A0A077ZE44_TRITR Loading...

Lipocalin domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZE44, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 252 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	35.5	Very low	39.2	Very low	249 Å²	249	144.9 Å²	144.9	100%	1.227	85%	0.853	S	S	*	*				0	139.2	0	-81.9	162.6	67.7	0	0	108.4
2	S	34.9	Very low	39.1	Very low	117 Å²	117	148.6 Å²	148.6	82%	0.818	85%	0.851	S	S	*	*			trans	-69.2	158.1	-165.6	-170.5	0	0	0	0	115
3	M	37.9	Very low	38.9	Very low	184 Å²	184	145.4 Å²	145.4	91%	0.906	84%	0.843	S	S	*	*			trans	-46.2	138.6	177	-73.6	148.4	58.3	0	0	115.5
4	G	38.8	Very low	38.9	Very low	81 Å²	81	148.1 Å²	148.1	84%	0.835	85%	0.851	S	S	*	*			trans	-139.4	98.7	156.1	0	0	0	0	0	108.9
5	S	40.4	Very low	38.8	Very low	107 Å²	107	149.7 Å²	149.7	75%	0.748	86%	0.855	S	S	*	*			trans	-112.3	119.6	172.1	177	0	0	0	0	107.4
6	T	40.8	Very low	38.8	Very low	131 Å²	131	146.3 Å²	146.3	80%	0.804	85%	0.85	S	S	*	*			trans	-131.6	108.1	175.4	-46.5	0	0	0	0	108.7
7	L	39.6	Very low	38.9	Very low	149 Å²	149	146.4 Å²	146.4	78%	0.78	85%	0.853	S	S	*	*			trans	-61.4	138	167.5	-100.5	97.9	0	0	0	111.3
8	L	41.5	Very low	38.8	Very low	144 Å²	144	141.4 Å²	141.4	75%	0.754	84%	0.839	S	S	*	*			trans	-155.6	88	153.7	-109.6	132.8	0	0	0	109.2
9	F	39.5	Very low	39	Very low	210 Å²	210	140.4 Å²	140.4	92%	0.921	84%	0.836	S	S	*	*			trans	-119.1	96.1	163.7	-89.4	-82.6	0	0	0	107.5
10	T	41.4	Very low	39	Very low	116 Å²	116	145.1 Å²	145.1	71%	0.712	84%	0.839	S	S	*	*			trans	-101.1	99.8	171.6	37.3	0	0	0	0	109.1	F12	T10-F12 PolarHBondContact O-N 3.46Å
11	A	41	Very low	39.2	Very low	106 Å²	106	146.3 Å²	146.3	88%	0.876	84%	0.837	S	S	*	*			trans	-72.8	115.2	166.6	0	0	0	0	0	109.4
12	F	37.6	Very low	39.5	Very low	189 Å²	189	141.2 Å²	141.2	83%	0.829	81%	0.813	S	S	*	*			trans	-107.5	131.8	167	-113.3	-96.8	0	0	0	107.7	T10	T10-F12 PolarHBondContact O-N 3.46Å
13	S	36.5	Very low	39.9	Very low	107 Å²	107	142.2 Å²	142.2	75%	0.748	81%	0.808	S	S	*	*			trans	134.5	87.3	150.4	-59.2	0	0	0	0	112.9
14	L	39.2	Very low	40.1	Very low	183 Å²	183	137.3 Å²	137.3	96%	0.958	79%	0.791	S	S	*	*			trans	-166.4	78.1	143.8	-106.9	137.3	0	0	0	109.2
15	L	37.5	Very low	40.5	Very low	173 Å²	173	141.9 Å²	141.9	91%	0.906	79%	0.794	S	S	*	*			trans	-109.9	109.4	162.3	-86.3	166.7	0	0	0	106.8
16	A	39.4	Very low	40.9	Very low	95 Å²	95	138.4 Å²	138.4	79%	0.785	78%	0.775	S	S	*	*			trans	169.8	68.1	146.4	0	0	0	0	0	111.8
17	V	39.9	Very low	41.3	Very low	147 Å²	147	140 Å²	140	89%	0.891	77%	0.773	S	S	*	*			trans	-137.3	97	145.6	-171.5	0	0	0	0	106.3
18	G	37.6	Very low	42.1	Very low	58 Å²	58	139.4 Å²	139.4	60%	0.598	77%	0.771	S	S	*	*			trans	-61.3	146.3	176.9	0	0	0	0	0	111	R20	G18-R20 PolarHBondContact O-N 3.14Å; G18-R20 VanDerWaalsContact O-N 3.14Å
19	P	42	Very low	42.6	Very low	122 Å²	122	138.8 Å²	138.8	79%	0.792	77%	0.768	S	S	*	*			trans	-66.6	116.9	179.3	26.9	-31.2	0	0	0	108.7	Q21	P19-Q21 PolarHBondContact O-N 2.96Å
