; Y128-R158 PolarHBondContact OH-O 3.09Å; R158-A160 WeakPolarHBondContact CB-O 3.14Å
159	V	88.8	Confident	83.7	Confident	84 Å²	84	71.6 Å²	71.6	51%	0.509	37%	0.374	S	S	.	.	S	Bend	trans	-85.9	-21.6	171.4	-64.5	0	0	0	0	112.3	K181	V159-K181 PolarHBondContact O-N 2.91Å
160	A	91.4	Very high	84	Confident	29 Å²	29	80.4 Å²	80.4	24%	0.24	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	138.3	179.2	0	0	0	0	0	109.5	R158 S179 L180 L190	R158-A160 WeakPolarHBondContact CB-O 3.14Å; A160-S179 CarbonylContact C-O 3.48Å; A160-S179 WeakPolarHBondContact CA-O 3.35Å; A160-L180 HydrophobicContact CB-CD1 3.73Å; A160-L190 HydrophobicContact CB-CD1 4.36Å; A160-L190 HydrophobicContact CB-CD2 4.19Å
161	K	89.4	Confident	84.4	Confident	43 Å²	43	83.1 Å²	83.1	19%	0.187	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	140.8	171.4	-169.5	170.7	-173.5	-176.7	0	109.1	E124 Y128 N163 S179	E124-K161 IonicContact OE1-NZ 3.3Å; E124-K161 PolarHBondContact OE1-NZ 3.03Å; E124-K161 IonicContact OE2-NZ 3.45Å; E124-K161 PolarHBondContact OE2-NZ 3.23Å; Y128-K161 HydrophobicContact CD2-CB 4.38Å; Y128-K161 HydrophobicContact CE1-CB 4.15Å; Y128-K161 HydrophobicContact CE2-CB 3.74Å; Y128-K161 HydrophobicContact CE2-CD 3.93Å; Y128-K161 HydrophobicContact CE2-CG 4.46Å; K161-N163 WeakPolarHBondContact CE-OD1 3.12Å; K161-S179 PolarHBondContact N-O 3.37Å; K161-S179 PolarHBondContact O-N 2.83Å
162	Y	90.7	Very high	84.7	Confident	135 Å²	135	82.7 Å²	82.7	53%	0.529	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	145.9	164.3	79.9	-84.3	0	0	0	108.7	T177	Y162-T177 CarbonylContact C-O 3.47Å; Y162-T177 WeakPolarHBondContact CA-O 3.12Å; Y162-T177 WeakPolarHBondContact CB-O 3.48Å
163	N	88.8	Confident	85.4	Confident	57 Å²	57	81.4 Å²	81.4	31%	0.305	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	156.7	175.3	-48.7	-76.8	0	0	0	109.2	K161 R176 T177	K161-N163 WeakPolarHBondContact CE-OD1 3.12Å; N163-R176 CarbonylContact O-C 3.58Å; N163-R176 WeakPolarHBondContact O-CA 3.35Å; N163-T177 PolarHBondContact N-O 3.04Å; N163-T177 PolarHBondContact ND2-OG1 3.01Å; N163-T177 PolarHBondContact O-N 3.44Å
164	A	89.5	Confident	86.1	Confident	59 Å²	59	79.7 Å²	79.7	49%	0.488	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	141.8	168.7	0	0	0	0	0	108.4	F175 R176	A164-F175 CarbonylContact C-O 3.59Å; A164-F175 VanDerWaalsContact CA-O 3.3Å; A164-F175 WeakPolarHBondContact CA-O 3.1Å; A164-R176 HydrophobicContact CB-CG 3.96Å
165	F	88.3	Confident	86.9	Confident	101 Å²	101	80.9 Å²	80.9	44%	0.443	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	157.5	173.4	62.7	-86.4	0	0	0	109.2	F175 T177	F165-F175 HydrophobicContact CD1-CB 4.17Å; F165-F175 HydrophobicContact CD2-CB 4.11Å; F165-F175 HydrophobicContact CE1-CB 3.66Å; F165-F175 HydrophobicContact CE2-CB 3.59Å; F165-F175 HydrophobicContact CE2-CD2 4.35Å; F165-F175 HydrophobicContact CE2-CG 4.07Å; F165-F175 HydrophobicContact CG-CB 4.38Å; F165-F175 HydrophobicContact CZ-CB 3.35Å; F165-F175 HydrophobicContact CZ-CD1 4.49Å; F165-F175 AromaticContact CZ-CG 3.98Å; F165-F175 HydrophobicContact CZ-CG 3.98Å; F165-F175 PolarHBondContact N-O 3Å; F165-F175 PolarHBondContact O-N 3.49Å; F165-T177 HydrophobicContact CE1-CG2 4.04Å
166	N	88.9	Confident	88	Confident	107 Å²	107	78.3 Å²	78.3	57%	0.572	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	144.8	168.9	-65.5	-35.9	0	0	0	108.4	P172 T173 E174	N166-P172 HydrophobicContact CB-CB 4.28Å; N166-T173 WeakPolarHBondContact CA-O 3.49Å; N166-E174 VanDerWaalsContact OD1-CA 3.28Å; N166-E174 WeakPolarHBondContact OD1-CA 2.93Å; N166-E174 WeakPolarHBondContact OD1-CB 2.89Å
167	T	87.1	Confident	88.9	Confident	24 Å²	24	78.2 Å²	78.2	15%	0.147	39%	0.394	C	S	.	.			trans	-71.8	165.3	168.5	55.3	0	0	0	0	111.2	D48 P172 T173 F175	D48-T167 VanDerWaalsContact CG-CB 3.44Å; D48-T167 VanDerWaalsContact CG-OG1 3.29Å; D48-T167 WeakPolarHBondContact OD1-CB 3.48Å; D48-T167 PolarHBondContact OD1-OG1 3.03Å; D48-T167 WeakPolarHBondContact OD2-CB 3.29Å; D48-T167 PolarHBondContact OD2-OG1 2.94Å; T167-P172 WeakPolarHBondContact O-CB 3.44Å; T167-T173 PolarHBondContact N-O 3.17Å; T167-T173 VanDerWaalsContact N-O 3.1Å; T167-T173 PolarHBondContact OG1-N 3.2Å; T167-T173 PolarHBondContact OG1-O 3.18Å; T167-F175 HydrophobicContact CG2-CD2 3.58Å; T167-F175 HydrophobicContact CG2-CE2 3.49Å; T167-F175 VanDerWaalsContact CG2-CE2 3.49Å
168	S	82.7	Confident	89.6	Confident	80 Å²	80	67 Å²	67	56%	0.559	35%	0.352	S	S	*	.			trans	-103.1	0.9	-170.5	49.3	0	0	0	0	114.5	D35 D48	D35-S168 PolarHBondContact OD2-OG 3.01Å; D48-S168 PolarHBondContact OD1-N 3.32Å
169	G	82.2	Confident	89.8	Confident	11 Å²	11	58 Å²	58	11%	0.113	32%	0.318	C	S	.	.	S	Bend	trans	-67.6	176.1	178.1	0	0	0	0	0	114.5	D48 A171 P172	D48-G169 VanDerWaalsContact CG-CA 3.5Å; D48-G169 VanDerWaalsContact OD1-CA 3.3Å; D48-G169 WeakPolarHBondContact OD1-CA 3.32Å; D48-G169 PolarHBondContact OD1-N 3.46Å; G169-A171 PolarHBondContact O-N 2.82Å; G169-P172 VanDerWaalsContact O-CD 3.27Å; G169-P172 WeakPolarHBondContact O-CD 3.29Å
170	K	84.5	Confident	89.9	Confident	187 Å²	187	54 Å²	54	81%	0.813	29%	0.294	S	S	*	.	S	Bend	trans	-52.5	-34.6	-175.4	-64	176.1	-170	153.8	0	113.7	E67	E67-K170 IonicContact OE1-NZ 3.66Å; E67-K170 PolarHBondContact OE1-NZ 3.11Å
171	A	88.6	Confident	89.7	Confident	63 Å²	63	56.4 Å²	56.4	52%	0.521	30%	0.299	S	S	.	.	S	Bend	trans	-121.7	87.2	174.2	0	0	0	0	0	109	G169 T173	G169-A171 PolarHBondContact O-N 2.82Å; A171-T173 PolarHBondContact O-N 2.89Å; A171-T173 PolarHBondContact O-OG1 3.1Å
172	P	90.1	Very high	89.6	Confident	83 Å²	83	55.6 Å²	55.6	54%	0.539	30%	0.299	S	S	.	.			trans	-52.7	128.2	-178.2	-30.5	38.1	0	0	0	112	N166 T167 G169	N166-P172 HydrophobicContact CB-CB 4.28Å; T167-P172 WeakPolarHBondContact O-CB 3.44Å; G169-P172 VanDerWaalsContact O-CD 3.27Å; G169-P172 WeakPolarHBondContact O-CD 3.29Å
173	T	93	Very high	89.6	Confident	9 Å²	9	54.9 Å²	54.9	6%	0.055	30%	0.304	C	S	.	.			trans	-107.8	131.1	179.4	-62.3	0	0	0	0	109.3	W49 N166 T167 A171 F175 L276	W49-T173 PolarHBondContact NE1-OG1 3Å; N166-T173 WeakPolarHBondContact CA-O 3.49Å; T167-T173 PolarHBondContact N-O 3.17Å; T167-T173 VanDerWaalsContact N-O 3.1Å; T167-T173 PolarHBondContact OG1-N 3.2Å; T167-T173 PolarHBondContact OG1-O 3.18Å; A171-T173 PolarHBondContact O-N 2.89Å; A171-T173 PolarHBondContact O-OG1 3.1Å; T173-F175 HydrophobicContact CG2-CD2 4.14Å; T173-F175 HydrophobicContact CG2-CE2 3.69Å; T173-F175 HydrophobicContact CG2-CZ 4.47Å; T173-F175 WeakPolarHBondContact O-CD2 3.27Å; T173-F175 PolarHBondContact O-N 3.44Å; T173-L276 HydrophobicContact CG2-CB 4.41Å
174	E	95.6	Very high	89.7	Confident	40 Å²	40	56.4 Å²	56.4	19%	0.187	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	124	177.2	-167.5	-169.4	162	0	0	109.5	N166 R176 W254 L276 K277	N166-E174 VanDerWaalsContact OD1-CA 3.28Å; N166-E174 WeakPolarHBondContact OD1-CA 2.93Å; N166-E174 WeakPolarHBondContact OD1-CB 2.89Å; E174-R176 IonicContact OE1-CZ 2.73Å; E174-R176 VanDerWaalsContact OE1-CZ 3.3Å; E174-R176 IonicContact OE1-NE 2.83Å; E174-R176 PolarHBondContact OE1-NE 2.71Å; E174-R176 IonicContact OE1-NH2 3.72Å; E174-R176 PolarHBondContact OE1-NH2 2.87Å; E174-W254 HydrophobicContact CB-CH2 4.19Å; E174-W254 HydrophobicContact CG-CH2 3.76Å; E174-W254 WeakPolarHBondContact OE1-CH2 3.21Å; E174-L276 WeakPolarHBondContact O-CA 3.33Å; E174-K277 HydrophobicContact CB-CB 4.13Å; E174-K277 HydrophobicContact CB-CD 4.46Å; E174-K277 PolarHBondContact O-N 2.97Å; E174-K277 WeakPolarHBondContact OE2-CD 3.4Å; E174-K277 IonicContact OE2-NZ 2.65Å
175	F	94.9	Very high	89.9	Confident	29 Å²	29	54.4 Å²	54.4	13%	0.127	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	146.7	170.4	-79.2	-102.5	0	0	0	110.9	W49 A164 F165 T167 T173 V274 C275 L276	W49-F175 HydrophobicContact CB-CZ 4.13Å; W49-F175 HydrophobicContact CG-CE2 4.39Å; W49-F175 HydrophobicContact CG-CZ 4.15Å; A164-F175 CarbonylContact C-O 3.59Å; A164-F175 VanDerWaalsContact CA-O 3.3Å; A164-F175 WeakPolarHBondContact CA-O 3.1Å; F165-F175 HydrophobicContact CD1-CB 4.17Å; F165-F175 HydrophobicContact CD2-CB 4.11Å; F165-F175 HydrophobicContact CE1-CB 3.66Å; F165-F175 HydrophobicContact CE2-CB 3.59Å; F165-F175 HydrophobicContact CE2-CD2 4.35Å; F165-F175 HydrophobicContact CE2-CG 4.07Å; F165-F175 HydrophobicContact CG-CB 4.38Å; F165-F175 HydrophobicContact CZ-CB 3.35Å; F165-F175 HydrophobicContact CZ-CD1 4.49Å; F165-F175 AromaticContact CZ-CG 3.98Å; F165-F175 HydrophobicContact CZ-CG 3.98Å; F165-F175 PolarHBondContact N-O 3Å; F165-F175 PolarHBondContact O-N 3.49Å; T167-F175 HydrophobicContact CG2-CD2 3.58Å; T167-F175 HydrophobicContact CG2-CE2 3.49Å; T167-F175 VanDerWaalsContact CG2-CE2 3.49Å; T173-F175 HydrophobicContact CG2-CD2 4.14Å; T173-F175 HydrophobicContact CG2-CE2 3.69Å; T173-F175 HydrophobicContact CG2-CZ 4.47Å; T173-F175 WeakPolarHBondContact O-CD2 3.27Å; T173-F175 PolarHBondContact O-N 3.44Å; F175-V274 HydrophobicContact CD1-CG2 3.8Å; F175-V274 HydrophobicContact CE1-CG2 4.46Å; F175-C275 CarbonylContact C-O 2.84Å; F175-C275 WeakPolarHBondContact CA-O 3.15Å; F175-L276 HydrophobicContact CD1-CB 4.04Å; F175-L276 HydrophobicContact CE1-CB 3.68Å; F175-L276 HydrophobicContact CE2-CB 4.29Å; F175-L276 HydrophobicContact CZ-CB 3.82Å
176	R	95	Very high	90.1	Very high	51 Å²	51	49.6 Å²	49.6	19%	0.192	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135.7	170.5	-68.1	-178.5	-176.9	-167.3	4	110.7	N163 A164 E174 F178 A194 W254 V274 C275	N163-R176 CarbonylContact O-C 3.58Å; N163-R176 WeakPolarHBondContact O-CA 3.35Å; A164-R176 HydrophobicContact CB-CG 3.96Å; E174-R176 IonicContact OE1-CZ 2.73Å; E174-R176 VanDerWaalsContact OE1-CZ 3.3Å; E174-R176 IonicContact OE1-NE 2.83Å; E174-R176 PolarHBondContact OE1-NE 2.71Å; E174-R176 IonicContact OE1-NH2 3.72Å; E174-R176 PolarHBondContact OE1-NH2 2.87Å; R176-F178 HydrophobicContact CB-CE2 3.72Å; R176-F178 HydrophobicContact CB-CZ 3.88Å; R176-A194 PolarHBondContact NH1-O 2.98Å; R176-A194 VanDerWaalsContact NH1-O 3.13Å; R176-W254 HydrophobicContact CB-CH2 4.45Å; R176-W254 HydrophobicContact CB-CZ3 4.28Å; R176-W254 VanDerWaalsContact CD-CH2 3.45Å; R176-W254 HydrophobicContact CG-CH2 3.6Å; R176-W254 HydrophobicContact CG-CZ2 4.36Å; R176-W254 HydrophobicContact CG-CZ3 3.89Å; R176-W254 VanDerWaalsContact NE-CH2 3.27Å; R176-W254 VanDerWaalsContact NE-CZ2 3.27Å; R176-V274 CarbonylContact O-C 3.45Å; R176-V274 WeakPolarHBondContact O-CA 3.29Å; R176-C275 HydrophobicContact CB-CB 4.49Å; R176-C275 PolarHBondContact N-O 3.16Å; R176-C275 PolarHBondContact O-N 2.64Å
177	T	93	Very high	90.5	Very high	23 Å²	23	44.5 Å²	44.5	14%	0.141	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	145	173.2	53	0	0	0	0	109.8	Y162 N163 F165 A273 V274	Y162-T177 CarbonylContact C-O 3.47Å; Y162-T177 WeakPolarHBondContact CA-O 3.12Å; Y162-T177 WeakPolarHBondContact CB-O 3.48Å; N163-T177 PolarHBondContact N-O 3.04Å; N163-T177 PolarHBondContact ND2-OG1 3.01Å; N163-T177 PolarHBondContact O-N 3.44Å; F165-T177 HydrophobicContact CE1-CG2 4.04Å; T177-A273 CarbonylContact C-O 3.33Å; T177-A273 WeakPolarHBondContact CA-O 3.34Å; T177-V274 HydrophobicContact CG2-CG2 4.37Å
178	F	93.3	Very high	90.9	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	136.7	178.9	-59.2	-83.6	0	0	0	108.9	R176 L186 L190 M191 A194 L195 G272 A273 C275	R176-F178 HydrophobicContact CB-CE2 3.72Å; R176-F178 HydrophobicContact CB-CZ 3.88Å; F178-L186 HydrophobicContact CB-CD1 4.07Å; F178-L190 HydrophobicContact CB-CD2 4.27Å; F178-L190 HydrophobicContact CD1-CD2 4.19Å; F178-L190 HydrophobicContact CD1-CG 4.04Å; F178-M191 HydrophobicContact CB-CG 4.1Å; F178-M191 HydrophobicContact CD1-CG 4Å; F178-M191 HydrophobicContact CD2-CE 4.19Å; F178-M191 HydrophobicContact CD2-CG 4.07Å; F178-M191 HydrophobicContact CG-CG 3.76Å; F178-A194 HydrophobicContact CE1-CB 3.57Å; F178-A194 HydrophobicContact CZ-CB 4.31Å; F178-L195 HydrophobicContact CE2-CD2 4.38Å; F178-L195 HydrophobicContact CZ-CD1 4.37Å; F178-L195 HydrophobicContact CZ-CD2 3.86Å; F178-L195 HydrophobicContact CZ-CG 3.94Å; F178-G272 CarbonylContact O-C 3.54Å; F178-G272 WeakPolarHBondContact O-CA 3.15Å; F178-A273 HydrophobicContact CB-CB 4.34Å; F178-A273 HydrophobicContact CD2-CB 4.43Å; F178-A273 PolarHBondContact N-O 3.31Å; F178-A273 PolarHBondContact O-N 2.9Å; F178-C275 HydrophobicContact CE2-CB 4.29Å; F178-C275 VanDerWaalsContact CE2-SG 3.5Å
179	S	90.3	Very high	91.4	Very high	1 Å²	1	43 Å²	43	1%	0.007	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	126.4	-176.6	-57.9	0	0	0	0	108.5	G125 A160 K161	G125-S179 VanDerWaalsContact C-OG 3.27Å; G125-S179 WeakPolarHBondContact CA-OG 3.37Å; G125-S179 WeakPolarHBondContact O-CB 3.26Å; G125-S179 PolarHBondContact O-OG 3Å; A160-S179 CarbonylContact C-O 3.48Å; A160-S179 WeakPolarHBondContact CA-O 3.35Å; K161-S179 PolarHBondContact N-O 3.37Å; K161-S179 PolarHBondContact O-N 2.83Å
180	L	90.5	Very high	92.1	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	119.8	-178.1	-173.2	73	0	0	0	110.6	A160 S182 M184 L186 P270 K271	A160-L180 HydrophobicContact CB-CD1 3.73Å; L180-S182 WeakPolarHBondContact CD1-OG 3.12Å; L180-S182 WeakPolarHBondContact CG-OG 3.46Å; L180-M184 HydrophobicContact CD1-CE 4.19Å; L180-M184 HydrophobicContact CD2-CB 4.05Å; L180-M184 VanDerWaalsContact CD2-O 3.32Å; L180-M184 WeakPolarHBondContact CD2-O 3.18Å; L180-L186 HydrophobicContact CB-CB 4.39Å; L180-L186 HydrophobicContact CB-CD1 3.7Å; L180-L186 HydrophobicContact CD2-CB 4.09Å; L180-P270 WeakPolarHBondContact O-CA 3.47Å; L180-K271 PolarHBondContact N-O 2.77Å; L180-K271 PolarHBondContact O-N 3.12Å
181	K	86.9	Confident	92.7	Very high	80 Å²	80	34.7 Å²	34.7	35%	0.348	20%	0.195	S	C	.	.			trans	-116.4	68.9	172.8	-173.8	-173.1	166.7	-176.6	0	108.9	Y128 M130 V159 P270	Y128-K181 HydrophobicContact CD1-CB 3.87Å; M130-K181 HydrophobicContact CE-CD 3.67Å; M130-K181 HydrophobicContact CE-CG 4.47Å; V159-K181 PolarHBondContact O-N 2.91Å; K181-P270 HydrophobicContact CG-CG 4.46Å
182	S	88.3	Confident	93.2	Very high	26 Å²	26	31.7 Å²	31.7	18%	0.182	17%	0.171	C	C	.	.	S	Bend	trans	-155.1	166.6	174.4	74	0	0	0	0	109.9	L180 M184	L180-S182 WeakPolarHBondContact CD1-OG 3.12Å; L180-S182 WeakPolarHBondContact CG-OG 3.46Å; S182-M184 PolarHBondContact O-N 3.34Å; S182-M184 WeakPolarHBondContact OG-CB 3.22Å; S182-M184 PolarHBondContact OG-N 3.09Å
183	N	89.8	Confident	93.5	Very high	120 Å²	120	32.6 Å²	32.6	64%	0.642	17%	0.17	S	C	*	.	S	Bend	trans	-70.3	5.2	174.8	-66	-23.1	0	0	0	114.2	R267 S268	N183-R267 WeakPolarHBondContact CA-O 3.3Å; N183-R267 WeakPolarHBondContact O-CB 3.48Å; N183-S268 WeakPolarHBondContact OD1-CA 3.35Å
184	M	91.4	Very high	93.7	Very high	88 Å²	88	33.3 Å²	33.3	43%	0.433	18%	0.177	S	C	.	.	S	Bend	trans	-81.1	161.7	177.4	-61	-169	-64.8	0	0	112.2	L180 S182 L186 K271	L180-M184 HydrophobicContact CD1-CE 4.19Å; L180-M184 HydrophobicContact CD2-CB 4.05Å; L180-M184 VanDerWaalsContact CD2-O 3.32Å; L180-M184 WeakPolarHBondContact CD2-O 3.18Å; S182-M184 PolarHBondContact O-N 3.34Å; S182-M184 WeakPolarHBondContact OG-CB 3.22Å; S182-M184 PolarHBondContact OG-N 3.09Å; M184-L186 PolarHBondContact O-N 3.13Å; M184-K271 WeakPolarHBondContact O-CE 3.29Å
185	D	92.4	Very high	93.8	Very high	17 Å²	17	32 Å²	32	9%	0.091	17%	0.171	C	C	.	.			trans	-76.9	110.7	172.6	175.1	29.7	0	0	0	109.8	Y187 S188 S189 R262	D185-Y187 PolarHBondContact O-N 3.17Å; D185-Y187 VanDerWaalsContact O-N 3.08Å; D185-Y187 VanDerWaalsContact OD1-CD2 3.31Å; D185-Y187 WeakPolarHBondContact OD1-CD2 3.03Å; D185-Y187 PolarHBondContact OD1-N 3.04Å; D185-S188 PolarHBondContact O-N 2.97Å; D185-S188 WeakPolarHBondContact OD2-CB 3.35Å; D185-S188 PolarHBondContact OD2-N 3.04Å; D185-S188 VanDerWaalsContact OD2-N 3.16Å; D185-S188 PolarHBondContact OD2-OG 3.47Å; D185-S189 WeakPolarHBondContact O-CB 3.49Å; D185-S189 PolarHBondContact O-N 3.24Å; D185-S189 PolarHBondContact O-OG 3.42Å; D185-R262 IonicContact OD1-NE 2.75Å; D185-R262 PolarHBondContact OD1-NE 2.82Å; D185-R262 IonicContact OD2-CZ 3.76Å; D185-R262 VanDerWaalsContact OD2-CZ 3.26Å; D185-R262 IonicContact OD2-NE 2.67Å; D185-R262 PolarHBondContact OD2-NE 2.73Å; D185-R262 IonicContact OD2-NH2 2.67Å; D185-R262 PolarHBondContact OD2-NH2 2.85Å
186	L	94.6	Very high	93.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-46.2	-44.4	178.4	171	64.8	0	0	0	111.4	F178 L180 M184 L190 M191 K271 A273	F178-L186 HydrophobicContact CB-CD1 4.07Å; L180-L186 HydrophobicContact CB-CB 4.39Å; L180-L186 HydrophobicContact CB-CD1 3.7Å; L180-L186 HydrophobicContact CD2-CB 4.09Å; M184-L186 PolarHBondContact O-N 3.13Å; L186-L190 HydrophobicContact CD1-CB 4.41Å; L186-L190 HydrophobicContact CD1-CD2 3.99Å; L186-L190 WeakPolarHBondContact O-CB 3.47Å; L186-L190 PolarHBondContact O-N 2.82Å; L186-L190 VanDerWaalsContact O-N 3.14Å; L186-M191 HydrophobicContact CD1-CG 4.24Å; L186-M191 HydrophobicContact CD1-SD 4.49Å; L186-M191 HydrophobicContact CD2-SD 4.1Å; L186-M191 HydrophobicContact CG-CG 4.16Å; L186-M191 HydrophobicContact CG-SD 3.89Å; L186-M191 PolarHBondContact O-N 2.75Å; L186-M191 VanDerWaalsContact O-N 3.07Å; L186-K271 HydrophobicContact CB-CB 4.18Å; L186-K271 HydrophobicContact CB-CD 4.01Å; L186-K271 HydrophobicContact CD2-CB 3.8Å; L186-A273 HydrophobicContact CD2-CB 4.12Å
187	Y	96.3	Very high	94	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	19%	0.191	C	C	.	.	I	π-helix	trans	-71.7	-54	-170.6	-55.2	-74.5	0	0	0	111.9	D185 M191 T192 M201 V245 M247 S258 S260 R262	D185-Y187 PolarHBondContact O-N 3.17Å; D185-Y187 VanDerWaalsContact O-N 3.08Å; D185-Y187 VanDerWaalsContact OD1-CD2 3.31Å; D185-Y187 WeakPolarHBondContact OD1-CD2 3.03Å; D185-Y187 PolarHBondContact OD1-N 3.04Å; Y187-M191 HydrophobicContact CD1-CE 4.47Å; Y187-M191 HydrophobicContact CD1-SD 3.46Å; Y187-M191 WeakPolarHBondContact CD1-SD 3.48Å; Y187-M191 HydrophobicContact CE1-SD 3.83Å; Y187-M191 HydrophobicContact CG-SD 4.44Å; Y187-M191 PolarHBondContact O-N 2.89Å; Y187-T192 WeakPolarHBondContact O-CG2 3.32Å; Y187-T192 PolarHBondContact O-N 3.22Å; Y187-T192 PolarHBondContact O-OG1 3.35Å; Y187-M201 HydrophobicContact CD1-CE 3.51Å; Y187-M201 HydrophobicContact CD2-CE 3.92Å; Y187-M201 HydrophobicContact CE1-CE 3.15Å; Y187-M201 HydrophobicContact CE2-CE 3.6Å; Y187-M201 HydrophobicContact CG-CE 3.84Å; Y187-M201 WeakPolarHBondContact OH-CE 3.47Å; Y187-V245 WeakPolarHBondContact OH-CG1 3.49Å; Y187-M247 HydrophobicContact CD1-CE 3.46Å; Y187-M247 VanDerWaalsContact CD1-CE 3.46Å; Y187-M247 HydrophobicContact CD1-SD 3.52Å; Y187-M247 VanDerWaalsContact CD1-SD 3.52Å; Y187-M247 HydrophobicContact CE1-CE 4.04Å; Y187-M247 HydrophobicContact CE1-SD 3.68Å; Y187-M247 HydrophobicContact CG-CE 4.17Å; Y187-S258 WeakPolarHBondContact OH-CB 3.1Å; Y187-S258 PolarHBondContact OH-OG 2.79Å; Y187-S260 PolarHBondContact OH-O 2.92Å; Y187-R262 HydrophobicContact CD2-CB 3.75Å; Y187-R262 VanDerWaalsContact CD2-CD 3.5Å; Y187-R262 HydrophobicContact CD2-CG 3.55Å; Y187-R262 HydrophobicContact CE2-CB 3.61Å; Y187-R262 HydrophobicContact CE2-CG 3.94Å; Y187-R262 HydrophobicContact CG-CG 4.45Å
188	S	95.3	Very high	94.2	Very high	26 Å²	26	35.7 Å²	35.7	18%	0.182	19%	0.188	C	C	.	.	I	π-helix	trans	-80.4	-26.9	-177.3	-52.5	0	0	0	0	114.1	D185 T192 R262	D185-S188 PolarHBondContact O-N 2.97Å; D185-S188 WeakPolarHBondContact OD2-CB 3.35Å; D185-S188 PolarHBondContact OD2-N 3.04Å; D185-S188 VanDerWaalsContact OD2-N 3.16Å; D185-S188 PolarHBondContact OD2-OG 3.47Å; S188-T192 PolarHBondContact O-OG1 3.3Å; S188-R262 PolarHBondContact OG-NH2 3.17Å
189	S	94.2	Very high	94.4	Very high	47 Å²	47	35.6 Å²	35.6	33%	0.329	19%	0.187	S	C	.	.	I	π-helix	trans	-95.7	-16.4	-173.6	-60.8	0	0	0	0	113.4	D185	D185-S189 WeakPolarHBondContact O-CB 3.49Å; D185-S189 PolarHBondContact O-N 3.24Å; D185-S189 PolarHBondContact O-OG 3.42Å
190	L	95.8	Very high	94.7	Very high	22 Å²	22	35.8 Å²	35.8	12%	0.115	19%	0.188	C	C	.	.	I	π-helix	trans	-131	-58.6	179.5	-176.6	61.5	0	0	0	112.2	A160 F178 L186 I193 A194	A160-L190 HydrophobicContact CB-CD1 4.36Å; A160-L190 HydrophobicContact CB-CD2 4.19Å; F178-L190 HydrophobicContact CB-CD2 4.27Å; F178-L190 HydrophobicContact CD1-CD2 4.19Å; F178-L190 HydrophobicContact CD1-CG 4.04Å; L186-L190 HydrophobicContact CD1-CB 4.41Å; L186-L190 HydrophobicContact CD1-CD2 3.99Å; L186-L190 WeakPolarHBondContact O-CB 3.47Å; L186-L190 PolarHBondContact O-N 2.82Å; L186-L190 VanDerWaalsContact O-N 3.14Å; L190-I193 PolarHBondContact O-N 3.42Å; L190-A194 WeakPolarHBondContact O-CB 3.47Å; L190-A194 PolarHBondContact O-N 2.93Å
191	M	98	Very high	94.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.188	C	C	.	.	I	π-helix	trans	-66.1	-48.2	-169.4	-63.7	177.7	67.9	0	0	113.1	F178 L186 Y187 I193 A194 L195 L199 M247 C256 A273	F178-M191 HydrophobicContact CB-CG 4.1Å; F178-M191 HydrophobicContact CD1-CG 4Å; F178-M191 HydrophobicContact CD2-CE 4.19Å; F178-M191 HydrophobicContact CD2-CG 4.07Å; F178-M191 HydrophobicContact CG-CG 3.76Å; L186-M191 HydrophobicContact CD1-CG 4.24Å; L186-M191 HydrophobicContact CD1-SD 4.49Å; L186-M191 HydrophobicContact CD2-SD 4.1Å; L186-M191 HydrophobicContact CG-CG 4.16Å; L186-M191 HydrophobicContact CG-SD 3.89Å; L186-M191 PolarHBondContact O-N 2.75Å; L186-M191 VanDerWaalsContact O-N 3.07Å; Y187-M191 HydrophobicContact CD1-CE 4.47Å; Y187-M191 HydrophobicContact CD1-SD 3.46Å; Y187-M191 WeakPolarHBondContact CD1-SD 3.48Å; Y187-M191 HydrophobicContact CE1-SD 3.83Å; Y187-M191 HydrophobicContact CG-SD 4.44Å; Y187-M191 PolarHBondContact O-N 2.89Å; M191-I193 VanDerWaalsContact C-N 3.26Å; M191-I193 PolarHBondContact O-N 3.05Å; M191-A194 PolarHBondContact O-N 3.01Å; M191-L195 VanDerWaalsContact O-CB 3.26Å; M191-L195 WeakPolarHBondContact O-CB 3.43Å; M191-L195 VanDerWaalsContact O-CG 3.29Å; M191-L195 WeakPolarHBondContact O-CG 3.29Å; M191-L195 PolarHBondContact O-N 2.8Å; M191-L199 HydrophobicContact CB-CD1 3.64Å; M191-L199 HydrophobicContact CE-CD1 4.29Å; M191-M247 HydrophobicContact CE-SD 3.67Å; M191-M247 HydrophobicContact SD-SD 4.26Å; M191-C256 HydrophobicContact CE-CB 3.84Å; M191-A273 HydrophobicContact CE-CB 3.66Å; M191-A273 HydrophobicContact SD-CB 3.66Å
192	T	97.8	Very high	95.2	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	17%	0.172	C	C	.	.	H	α-helix	trans	-58.3	-40.1	179.6	52	0	0	0	0	112	Y187 S188 K196 S197 L199 K221 V222	Y187-T192 WeakPolarHBondContact O-CG2 3.32Å; Y187-T192 PolarHBondContact O-N 3.22Å; Y187-T192 PolarHBondContact O-OG1 3.35Å; S188-T192 PolarHBondContact O-OG1 3.3Å; T192-K196 WeakPolarHBondContact O-CA 3.12Å; T192-K196 PolarHBondContact O-N 3.26Å; T192-S197 WeakPolarHBondContact CA-O 3.21Å; T192-S197 WeakPolarHBondContact CB-O 3.46Å; T192-S197 PolarHBondContact O-N 3.41Å; T192-L199 HydrophobicContact CG2-CD1 3.94Å; T192-L199 HydrophobicContact CG2-CG 3.94Å; T192-K221 WeakPolarHBondContact CG2-O 3.47Å; T192-V222 HydrophobicContact CG2-CG2 3.68Å
193	I	96.8	Very high	95.3	Very high	102 Å²	102	31 Å²	31	52%	0.523	16%	0.164	S	C	.	.	H	α-helix	trans	-69	-51.3	179.9	-57.7	178.3	0	0	0	110.3	L190 M191 L195 K196	L190-I193 PolarHBondContact O-N 3.42Å; M191-I193 VanDerWaalsContact C-N 3.26Å; M191-I193 PolarHBondContact O-N 3.05Å; I193-L195 VanDerWaalsContact C-N 3.35Å; I193-L195 PolarHBondContact O-N 2.83Å; I193-K196 WeakPolarHBondContact O-CG 3.33Å; I193-K196 PolarHBondContact O-N 2.79Å; I193-K196 VanDerWaalsContact O-N 3.08Å
194	A	96.8	Very high	95	Very high	24 Å²	24	27.4 Å²	27.4	20%	0.198	14%	0.144	C	C	.	.	H	α-helix	trans	-67.3	-34.3	-177.2	0	0	0	0	0	113	R176 F178 L190 M191 K196	R176-A194 PolarHBondContact NH1-O 2.98Å; R176-A194 VanDerWaalsContact NH1-O 3.13Å; F178-A194 HydrophobicContact CE1-CB 3.57Å; F178-A194 HydrophobicContact CZ-CB 4.31Å; L190-A194 WeakPolarHBondContact O-CB 3.47Å; L190-A194 PolarHBondContact O-N 2.93Å; M191-A194 PolarHBondContact O-N 3.01Å; A194-K196 VanDerWaalsContact C-N 3.31Å
195	L	98	Very high	94	Very high	11 Å²	11	25.3 Å²	25.3	6%	0.058	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-8.1	174.3	-61.5	174.3	0	0	0	112.7	F178 M191 I193 S197 L199 W254	F178-L195 HydrophobicContact CE2-CD2 4.38Å; F178-L195 HydrophobicContact CZ-CD1 4.37Å; F178-L195 HydrophobicContact CZ-CD2 3.86Å; F178-L195 HydrophobicContact CZ-CG 3.94Å; M191-L195 VanDerWaalsContact O-CB 3.26Å; M191-L195 WeakPolarHBondContact O-CB 3.43Å; M191-L195 VanDerWaalsContact O-CG 3.29Å; M191-L195 WeakPolarHBondContact O-CG 3.29Å; M191-L195 PolarHBondContact O-N 2.8Å; I193-L195 VanDerWaalsContact C-N 3.35Å; I193-L195 PolarHBondContact O-N 2.83Å; L195-S197 PolarHBondContact O-N 2.87Å; L195-L199 HydrophobicContact CD1-CD1 4.43Å; L195-L199 HydrophobicContact CD1-CD2 3.82Å; L195-W254 HydrophobicContact CD2-CD2 3.8Å; L195-W254 HydrophobicContact CD2-CE3 4.38Å; L195-W254 HydrophobicContact CD2-CG 3.92Å; L195-W254 HydrophobicContact CD2-CZ2 4.35Å