20	R	40	Very low	43.4	Very low	234 Å²	234	134.3 Å²	134.3	88%	0.883	75%	0.753	S	S	*	*			trans	-57.8	106.7	159.8	-75.5	-177	173.4	174	-1.8	106.3	G18 I22	G18-R20 PolarHBondContact O-N 3.14Å; G18-R20 VanDerWaalsContact O-N 3.14Å; R20-I22 PolarHBondContact O-N 2.82Å
21	Q	43	Very low	44.9	Very low	171 Å²	171	132.1 Å²	132.1	80%	0.799	74%	0.737	S	S	*	*			trans	-64.1	94.4	165.5	-71.5	-166.3	-24.8	0	0	106.9	P19 I23	P19-Q21 PolarHBondContact O-N 2.96Å; Q21-I23 VanDerWaalsContact C-N 3.27Å; Q21-I23 PolarHBondContact O-N 2.87Å
22	I	40.1	Very low	46.5	Very low	141 Å²	141	130.5 Å²	130.5	72%	0.723	72%	0.719	S	S	*	*			trans	-69.9	97.9	163.7	-62	173	0	0	0	104	R20 C24	R20-I22 PolarHBondContact O-N 2.82Å; I22-C24 PolarHBondContact O-N 3.22Å
23	I	43.5	Very low	48.1	Very low	139 Å²	139	128 Å²	128	71%	0.713	71%	0.708	S	S	*	*			trans	-67.7	89.3	168.6	-57.7	170.1	0	0	0	105.1	Q21 I25	Q21-I23 VanDerWaalsContact C-N 3.27Å; Q21-I23 PolarHBondContact O-N 2.87Å; I23-I25 PolarHBondContact O-N 3.41Å
24	C	42.1	Very low	49.7	Very low	81 Å²	81	124.8 Å²	124.8	55%	0.547	68%	0.684	S	S	.	*			trans	-60.8	122.7	167.3	-66.1	0	0	0	0	106.7	I22 G26	I22-C24 PolarHBondContact O-N 3.22Å; C24-G26 PolarHBondContact O-N 2.86Å
25	I	47.1	Very low	51.4	Low	177 Å²	177	119.9 Å²	119.9	91%	0.908	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	86.8	172.3	-55.4	166.9	0	0	0	106.4	I23	I23-I25 PolarHBondContact O-N 3.41Å
26	G	48.6	Very low	52.9	Low	34 Å²	34	117.4 Å²	117.4	35%	0.351	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	176.5	-27.3	-171.6	0	0	0	0	0	115.8	C24 D28 L29	C24-G26 PolarHBondContact O-N 2.86Å; G26-D28 PolarHBondContact O-N 2.97Å; G26-L29 PolarHBondContact O-N 2.94Å
27	E	49.1	Very low	54.4	Low	164 Å²	164	113.7 Å²	113.7	77%	0.766	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-33	-178.8	-68.8	-169.1	158.6	0	0	113.2	L29 L30 N31	E27-L29 PolarHBondContact O-N 3.48Å; E27-L30 PolarHBondContact O-N 3.47Å; E27-N31 PolarHBondContact O-N 3.4Å
28	D	58.4	Low	55.8	Low	136 Å²	136	108.4 Å²	108.4	73%	0.727	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-72.7	-28.9	-178.8	-125	-3.1	0	0	0	112.8	G26 L30 N31	G26-D28 PolarHBondContact O-N 2.97Å; D28-L30 PolarHBondContact O-N 3.4Å; D28-N31 PolarHBondContact O-N 3.47Å
29	L	50.7	Low	57.4	Low	132 Å²	132	110.6 Å²	110.6	69%	0.691	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-69.5	-20.9	-179.6	-69.3	174.2	0	0	0	112.8	G26 E27	G26-L29 PolarHBondContact O-N 2.94Å; E27-L29 PolarHBondContact O-N 3.48Å
30	L	57.4	Low	58.8	Low	115 Å²	115	106.1 Å²	106.1	60%	0.602	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-122.5	35.5	176.8	-65.3	175.6	0	0	0	112	E27 D28 S32	E27-L30 PolarHBondContact O-N 3.47Å; D28-L30 PolarHBondContact O-N 3.4Å; L30-S32 PolarHBondContact O-N 3.47Å
31	N	72.6	Confident	60.2	Low	70 Å²	70	95.3 Å²	95.3	37%	0.374	52%	0.517	S	S	.	.			trans	-52.7	139.6	167.6	-172.8	-26.9	0	0	0	109.6	E27 D28 K33 T34 L35	E27-N31 PolarHBondContact O-N 3.4Å; D28-N31 PolarHBondContact O-N 3.47Å; N31-K33 PolarHBondContact O-N 3.47Å; N31-K33 PolarHBondContact OD1-N 3.46Å; N31-T34 WeakPolarHBondContact O-CA 3.2Å; N31-T34 WeakPolarHBondContact O-CB 3.48Å; N31-T34 PolarHBondContact O-N 3.04Å; N31-L35 PolarHBondContact O-N 2.86Å