196	K	97.6	Very high	93.2	Very high	167 Å²	167	25 Å²	25	73%	0.726	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.1	41.2	-174.7	-58.2	-179.4	-179.1	179.8	0	112	T192 I193 A194	T192-K196 WeakPolarHBondContact O-CA 3.12Å; T192-K196 PolarHBondContact O-N 3.26Å; I193-K196 WeakPolarHBondContact O-CG 3.33Å; I193-K196 PolarHBondContact O-N 2.79Å; I193-K196 VanDerWaalsContact O-N 3.08Å; A194-K196 VanDerWaalsContact C-N 3.31Å
197	S	98	Very high	92.2	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.007	16%	0.161	C	C	.	.	S	Bend	trans	-147.8	152.9	-170.3	-161.3	0	0	0	0	112.8	T192 L195 S249 S250 K251	T192-S197 WeakPolarHBondContact CA-O 3.21Å; T192-S197 WeakPolarHBondContact CB-O 3.46Å; T192-S197 PolarHBondContact O-N 3.41Å; L195-S197 PolarHBondContact O-N 2.87Å; S197-S249 WeakPolarHBondContact OG-CB 3.42Å; S197-S250 PolarHBondContact OG-N 2.77Å; S197-S250 PolarHBondContact OG-OG 3.18Å; S197-K251 PolarHBondContact OG-N 3.24Å; S197-K251 PolarHBondContact OG-O 3.07Å
198	T	97.2	Very high	91.4	Very high	13 Å²	13	30 Å²	30	8%	0.08	18%	0.176	C	C	.	.			trans	-77.5	136.3	166.2	-74.7	0	0	0	0	108.2	I200 K221 Q223 S249 S250	T198-I200 HydrophobicContact CG2-CD1 4.35Å; T198-K221 CarbonylContact C-O 3.55Å; T198-K221 VanDerWaalsContact CA-O 3.25Å; T198-K221 WeakPolarHBondContact CA-O 3.47Å; T198-K221 HydrophobicContact CG2-CG 3.84Å; T198-K221 WeakPolarHBondContact CG2-O 3.29Å; T198-K221 PolarHBondContact OG1-N 3.34Å; T198-Q223 HydrophobicContact CG2-CG 4.17Å; T198-S249 WeakPolarHBondContact O-CA 3.08Å; T198-S250 PolarHBondContact N-OG 2.94Å; T198-S250 PolarHBondContact O-N 2.93Å; T198-S250 PolarHBondContact O-OG 3.29Å
199	L	97.1	Very high	90.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	138.2	178.9	-55.8	175	0	0	0	109.6	M191 T192 L195 K221 V222 Q223 M247	M191-L199 HydrophobicContact CB-CD1 3.64Å; M191-L199 HydrophobicContact CE-CD1 4.29Å; T192-L199 HydrophobicContact CG2-CD1 3.94Å; T192-L199 HydrophobicContact CG2-CG 3.94Å; L195-L199 HydrophobicContact CD1-CD1 4.43Å; L195-L199 HydrophobicContact CD1-CD2 3.82Å; L199-K221 PolarHBondContact N-O 3.48Å; L199-V222 HydrophobicContact CB-CG2 4.48Å; L199-V222 CarbonylContact O-C 3.53Å; L199-V222 VanDerWaalsContact O-CA 3.29Å; L199-V222 WeakPolarHBondContact O-CA 3.33Å; L199-Q223 PolarHBondContact O-N 2.8Å; L199-M247 HydrophobicContact CB-CE 3.35Å; L199-M247 HydrophobicContact CB-SD 4.31Å; L199-M247 HydrophobicContact CD1-CE 3.53Å; L199-M247 HydrophobicContact CD1-SD 3.81Å; L199-M247 HydrophobicContact CG-CE 4.03Å
200	I	95.3	Very high	90.2	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.4	176.6	-57.2	83.1	0	0	0	106.6	T198 Q223 L225 M247 Y248 I292	T198-I200 HydrophobicContact CG2-CD1 4.35Å; I200-Q223 WeakPolarHBondContact CA-O 2.9Å; I200-Q223 HydrophobicContact CG1-CB 4.39Å; I200-L225 HydrophobicContact CG2-CD2 3.32Å; I200-L225 HydrophobicContact CG2-CG 3.89Å; I200-M247 CarbonylContact O-C 3.59Å; I200-M247 WeakPolarHBondContact O-CA 3.06Å; I200-M247 WeakPolarHBondContact O-CB 3.22Å; I200-Y248 HydrophobicContact CB-CD1 3.98Å; I200-Y248 HydrophobicContact CB-CE1 3.27Å; I200-Y248 HydrophobicContact CB-CE2 4.29Å; I200-Y248 HydrophobicContact CD1-CD2 4.34Å; I200-Y248 HydrophobicContact CD1-CE1 4.38Å; I200-Y248 HydrophobicContact CD1-CE2 3.83Å; I200-Y248 HydrophobicContact CG1-CE1 4.08Å; I200-Y248 HydrophobicContact CG1-CE2 4.27Å; I200-Y248 HydrophobicContact CG2-CD1 4.41Å; I200-Y248 HydrophobicContact CG2-CE1 3.41Å; I200-Y248 VanDerWaalsContact CG2-CE1 3.41Å; I200-Y248 PolarHBondContact N-O 2.92Å; I200-Y248 PolarHBondContact O-N 2.92Å; I200-I292 HydrophobicContact CG1-CD1 4.23Å; I200-I292 HydrophobicContact CG2-CD1 4.14Å; I200-I292 HydrophobicContact CG2-CG1 4.14Å
201	M	95.1	Very high	89.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.6	-161.9	171.5	-178.8	-100.2	0	0	112.5	Y187 N203 V222 Q223 Y224 L225 V245 W246 M247 R262	Y187-M201 HydrophobicContact CD1-CE 3.51Å; Y187-M201 HydrophobicContact CD2-CE 3.92Å; Y187-M201 HydrophobicContact CE1-CE 3.15Å; Y187-M201 HydrophobicContact CE2-CE 3.6Å; Y187-M201 HydrophobicContact CG-CE 3.84Å; Y187-M201 WeakPolarHBondContact OH-CE 3.47Å; M201-N203 HydrophobicContact CG-CB 4.06Å; M201-N203 HydrophobicContact SD-CB 4.04Å; M201-V222 HydrophobicContact CB-CG1 4.24Å; M201-V222 HydrophobicContact SD-CG1 4.4Å; M201-Q223 PolarHBondContact N-O 3.45Å; M201-Y224 HydrophobicContact CB-CD1 4.45Å; M201-Y224 HydrophobicContact SD-CD1 4.32Å; M201-Y224 HydrophobicContact SD-CE1 3.93Å; M201-L225 WeakPolarHBondContact O-CG 3.44Å; M201-L225 PolarHBondContact O-N 3.03Å; M201-V245 HydrophobicContact CE-CG1 3.79Å; M201-W246 WeakPolarHBondContact CA-O 3.17Å; M201-M247 HydrophobicContact CB-CE 3.97Å; M201-M247 HydrophobicContact CB-CG 4.43Å; M201-M247 HydrophobicContact CE-CE 3.56Å; M201-M247 HydrophobicContact CE-CG 4.21Å; M201-M247 HydrophobicContact CE-SD 4.07Å; M201-M247 HydrophobicContact CG-CE 4.43Å; M201-M247 HydrophobicContact SD-CE 4.44Å; M201-R262 HydrophobicContact CE-CB 3.9Å; M201-R262 HydrophobicContact SD-CB 3.5Å; M201-R262 VanDerWaalsContact SD-CB 3.5Å; M201-R262 HydrophobicContact SD-CG 4.38Å
202	W	94	Very high	89.6	Confident	6 Å²	6	37.6 Å²	37.6	2%	0.023	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	116.6	154.7	-174.9	-102.4	0	0	0	109.4	L225 F230 R239 D242 W246	W202-L225 HydrophobicContact CB-CD1 3.99Å; W202-L225 HydrophobicContact CE3-CB 4.2Å; W202-L225 HydrophobicContact CE3-CD1 4.1Å; W202-F230 HydrophobicContact CD2-CD1 4.35Å; W202-F230 HydrophobicContact CD2-CE1 4.04Å; W202-F230 AromaticContact CE2-CE1 3.66Å; W202-F230 HydrophobicContact CE3-CD1 4.19Å; W202-F230 HydrophobicContact CE3-CE1 4.34Å; W202-F230 AromaticContact CH2-CD1 3.6Å; W202-F230 HydrophobicContact CH2-CD1 3.6Å; W202-F230 AromaticContact CH2-CE1 3.97Å; W202-F230 HydrophobicContact CH2-CE1 3.97Å; W202-F230 AromaticContact CZ2-CD1 3.75Å; W202-F230 HydrophobicContact CZ2-CD1 3.75Å; W202-F230 AromaticContact CZ2-CE1 3.61Å; W202-F230 HydrophobicContact CZ2-CE1 3.61Å; W202-F230 AromaticContact CZ3-CD1 3.83Å; W202-F230 HydrophobicContact CZ3-CD1 3.83Å; W202-F230 HydrophobicContact CZ3-CE1 4.31Å; W202-R239 VanDerWaalsContact CE3-NH2 3.26Å; W202-R239 HydrophobicContact CH2-CB 3.64Å; W202-R239 HydrophobicContact CH2-CG 4.05Å; W202-R239 HydrophobicContact CZ2-CB 3.45Å; W202-R239 VanDerWaalsContact CZ2-CB 3.45Å; W202-R239 HydrophobicContact CZ2-CG 3.63Å; W202-D242 PolarHBondContact NE1-OD2 2.9Å; W202-W246 HydrophobicContact CB-CD2 3.53Å; W202-W246 HydrophobicContact CB-CE3 4.05Å; W202-W246 HydrophobicContact CB-CG 3.97Å; W202-W246 HydrophobicContact CB-CH2 4.17Å; W202-W246 HydrophobicContact CB-CZ2 3.62Å; W202-W246 HydrophobicContact CB-CZ3 4.35Å; W202-W246 AromaticContact CD1-CD1 3.83Å; W202-W246 AromaticContact CD1-NE1 3.42Å; W202-W246 HydrophobicContact CD2-CZ2 4.24Å; W202-W246 HydrophobicContact CE3-CZ2 4.38Å; W202-W246 HydrophobicContact CG-CD2 4.33Å; W202-W246 AromaticContact CG-CE2 3.64Å; W202-W246 AromaticContact CG-CZ2 3.94Å; W202-W246 HydrophobicContact CG-CZ2 3.94Å; W202-W246 AromaticContact CG-NE1 3.44Å; W202-W246 PolarHBondContact N-O 2.54Å; W202-W246 PolarHBondContact O-N 2.95Å
203	N	90.7	Very high	89.1	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.254	C	S	.	.			trans	-118.8	131.2	-176.9	-173.7	50.1	0	0	0	109.6	M201 A205 G206 Y224 R239 P261 R262	M201-N203 HydrophobicContact CG-CB 4.06Å; M201-N203 HydrophobicContact SD-CB 4.04Å; N203-A205 VanDerWaalsContact C-N 3.31Å; N203-A205 PolarHBondContact O-N 2.71Å; N203-G206 PolarHBondContact O-N 2.79Å; N203-Y224 HydrophobicContact CB-CD1 4.22Å; N203-Y224 HydrophobicContact CB-CE1 4.37Å; N203-R239 PolarHBondContact O-NH1 2.84Å; N203-P261 WeakPolarHBondContact OD1-CA 3.44Å; N203-P261 WeakPolarHBondContact OD1-CB 3.35Å; N203-R262 PolarHBondContact OD1-N 3.24Å
204	I	82.2	Confident	88.7	Confident	46 Å²	46	43.4 Å²	43.4	24%	0.236	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-49.3	-176	-56.1	169.8	0	0	0	111.4	G206 N243 S244 V245 P261	I204-G206 PolarHBondContact O-N 2.77Å; I204-N243 HydrophobicContact CD1-CB 4.28Å; I204-N243 WeakPolarHBondContact CD1-O 3.38Å; I204-S244 WeakPolarHBondContact CG1-O 3.17Å; I204-V245 HydrophobicContact CD1-CG2 3.69Å; I204-V245 HydrophobicContact CG1-CG2 3.72Å; I204-P261 HydrophobicContact CB-CB 4.48Å; I204-P261 HydrophobicContact CD1-CB 4.24Å; I204-P261 HydrophobicContact CD1-CG 4.39Å; I204-P261 HydrophobicContact CG1-CB 4.5Å
205	A	72.2	Confident	88.4	Confident	44 Å²	44	51 Å²	51	36%	0.364	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	7	-175.8	0	0	0	0	0	114.9	N203 L207 V211 Q263	N203-A205 VanDerWaalsContact C-N 3.31Å; N203-A205 PolarHBondContact O-N 2.71Å; A205-L207 PolarHBondContact O-N 2.9Å; A205-V211 HydrophobicContact CB-CG2 4.29Å; A205-Q263 HydrophobicContact CB-CG 4.42Å; A205-Q263 VanDerWaalsContact CB-NE2 3.25Å
206	G	74.5	Confident	87.9	Confident	11 Å²	11	52 Å²	52	11%	0.113	27%	0.268	C	S	.	.			trans	60.3	-125.6	-176.3	0	0	0	0	0	111.3	N203 I204 V211	N203-G206 PolarHBondContact O-N 2.79Å; I204-G206 PolarHBondContact O-N 2.77Å; G206-V211 WeakPolarHBondContact O-CG2 3.17Å
207	L	73.9	Confident	87.6	Confident	76 Å²	76	52.1 Å²	52.1	40%	0.398	28%	0.276	S	S	.	.	S	Bend	trans	-123.8	91.8	-177.4	-55.1	174.9	0	0	0	107.8	A205 Y224 E293	A205-L207 PolarHBondContact O-N 2.9Å; L207-Y224 HydrophobicContact CD2-CD2 3.94Å; L207-Y224 HydrophobicContact CD2-CG 3.86Å; L207-E293 HydrophobicContact CD1-CB 4.06Å; L207-E293 HydrophobicContact CD1-CG 3.52Å; L207-E293 WeakPolarHBondContact CD1-OE1 3.35Å; L207-E293 VanDerWaalsContact CD2-CD 3.43Å; L207-E293 HydrophobicContact CD2-CG 4.43Å; L207-E293 WeakPolarHBondContact CD2-OE2 3.5Å
208	G	78.7	Confident	87.3	Confident	30 Å²	30	53.6 Å²	53.6	31%	0.309	29%	0.289	S	S	.	.			trans	-131.7	171.6	-176.8	0	0	0	0	0	112.1	E210 V211	G208-E210 PolarHBondContact O-N 2.82Å; G208-V211 VanDerWaalsContact O-CB 3.26Å; G208-V211 WeakPolarHBondContact O-CB 3.38Å; G208-V211 PolarHBondContact O-N 3.45Å
209	P	79.8	Confident	87.1	Confident	138 Å²	138	60.7 Å²	60.7	90%	0.896	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-30	-179.7	24.7	-33.9	0	0	0	113	V211	P209-V211 PolarHBondContact O-N 2.8Å
210	E	85.9	Confident	87.1	Confident	97 Å²	97	63.2 Å²	63.2	45%	0.453	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-17.7	174.6	-79.3	-75.4	127.6	0	0	113.3	G208 Q263 V264 S265	G208-E210 PolarHBondContact O-N 2.82Å; E210-Q263 CarbonylContact O-C 3.42Å; E210-Q263 WeakPolarHBondContact O-CA 3.18Å; E210-V264 PolarHBondContact O-N 3.1Å; E210-S265 VanDerWaalsContact OE2-CB 3.29Å; E210-S265 WeakPolarHBondContact OE2-CB 3.46Å; E210-S265 PolarHBondContact OE2-OG 3.45Å
211	V	89.7	Confident	87.1	Confident	11 Å²	11	65.6 Å²	65.6	7%	0.067	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-75.7	136	-175.5	178.8	0	0	0	0	110	A205 G206 G208 P209 K213 Y224	A205-V211 HydrophobicContact CB-CG2 4.29Å; G206-V211 WeakPolarHBondContact O-CG2 3.17Å; G208-V211 VanDerWaalsContact O-CB 3.26Å; G208-V211 WeakPolarHBondContact O-CB 3.38Å; G208-V211 PolarHBondContact O-N 3.45Å; P209-V211 PolarHBondContact O-N 2.8Å; V211-K213 PolarHBondContact O-N 3.46Å; V211-K213 VanDerWaalsContact O-N 3.12Å; V211-Y224 HydrophobicContact CG1-CD1 4.47Å; V211-Y224 HydrophobicContact CG1-CD2 4.28Å; V211-Y224 HydrophobicContact CG1-CE1 3.74Å; V211-Y224 HydrophobicContact CG1-CE2 3.52Å; V211-Y224 WeakPolarHBondContact CG1-OH 3.26Å
212	V	91.1	Very high	87.1	Confident	8 Å²	8	65.7 Å²	65.7	5%	0.048	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-61.6	121	179.3	178.1	0	0	0	0	109.7	Y224 R262 V264	V212-Y224 WeakPolarHBondContact O-CE2 3.3Å; V212-Y224 PolarHBondContact O-OH 2.98Å; V212-R262 HydrophobicContact CB-CG 4.01Å; V212-R262 HydrophobicContact CG2-CG 4.03Å; V212-R262 PolarHBondContact N-O 2.7Å; V212-V264 HydrophobicContact CG2-CG2 4.25Å
213	K	87.7	Confident	87.1	Confident	188 Å²	188	67.7 Å²	67.7	82%	0.817	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-53.8	140	-178.5	-66.3	-174.4	179.5	-177.8	0	112.3	V211	V211-K213 PolarHBondContact O-N 3.46Å; V211-K213 VanDerWaalsContact O-N 3.12Å
214	K	86.6	Confident	87.2	Confident	36 Å²	36	67.9 Å²	67.9	16%	0.157	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-63.8	147.6	174.3	-64.9	-177	-168.4	169.7	0	111.1	Y224 E293 S294	K214-Y224 HydrophobicContact CD-CD2 4.45Å; K214-Y224 HydrophobicContact CG-CD2 3.98Å; K214-Y224 HydrophobicContact CG-CE2 3.97Å; K214-E293 WeakPolarHBondContact CE-OE2 3.36Å; K214-E293 VanDerWaalsContact NZ-C 3.27Å; K214-E293 PolarHBondContact NZ-O 2.76Å; K214-E293 IonicContact NZ-OE1 2.9Å; K214-E293 IonicContact NZ-OE2 2.81Å; K214-E293 PolarHBondContact NZ-OE2 2.91Å; K214-S294 PolarHBondContact NZ-O 2.71Å
215	R	91.4	Very high	87.5	Confident	184 Å²	184	66 Å²	66	69%	0.694	35%	0.345	S	S	*	.			trans	-110.3	82.6	167.5	-66.1	-175.1	178.9	-175.2	-1.3	108.7	N217 A218	R215-N217 VanDerWaalsContact C-N 3.28Å; R215-N217 PolarHBondContact O-N 3.28Å; R215-A218 HydrophobicContact CB-CB 3.96Å; R215-A218 WeakPolarHBondContact O-CB 3.39Å; R215-A218 PolarHBondContact O-N 3.39Å; R215-A218 VanDerWaalsContact O-N 3.11Å
216	C	87.5	Confident	88	Confident	32 Å²	32	67.1 Å²	67.1	22%	0.216	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-34.7	-169.5	-72.8	0	0	0	0	114.2	A218 K221 C295	C216-A218 VanDerWaalsContact C-N 3.34Å; C216-K221 PolarHBondContact O-NZ 3.49Å; C216-C295 VanDerWaalsContact CA-SG 3.59Å; C216-C295 HydrophobicContact CB-CB 3.7Å; C216-C295 WeakPolarHBondContact CB-SG 3.38Å; C216-C295 VanDerWaalsContact SG-CA 3.59Å; C216-C295 WeakPolarHBondContact SG-CB 3.45Å; C216-C295 CovalentContact SG-SG 2.02Å; C216-C295 PolarHBondContact SG-SG 3.11Å
217	N	90.8	Very high	88.6	Confident	169 Å²	169	67.9 Å²	67.9	90%	0.904	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	0.4	-179	-59.7	-23.2	0	0	0	113.5	R215	R215-N217 VanDerWaalsContact C-N 3.28Å; R215-N217 PolarHBondContact O-N 3.28Å
218	A	93	Very high	89.2	Confident	32 Å²	32	69.2 Å²	69.2	26%	0.264	37%	0.365	S	S	.	.			trans	-71.9	141.3	176.2	0	0	0	0	0	110.9	R215 C216 L220 K221	R215-A218 HydrophobicContact CB-CB 3.96Å; R215-A218 WeakPolarHBondContact O-CB 3.39Å; R215-A218 PolarHBondContact O-N 3.39Å; R215-A218 VanDerWaalsContact O-N 3.11Å; C216-A218 VanDerWaalsContact C-N 3.34Å; A218-L220 WeakPolarHBondContact CB-O 3.36Å; A218-K221 HydrophobicContact CB-CB 4.27Å; A218-K221 WeakPolarHBondContact O-CD 2.89Å; A218-K221 WeakPolarHBondContact O-CE 3.43Å; A218-K221 PolarHBondContact O-NZ 2.93Å
219	H	92.7	Very high	89.8	Confident	163 Å²	163	70.5 Å²	70.5	76%	0.755	36%	0.363	S	S	*	.	S	Bend	trans	-63.3	-46.5	176.4	-177.2	68.8	0	0	0	111.5
220	L	96.3	Very high	90.3	Very high	52 Å²	52	64 Å²	64	27%	0.272	32%	0.32	S	S	.	.	S	Bend	trans	-110.3	124.8	171	-55.4	177.8	0	0	0	108.3	A218	A218-L220 WeakPolarHBondContact CB-O 3.36Å
221	K	95.7	Very high	90.5	Very high	54 Å²	54	63.9 Å²	63.9	24%	0.235	32%	0.32	C	S	.	.			trans	-143.8	170.6	-173.3	54.6	-165.2	154.3	-141	0	111.6	T192 T198 L199 C216 A218 Q223	T192-K221 WeakPolarHBondContact CG2-O 3.47Å; T198-K221 CarbonylContact C-O 3.55Å; T198-K221 VanDerWaalsContact CA-O 3.25Å; T198-K221 WeakPolarHBondContact CA-O 3.47Å; T198-K221 HydrophobicContact CG2-CG 3.84Å; T198-K221 WeakPolarHBondContact CG2-O 3.29Å; T198-K221 PolarHBondContact OG1-N 3.34Å; L199-K221 PolarHBondContact N-O 3.48Å; C216-K221 PolarHBondContact O-NZ 3.49Å; A218-K221 HydrophobicContact CB-CB 4.27Å; A218-K221 WeakPolarHBondContact O-CD 2.89Å; A218-K221 WeakPolarHBondContact O-CE 3.43Å; A218-K221 PolarHBondContact O-NZ 2.93Å; K221-Q223 HydrophobicContact CG-CG 4.36Å
222	V	95.3	Very high	90.5	Very high	3 Å²	3	63.4 Å²	63.4	2%	0.018	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	120.7	172.3	179.9	0	0	0	0	107	T192 L199 M201 M247 R262	T192-V222 HydrophobicContact CG2-CG2 3.68Å; L199-V222 HydrophobicContact CB-CG2 4.48Å; L199-V222 CarbonylContact O-C 3.53Å; L199-V222 VanDerWaalsContact O-CA 3.29Å; L199-V222 WeakPolarHBondContact O-CA 3.33Å; M201-V222 HydrophobicContact CB-CG1 4.24Å; M201-V222 HydrophobicContact SD-CG1 4.4Å; V222-M247 HydrophobicContact CG1-CE 4.05Å; V222-R262 VanDerWaalsContact CB-NH1 3.27Å; V222-R262 VanDerWaalsContact CG1-NH1 3.34Å
223	Q	93.3	Very high	90.4	Very high	47 Å²	47	66.1 Å²	66.1	22%	0.22	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	154.7	177	-61.4	-173.6	81.3	0	0	109.3	T198 L199 I200 M201 K221 I292	T198-Q223 HydrophobicContact CG2-CG 4.17Å; L199-Q223 PolarHBondContact O-N 2.8Å; I200-Q223 WeakPolarHBondContact CA-O 2.9Å; I200-Q223 HydrophobicContact CG1-CB 4.39Å; M201-Q223 PolarHBondContact N-O 3.45Å; K221-Q223 HydrophobicContact CG-CG 4.36Å; Q223-I292 HydrophobicContact CB-CG2 4.06Å
224	Y	92.1	Very high	90.4	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.016	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	141.7	179.5	-61.3	-65.7	0	0	0	110.6	M201 N203 L207 V211 V212 K214 R262 E293	M201-Y224 HydrophobicContact CB-CD1 4.45Å; M201-Y224 HydrophobicContact SD-CD1 4.32Å; M201-Y224 HydrophobicContact SD-CE1 3.93Å; N203-Y224 HydrophobicContact CB-CD1 4.22Å; N203-Y224 HydrophobicContact CB-CE1 4.37Å; L207-Y224 HydrophobicContact CD2-CD2 3.94Å; L207-Y224 HydrophobicContact CD2-CG 3.86Å; V211-Y224 HydrophobicContact CG1-CD1 4.47Å; V211-Y224 HydrophobicContact CG1-CD2 4.28Å; V211-Y224 HydrophobicContact CG1-CE1 3.74Å; V211-Y224 HydrophobicContact CG1-CE2 3.52Å; V211-Y224 WeakPolarHBondContact CG1-OH 3.26Å; V212-Y224 WeakPolarHBondContact O-CE2 3.3Å; V212-Y224 PolarHBondContact O-OH 2.98Å; K214-Y224 HydrophobicContact CD-CD2 4.45Å; K214-Y224 HydrophobicContact CG-CD2 3.98Å; K214-Y224 HydrophobicContact CG-CE2 3.97Å; Y224-R262 HydrophobicContact CE1-CB 4.4Å; Y224-R262 VanDerWaalsContact CZ-NH1 3.29Å; Y224-R262 WeakPolarHBondContact OH-CD 3.14Å; Y224-R262 PolarHBondContact OH-NH1 2.63Å; Y224-E293 WeakPolarHBondContact O-CB 3.38Å; Y224-E293 PolarHBondContact O-N 2.74Å
225	L	89.8	Confident	90.4	Very high	6 Å²	6	62.4 Å²	62.4	3%	0.031	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-70.9	131.3	167.7	-66	179.6	0	0	0	110.1	I200 M201 W202 R239 W246 Y248 I289 I292	I200-L225 HydrophobicContact CG2-CD2 3.32Å; I200-L225 HydrophobicContact CG2-CG 3.89Å; M201-L225 WeakPolarHBondContact O-CG 3.44Å; M201-L225 PolarHBondContact O-N 3.03Å; W202-L225 HydrophobicContact CB-CD1 3.99Å; W202-L225 HydrophobicContact CE3-CB 4.2Å; W202-L225 HydrophobicContact CE3-CD1 4.1Å; L225-R239 PolarHBondContact O-NH2 3.04Å; L225-W246 HydrophobicContact CD1-CH2 3.37Å; L225-W246 HydrophobicContact CD1-CZ2 4.05Å; L225-W246 HydrophobicContact CD1-CZ3 3.7Å; L225-Y248 HydrophobicContact CD2-CE1 4.46Å; L225-I289 HydrophobicContact CD1-CD1 4.19Å; L225-I289 HydrophobicContact CD1-CG1 3.82Å; L225-I289 HydrophobicContact CD2-CB 4.12Å; L225-I289 HydrophobicContact CD2-CD1 3.65Å; L225-I289 HydrophobicContact CD2-CG1 3.55Å; L225-I289 HydrophobicContact CD2-CG2 3.49Å; L225-I289 VanDerWaalsContact CD2-CG2 3.49Å; L225-I289 HydrophobicContact CG-CG1 4.34Å; L225-I292 HydrophobicContact CD2-CG1 4.26Å
226	N	83.1	Confident	90.3	Very high	68 Å²	68	58.5 Å²	58.5	36%	0.364	32%	0.317	S	S	.	.			trans	-98.1	112.3	172.6	-171.4	1.1	0	0	0	108.7	K291 E293	N226-K291 HydrophobicContact CB-CB 4.29Å; N226-K291 HydrophobicContact CB-CG 4.31Å; N226-K291 PolarHBondContact N-O 2.95Å; N226-E293 HydrophobicContact CB-CB 3.95Å
227	G	85.5	Confident	90.4	Very high	28 Å²	28	57.3 Å²	57.3	29%	0.289	31%	0.309	S	S	.	.			trans	169	144.6	179.8	0	0	0	0	0	111.4	R239	G227-R239 PolarHBondContact O-NE 3.06Å; G227-R239 PolarHBondContact O-NH2 2.94Å
228	T	88.3	Confident	90.4	Very high	104 Å²	104	52.4 Å²	52.4	64%	0.638	28%	0.281	S	S	*	.	S	Bend	trans	-86	-13.5	175.8	51.6	0	0	0	0	112.4	R239	T228-R239 WeakPolarHBondContact O-CB 3.45Å; T228-R239 PolarHBondContact O-N 2.6Å
229	E	90.1	Very high	90.2	Very high	56 Å²	56	52 Å²	52	26%	0.262	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	164.8	-174.9	64.5	-161.5	-130.8	0	0	112.3	K236 I237	E229-K236 HydrophobicContact CB-CG 4.37Å; E229-K236 VanDerWaalsContact OE1-CE 3.23Å; E229-K236 WeakPolarHBondContact OE1-CE 3.48Å; E229-K236 IonicContact OE1-NZ 2.82Å; E229-K236 PolarHBondContact OE1-NZ 3.3Å; E229-K236 WeakPolarHBondContact OE2-CE 2.92Å; E229-K236 IonicContact OE2-NZ 2.71Å; E229-K236 PolarHBondContact OE2-NZ 3.47Å; E229-I237 CarbonylContact C-O 3.38Å; E229-I237 WeakPolarHBondContact CA-O 3.46Å; E229-I237 VanDerWaalsContact CB-O 3.25Å; E229-I237 WeakPolarHBondContact CB-O 3.46Å
230	F	91.1	Very high	90	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.009	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	176.6	165	64.5	-83.9	0	0	0	109.7	Y53 W202 V232 I237 W246 F288	Y53-F230 HydrophobicContact CE1-CZ 4.11Å; Y53-F230 HydrophobicContact CE2-CE2 4.2Å; Y53-F230 AromaticContact CE2-CZ 3.78Å; Y53-F230 HydrophobicContact CE2-CZ 3.78Å; Y53-F230 AromaticContact CZ-CZ 3.45Å; Y53-F230 VanDerWaalsContact CZ-CZ 3.45Å; Y53-F230 VanDerWaalsContact OH-CZ 3.22Å; Y53-F230 WeakPolarHBondContact OH-CZ 3.32Å; W202-F230 HydrophobicContact CD2-CD1 4.35Å; W202-F230 HydrophobicContact CD2-CE1 4.04Å; W202-F230 AromaticContact CE2-CE1 3.66Å; W202-F230 HydrophobicContact CE3-CD1 4.19Å; W202-F230 HydrophobicContact CE3-CE1 4.34Å; W202-F230 AromaticContact CH2-CD1 3.6Å; W202-F230 HydrophobicContact CH2-CD1 3.6Å; W202-F230 AromaticContact CH2-CE1 3.97Å; W202-F230 HydrophobicContact CH2-CE1 3.97Å; W202-F230 AromaticContact CZ2-CD1 3.75Å; W202-F230 HydrophobicContact CZ2-CD1 3.75Å; W202-F230 AromaticContact CZ2-CE1 3.61Å; W202-F230 HydrophobicContact CZ2-CE1 3.61Å; W202-F230 AromaticContact CZ3-CD1 3.83Å; W202-F230 HydrophobicContact CZ3-CD1 3.83Å; W202-F230 HydrophobicContact CZ3-CE1 4.31Å; F230-V232 HydrophobicContact CD2-CG2 3.86Å; F230-V232 HydrophobicContact CE2-CG2 3.44Å; F230-V232 VanDerWaalsContact CE2-CG2 3.44Å; F230-I237 HydrophobicContact CD1-CB 4.18Å; F230-I237 HydrophobicContact CD1-CG2 4.36Å; F230-I237 HydrophobicContact CD2-CB 4.41Å; F230-I237 HydrophobicContact CD2-CG1 4.45Å; F230-I237 HydrophobicContact CE1-CB 3.95Å; F230-I237 HydrophobicContact CE1-CG2 3.72Å; F230-I237 HydrophobicContact CE2-CB 4.2Å; F230-I237 HydrophobicContact CE2-CG1 4.08Å; F230-I237 HydrophobicContact CG-CB 4.43Å; F230-I237 HydrophobicContact CZ-CB 3.99Å; F230-I237 HydrophobicContact CZ-CG1 4.22Å; F230-I237 HydrophobicContact CZ-CG2 3.85Å; F230-I237 PolarHBondContact N-O 3.36Å; F230-I237 PolarHBondContact O-N 2.8Å; F230-W246 HydrophobicContact CD1-CZ2 4.49Å; F230-W246 HydrophobicContact CE1-CZ2 4.15Å; F230-W246 HydrophobicContact CE2-CZ2 4.4Å; F230-W246 HydrophobicContact CZ-CZ2 4.06Å; F230-W246 AromaticContact CZ-NE1 3.69Å; F230-F288 HydrophobicContact CB-CB 4.08Å; F230-F288 VanDerWaalsContact CB-O 3.29Å; F230-F288 WeakPolarHBondContact CB-O 3.42Å; F230-F288 HydrophobicContact CD2-CB 3.77Å; F230-F288 HydrophobicContact CD2-CD1 4.26Å; F230-F288 AromaticContact CD2-CD2 3.88Å; F230-F288 HydrophobicContact CD2-CD2 3.88Å; F230-F288 AromaticContact CD2-CG 3.72Å; F230-F288 HydrophobicContact CD2-CG 3.72Å; F230-F288 HydrophobicContact CE2-CB 4.46Å; F230-F288 AromaticContact CE2-CD2 3.78Å; F230-F288 HydrophobicContact CE2-CD2 3.78Å; F230-F288 HydrophobicContact CE2-CE2 4.21Å; F230-F288 HydrophobicContact CE2-CG 4.12Å; F230-F288 HydrophobicContact CG-CB 4.15Å
231	E	89.6	Confident	89.7	Confident	95 Å²	95	52.1 Å²	52.1	44%	0.444	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137.4	-179.4	-73.4	170.3	-155.6	0	0	111.2	Q235 K236 F288	E231-Q235 VanDerWaalsContact CA-O 3.3Å; E231-Q235 WeakPolarHBondContact CA-O 2.98Å; E231-K236 HydrophobicContact CG-CB 4.45Å; E231-F288 WeakPolarHBondContact O-CD1 3.48Å; E231-F288 WeakPolarHBondContact O-CE1 3.25Å
232	V	90.7	Very high	89.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	118	169.5	-170.9	0	0	0	0	107	Y53 Q62 W72 F230 S234 Q235 I237 F288	Y53-V232 HydrophobicContact CD1-CG2 4.34Å; Y53-V232 HydrophobicContact CD2-CG2 4.5Å; Y53-V232 HydrophobicContact CG-CG2 4.18Å; Q62-V232 HydrophobicContact CB-CG1 3.79Å; Q62-V232 HydrophobicContact CG-CB 4.3Å; Q62-V232 HydrophobicContact CG-CG1 3.86Å; W72-V232 HydrophobicContact CB-CG1 4.4Å; W72-V232 HydrophobicContact CD2-CG1 3.56Å; W72-V232 HydrophobicContact CE3-CG1 3.79Å; W72-V232 HydrophobicContact CG-CG1 3.85Å; W72-V232 HydrophobicContact CZ2-CG1 4.39Å; W72-V232 HydrophobicContact CZ3-CG1 4.27Å; F230-V232 HydrophobicContact CD2-CG2 3.86Å; F230-V232 HydrophobicContact CE2-CG2 3.44Å; F230-V232 VanDerWaalsContact CE2-CG2 3.44Å; V232-S234 VanDerWaalsContact C-N 3.33Å; V232-S234 PolarHBondContact O-N 3.29Å; V232-Q235 PolarHBondContact N-O 3.38Å; V232-Q235 WeakPolarHBondContact O-CA 3.42Å; V232-Q235 WeakPolarHBondContact O-CB 3.24Å; V232-Q235 PolarHBondContact O-N 2.94Å; V232-I237 HydrophobicContact CG2-CG1 4.13Å; V232-F288 HydrophobicContact CB-CE1 4.43Å; V232-F288 HydrophobicContact CB-CZ 4.31Å; V232-F288 HydrophobicContact CG1-CE1 4.4Å; V232-F288 HydrophobicContact CG1-CZ 4.01Å; V232-F288 HydrophobicContact CG2-CE1 3.99Å; V232-F288 HydrophobicContact CG2-CE2 4.02Å; V232-F288 HydrophobicContact CG2-CZ 3.7Å