32	S	73.2	Confident	61.6	Low	73 Å²	73	91.7 Å²	91.7	51%	0.51	50%	0.499	S	S	.	.	H	α-helix	trans	-41.5	-38.4	178.3	61.9	0	0	0	0	114.5	L30 L36	L30-S32 PolarHBondContact O-N 3.47Å; S32-L36 VanDerWaalsContact O-CB 3.27Å; S32-L36 WeakPolarHBondContact O-CB 3.39Å; S32-L36 WeakPolarHBondContact O-CD1 3.34Å; S32-L36 WeakPolarHBondContact O-CG 3.37Å; S32-L36 PolarHBondContact O-N 2.87Å
33	K	72.9	Confident	63.1	Low	136 Å²	136	88 Å²	88	59%	0.591	49%	0.486	S	S	*	.	H	α-helix	trans	-67.4	-43.6	176.5	-68.2	-176.5	179.2	179.3	0	112.7	N31 G37	N31-K33 PolarHBondContact O-N 3.47Å; N31-K33 PolarHBondContact OD1-N 3.46Å; K33-G37 PolarHBondContact O-N 2.86Å
34	T	70.2	Confident	64.5	Low	40 Å²	40	84.4 Å²	84.4	25%	0.245	47%	0.466	C	S	.	.	H	α-helix	trans	-63.9	-45.4	174.8	-50.8	0	0	0	0	110.1	N31 G37 L38	N31-T34 WeakPolarHBondContact O-CA 3.2Å; N31-T34 WeakPolarHBondContact O-CB 3.48Å; N31-T34 PolarHBondContact O-N 3.04Å; T34-G37 CarbonylContact O-C 3.55Å; T34-G37 PolarHBondContact O-N 3.45Å; T34-L38 HydrophobicContact CG2-CD1 4.25Å; T34-L38 VanDerWaalsContact O-CG 3.29Å; T34-L38 WeakPolarHBondContact O-CG 3.27Å; T34-L38 PolarHBondContact O-N 2.86Å
35	L	73.6	Confident	65.9	Low	80 Å²	80	81.7 Å²	81.7	42%	0.419	45%	0.445	S	S	.	.	H	α-helix	trans	-63	-47.4	178	-178.3	63.3	0	0	0	112.1	N31 G37 L38 L39	N31-L35 PolarHBondContact O-N 2.86Å; L35-G37 VanDerWaalsContact C-N 3.26Å; L35-G37 PolarHBondContact O-N 3.42Å; L35-L38 PolarHBondContact O-N 3.13Å; L35-L39 HydrophobicContact CD1-CG 4.46Å; L35-L39 HydrophobicContact CG-CD1 4.23Å; L35-L39 WeakPolarHBondContact O-CB 3.38Å; L35-L39 VanDerWaalsContact O-CG 3.31Å; L35-L39 WeakPolarHBondContact O-CG 3.35Å; L35-L39 PolarHBondContact O-N 3.17Å
36	L	69.4	Low	67.3	Low	121 Å²	121	80.4 Å²	80.4	63%	0.634	43%	0.434	S	S	*	.	H	α-helix	trans	-60.8	-38.7	174.4	-75.4	167.8	0	0	0	111.4	S32 L39 G40	S32-L36 VanDerWaalsContact O-CB 3.27Å; S32-L36 WeakPolarHBondContact O-CB 3.39Å; S32-L36 WeakPolarHBondContact O-CD1 3.34Å; S32-L36 WeakPolarHBondContact O-CG 3.37Å; S32-L36 PolarHBondContact O-N 2.87Å; L36-L39 PolarHBondContact O-N 3.03Å; L36-G40 PolarHBondContact O-N 3.05Å
37	G	70.1	Confident	68.7	Low	17 Å²	17	82.7 Å²	82.7	18%	0.175	44%	0.435	C	S	.	.	H	α-helix	trans	-60.8	-46.2	173.8	0	0	0	0	0	113.1	K33 T34 L35 G40 G41 Y197	K33-G37 PolarHBondContact O-N 2.86Å; T34-G37 CarbonylContact O-C 3.55Å; T34-G37 PolarHBondContact O-N 3.45Å; L35-G37 VanDerWaalsContact C-N 3.26Å; L35-G37 PolarHBondContact O-N 3.42Å; G37-G40 PolarHBondContact O-N 3.38Å; G37-G41 PolarHBondContact O-N 3.08Å; G37-Y197 VanDerWaalsContact CA-CD2 3.47Å
38	L	70.6	Confident	70.2	Confident	36 Å²	36	84.3 Å²	84.3	19%	0.188	44%	0.439	C	S	.	.	H	α-helix	trans	-64.4	-47.2	175.9	-70	169.2	0	0	0	111	T34 L35 G40 G41 F42 W200	T34-L38 HydrophobicContact CG2-CD1 4.25Å; T34-L38 VanDerWaalsContact O-CG 3.29Å; T34-L38 WeakPolarHBondContact O-CG 3.27Å; T34-L38 PolarHBondContact O-N 2.86Å; L35-L38 PolarHBondContact O-N 3.13Å; L38-G40 VanDerWaalsContact C-N 3.33Å; L38-G40 PolarHBondContact O-N 3.41Å; L38-G41 WeakPolarHBondContact O-CA 3.29Å; L38-G41 PolarHBondContact O-N 2.82Å; L38-G41 VanDerWaalsContact O-N 3.12Å; L38-F42 HydrophobicContact CB-CE2 4.33Å; L38-F42 WeakPolarHBondContact O-CD2 3.46Å; L38-F42 PolarHBondContact O-N 3.48Å; L38-W200 HydrophobicContact CD2-CH2 3.5Å; L38-W200 HydrophobicContact CD2-CZ3 3.71Å
39	L	71.1	Confident	71.6	Confident	104 Å²	104	79 Å²	79	55%	0.545	41%	0.41	S	S	.	.	H	α-helix	trans	-59.8	-42.3	176.9	-71.3	174.1	0	0	0	111.9	L35 L36 F42 S43	L35-L39 HydrophobicContact CD1-CG 4.46Å; L35-L39 HydrophobicContact CG-CD1 4.23Å; L35-L39 WeakPolarHBondContact O-CB 3.38Å; L35-L39 VanDerWaalsContact O-CG 3.31Å; L35-L39 WeakPolarHBondContact O-CG 3.35Å; L35-L39 PolarHBondContact O-N 3.17Å; L36-L39 PolarHBondContact O-N 3.03Å; L39-F42 PolarHBondContact O-N 2.97Å; L39-S43 PolarHBondContact O-N 3.39Å
40	G	71	Confident	73.3	Confident	28 Å²	28	80.6 Å²	80.6	29%	0.289	41%	0.414	S	S	.	.	H	α-helix	trans	-61.6	-44.9	172.1	0	0	0	0	0	112	L36 G37 L38 F42 S43 H44	L36-G40 PolarHBondContact O-N 3.05Å; G37-G40 PolarHBondContact O-N 3.38Å; L38-G40 VanDerWaalsContact C-N 3.33Å; L38-G40 PolarHBondContact O-N 3.41Å; G40-F42 PolarHBondContact O-N 3.44Å; G40-S43 WeakPolarHBondContact O-CB 3.4Å; G40-S43 PolarHBondContact O-N 3.38Å; G40-H44 PolarHBondContact O-CD2 3.47Å; G40-H44 PolarHBondContact O-N 3.4Å
41	G	69.1	Low	74.9	Confident	6 Å²	6	79 Å²	79	6%	0.062	40%	0.4	C	S	.	.	H	α-helix	trans	-57.5	-46.7	175.2	0	0	0	0	0	113.2	G37 L38 H44 M45 S198	G37-G41 PolarHBondContact O-N 3.08Å; L38-G41 WeakPolarHBondContact O-CA 3.29Å; L38-G41 PolarHBondContact O-N 2.82Å; L38-G41 VanDerWaalsContact O-N 3.12Å; G41-H44 PolarHBondContact O-N 3.42Å; G41-M45 PolarHBondContact O-N 3.25Å; G41-S198 WeakPolarHBondContact CA-OG 3.46Å
42	F	72	Confident	75.9	Confident	95 Å²	95	79 Å²	79	42%	0.417	40%	0.398	S	S	.	.	H	α-helix	trans	-65.1	-37	174.6	-72.7	-65.5	0	0	0	112.4	L38 L39 G40 M45 F46 W200	L38-F42 HydrophobicContact CB-CE2 4.33Å; L38-F42 WeakPolarHBondContact O-CD2 3.46Å; L38-F42 PolarHBondContact O-N 3.48Å; L39-F42 PolarHBondContact O-N 2.97Å; G40-F42 PolarHBondContact O-N 3.44Å; F42-M45 HydrophobicContact CD1-CE 4.02Å; F42-M45 HydrophobicContact CD1-SD 4.37Å; F42-M45 HydrophobicContact CE1-CE 4.23Å; F42-M45 VanDerWaalsContact O-CB 3.28Å; F42-M45 WeakPolarHBondContact O-CB 3.47Å; F42-M45 PolarHBondContact O-N 2.87Å; F42-F46 VanDerWaalsContact O-CD2 3.22Å; F42-F46 WeakPolarHBondContact O-CD2 3.03Å; F42-W200 HydrophobicContact CE1-CH2 4.38Å; F42-W200 HydrophobicContact CE1-CZ2 4.27Å; F42-W200 HydrophobicContact CE2-CH2 4.15Å; F42-W200 AromaticContact CZ-CH2 3.89Å; F42-W200 HydrophobicContact CZ-CH2 3.89Å; F42-W200 HydrophobicContact CZ-CZ2 4.22Å