233	N	88.7	Confident	89	Confident	66 Å²	66	56.1 Å²	56.1	35%	0.353	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	48	-177.3	-163.7	33.9	0	0	0	113.6	Q62 W72 D74 Q235	Q62-N233 HydrophobicContact CG-CB 3.81Å; W72-N233 HydrophobicContact CB-CB 3.89Å; D74-N233 PolarHBondContact OD1-ND2 2.73Å; N233-Q235 PolarHBondContact O-N 3Å
234	S	86.3	Confident	88.9	Confident	109 Å²	109	55.3 Å²	55.3	76%	0.762	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	4.4	-175	-42.5	0	0	0	0	115.5	V232	V232-S234 VanDerWaalsContact C-N 3.33Å; V232-S234 PolarHBondContact O-N 3.29Å
235	Q	87.7	Confident	88.9	Confident	36 Å²	36	55.3 Å²	55.3	17%	0.168	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	121.5	171.2	-59.5	-159.5	17.9	0	0	110	Q62 D74 E231 V232 N233	Q62-Q235 VanDerWaalsContact NE2-NE2 3.14Å; D74-Q235 PolarHBondContact OD1-NE2 3.03Å; E231-Q235 VanDerWaalsContact CA-O 3.3Å; E231-Q235 WeakPolarHBondContact CA-O 2.98Å; V232-Q235 PolarHBondContact N-O 3.38Å; V232-Q235 WeakPolarHBondContact O-CA 3.42Å; V232-Q235 WeakPolarHBondContact O-CB 3.24Å; V232-Q235 PolarHBondContact O-N 2.94Å; N233-Q235 PolarHBondContact O-N 3Å
236	K	89.3	Confident	89.2	Confident	103 Å²	103	55.1 Å²	55.1	45%	0.448	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	126.8	178.8	176.9	168.8	160.8	154.9	0	111	E229 E231	E229-K236 HydrophobicContact CB-CG 4.37Å; E229-K236 VanDerWaalsContact OE1-CE 3.23Å; E229-K236 WeakPolarHBondContact OE1-CE 3.48Å; E229-K236 IonicContact OE1-NZ 2.82Å; E229-K236 PolarHBondContact OE1-NZ 3.3Å; E229-K236 WeakPolarHBondContact OE2-CE 2.92Å; E229-K236 IonicContact OE2-NZ 2.71Å; E229-K236 PolarHBondContact OE2-NZ 3.47Å; E231-K236 HydrophobicContact CG-CB 4.45Å
237	I	89.8	Confident	89.9	Confident	7 Å²	7	51.9 Å²	51.9	4%	0.036	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	112.7	175.3	-53.2	-57.5	0	0	0	108.2	Y53 P55 E229 F230 V232 D242	Y53-I237 HydrophobicContact CD1-CD1 4Å; Y53-I237 HydrophobicContact CD1-CG1 4.18Å; Y53-I237 HydrophobicContact CE1-CB 4.44Å; Y53-I237 HydrophobicContact CE1-CD1 3.88Å; Y53-I237 HydrophobicContact CE1-CG1 3.83Å; Y53-I237 HydrophobicContact CE1-CG2 3.82Å; P55-I237 HydrophobicContact CB-CD1 3.78Å; E229-I237 CarbonylContact C-O 3.38Å; E229-I237 WeakPolarHBondContact CA-O 3.46Å; E229-I237 VanDerWaalsContact CB-O 3.25Å; E229-I237 WeakPolarHBondContact CB-O 3.46Å; F230-I237 HydrophobicContact CD1-CB 4.18Å; F230-I237 HydrophobicContact CD1-CG2 4.36Å; F230-I237 HydrophobicContact CD2-CB 4.41Å; F230-I237 HydrophobicContact CD2-CG1 4.45Å; F230-I237 HydrophobicContact CE1-CB 3.95Å; F230-I237 HydrophobicContact CE1-CG2 3.72Å; F230-I237 HydrophobicContact CE2-CB 4.2Å; F230-I237 HydrophobicContact CE2-CG1 4.08Å; F230-I237 HydrophobicContact CG-CB 4.43Å; F230-I237 HydrophobicContact CZ-CB 3.99Å; F230-I237 HydrophobicContact CZ-CG1 4.22Å; F230-I237 HydrophobicContact CZ-CG2 3.85Å; F230-I237 PolarHBondContact N-O 3.36Å; F230-I237 PolarHBondContact O-N 2.8Å; V232-I237 HydrophobicContact CG2-CG1 4.13Å; I237-D242 HydrophobicContact CG2-CB 3.79Å
238	E	89.4	Confident	90.4	Very high	66 Å²	66	51.3 Å²	51.3	31%	0.308	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	131.4	176.7	-67.8	173.5	-167.4	0	0	110.6	S240 K241 D242	E238-S240 VanDerWaalsContact C-N 3.26Å; E238-S240 PolarHBondContact O-N 2.9Å; E238-K241 HydrophobicContact CB-CD 4.4Å; E238-K241 CarbonylContact O-C 3.58Å; E238-K241 PolarHBondContact O-N 2.99Å; E238-K241 IonicContact OE1-NZ 2.7Å; E238-K241 WeakPolarHBondContact OE2-CD 3.45Å; E238-K241 WeakPolarHBondContact OE2-CE 3.17Å; E238-K241 IonicContact OE2-NZ 2.58Å; E238-K241 PolarHBondContact OE2-NZ 2.91Å; E238-D242 WeakPolarHBondContact O-CB 3.44Å; E238-D242 PolarHBondContact O-N 2.62Å; E238-D242 VanDerWaalsContact O-N 3.08Å
239	R	89.8	Confident	90.9	Very high	22 Å²	22	46.3 Å²	46.3	8%	0.083	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-57.4	-38.8	179	-171.2	178.4	-66.4	-127.2	13	113	W202 N203 L225 G227 T228 K241 D242	W202-R239 VanDerWaalsContact CE3-NH2 3.26Å; W202-R239 HydrophobicContact CH2-CB 3.64Å; W202-R239 HydrophobicContact CH2-CG 4.05Å; W202-R239 HydrophobicContact CZ2-CB 3.45Å; W202-R239 VanDerWaalsContact CZ2-CB 3.45Å; W202-R239 HydrophobicContact CZ2-CG 3.63Å; N203-R239 PolarHBondContact O-NH1 2.84Å; L225-R239 PolarHBondContact O-NH2 3.04Å; G227-R239 PolarHBondContact O-NE 3.06Å; G227-R239 PolarHBondContact O-NH2 2.94Å; T228-R239 WeakPolarHBondContact O-CB 3.45Å; T228-R239 PolarHBondContact O-N 2.6Å; R239-K241 PolarHBondContact O-N 2.92Å; R239-K241 VanDerWaalsContact O-N 3.1Å; R239-D242 PolarHBondContact O-N 2.83Å
240	S	88.2	Confident	91.2	Very high	103 Å²	103	46.4 Å²	46.4	72%	0.72	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-62.6	-16	178.8	53	0	0	0	0	113.5	E238	E238-S240 VanDerWaalsContact C-N 3.26Å; E238-S240 PolarHBondContact O-N 2.9Å
241	K	89.1	Confident	91.4	Very high	115 Å²	115	53 Å²	53	50%	0.5	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-120.9	4.2	-178.4	-59.1	173.5	178.9	155.1	0	113.1	T56 E238 R239	T56-K241 HydrophobicContact CG2-CB 3.39Å; T56-K241 HydrophobicContact CG2-CD 3.72Å; T56-K241 HydrophobicContact CG2-CG 4.05Å; E238-K241 HydrophobicContact CB-CD 4.4Å; E238-K241 CarbonylContact O-C 3.58Å; E238-K241 PolarHBondContact O-N 2.99Å; E238-K241 IonicContact OE1-NZ 2.7Å; E238-K241 WeakPolarHBondContact OE2-CD 3.45Å; E238-K241 WeakPolarHBondContact OE2-CE 3.17Å; E238-K241 IonicContact OE2-NZ 2.58Å; E238-K241 PolarHBondContact OE2-NZ 2.91Å; R239-K241 PolarHBondContact O-N 2.92Å; R239-K241 VanDerWaalsContact O-N 3.1Å
242	D	88.7	Confident	91.8	Very high	13 Å²	13	50.3 Å²	50.3	7%	0.07	28%	0.279	C	S	.	.			trans	-111	121	-179.6	175.3	40.8	0	0	0	111	Y53 W202 I237 E238 R239 S244	Y53-D242 PolarHBondContact OH-OD1 3.4Å; Y53-D242 VanDerWaalsContact OH-OD1 3.11Å; Y53-D242 PolarHBondContact OH-OD2 3.03Å; W202-D242 PolarHBondContact NE1-OD2 2.9Å; I237-D242 HydrophobicContact CG2-CB 3.79Å; E238-D242 WeakPolarHBondContact O-CB 3.44Å; E238-D242 PolarHBondContact O-N 2.62Å; E238-D242 VanDerWaalsContact O-N 3.08Å; R239-D242 PolarHBondContact O-N 2.83Å; D242-S244 VanDerWaalsContact CG-OG 3.25Å; D242-S244 VanDerWaalsContact OD1-CB 3.24Å; D242-S244 WeakPolarHBondContact OD1-CB 3.22Å; D242-S244 PolarHBondContact OD1-N 2.97Å; D242-S244 PolarHBondContact OD1-OG 3.23Å; D242-S244 VanDerWaalsContact OD1-OG 3.13Å; D242-S244 PolarHBondContact OD2-OG 2.95Å
243	N	88.1	Confident	92.1	Very high	129 Å²	129	54.1 Å²	54.1	69%	0.69	30%	0.295	S	S	*	.			trans	-100.3	11.5	178.1	-66.5	-27	0	0	0	112.3	I204	I204-N243 HydrophobicContact CD1-CB 4.28Å; I204-N243 WeakPolarHBondContact CD1-O 3.38Å
244	S	91.2	Very high	92.6	Very high	29 Å²	29	51.3 Å²	51.3	20%	0.203	28%	0.28	C	S	.	.			trans	-74	145.1	175.4	80.8	0	0	0	0	111.4	Y53 I204 D242 W246	Y53-S244 PolarHBondContact OH-OG 3.45Å; I204-S244 WeakPolarHBondContact CG1-O 3.17Å; D242-S244 VanDerWaalsContact CG-OG 3.25Å; D242-S244 VanDerWaalsContact OD1-CB 3.24Å; D242-S244 WeakPolarHBondContact OD1-CB 3.22Å; D242-S244 PolarHBondContact OD1-N 2.97Å; D242-S244 PolarHBondContact OD1-OG 3.23Å; D242-S244 VanDerWaalsContact OD1-OG 3.13Å; D242-S244 PolarHBondContact OD2-OG 2.95Å; S244-W246 VanDerWaalsContact OG-CD1 3.25Å
245	V	93.5	Very high	93.1	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.03	24%	0.243	C	C	.	.			trans	-121.9	109.1	168	-176.4	0	0	0	0	106.9	Y187 M201 I204 F257 S258 P261	Y187-V245 WeakPolarHBondContact OH-CG1 3.49Å; M201-V245 HydrophobicContact CE-CG1 3.79Å; I204-V245 HydrophobicContact CD1-CG2 3.69Å; I204-V245 HydrophobicContact CG1-CG2 3.72Å; V245-F257 CarbonylContact O-C 3.53Å; V245-F257 WeakPolarHBondContact O-CA 3.26Å; V245-S258 PolarHBondContact O-N 2.03Å; V245-P261 HydrophobicContact CG2-CB 4.15Å
246	W	95.7	Very high	93.7	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	161.4	178.4	60.7	-99.4	0	0	0	111.7	M201 W202 L225 F230 S244 Y248 C256 F257 F285 F288 I289	M201-W246 WeakPolarHBondContact CA-O 3.17Å; W202-W246 HydrophobicContact CB-CD2 3.53Å; W202-W246 HydrophobicContact CB-CE3 4.05Å; W202-W246 HydrophobicContact CB-CG 3.97Å; W202-W246 HydrophobicContact CB-CH2 4.17Å; W202-W246 HydrophobicContact CB-CZ2 3.62Å; W202-W246 HydrophobicContact CB-CZ3 4.35Å; W202-W246 AromaticContact CD1-CD1 3.83Å; W202-W246 AromaticContact CD1-NE1 3.42Å; W202-W246 HydrophobicContact CD2-CZ2 4.24Å; W202-W246 HydrophobicContact CE3-CZ2 4.38Å; W202-W246 HydrophobicContact CG-CD2 4.33Å; W202-W246 AromaticContact CG-CE2 3.64Å; W202-W246 AromaticContact CG-CZ2 3.94Å; W202-W246 HydrophobicContact CG-CZ2 3.94Å; W202-W246 AromaticContact CG-NE1 3.44Å; W202-W246 PolarHBondContact N-O 2.54Å; W202-W246 PolarHBondContact O-N 2.95Å; L225-W246 HydrophobicContact CD1-CH2 3.37Å; L225-W246 HydrophobicContact CD1-CZ2 4.05Å; L225-W246 HydrophobicContact CD1-CZ3 3.7Å; F230-W246 HydrophobicContact CD1-CZ2 4.49Å; F230-W246 HydrophobicContact CE1-CZ2 4.15Å; F230-W246 HydrophobicContact CE2-CZ2 4.4Å; F230-W246 HydrophobicContact CZ-CZ2 4.06Å; F230-W246 AromaticContact CZ-NE1 3.69Å; S244-W246 VanDerWaalsContact OG-CD1 3.25Å; W246-Y248 HydrophobicContact CZ3-CD1 4.29Å; W246-C256 CarbonylContact C-O 3.45Å; W246-C256 WeakPolarHBondContact CA-O 3.17Å; W246-C256 WeakPolarHBondContact CB-O 3.3Å; W246-F257 HydrophobicContact CB-CD1 3.75Å; W246-F257 HydrophobicContact CB-CE1 3.92Å; W246-F285 HydrophobicContact CB-CD1 4.49Å; W246-F285 HydrophobicContact CB-CE1 4.13Å; W246-F285 AromaticContact CD2-CD1 3.63Å; W246-F285 HydrophobicContact CD2-CD1 3.63Å; W246-F285 AromaticContact CD2-CE1 3.84Å; W246-F285 HydrophobicContact CD2-CE1 3.84Å; W246-F285 AromaticContact CE3-CD1 3.49Å; W246-F285 HydrophobicContact CE3-CD1 3.49Å; W246-F285 VanDerWaalsContact CE3-CD1 3.49Å; W246-F285 HydrophobicContact CE3-CE1 4.18Å; W246-F285 HydrophobicContact CE3-CG 4.5Å; W246-F285 HydrophobicContact CG-CD1 4.09Å; W246-F285 AromaticContact CG-CE1 3.83Å; W246-F285 HydrophobicContact CG-CE1 3.83Å; W246-F285 HydrophobicContact CH2-CD1 4.36Å; W246-F285 HydrophobicContact CZ3-CB 4.35Å; W246-F285 AromaticContact CZ3-CD1 3.88Å; W246-F285 HydrophobicContact CZ3-CD1 3.88Å; W246-F288 HydrophobicContact CH2-CB 4.21Å; W246-F288 HydrophobicContact CH2-CD2 4.33Å; W246-F288 HydrophobicContact CZ2-CB 4.44Å; W246-F288 HydrophobicContact CZ2-CD2 4.23Å; W246-I289 HydrophobicContact CH2-CG1 4.33Å
247	M	96.8	Very high	94	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	155.2	-177.9	-15.8	169.6	71.2	0	0	110.3	Y187 M191 L199 I200 M201 V222 V255 C256	Y187-M247 HydrophobicContact CD1-CE 3.46Å; Y187-M247 VanDerWaalsContact CD1-CE 3.46Å; Y187-M247 HydrophobicContact CD1-SD 3.52Å; Y187-M247 VanDerWaalsContact CD1-SD 3.52Å; Y187-M247 HydrophobicContact CE1-CE 4.04Å; Y187-M247 HydrophobicContact CE1-SD 3.68Å; Y187-M247 HydrophobicContact CG-CE 4.17Å; M191-M247 HydrophobicContact CE-SD 3.67Å; M191-M247 HydrophobicContact SD-SD 4.26Å; L199-M247 HydrophobicContact CB-CE 3.35Å; L199-M247 HydrophobicContact CB-SD 4.31Å; L199-M247 HydrophobicContact CD1-CE 3.53Å; L199-M247 HydrophobicContact CD1-SD 3.81Å; L199-M247 HydrophobicContact CG-CE 4.03Å; I200-M247 CarbonylContact O-C 3.59Å; I200-M247 WeakPolarHBondContact O-CA 3.06Å; I200-M247 WeakPolarHBondContact O-CB 3.22Å; M201-M247 HydrophobicContact CB-CE 3.97Å; M201-M247 HydrophobicContact CB-CG 4.43Å; M201-M247 HydrophobicContact CE-CE 3.56Å; M201-M247 HydrophobicContact CE-CG 4.21Å; M201-M247 HydrophobicContact CE-SD 4.07Å; M201-M247 HydrophobicContact CG-CE 4.43Å; M201-M247 HydrophobicContact SD-CE 4.44Å; V222-M247 HydrophobicContact CG1-CE 4.05Å; M247-V255 CarbonylContact O-C 3.59Å; M247-V255 WeakPolarHBondContact O-CA 3.03Å; M247-C256 HydrophobicContact CB-CB 4.26Å; M247-C256 HydrophobicContact CG-CB 4.08Å; M247-C256 PolarHBondContact N-O 2.78Å; M247-C256 PolarHBondContact O-N 3.5Å; M247-C256 HydrophobicContact SD-CB 4.18Å