43	S	72.6	Confident	76.9	Confident	64 Å²	64	80.6 Å²	80.6	45%	0.448	40%	0.397	S	S	.	.	H	α-helix	trans	-62.5	-46.3	175.5	-172.4	0	0	0	0	111.5	L39 G40 M45 F46 Q47	L39-S43 PolarHBondContact O-N 3.39Å; G40-S43 WeakPolarHBondContact O-CB 3.4Å; G40-S43 PolarHBondContact O-N 3.38Å; S43-M45 VanDerWaalsContact C-N 3.29Å; S43-M45 PolarHBondContact O-N 2.86Å; S43-F46 PolarHBondContact O-N 3.46Å; S43-Q47 WeakPolarHBondContact O-CG 3.31Å; S43-Q47 PolarHBondContact O-N 3.12Å; S43-Q47 PolarHBondContact OG-NE2 3.48Å
44	H	72.9	Confident	78	Confident	64 Å²	64	74.7 Å²	74.7	30%	0.296	37%	0.372	S	S	.	.	H	α-helix	trans	-65.2	-31.3	177.4	-72.8	-58.2	0	0	0	113.2	G40 G41 F46 Q47 R164	G40-H44 PolarHBondContact O-CD2 3.47Å; G40-H44 PolarHBondContact O-N 3.4Å; G41-H44 PolarHBondContact O-N 3.42Å; H44-F46 PolarHBondContact O-N 2.85Å; H44-Q47 PolarHBondContact ND1-OE1 2.96Å; H44-Q47 PolarHBondContact O-N 3.31Å; H44-R164 PolarHBondContact O-NE 3.33Å; H44-R164 PolarHBondContact O-NH1 3.41Å
45	M	71.9	Confident	79.2	Confident	23 Å²	23	75.7 Å²	75.7	11%	0.113	38%	0.375	C	S	.	.	H	α-helix	trans	-52.9	-39	176.8	-168.8	-178.5	-74.2	0	0	112.5	G41 F42 S43 N163 I165 W200	G41-M45 PolarHBondContact O-N 3.25Å; F42-M45 HydrophobicContact CD1-CE 4.02Å; F42-M45 HydrophobicContact CD1-SD 4.37Å; F42-M45 HydrophobicContact CE1-CE 4.23Å; F42-M45 VanDerWaalsContact O-CB 3.28Å; F42-M45 WeakPolarHBondContact O-CB 3.47Å; F42-M45 PolarHBondContact O-N 2.87Å; S43-M45 VanDerWaalsContact C-N 3.29Å; S43-M45 PolarHBondContact O-N 2.86Å; M45-N163 WeakPolarHBondContact CA-O 3.5Å; M45-N163 HydrophobicContact CG-CB 3.94Å; M45-N163 WeakPolarHBondContact CG-O 3.48Å; M45-N163 CarbonylContact O-C 3.59Å; M45-N163 VanDerWaalsContact O-CA 3.29Å; M45-N163 WeakPolarHBondContact O-CA 3.33Å; M45-I165 HydrophobicContact CE-CD1 4.42Å; M45-I165 HydrophobicContact CE-CG1 4.14Å; M45-I165 HydrophobicContact CG-CG1 4.44Å; M45-I165 HydrophobicContact SD-CD1 4.24Å; M45-I165 HydrophobicContact SD-CG1 4.38Å; M45-W200 HydrophobicContact CE-CZ2 4.34Å
46	F	75.4	Confident	80.2	Confident	151 Å²	151	72.5 Å²	72.5	66%	0.662	36%	0.36	S	S	*	.	H	α-helix	trans	-101.1	-3.1	-176.4	-58.7	-72	0	0	0	114.1	F42 S43 H44	F42-F46 VanDerWaalsContact O-CD2 3.22Å; F42-F46 WeakPolarHBondContact O-CD2 3.03Å; S43-F46 PolarHBondContact O-N 3.46Å; H44-F46 PolarHBondContact O-N 2.85Å
47	Q	78.7	Confident	81.5	Confident	82 Å²	82	71.1 Å²	71.1	38%	0.383	35%	0.353	S	S	.	.	S	Bend	trans	-72.4	139.7	176.4	-77.5	170.2	9.1	0	0	110.3	S43 H44 R164	S43-Q47 WeakPolarHBondContact O-CG 3.31Å; S43-Q47 PolarHBondContact O-N 3.12Å; S43-Q47 PolarHBondContact OG-NE2 3.48Å; H44-Q47 PolarHBondContact ND1-OE1 2.96Å; H44-Q47 PolarHBondContact O-N 3.31Å; Q47-R164 VanDerWaalsContact C-NH2 3.31Å; Q47-R164 VanDerWaalsContact CB-NH2 3.34Å; Q47-R164 PolarHBondContact O-NH2 3.48Å
48	K	81.4	Confident	82.9	Confident	197 Å²	197	73.2 Å²	73.2	86%	0.857	36%	0.357	S	S	*	.			trans	-65.9	144.7	167.9	-67	-174.7	178.3	-178.3	0	109.6	R164	K48-R164 PolarHBondContact O-NH2 3.28Å