248	Y	97.1	Very high	94.2	Very high	16 Å²	16	42.3 Å²	42.3	6%	0.063	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	154.8	161.6	70.6	-73.5	0	0	0	110.4	I200 L225 W246 W254 Y282 K286 I289	I200-Y248 HydrophobicContact CB-CD1 3.98Å; I200-Y248 HydrophobicContact CB-CE1 3.27Å; I200-Y248 HydrophobicContact CB-CE2 4.29Å; I200-Y248 HydrophobicContact CD1-CD2 4.34Å; I200-Y248 HydrophobicContact CD1-CE1 4.38Å; I200-Y248 HydrophobicContact CD1-CE2 3.83Å; I200-Y248 HydrophobicContact CG1-CE1 4.08Å; I200-Y248 HydrophobicContact CG1-CE2 4.27Å; I200-Y248 HydrophobicContact CG2-CD1 4.41Å; I200-Y248 HydrophobicContact CG2-CE1 3.41Å; I200-Y248 VanDerWaalsContact CG2-CE1 3.41Å; I200-Y248 PolarHBondContact N-O 2.92Å; I200-Y248 PolarHBondContact O-N 2.92Å; L225-Y248 HydrophobicContact CD2-CE1 4.46Å; W246-Y248 HydrophobicContact CZ3-CD1 4.29Å; Y248-W254 CarbonylContact C-O 3.54Å; Y248-W254 WeakPolarHBondContact CA-O 3.38Å; Y248-Y282 AromaticContact CD2-CE2 3.65Å; Y248-Y282 HydrophobicContact CD2-CE2 3.65Å; Y248-Y282 HydrophobicContact CG-CE2 4.27Å; Y248-K286 HydrophobicContact CD2-CB 4.26Å; Y248-K286 HydrophobicContact CD2-CG 4.45Å; Y248-K286 HydrophobicContact CE2-CB 4.31Å; Y248-K286 HydrophobicContact CE2-CD 4.36Å; Y248-K286 HydrophobicContact CE2-CG 4.06Å; Y248-I289 HydrophobicContact CD1-CD1 3.68Å; Y248-I289 HydrophobicContact CE1-CD1 2.88Å; Y248-I289 HydrophobicContact CE1-CG1 4.27Å; Y248-I289 HydrophobicContact CE2-CD1 4.39Å; Y248-I289 WeakPolarHBondContact OH-CD1 3.43Å
249	S	97.8	Very high	94	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	140.7	-179.6	71.1	0	0	0	0	112	S197 T198 K251 W254 Y282	S197-S249 WeakPolarHBondContact OG-CB 3.42Å; T198-S249 WeakPolarHBondContact O-CA 3.08Å; S249-K251 VanDerWaalsContact CB-O 3.3Å; S249-K251 WeakPolarHBondContact CB-O 3.43Å; S249-K251 PolarHBondContact O-N 3.19Å; S249-K251 PolarHBondContact OG-O 3.01Å; S249-W254 PolarHBondContact N-O 3.41Å; S249-W254 WeakPolarHBondContact OG-CB 3.43Å; S249-W254 PolarHBondContact OG-N 2.95Å; S249-Y282 WeakPolarHBondContact O-CE2 3.35Å; S249-Y282 PolarHBondContact O-OH 3.3Å
250	S	96	Very high	93.9	Very high	58 Å²	58	42 Å²	42	41%	0.406	24%	0.237	S	C	.	.	S	Bend	trans	-68.1	-15.2	175.9	67.5	0	0	0	0	113.7	S197 T198	S197-S250 PolarHBondContact OG-N 2.77Å; S197-S250 PolarHBondContact OG-OG 3.18Å; T198-S250 PolarHBondContact N-OG 2.94Å; T198-S250 PolarHBondContact O-N 2.93Å; T198-S250 PolarHBondContact O-OG 3.29Å
251	K	96.7	Very high	94	Very high	139 Å²	139	38 Å²	38	60%	0.604	21%	0.209	S	C	*	.	S	Bend	trans	-140.9	146.3	179.5	-63.7	-174.6	178.5	-178.1	0	109.8	S197 S249 K253	S197-K251 PolarHBondContact OG-N 3.24Å; S197-K251 PolarHBondContact OG-O 3.07Å; S249-K251 VanDerWaalsContact CB-O 3.3Å; S249-K251 WeakPolarHBondContact CB-O 3.43Å; S249-K251 PolarHBondContact O-N 3.19Å; S249-K251 PolarHBondContact OG-O 3.01Å; K251-K253 VanDerWaalsContact C-N 3.31Å; K251-K253 PolarHBondContact O-N 3.25Å
252	G	96.9	Very high	94.2	Very high	39 Å²	39	32.8 Å²	32.8	40%	0.402	19%	0.186	S	C	.	.	S	Bend	trans	83.7	-2.8	174.5	0	0	0	0	0	115.7	K277	G252-K277 VanDerWaalsContact O-CE 3.24Å; G252-K277 WeakPolarHBondContact O-CE 3.42Å; G252-K277 WeakPolarHBondContact O-CG 3.39Å
253	K	97.6	Very high	94.3	Very high	81 Å²	81	33.9 Å²	33.9	35%	0.352	19%	0.19	S	C	.	.			trans	58.3	46.4	173.7	-56	178.1	-179.4	-174.4	0	113.8	K251 D279 Y282	K251-K253 VanDerWaalsContact C-N 3.31Å; K251-K253 PolarHBondContact O-N 3.25Å; K253-D279 HydrophobicContact CD-CB 4.14Å; K253-D279 WeakPolarHBondContact CD-OD1 3.44Å; K253-D279 IonicContact NZ-OD1 2.9Å; K253-D279 IonicContact NZ-OD2 3.31Å; K253-D279 PolarHBondContact NZ-OD2 3.38Å; K253-Y282 HydrophobicContact CB-CD1 4.12Å; K253-Y282 HydrophobicContact CB-CD2 4.14Å; K253-Y282 HydrophobicContact CB-CG 3.83Å; K253-Y282 HydrophobicContact CG-CD1 3.98Å; K253-Y282 HydrophobicContact CG-CE1 4.21Å; K253-Y282 HydrophobicContact CG-CG 4.22Å
254	W	98.4	Very high	94.4	Very high	7 Å²	7	30.7 Å²	30.7	3%	0.027	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	139.1	175.6	-64.5	95.5	0	0	0	110.9	E174 R176 L195 Y248 S249 C275 L276 K277	E174-W254 HydrophobicContact CB-CH2 4.19Å; E174-W254 HydrophobicContact CG-CH2 3.76Å; E174-W254 WeakPolarHBondContact OE1-CH2 3.21Å; R176-W254 HydrophobicContact CB-CH2 4.45Å; R176-W254 HydrophobicContact CB-CZ3 4.28Å; R176-W254 VanDerWaalsContact CD-CH2 3.45Å; R176-W254 HydrophobicContact CG-CH2 3.6Å; R176-W254 HydrophobicContact CG-CZ2 4.36Å; R176-W254 HydrophobicContact CG-CZ3 3.89Å; R176-W254 VanDerWaalsContact NE-CH2 3.27Å; R176-W254 VanDerWaalsContact NE-CZ2 3.27Å; L195-W254 HydrophobicContact CD2-CD2 3.8Å; L195-W254 HydrophobicContact CD2-CE3 4.38Å; L195-W254 HydrophobicContact CD2-CG 3.92Å; L195-W254 HydrophobicContact CD2-CZ2 4.35Å; Y248-W254 CarbonylContact C-O 3.54Å; Y248-W254 WeakPolarHBondContact CA-O 3.38Å; S249-W254 PolarHBondContact N-O 3.41Å; S249-W254 WeakPolarHBondContact OG-CB 3.43Å; S249-W254 PolarHBondContact OG-N 2.95Å; W254-C275 HydrophobicContact CD2-CB 4.49Å; W254-C275 HydrophobicContact CE3-CB 3.65Å; W254-C275 HydrophobicContact CZ3-CB 4.18Å; W254-L276 WeakPolarHBondContact CA-O 3.28Å; W254-L276 VanDerWaalsContact CE3-C 3.48Å; W254-K277 HydrophobicContact CD2-CB 4.14Å; W254-K277 HydrophobicContact CD2-CG 4.32Å; W254-K277 HydrophobicContact CE3-CB 3.79Å; W254-K277 HydrophobicContact CE3-CG 4.46Å; W254-K277 HydrophobicContact CH2-CB 3.78Å; W254-K277 HydrophobicContact CH2-CD 4.12Å; W254-K277 HydrophobicContact CH2-CG 4.41Å; W254-K277 HydrophobicContact CZ2-CB 4.12Å; W254-K277 HydrophobicContact CZ2-CD 3.77Å; W254-K277 HydrophobicContact CZ2-CG 4.25Å; W254-K277 HydrophobicContact CZ3-CB 3.62Å
255	V	98.4	Very high	94.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.6	161.6	179.7	0	0	0	0	107.8	M247 F257 C275 L276 V281 F285	M247-V255 CarbonylContact O-C 3.59Å; M247-V255 WeakPolarHBondContact O-CA 3.03Å; V255-F257 HydrophobicContact CG1-CE1 4.31Å; V255-F257 HydrophobicContact CG1-CE2 4.01Å; V255-F257 HydrophobicContact CG1-CZ 3.65Å; V255-C275 CarbonylContact O-C 3.57Å; V255-C275 WeakPolarHBondContact O-CA 3.47Å; V255-L276 HydrophobicContact CB-CD2 4.29Å; V255-L276 HydrophobicContact CB-CG 4.39Å; V255-L276 PolarHBondContact N-O 3.39Å; V255-L276 PolarHBondContact O-N 3.4Å; V255-V281 HydrophobicContact CB-CG1 4.46Å; V255-V281 HydrophobicContact CG2-CG1 4.16Å; V255-F285 HydrophobicContact CB-CD2 4.48Å; V255-F285 HydrophobicContact CG1-CB 4.3Å; V255-F285 HydrophobicContact CG1-CD1 3.93Å; V255-F285 HydrophobicContact CG1-CD2 3.66Å; V255-F285 HydrophobicContact CG1-CE1 4.15Å; V255-F285 HydrophobicContact CG1-CE2 3.91Å; V255-F285 HydrophobicContact CG1-CG 3.67Å; V255-F285 HydrophobicContact CG1-CZ 4.15Å; V255-F285 HydrophobicContact CG2-CB 4.06Å; V255-F285 HydrophobicContact CG2-CD2 4.06Å; V255-F285 HydrophobicContact CG2-CG 4.17Å
256	C	98.4	Very high	93.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145.9	-174.2	-59.7	0	0	0	0	111.2	M191 W246 M247 V274 C275	M191-C256 HydrophobicContact CE-CB 3.84Å; W246-C256 CarbonylContact C-O 3.45Å; W246-C256 WeakPolarHBondContact CA-O 3.17Å; W246-C256 WeakPolarHBondContact CB-O 3.3Å; M247-C256 HydrophobicContact CB-CB 4.26Å; M247-C256 HydrophobicContact CG-CB 4.08Å; M247-C256 PolarHBondContact N-O 2.78Å; M247-C256 PolarHBondContact O-N 3.5Å; M247-C256 HydrophobicContact SD-CB 4.18Å; C256-V274 CarbonylContact C-O 3.59Å; C256-V274 WeakPolarHBondContact CA-O 3.31Å; C256-C275 HydrophobicContact CB-CB 4.04Å; C256-C275 WeakPolarHBondContact CB-SG 3.46Å; C256-C275 WeakPolarHBondContact SG-CB 3.4Å; C256-C275 CovalentContact SG-SG 2.03Å; C256-C275 PolarHBondContact SG-SG 2.82Å
257	F	96.4	Very high	93.3	Very high	47 Å²	47	38.8 Å²	38.8	21%	0.206	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	142.7	174.7	-52.8	-81.5	0	0	0	109.2	L51 V245 W246 V255 A273 V274 L276 F285	L51-F257 HydrophobicContact CD1-CE1 4.04Å; L51-F257 HydrophobicContact CD1-CE2 3.83Å; L51-F257 HydrophobicContact CD1-CZ 3.47Å; L51-F257 VanDerWaalsContact CD1-CZ 3.47Å; L51-F257 HydrophobicContact CD2-CE2 4.41Å; L51-F257 HydrophobicContact CD2-CZ 3.73Å; L51-F257 HydrophobicContact CG-CZ 4.26Å; V245-F257 CarbonylContact O-C 3.53Å; V245-F257 WeakPolarHBondContact O-CA 3.26Å; W246-F257 HydrophobicContact CB-CD1 3.75Å; W246-F257 HydrophobicContact CB-CE1 3.92Å; V255-F257 HydrophobicContact CG1-CE1 4.31Å; V255-F257 HydrophobicContact CG1-CE2 4.01Å; V255-F257 HydrophobicContact CG1-CZ 3.65Å; F257-A273 CarbonylContact O-C 3.56Å; F257-A273 WeakPolarHBondContact O-CA 3.3Å; F257-A273 VanDerWaalsContact O-CB 3.29Å; F257-A273 WeakPolarHBondContact O-CB 3.41Å; F257-V274 HydrophobicContact CB-CG1 4.2Å; F257-V274 HydrophobicContact CD2-CG1 4.33Å; F257-V274 PolarHBondContact N-O 2.7Å; F257-V274 PolarHBondContact O-N 2.88Å; F257-L276 HydrophobicContact CD2-CD2 4.39Å; F257-L276 HydrophobicContact CE2-CD2 3.52Å; F257-L276 HydrophobicContact CZ-CD2 4.36Å; F257-F285 AromaticContact CE1-CE1 3.78Å; F257-F285 HydrophobicContact CE1-CE1 3.78Å; F257-F285 AromaticContact CE1-CZ 3.61Å; F257-F285 HydrophobicContact CE1-CZ 3.61Å; F257-F285 HydrophobicContact CZ-CE1 4.15Å; F257-F285 HydrophobicContact CZ-CE2 4.17Å; F257-F285 AromaticContact CZ-CZ 3.62Å; F257-F285 HydrophobicContact CZ-CZ 3.62Å
258	S	93.7	Very high	92.7	Very high	18 Å²	18	43 Å²	43	13%	0.126	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	150.2	178.4	-176.1	0	0	0	0	112.3	Y187 V245 S260 G272	Y187-S258 WeakPolarHBondContact OH-CB 3.1Å; Y187-S258 PolarHBondContact OH-OG 2.79Å; V245-S258 PolarHBondContact O-N 2.03Å; S258-S260 VanDerWaalsContact C-N 3.28Å; S258-S260 PolarHBondContact OG-N 2.86Å; S258-S260 PolarHBondContact OG-O 3.29Å; S258-G272 WeakPolarHBondContact CA-O 3.43Å; S258-G272 WeakPolarHBondContact CB-O 3.45Å; S258-G272 PolarHBondContact OG-O 2.84Å
259	S	84.9	Confident	92	Very high	74 Å²	74	43.7 Å²	43.7	52%	0.517	25%	0.25	S	S	.	.	S	Bend	trans	-77.6	-8.9	172.9	53	0	0	0	0	113.7	E129 G272	E129-S259 WeakPolarHBondContact OE2-CB 3.33Å; E129-S259 PolarHBondContact OE2-OG 3.42Å; S259-G272 PolarHBondContact N-O 3.37Å; S259-G272 PolarHBondContact OG-N 2.58Å; S259-G272 PolarHBondContact OG-O 3.36Å
260	S	87.6	Confident	91.2	Very high	9 Å²	9	45.6 Å²	45.6	6%	0.063	26%	0.263	C	S	.	.	S	Bend	trans	-138.2	130.2	-173.1	-49.1	0	0	0	0	112.6	Y187 S258	Y187-S260 PolarHBondContact OH-O 2.92Å; S258-S260 VanDerWaalsContact C-N 3.28Å; S258-S260 PolarHBondContact OG-N 2.86Å; S258-S260 PolarHBondContact OG-O 3.29Å
261	P	91.1	Very high	90.8	Very high	19 Å²	19	43 Å²	43	12%	0.123	24%	0.244	C	C	.	.			trans	-64.3	157.4	174.9	28.5	-34.1	0	0	0	111.2	N203 I204 V245 Q263 Q266	N203-P261 WeakPolarHBondContact OD1-CA 3.44Å; N203-P261 WeakPolarHBondContact OD1-CB 3.35Å; I204-P261 HydrophobicContact CB-CB 4.48Å; I204-P261 HydrophobicContact CD1-CB 4.24Å; I204-P261 HydrophobicContact CD1-CG 4.39Å; I204-P261 HydrophobicContact CG1-CB 4.5Å; V245-P261 HydrophobicContact CG2-CB 4.15Å; P261-Q263 HydrophobicContact CB-CG 4.16Å; P261-Q263 HydrophobicContact CG-CG 4.22Å; P261-Q263 PolarHBondContact O-N 3.48Å; P261-Q266 HydrophobicContact CG-CG 4.13Å
262	R	93.7	Very high	90.5	Very high	5 Å²	5	36.5 Å²	36.5	2%	0.019	22%	0.216	C	C	.	.	S	Bend	trans	-82.5	70.9	179.4	-170.4	170.4	179.6	-120.1	-2.8	111.4	D185 Y187 S188 M201 N203 V212 V222 Y224	D185-R262 IonicContact OD1-NE 2.75Å; D185-R262 PolarHBondContact OD1-NE 2.82Å; D185-R262 IonicContact OD2-CZ 3.76Å; D185-R262 VanDerWaalsContact OD2-CZ 3.26Å; D185-R262 IonicContact OD2-NE 2.67Å; D185-R262 PolarHBondContact OD2-NE 2.73Å; D185-R262 IonicContact OD2-NH2 2.67Å; D185-R262 PolarHBondContact OD2-NH2 2.85Å; Y187-R262 HydrophobicContact CD2-CB 3.75Å; Y187-R262 VanDerWaalsContact CD2-CD 3.5Å; Y187-R262 HydrophobicContact CD2-CG 3.55Å; Y187-R262 HydrophobicContact CE2-CB 3.61Å; Y187-R262 HydrophobicContact CE2-CG 3.94Å; Y187-R262 HydrophobicContact CG-CG 4.45Å; S188-R262 PolarHBondContact OG-NH2 3.17Å; M201-R262 HydrophobicContact CE-CB 3.9Å; M201-R262 HydrophobicContact SD-CB 3.5Å; M201-R262 VanDerWaalsContact SD-CB 3.5Å; M201-R262 HydrophobicContact SD-CG 4.38Å; N203-R262 PolarHBondContact OD1-N 3.24Å; V212-R262 HydrophobicContact CB-CG 4.01Å; V212-R262 HydrophobicContact CG2-CG 4.03Å; V212-R262 PolarHBondContact N-O 2.7Å; V222-R262 VanDerWaalsContact CB-NH1 3.27Å; V222-R262 VanDerWaalsContact CG1-NH1 3.34Å; Y224-R262 HydrophobicContact CE1-CB 4.4Å; Y224-R262 VanDerWaalsContact CZ-NH1 3.29Å; Y224-R262 WeakPolarHBondContact OH-CD 3.14Å; Y224-R262 PolarHBondContact OH-NH1 2.63Å
263	Q	91.6	Very high	90.4	Very high	35 Å²	35	35 Å²	35	16%	0.164	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-114.4	155.5	179.5	-62.3	169.4	4.5	0	0	111.7	A205 E210 P261 S265 Q266	A205-Q263 HydrophobicContact CB-CG 4.42Å; A205-Q263 VanDerWaalsContact CB-NE2 3.25Å; E210-Q263 CarbonylContact O-C 3.42Å; E210-Q263 WeakPolarHBondContact O-CA 3.18Å; P261-Q263 HydrophobicContact CB-CG 4.16Å; P261-Q263 HydrophobicContact CG-CG 4.22Å; P261-Q263 PolarHBondContact O-N 3.48Å; Q263-S265 VanDerWaalsContact C-N 3.34Å; Q263-S265 PolarHBondContact OE1-OG 3.17Å; Q263-Q266 HydrophobicContact CB-CB 4.48Å; Q263-Q266 HydrophobicContact CB-CG 3.94Å; Q263-Q266 PolarHBondContact O-N 2.87Å
264	V	89	Confident	90.2	Very high	62 Å²	62	33.6 Å²	33.6	38%	0.376	20%	0.198	S	C	.	.	S	Bend	trans	-63.6	-42	178.2	176.3	0	0	0	0	110.7	E210 V212 Q266 R267	E210-V264 PolarHBondContact O-N 3.1Å; V212-V264 HydrophobicContact CG2-CG2 4.25Å; V264-Q266 PolarHBondContact O-N 2.8Å; V264-R267 VanDerWaalsContact O-CB 3.3Å; V264-R267 WeakPolarHBondContact O-CB 3.02Å; V264-R267 WeakPolarHBondContact O-CG 2.8Å; V264-R267 PolarHBondContact O-N 2.62Å; V264-R267 VanDerWaalsContact O-N 3.07Å
265	S	86.4	Confident	90.2	Very high	55 Å²	55	33.2 Å²	33.2	39%	0.385	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-58.2	-28.2	174.1	46.3	0	0	0	0	113.5	E210 Q263 R267	E210-S265 VanDerWaalsContact OE2-CB 3.29Å; E210-S265 WeakPolarHBondContact OE2-CB 3.46Å; E210-S265 PolarHBondContact OE2-OG 3.45Å; Q263-S265 VanDerWaalsContact C-N 3.34Å; Q263-S265 PolarHBondContact OE1-OG 3.17Å; S265-R267 VanDerWaalsContact C-N 3.28Å; S265-R267 PolarHBondContact O-N 3.27Å
266	Q	86.3	Confident	90.2	Very high	56 Å²	56	33.5 Å²	33.5	26%	0.262	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-82.3	-0.2	178.8	-58.3	-60.8	-37.5	0	0	113.4	P261 Q263 V264 A269 K271	P261-Q266 HydrophobicContact CG-CG 4.13Å; Q263-Q266 HydrophobicContact CB-CB 4.48Å; Q263-Q266 HydrophobicContact CB-CG 3.94Å; Q263-Q266 PolarHBondContact O-N 2.87Å; V264-Q266 PolarHBondContact O-N 2.8Å; Q266-A269 PolarHBondContact O-N 2.92Å; Q266-K271 WeakPolarHBondContact O-CD 3.47Å; Q266-K271 PolarHBondContact O-NZ 2.64Å
267	R	85	Confident	90.1	Very high	95 Å²	95	37.5 Å²	37.5	36%	0.358	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-65.3	-41.1	179.1	-77.8	-178.7	-179.8	167.6	1.4	112.7	N183 V264 S265 K271	N183-R267 WeakPolarHBondContact CA-O 3.3Å; N183-R267 WeakPolarHBondContact O-CB 3.48Å; V264-R267 VanDerWaalsContact O-CB 3.3Å; V264-R267 WeakPolarHBondContact O-CB 3.02Å; V264-R267 WeakPolarHBondContact O-CG 2.8Å; V264-R267 PolarHBondContact O-N 2.62Å; V264-R267 VanDerWaalsContact O-N 3.07Å; S265-R267 VanDerWaalsContact C-N 3.28Å; S265-R267 PolarHBondContact O-N 3.27Å; R267-K271 PolarHBondContact O-NZ 2.81Å
268	S	83	Confident	90.1	Very high	89 Å²	89	36.6 Å²	36.6	62%	0.622	21%	0.213	S	C	*	.	S	Bend	trans	-77	-25.4	-179.9	52.1	0	0	0	0	113.2	N183	N183-S268 WeakPolarHBondContact OD1-CA 3.35Å
269	A	83.5	Confident	90.3	Very high	30 Å²	30	39.5 Å²	39.5	25%	0.248	23%	0.227	C	C	.	.	S	Bend	trans	-68.9	141.5	175.8	0	0	0	0	0	110.5	Q266 K271	Q266-A269 PolarHBondContact O-N 2.92Å; A269-K271 PolarHBondContact O-NZ 2.81Å
270	P	81.1	Confident	90.9	Very high	39 Å²	39	40.4 Å²	40.4	25%	0.253	22%	0.221	S	C	.	.			trans	-64.2	143.4	165.3	-17.8	31.3	0	0	0	111.4	Y128 M130 L180 K181	Y128-P270 WeakPolarHBondContact O-CB 3.24Å; Y128-P270 WeakPolarHBondContact O-CG 3.43Å; M130-P270 HydrophobicContact CG-CG 4.29Å; L180-P270 WeakPolarHBondContact O-CA 3.47Å; K181-P270 HydrophobicContact CG-CG 4.46Å
271	K	87.7	Confident	91.3	Very high	5 Å²	5	40 Å²	40	2%	0.022	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	149.4	-171.4	-63.3	165.6	-77.4	-70	0	109.9	L180 M184 L186 Q266 R267 A269	L180-K271 PolarHBondContact N-O 2.77Å; L180-K271 PolarHBondContact O-N 3.12Å; M184-K271 WeakPolarHBondContact O-CE 3.29Å; L186-K271 HydrophobicContact CB-CB 4.18Å; L186-K271 HydrophobicContact CB-CD 4.01Å; L186-K271 HydrophobicContact CD2-CB 3.8Å; Q266-K271 WeakPolarHBondContact O-CD 3.47Å; Q266-K271 PolarHBondContact O-NZ 2.64Å; R267-K271 PolarHBondContact O-NZ 2.81Å; A269-K271 PolarHBondContact O-NZ 2.81Å
272	G	90	Very high	91.6	Very high	1 Å²	1	40 Å²	40	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	168.4	164.7	0	0	0	0	0	114.4	E129 F178 S258 S259	E129-G272 VanDerWaalsContact OE1-CA 3.22Å; E129-G272 WeakPolarHBondContact OE1-CA 3.26Å; F178-G272 CarbonylContact O-C 3.54Å; F178-G272 WeakPolarHBondContact O-CA 3.15Å; S258-G272 WeakPolarHBondContact CA-O 3.43Å; S258-G272 WeakPolarHBondContact CB-O 3.45Å; S258-G272 PolarHBondContact OG-O 2.84Å; S259-G272 PolarHBondContact N-O 3.37Å; S259-G272 PolarHBondContact OG-N 2.58Å; S259-G272 PolarHBondContact OG-O 3.36Å
273	A	94.2	Very high	91.7	Very high	9 Å²	9	43.8 Å²	43.8	7%	0.074	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	151.7	178.3	0	0	0	0	0	110.4	T177 F178 L186 M191 F257	T177-A273 CarbonylContact C-O 3.33Å; T177-A273 WeakPolarHBondContact CA-O 3.34Å; F178-A273 HydrophobicContact CB-CB 4.34Å; F178-A273 HydrophobicContact CD2-CB 4.43Å; F178-A273 PolarHBondContact N-O 3.31Å; F178-A273 PolarHBondContact O-N 2.9Å; L186-A273 HydrophobicContact CD2-CB 4.12Å; M191-A273 HydrophobicContact CE-CB 3.66Å; M191-A273 HydrophobicContact SD-CB 3.66Å; F257-A273 CarbonylContact O-C 3.56Å; F257-A273 WeakPolarHBondContact O-CA 3.3Å; F257-A273 VanDerWaalsContact O-CB 3.29Å; F257-A273 WeakPolarHBondContact O-CB 3.41Å
274	V	94.8	Very high	91.9	Very high	50 Å²	50	44.1 Å²	44.1	30%	0.303	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	139.8	170	63.3	0	0	0	0	108.4	F175 R176 T177 C256 F257	F175-V274 HydrophobicContact CD1-CG2 3.8Å; F175-V274 HydrophobicContact CE1-CG2 4.46Å; R176-V274 CarbonylContact O-C 3.45Å; R176-V274 WeakPolarHBondContact O-CA 3.29Å; T177-V274 HydrophobicContact CG2-CG2 4.37Å; C256-V274 CarbonylContact C-O 3.59Å; C256-V274 WeakPolarHBondContact CA-O 3.31Å; F257-V274 HydrophobicContact CB-CG1 4.2Å; F257-V274 HydrophobicContact CD2-CG1 4.33Å; F257-V274 PolarHBondContact N-O 2.7Å; F257-V274 PolarHBondContact O-N 2.88Å
275	C	98	Very high	92.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.2	172.8	-55.8	0	0	0	0	109.8	F175 R176 F178 W254 V255 C256	F175-C275 CarbonylContact C-O 2.84Å; F175-C275 WeakPolarHBondContact CA-O 3.15Å; R176-C275 HydrophobicContact CB-CB 4.49Å; R176-C275 PolarHBondContact N-O 3.16Å; R176-C275 PolarHBondContact O-N 2.64Å; F178-C275 HydrophobicContact CE2-CB 4.29Å; F178-C275 VanDerWaalsContact CE2-SG 3.5Å; W254-C275 HydrophobicContact CD2-CB 4.49Å; W254-C275 HydrophobicContact CE3-CB 3.65Å; W254-C275 HydrophobicContact CZ3-CB 4.18Å; V255-C275 CarbonylContact O-C 3.57Å; V255-C275 WeakPolarHBondContact O-CA 3.47Å; C256-C275 HydrophobicContact CB-CB 4.04Å; C256-C275 WeakPolarHBondContact CB-SG 3.46Å; C256-C275 WeakPolarHBondContact SG-CB 3.4Å; C256-C275 CovalentContact SG-SG 2.03Å; C256-C275 PolarHBondContact SG-SG 2.82Å
276	L	97.1	Very high	92.5	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	149.7	167.9	71.4	128.5	0	0	0	110.2	T173 E174 F175 W254 V255 F257 N278 V281	T173-L276 HydrophobicContact CG2-CB 4.41Å; E174-L276 WeakPolarHBondContact O-CA 3.33Å; F175-L276 HydrophobicContact CD1-CB 4.04Å; F175-L276 HydrophobicContact CE1-CB 3.68Å; F175-L276 HydrophobicContact CE2-CB 4.29Å; F175-L276 HydrophobicContact CZ-CB 3.82Å; W254-L276 WeakPolarHBondContact CA-O 3.28Å; W254-L276 VanDerWaalsContact CE3-C 3.48Å; V255-L276 HydrophobicContact CB-CD2 4.29Å; V255-L276 HydrophobicContact CB-CG 4.39Å; V255-L276 PolarHBondContact N-O 3.39Å; V255-L276 PolarHBondContact O-N 3.4Å; F257-L276 HydrophobicContact CD2-CD2 4.39Å; F257-L276 HydrophobicContact CE2-CD2 3.52Å; F257-L276 HydrophobicContact CZ-CD2 4.36Å; L276-N278 HydrophobicContact CD1-CB 3.81Å; L276-V281 HydrophobicContact CD1-CB 4.11Å; L276-V281 HydrophobicContact CD1-CG1 4.06Å; L276-V281 HydrophobicContact CD1-CG2 4.17Å
277	K	97.6	Very high	92.8	Very high	84 Å²	84	42.7 Å²	42.7	37%	0.365	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	102.7	175.5	-164.4	-177.7	-175.3	-173.9	0	109.9	E174 G252 W254	E174-K277 HydrophobicContact CB-CB 4.13Å; E174-K277 HydrophobicContact CB-CD 4.46Å; E174-K277 PolarHBondContact O-N 2.97Å; E174-K277 WeakPolarHBondContact OE2-CD 3.4Å; E174-K277 IonicContact OE2-NZ 2.65Å; G252-K277 VanDerWaalsContact O-CE 3.24Å; G252-K277 WeakPolarHBondContact O-CE 3.42Å; G252-K277 WeakPolarHBondContact O-CG 3.39Å; W254-K277 HydrophobicContact CD2-CB 4.14Å; W254-K277 HydrophobicContact CD2-CG 4.32Å; W254-K277 HydrophobicContact CE3-CB 3.79Å; W254-K277 HydrophobicContact CE3-CG 4.46Å; W254-K277 HydrophobicContact CH2-CB 3.78Å; W254-K277 HydrophobicContact CH2-CD 4.12Å; W254-K277 HydrophobicContact CH2-CG 4.41Å; W254-K277 HydrophobicContact CZ2-CB 4.12Å; W254-K277 HydrophobicContact CZ2-CD 3.77Å; W254-K277 HydrophobicContact CZ2-CG 4.25Å; W254-K277 HydrophobicContact CZ3-CB 3.62Å
278	N	96.8	Very high	93.1	Very high	27 Å²	27	39.2 Å²	39.2	14%	0.144	22%	0.221	C	C	.	.			trans	-149.4	125.4	177.3	-176.9	-73.9	0	0	0	109.7	L276 K280 V281 Y282	L276-N278 HydrophobicContact CD1-CB 3.81Å; N278-K280 VanDerWaalsContact C-N 3.28Å; N278-K280 PolarHBondContact O-N 3.07Å; N278-K280 PolarHBondContact OD1-N 3.27Å; N278-V281 HydrophobicContact CB-CB 4.11Å; N278-V281 HydrophobicContact CB-CG2 4.05Å; N278-V281 PolarHBondContact OD1-N 3.45Å; N278-Y282 WeakPolarHBondContact O-CB 3.5Å; N278-Y282 PolarHBondContact O-N 3.36Å
279	D	96.6	Very high	92.9	Very high	79 Å²	79	36.6 Å²	36.6	42%	0.422	20%	0.2	S	C	.	.	H	α-helix	trans	-59.2	-38.6	-174.3	-74.4	15.6	0	0	0	113.1	K253 Y282 E283	K253-D279 HydrophobicContact CD-CB 4.14Å; K253-D279 WeakPolarHBondContact CD-OD1 3.44Å; K253-D279 IonicContact NZ-OD1 2.9Å; K253-D279 IonicContact NZ-OD2 3.31Å; K253-D279 PolarHBondContact NZ-OD2 3.38Å; D279-Y282 WeakPolarHBondContact O-CB 3.32Å; D279-E283 WeakPolarHBondContact O-CG 3.41Å; D279-E283 PolarHBondContact O-N 2.81Å; D279-E283 VanDerWaalsContact O-N 3.13Å
280	K	96.8	Very high	92.5	Very high	93 Å²	93	42.6 Å²	42.6	40%	0.404	22%	0.22	S	C	.	.	H	α-helix	trans	-83.8	-43.4	-172.2	-59.6	-54.1	-156.9	99.8	0	111.7	V69 D70 N278 Y282 E283 H284	V69-K280 HydrophobicContact CB-CB 3.92Å; V69-K280 HydrophobicContact CG2-CB 3.55Å; V69-K280 HydrophobicContact CG2-CG 3.63Å; D70-K280 WeakPolarHBondContact OD1-CB 3.36Å; D70-K280 WeakPolarHBondContact OD1-CD 3.36Å; D70-K280 VanDerWaalsContact OD1-CE 3.27Å; D70-K280 WeakPolarHBondContact OD1-CE 3.29Å; D70-K280 WeakPolarHBondContact OD1-CG 3.45Å; D70-K280 IonicContact OD1-NZ 2.77Å; D70-K280 PolarHBondContact OD1-NZ 2.82Å; D70-K280 IonicContact OD2-NZ 3.26Å; D70-K280 PolarHBondContact OD2-NZ 3.33Å; N278-K280 VanDerWaalsContact C-N 3.28Å; N278-K280 PolarHBondContact O-N 3.07Å; N278-K280 PolarHBondContact OD1-N 3.27Å; K280-Y282 PolarHBondContact O-N 2.89Å; K280-E283 PolarHBondContact O-N 3.13Å; K280-H284 PolarHBondContact O-CD2 2.89Å; K280-H284 PolarHBondContact O-N 3.42Å
281	V	96.4	Very high	92.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.6	-40.8	168.9	-176	0	0	0	0	110.4	W49 L51 V255 L276 N278 E283 H284 F285	W49-V281 HydrophobicContact CH2-CG2 3.48Å; W49-V281 VanDerWaalsContact CH2-CG2 3.48Å; W49-V281 HydrophobicContact CZ2-CG2 4.27Å; W49-V281 HydrophobicContact CZ3-CG2 4.15Å; L51-V281 HydrophobicContact CD2-CG1 4.03Å; V255-V281 HydrophobicContact CB-CG1 4.46Å; V255-V281 HydrophobicContact CG2-CG1 4.16Å; L276-V281 HydrophobicContact CD1-CB 4.11Å; L276-V281 HydrophobicContact CD1-CG1 4.06Å; L276-V281 HydrophobicContact CD1-CG2 4.17Å; N278-V281 HydrophobicContact CB-CB 4.11Å; N278-V281 HydrophobicContact CB-CG2 4.05Å; N278-V281 PolarHBondContact OD1-N 3.45Å; V281-E283 PolarHBondContact O-N 2.9Å; V281-H284 WeakPolarHBondContact O-CB 2.89Å; V281-H284 PolarHBondContact O-N 3.08Å; V281-F285 HydrophobicContact CG1-CD2 3.81Å; V281-F285 HydrophobicContact CG1-CE2 3.81Å; V281-F285 WeakPolarHBondContact O-CD2 3.49Å; V281-F285 PolarHBondContact O-N 3.06Å; V281-F285 VanDerWaalsContact O-N 3.09Å
282	Y	97.3	Very high	92.6	Very high	20 Å²	20	49.2 Å²	49.2	8%	0.078	25%	0.247	C	C	.	.	H	α-helix	trans	-57.5	-48.1	174.6	171.1	-96.5	0	0	0	113	Y248 S249 K253 N278 D279 K280 H284 F285 K286	Y248-Y282 AromaticContact CD2-CE2 3.65Å; Y248-Y282 HydrophobicContact CD2-CE2 3.65Å; Y248-Y282 HydrophobicContact CG-CE2 4.27Å; S249-Y282 WeakPolarHBondContact O-CE2 3.35Å; S249-Y282 PolarHBondContact O-OH 3.3Å; K253-Y282 HydrophobicContact CB-CD1 4.12Å; K253-Y282 HydrophobicContact CB-CD2 4.14Å; K253-Y282 HydrophobicContact CB-CG 3.83Å; K253-Y282 HydrophobicContact CG-CD1 3.98Å; K253-Y282 HydrophobicContact CG-CE1 4.21Å; K253-Y282 HydrophobicContact CG-CG 4.22Å; N278-Y282 WeakPolarHBondContact O-CB 3.5Å; N278-Y282 PolarHBondContact O-N 3.36Å; D279-Y282 WeakPolarHBondContact O-CB 3.32Å; K280-Y282 PolarHBondContact O-N 2.89Å; Y282-H284 VanDerWaalsContact C-N 3.3Å; Y282-H284 PolarHBondContact O-N 3.39Å; Y282-F285 PolarHBondContact O-N 2.02Å; Y282-K286 HydrophobicContact CE1-CD 3.65Å; Y282-K286 VanDerWaalsContact O-CB 3.24Å; Y282-K286 WeakPolarHBondContact O-CB 2.9Å; Y282-K286 PolarHBondContact O-N 3.45Å