49	F	86	Confident	84.2	Confident	24 Å²	24	71.6 Å²	71.6	11%	0.105	35%	0.349	C	S	.	.			trans	-126.3	156.8	171.9	58.9	-85.1	0	0	0	109.3	R51 F142 F144 T160 R164	F49-R51 HydrophobicContact CD2-CG 4.32Å; F49-R51 HydrophobicContact CE2-CG 4.07Å; F49-F142 HydrophobicContact CE2-CB 4.23Å; F49-F142 HydrophobicContact CZ-CB 4.11Å; F49-F142 AromaticContact CZ-CD2 3.8Å; F49-F142 HydrophobicContact CZ-CD2 3.8Å; F49-F142 HydrophobicContact CZ-CG 4.48Å; F49-F144 HydrophobicContact CB-CE2 4.27Å; F49-F144 AromaticContact CD2-CD2 3.56Å; F49-F144 HydrophobicContact CD2-CD2 3.56Å; F49-F144 HydrophobicContact CD2-CE2 4.07Å; F49-F144 AromaticContact CE2-CD2 3.95Å; F49-F144 HydrophobicContact CE2-CD2 3.95Å; F49-F144 HydrophobicContact CG-CD2 4.25Å; F49-F144 HydrophobicContact CG-CE2 4.36Å; F49-T160 HydrophobicContact CE1-CG2 4.31Å; F49-T160 HydrophobicContact CE2-CG2 3.62Å; F49-T160 HydrophobicContact CZ-CG2 3.41Å; F49-T160 VanDerWaalsContact CZ-CG2 3.41Å; F49-R164 HydrophobicContact CD1-CG 4.23Å; F49-R164 HydrophobicContact CE1-CG 4.14Å
50	E	87.4	Confident	85.4	Confident	166 Å²	166	68.9 Å²	68.9	78%	0.776	34%	0.335	S	S	*	.			trans	-68.8	138.1	175	-172.4	178.2	173.2	0	0	110.1
51	R	91.5	Very high	86.7	Confident	83 Å²	83	69.1 Å²	69.1	31%	0.313	34%	0.337	S	S	.	.			trans	-112.9	131.5	-179.9	-55.3	-177.8	-171.4	98	-8.3	108.4	F49 E127 I143	F49-R51 HydrophobicContact CD2-CG 4.32Å; F49-R51 HydrophobicContact CE2-CG 4.07Å; R51-E127 VanDerWaalsContact CD-OE1 3.27Å; R51-E127 WeakPolarHBondContact CD-OE1 3.28Å; R51-E127 IonicContact CZ-OE1 3Å; R51-E127 IonicContact NE-OE1 3.3Å; R51-E127 PolarHBondContact NE-OE1 3.24Å; R51-E127 IonicContact NH1-OE1 2.66Å; R51-E127 PolarHBondContact NH1-OE1 2.75Å; R51-E127 IonicContact NH2-OE1 3.09Å; R51-I143 WeakPolarHBondContact CA-O 3.45Å
52	H	93.1	Very high	88	Confident	70 Å²	70	72.6 Å²	72.6	32%	0.324	35%	0.35	S	S	.	.			trans	-91.5	121.8	-174.3	-157.9	82.9	0	0	0	110.8	G126 I143 V146	H52-G126 WeakPolarHBondContact O-CA 3.38Å; H52-I143 HydrophobicContact CB-CG2 4.16Å; H52-I143 PolarHBondContact N-O 3.02Å; H52-I143 WeakPolarHBondContact O-CB 3.32Å; H52-V146 WeakPolarHBondContact CD2-CG2 3.38Å; H52-V146 WeakPolarHBondContact NE2-CG2 3.36Å
53	E	94.4	Very high	89.3	Confident	105 Å²	105	68.2 Å²	68.2	49%	0.491	33%	0.331	S	S	.	.			trans	-71.3	131.9	170.6	-172.4	163.7	-160	0	0	110.5	R122 P125	E53-R122 IonicContact OE1-CZ 2.86Å; E53-R122 IonicContact OE1-NE 3.47Å; E53-R122 IonicContact OE1-NH2 3.42Å; E53-R122 PolarHBondContact OE1-NH2 3.36Å; E53-P125 HydrophobicContact CB-CB 3.96Å; E53-P125 HydrophobicContact CG-CB 4.18Å
54	I	95.5	Very high	90.5	Very high	12 Å²	12	66 Å²	66	6%	0.062	31%	0.313	C	S	.	.			trans	-106.4	143.7	179.5	65.3	171.1	0	0	0	111.4	V56 A59 L98 Y128 I143 V146 Y154 L157	I54-V56 PolarHBondContact O-N 3.4Å; I54-A59 HydrophobicContact CD1-CB 4.06Å; I54-L98 HydrophobicContact CD1-CD1 4.25Å; I54-Y128 WeakPolarHBondContact CG1-OH 3.29Å; I54-I143 HydrophobicContact CD1-CG1 4.46Å; I54-I143 HydrophobicContact CG2-CB 4.36Å; I54-I143 HydrophobicContact CG2-CG1 4.12Å; I54-I143 HydrophobicContact CG2-CG2 3.78Å; I54-V146 HydrophobicContact CG2-CG1 3.52Å; I54-Y154 HydrophobicContact CB-CE2 4.05Å; I54-Y154 HydrophobicContact CG2-CE2 4.46Å; I54-L157 HydrophobicContact CD1-CD1 4.44Å
55	D	95.9	Very high	91.7	Very high	61 Å²	61	62.9 Å²	62.9	33%	0.326	30%	0.299	S	S	.	.			trans	-75.5	112.4	160.6	-176	-17.4	0	0	0	108.7	D57 K58 A59 Y154	D55-D57 PolarHBondContact O-N 3.08Å; D55-D57 PolarHBondContact OD1-N 2.85Å; D55-D57 VanDerWaalsContact OD1-N 3.15Å; D55-K58 HydrophobicContact CB-CB 4.35Å; D55-K58 HydrophobicContact CB-CD 3.87Å; D55-K58 HydrophobicContact CB-CG 3.92Å; D55-K58 PolarHBondContact O-N 3.26Å; D55-K58 VanDerWaalsContact O-N 3.15Å; D55-K58 WeakPolarHBondContact OD2-CE 3.45Å; D55-K58 IonicContact OD2-NZ 2.84Å; D55-K58 PolarHBondContact OD2-NZ 3Å; D55-A59 PolarHBondContact O-N 3.46Å; D55-Y154 HydrophobicContact CB-CE2 4.44Å; D55-Y154 PolarHBondContact N-OH 3.45Å; D55-Y154 WeakPolarHBondContact O-CE2 3.27Å
56	V	95.2	Very high	92.9	Very high	14 Å²	14	61.8 Å²	61.8	9%	0.085	29%	0.294	C	S	.	.	H	α-helix	trans	-57.2	-37.3	-174.8	168.2	0	0	0	0	112	I54 K58 A59 L60 R89 L98	I54-V56 PolarHBondContact O-N 3.4Å; V56-K58 VanDerWaalsContact C-N 3.29Å; V56-K58 PolarHBondContact O-N 3Å; V56-A59 PolarHBondContact O-N 3.14Å; V56-A59 VanDerWaalsContact O-N 3.14Å; V56-L60 HydrophobicContact CG1-CD2 4.18Å; V56-L60 WeakPolarHBondContact O-CG 3.21Å; V56-L60 PolarHBondContact O-N 3.46Å; V56-R89 HydrophobicContact CG1-CG 3.88Å; V56-L98 HydrophobicContact CG1-CD2 3.66Å; V56-L98 HydrophobicContact CG1-CG 4.45Å
57	D	96.7	Very high	93.8	Very high	91 Å²	91	55.2 Å²	55.2	49%	0.487	27%	0.265	S	S	.	.	H	α-helix	trans	-64.6	-36.8	-178	-74.7	-44.1	0	0	0	112	D55 A59 L60 R89	D55-D57 PolarHBondContact O-N 3.08Å; D55-D57 PolarHBondContact OD1-N 2.85Å; D55-D57 VanDerWaalsContact OD1-N 3.15Å; D57-A59 PolarHBondContact O-N 2.88Å; D57-L60 PolarHBondContact O-N 3.31Å; D57-R89 IonicContact OD1-CZ 3.74Å; D57-R89 IonicContact OD1-NE 3.56Å; D57-R89 PolarHBondContact OD1-NE 2.85Å; D57-R89 IonicContact OD1-NH2 3.83Å; D57-R89 PolarHBondContact OD1-NH2 2.87Å; D57-R89 IonicContact OD2-CZ 2.66Å; D57-R89 IonicContact OD2-NH2 3.88Å; D57-R89 PolarHBondContact OD2-NH2 2.82Å
58	K	97.9	Very high	94.5	Very high	61 Å²	61	51.5 Å²	51.5	27%	0.265	25%	0.247	S	C	.	.	H	α-helix	trans	-73.2	-15.4	179.4	-55.4	-174	-178.4	130.7	0	112.9	D55 V56 V149 G152 S153 Y154 R172	D55-K58 HydrophobicContact CB-CB 4.35Å; D55-K58 HydrophobicContact CB-CD 3.87Å; D55-K58 HydrophobicContact CB-CG 3.92Å; D55-K58 PolarHBondContact O-N 3.26Å; D55-K58 VanDerWaalsContact O-N 3.15Å; D55-K58 WeakPolarHBondContact OD2-CE 3.45Å; D55-K58 IonicContact OD2-NZ 2.84Å; D55-K58 PolarHBondContact OD2-NZ 3Å; V56-K58 VanDerWaalsContact C-N 3.29Å; V56-K58 PolarHBondContact O-N 3Å; K58-V149 HydrophobicContact CD-CG1 3.98Å; K58-V149 HydrophobicContact CD-CG2 3.78Å; K58-G152 WeakPolarHBondContact CG-O 3.48Å; K58-S153 WeakPolarHBondContact O-CA 3.33Å; K58-Y154 HydrophobicContact CB-CD2 3.55Å; K58-Y154 HydrophobicContact CB-CE2 3.5Å; K58-Y154 VanDerWaalsContact CB-CE2 3.5Å; K58-Y154 HydrophobicContact CB-CG 4.23Å; K58-Y154 HydrophobicContact CD-CE2 4.38Å; K58-Y154 HydrophobicContact CG-CE2 4.48Å; K58-Y154 PolarHBondContact O-N 3.14Å; K58-Y154 VanDerWaalsContact O-N 3.09Å; K58-R172 PolarHBondContact O-NH2 3.39Å