283	E	96.3	Very high	92.4	Very high	85 Å²	85	51.4 Å²	51.4	40%	0.397	26%	0.257	S	S	.	.	H	α-helix	trans	-66.1	-31.7	178.6	-67.9	-54.6	147.9	0	0	112.3	D279 K280 V281 K286 G287	D279-E283 WeakPolarHBondContact O-CG 3.41Å; D279-E283 PolarHBondContact O-N 2.81Å; D279-E283 VanDerWaalsContact O-N 3.13Å; K280-E283 PolarHBondContact O-N 3.13Å; V281-E283 PolarHBondContact O-N 2.9Å; E283-K286 IonicContact OE1-NZ 2.63Å; E283-K286 PolarHBondContact OE1-NZ 3.39Å; E283-K286 IonicContact OE2-NZ 3.85Å; E283-K286 PolarHBondContact OE2-NZ 3.22Å; E283-G287 WeakPolarHBondContact O-CA 3.42Å; E283-G287 PolarHBondContact O-N 3.01Å
284	H	95	Very high	91.9	Very high	41 Å²	41	55.2 Å²	55.2	19%	0.19	28%	0.283	C	S	.	.	H	α-helix	trans	-59.9	-55.4	170.4	-72.7	-57.1	0	0	0	112.2	V69 D70 W72 K280 V281 Y282 K286 G287 F288	V69-H284 PolarHBondContact O-CD2 3.36Å; V69-H284 PolarHBondContact O-NE2 3.24Å; D70-H284 PolarHBondContact O-CE1 3.43Å; D70-H284 PolarHBondContact O-NE2 3.15Å; W72-H284 AromaticContact CD1-CE1 3.72Å; W72-H284 AromaticContact CD1-CG 3.83Å; W72-H284 AromaticContact CD1-ND1 3.58Å; W72-H284 AromaticContact NE1-CD2 3.6Å; W72-H284 AromaticContact NE1-CE1 3.93Å; W72-H284 AromaticContact NE1-CG 3.24Å; W72-H284 AromaticContact NE1-ND1 3.47Å; W72-H284 PolarHBondContact NE1-ND1 3.14Å; W72-H284 AromaticContact NE1-NE2 4Å; K280-H284 PolarHBondContact O-CD2 2.89Å; K280-H284 PolarHBondContact O-N 3.42Å; V281-H284 WeakPolarHBondContact O-CB 2.89Å; V281-H284 PolarHBondContact O-N 3.08Å; Y282-H284 VanDerWaalsContact C-N 3.3Å; Y282-H284 PolarHBondContact O-N 3.39Å; H284-K286 VanDerWaalsContact C-N 3.3Å; H284-K286 PolarHBondContact O-N 3.3Å; H284-G287 CarbonylContact O-C 3.39Å; H284-G287 WeakPolarHBondContact O-CA 3.41Å; H284-G287 PolarHBondContact O-N 3.01Å; H284-F288 HydrophobicContact CB-CZ 4.24Å; H284-F288 VanDerWaalsContact O-CD1 3.26Å; H284-F288 WeakPolarHBondContact O-CD1 3.47Å; H284-F288 WeakPolarHBondContact O-CG 3.36Å; H284-F288 PolarHBondContact O-N 2.99Å
285	F	94.9	Very high	91.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65.5	-34.8	-177.4	-83.9	-93.7	0	0	0	112.8	L51 W72 W246 V255 F257 V281 Y282 G287 F288	L51-F285 HydrophobicContact CD2-CE2 3.53Å; L51-F285 HydrophobicContact CD2-CZ 3.79Å; W72-F285 HydrophobicContact CH2-CE2 4.23Å; W72-F285 HydrophobicContact CH2-CZ 4.4Å; W72-F285 AromaticContact CZ2-CE2 3.88Å; W72-F285 HydrophobicContact CZ2-CE2 3.88Å; W72-F285 HydrophobicContact CZ2-CZ 4.37Å; W246-F285 HydrophobicContact CB-CD1 4.49Å; W246-F285 HydrophobicContact CB-CE1 4.13Å; W246-F285 AromaticContact CD2-CD1 3.63Å; W246-F285 HydrophobicContact CD2-CD1 3.63Å; W246-F285 AromaticContact CD2-CE1 3.84Å; W246-F285 HydrophobicContact CD2-CE1 3.84Å; W246-F285 AromaticContact CE3-CD1 3.49Å; W246-F285 HydrophobicContact CE3-CD1 3.49Å; W246-F285 VanDerWaalsContact CE3-CD1 3.49Å; W246-F285 HydrophobicContact CE3-CE1 4.18Å; W246-F285 HydrophobicContact CE3-CG 4.5Å; W246-F285 HydrophobicContact CG-CD1 4.09Å; W246-F285 AromaticContact CG-CE1 3.83Å; W246-F285 HydrophobicContact CG-CE1 3.83Å; W246-F285 HydrophobicContact CH2-CD1 4.36Å; W246-F285 HydrophobicContact CZ3-CB 4.35Å; W246-F285 AromaticContact CZ3-CD1 3.88Å; W246-F285 HydrophobicContact CZ3-CD1 3.88Å; V255-F285 HydrophobicContact CB-CD2 4.48Å; V255-F285 HydrophobicContact CG1-CB 4.3Å; V255-F285 HydrophobicContact CG1-CD1 3.93Å; V255-F285 HydrophobicContact CG1-CD2 3.66Å; V255-F285 HydrophobicContact CG1-CE1 4.15Å; V255-F285 HydrophobicContact CG1-CE2 3.91Å; V255-F285 HydrophobicContact CG1-CG 3.67Å; V255-F285 HydrophobicContact CG1-CZ 4.15Å; V255-F285 HydrophobicContact CG2-CB 4.06Å; V255-F285 HydrophobicContact CG2-CD2 4.06Å; V255-F285 HydrophobicContact CG2-CG 4.17Å; F257-F285 AromaticContact CE1-CE1 3.78Å; F257-F285 HydrophobicContact CE1-CE1 3.78Å; F257-F285 AromaticContact CE1-CZ 3.61Å; F257-F285 HydrophobicContact CE1-CZ 3.61Å; F257-F285 HydrophobicContact CZ-CE1 4.15Å; F257-F285 HydrophobicContact CZ-CE2 4.17Å; F257-F285 AromaticContact CZ-CZ 3.62Å; F257-F285 HydrophobicContact CZ-CZ 3.62Å; V281-F285 HydrophobicContact CG1-CD2 3.81Å; V281-F285 HydrophobicContact CG1-CE2 3.81Å; V281-F285 WeakPolarHBondContact O-CD2 3.49Å; V281-F285 PolarHBondContact O-N 3.06Å; V281-F285 VanDerWaalsContact O-N 3.09Å; Y282-F285 PolarHBondContact O-N 2.02Å; F285-G287 VanDerWaalsContact C-N 3.33Å; F285-F288 HydrophobicContact CD1-CD2 4.04Å; F285-F288 AromaticContact CD1-CE2 3.98Å; F285-F288 HydrophobicContact CD1-CE2 3.98Å; F285-F288 HydrophobicContact CD2-CE2 4.24Å; F285-F288 HydrophobicContact CE1-CD2 4.48Å; F285-F288 HydrophobicContact CE1-CE2 4.11Å; F285-F288 HydrophobicContact CE2-CE2 4.35Å; F285-F288 HydrophobicContact CG-CD2 4.27Å; F285-F288 HydrophobicContact CG-CE2 4.07Å; F285-F288 HydrophobicContact CZ-CE2 4.29Å
286	K	94	Very high	90.4	Very high	83 Å²	83	64 Å²	64	36%	0.361	34%	0.342	S	S	.	.	H	α-helix	trans	-67.7	-35.7	171.9	-179.9	173.5	150.8	-128.8	0	111.7	Y248 Y282 E283 H284 I289	Y248-K286 HydrophobicContact CD2-CB 4.26Å; Y248-K286 HydrophobicContact CD2-CG 4.45Å; Y248-K286 HydrophobicContact CE2-CB 4.31Å; Y248-K286 HydrophobicContact CE2-CD 4.36Å; Y248-K286 HydrophobicContact CE2-CG 4.06Å; Y282-K286 HydrophobicContact CE1-CD 3.65Å; Y282-K286 VanDerWaalsContact O-CB 3.24Å; Y282-K286 WeakPolarHBondContact O-CB 2.9Å; Y282-K286 PolarHBondContact O-N 3.45Å; E283-K286 IonicContact OE1-NZ 2.63Å; E283-K286 PolarHBondContact OE1-NZ 3.39Å; E283-K286 IonicContact OE2-NZ 3.85Å; E283-K286 PolarHBondContact OE2-NZ 3.22Å; H284-K286 VanDerWaalsContact C-N 3.3Å; H284-K286 PolarHBondContact O-N 3.3Å; K286-I289 WeakPolarHBondContact O-CB 3.46Å; K286-I289 WeakPolarHBondContact O-CD1 3.37Å; K286-I289 PolarHBondContact O-N 3.08Å
287	G	92.5	Very high	90	Very high	60 Å²	60	67 Å²	67	62%	0.619	36%	0.358	S	S	*	.	H	α-helix	trans	-71.3	-24.1	178.1	0	0	0	0	0	114.4	E283 H284 F285 I289	E283-G287 WeakPolarHBondContact O-CA 3.42Å; E283-G287 PolarHBondContact O-N 3.01Å; H284-G287 CarbonylContact O-C 3.39Å; H284-G287 WeakPolarHBondContact O-CA 3.41Å; H284-G287 PolarHBondContact O-N 3.01Å; F285-G287 VanDerWaalsContact C-N 3.33Å; G287-I289 PolarHBondContact O-N 3.39Å
288	F	90.8	Very high	89.6	Confident	23 Å²	23	66.1 Å²	66.1	10%	0.101	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-9.6	174	-61.7	-21.7	0	0	0	113.6	W72 F230 E231 V232 W246 H284 F285	W72-F288 AromaticContact CE2-CZ 3.96Å; W72-F288 HydrophobicContact CZ2-CE2 4.37Å; W72-F288 AromaticContact CZ2-CZ 3.95Å; W72-F288 HydrophobicContact CZ2-CZ 3.95Å; W72-F288 AromaticContact NE1-CZ 3.83Å; F230-F288 HydrophobicContact CB-CB 4.08Å; F230-F288 VanDerWaalsContact CB-O 3.29Å; F230-F288 WeakPolarHBondContact CB-O 3.42Å; F230-F288 HydrophobicContact CD2-CB 3.77Å; F230-F288 HydrophobicContact CD2-CD1 4.26Å; F230-F288 AromaticContact CD2-CD2 3.88Å; F230-F288 HydrophobicContact CD2-CD2 3.88Å; F230-F288 AromaticContact CD2-CG 3.72Å; F230-F288 HydrophobicContact CD2-CG 3.72Å; F230-F288 HydrophobicContact CE2-CB 4.46Å; F230-F288 AromaticContact CE2-CD2 3.78Å; F230-F288 HydrophobicContact CE2-CD2 3.78Å; F230-F288 HydrophobicContact CE2-CE2 4.21Å; F230-F288 HydrophobicContact CE2-CG 4.12Å; F230-F288 HydrophobicContact CG-CB 4.15Å; E231-F288 WeakPolarHBondContact O-CD1 3.48Å; E231-F288 WeakPolarHBondContact O-CE1 3.25Å; V232-F288 HydrophobicContact CB-CE1 4.43Å; V232-F288 HydrophobicContact CB-CZ 4.31Å; V232-F288 HydrophobicContact CG1-CE1 4.4Å; V232-F288 HydrophobicContact CG1-CZ 4.01Å; V232-F288 HydrophobicContact CG2-CE1 3.99Å; V232-F288 HydrophobicContact CG2-CE2 4.02Å; V232-F288 HydrophobicContact CG2-CZ 3.7Å; W246-F288 HydrophobicContact CH2-CB 4.21Å; W246-F288 HydrophobicContact CH2-CD2 4.33Å; W246-F288 HydrophobicContact CZ2-CB 4.44Å; W246-F288 HydrophobicContact CZ2-CD2 4.23Å; H284-F288 HydrophobicContact CB-CZ 4.24Å; H284-F288 VanDerWaalsContact O-CD1 3.26Å; H284-F288 WeakPolarHBondContact O-CD1 3.47Å; H284-F288 WeakPolarHBondContact O-CG 3.36Å; H284-F288 PolarHBondContact O-N 2.99Å; F285-F288 HydrophobicContact CD1-CD2 4.04Å; F285-F288 AromaticContact CD1-CE2 3.98Å; F285-F288 HydrophobicContact CD1-CE2 3.98Å; F285-F288 HydrophobicContact CD2-CE2 4.24Å; F285-F288 HydrophobicContact CE1-CD2 4.48Å; F285-F288 HydrophobicContact CE1-CE2 4.11Å; F285-F288 HydrophobicContact CE2-CE2 4.35Å; F285-F288 HydrophobicContact CG-CD2 4.27Å; F285-F288 HydrophobicContact CG-CE2 4.07Å; F285-F288 HydrophobicContact CZ-CE2 4.29Å
289	I	78.4	Confident	89.2	Confident	34 Å²	34	68.2 Å²	68.2	17%	0.174	37%	0.369	C	S	.	.			trans	-100.3	124.6	-166.2	-60	160	0	0	0	110.7	L225 W246 Y248 K286 G287 I292	L225-I289 HydrophobicContact CD1-CD1 4.19Å; L225-I289 HydrophobicContact CD1-CG1 3.82Å; L225-I289 HydrophobicContact CD2-CB 4.12Å; L225-I289 HydrophobicContact CD2-CD1 3.65Å; L225-I289 HydrophobicContact CD2-CG1 3.55Å; L225-I289 HydrophobicContact CD2-CG2 3.49Å; L225-I289 VanDerWaalsContact CD2-CG2 3.49Å; L225-I289 HydrophobicContact CG-CG1 4.34Å; W246-I289 HydrophobicContact CH2-CG1 4.33Å; Y248-I289 HydrophobicContact CD1-CD1 3.68Å; Y248-I289 HydrophobicContact CE1-CD1 2.88Å; Y248-I289 HydrophobicContact CE1-CG1 4.27Å; Y248-I289 HydrophobicContact CE2-CD1 4.39Å; Y248-I289 WeakPolarHBondContact OH-CD1 3.43Å; K286-I289 WeakPolarHBondContact O-CB 3.46Å; K286-I289 WeakPolarHBondContact O-CD1 3.37Å; K286-I289 PolarHBondContact O-N 3.08Å; G287-I289 PolarHBondContact O-N 3.39Å; I289-I292 HydrophobicContact CG2-CG1 4.36Å
290	K	76.4	Confident	88.8	Confident	156 Å²	156	67.6 Å²	67.6	68%	0.678	37%	0.366	S	S	*	.	S	Bend	trans	-95.1	-33	171.4	-60	-176.6	-179.1	177.9	0	112.2
291	K	84.3	Confident	88.3	Confident	125 Å²	125	66 Å²	66	54%	0.543	36%	0.364	S	S	.	.			trans	-155.7	140.3	-176.3	-164	170.9	-177.4	176.8	0	112.6	N226	N226-K291 HydrophobicContact CB-CB 4.29Å; N226-K291 HydrophobicContact CB-CG 4.31Å; N226-K291 PolarHBondContact N-O 2.95Å
292	I	85.8	Confident	87.8	Confident	57 Å²	57	70.4 Å²	70.4	29%	0.292	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-96.2	137.7	166.8	-59.2	175	0	0	0	107.3	I200 Q223 L225 I289 S294	I200-I292 HydrophobicContact CG1-CD1 4.23Å; I200-I292 HydrophobicContact CG2-CD1 4.14Å; I200-I292 HydrophobicContact CG2-CG1 4.14Å; Q223-I292 HydrophobicContact CB-CG2 4.06Å; L225-I292 HydrophobicContact CD2-CG1 4.26Å; I289-I292 HydrophobicContact CG2-CG1 4.36Å; I292-S294 PolarHBondContact O-N 3.28Å
293	E	85.5	Confident	87.1	Confident	48 Å²	48	74 Å²	74	22%	0.224	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-66	127.9	176.5	-173.7	-156.9	177.8	0	0	109.8	L207 K214 Y224 N226	L207-E293 HydrophobicContact CD1-CB 4.06Å; L207-E293 HydrophobicContact CD1-CG 3.52Å; L207-E293 WeakPolarHBondContact CD1-OE1 3.35Å; L207-E293 VanDerWaalsContact CD2-CD 3.43Å; L207-E293 HydrophobicContact CD2-CG 4.43Å; L207-E293 WeakPolarHBondContact CD2-OE2 3.5Å; K214-E293 WeakPolarHBondContact CE-OE2 3.36Å; K214-E293 VanDerWaalsContact NZ-C 3.27Å; K214-E293 PolarHBondContact NZ-O 2.76Å; K214-E293 IonicContact NZ-OE1 2.9Å; K214-E293 IonicContact NZ-OE2 2.81Å; K214-E293 PolarHBondContact NZ-OE2 2.91Å; Y224-E293 WeakPolarHBondContact O-CB 3.38Å; Y224-E293 PolarHBondContact O-N 2.74Å; N226-E293 HydrophobicContact CB-CB 3.95Å
294	S	84.5	Confident	86.4	Confident	88 Å²	88	73.2 Å²	73.2	62%	0.615	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-60.5	157.2	176.7	-56.2	0	0	0	0	112.2	K214 I292	K214-S294 PolarHBondContact NZ-O 2.71Å; I292-S294 PolarHBondContact O-N 3.28Å
295	C	83.7	Confident	85.6	Confident	55 Å²	55	75.8 Å²	75.8	37%	0.372	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-71.6	141.5	162.5	-83.7	0	0	0	0	109.6	C216	C216-C295 VanDerWaalsContact CA-SG 3.59Å; C216-C295 HydrophobicContact CB-CB 3.7Å; C216-C295 WeakPolarHBondContact CB-SG 3.38Å; C216-C295 VanDerWaalsContact SG-CA 3.59Å; C216-C295 WeakPolarHBondContact SG-CB 3.45Å; C216-C295 CovalentContact SG-SG 2.02Å; C216-C295 PolarHBondContact SG-SG 3.11Å
296	P	76.8	Confident	84.8	Confident	181 Å²	181	82.7 Å²	82.7	100%	1.175	47%	0.469	S	S	*	.			trans	-57	0	166	-16.3	29.2	0	0	0	111.4

Retrieved 296 of 296 residues in 294.1 ms (Link to these results)

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