59	A	97.5	Very high	94.9	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.017	21%	0.206	C	C	.	.	H	α-helix	trans	-93.2	-11.5	178.8	0	0	0	0	0	113.6	I54 D55 V56 D57 W63 V87 Y154	I54-A59 HydrophobicContact CD1-CB 4.06Å; D55-A59 PolarHBondContact O-N 3.46Å; V56-A59 PolarHBondContact O-N 3.14Å; V56-A59 VanDerWaalsContact O-N 3.14Å; D57-A59 PolarHBondContact O-N 2.88Å; A59-W63 PolarHBondContact O-NE1 2.9Å; A59-V87 WeakPolarHBondContact O-CB 3.41Å; A59-V87 WeakPolarHBondContact O-CG1 3.07Å; A59-Y154 HydrophobicContact CB-CD2 4.41Å
60	L	97.8	Very high	94.5	Very high	48 Å²	48	42.3 Å²	42.3	25%	0.251	21%	0.213	S	C	.	.			trans	-70.8	158.6	-176.2	-55.5	-176.9	0	0	0	112.9	V56 D57 V87 R89 L98 R172	V56-L60 HydrophobicContact CG1-CD2 4.18Å; V56-L60 WeakPolarHBondContact O-CG 3.21Å; V56-L60 PolarHBondContact O-N 3.46Å; D57-L60 PolarHBondContact O-N 3.31Å; L60-V87 WeakPolarHBondContact CA-O 3.43Å; L60-V87 HydrophobicContact CD2-CG1 4.28Å; L60-R89 HydrophobicContact CD1-CG 3.99Å; L60-R89 HydrophobicContact CD2-CG 3.91Å; L60-L98 HydrophobicContact CD2-CD2 3.9Å; L60-R172 VanDerWaalsContact O-CZ 3.27Å; L60-R172 PolarHBondContact O-NH1 2.76Å; L60-R172 PolarHBondContact O-NH2 3.03Å
61	G	97.2	Very high	93.9	Very high	33 Å²	33	35.8 Å²	35.8	34%	0.34	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	95.5	-156.1	173.6	0	0	0	0	0	114	W63 Y86 V87	G61-W63 VanDerWaalsContact O-CD1 3.3Å; G61-Y86 WeakPolarHBondContact O-CA 3.34Å; G61-V87 PolarHBondContact N-O 2.7Å; G61-V87 PolarHBondContact O-N 2.65Å
62	K	98	Very high	93.2	Very high	78 Å²	78	31.8 Å²	31.8	34%	0.339	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	140.4	-171.4	-170.1	179.2	-176.2	-173.4	0	112.5	H64 V84 A85 Y86 R172	K62-H64 VanDerWaalsContact CE-NE2 3.3Å; K62-H64 WeakPolarHBondContact CE-NE2 3.17Å; K62-V84 HydrophobicContact CD-CG2 4.33Å; K62-V84 VanDerWaalsContact CE-CG2 3.49Å; K62-V84 HydrophobicContact CG-CG2 3.93Å; K62-A85 CarbonylContact C-O 3.56Å; K62-Y86 HydrophobicContact CB-CD1 3.99Å; K62-Y86 HydrophobicContact CB-CE1 3.81Å; K62-Y86 HydrophobicContact CD-CE1 3.93Å; K62-Y86 HydrophobicContact CG-CD1 4.16Å; K62-Y86 HydrophobicContact CG-CE1 3.64Å; K62-R172 WeakPolarHBondContact O-CD 3.46Å; K62-R172 PolarHBondContact O-NH1 2.66Å
63	W	98.5	Very high	92.4	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.015	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	157.2	179.1	-71.2	94.5	0	0	0	110.1	A59 G61 V84 A85 V87 Y154 L157 F170 R172	A59-W63 PolarHBondContact O-NE1 2.9Å; G61-W63 VanDerWaalsContact O-CD1 3.3Å; W63-V84 CarbonylContact O-C 3.58Å; W63-V84 WeakPolarHBondContact O-CA 3.44Å; W63-V84 WeakPolarHBondContact O-CG2 3.09Å; W63-A85 HydrophobicContact CB-CB 4.06Å; W63-A85 PolarHBondContact N-O 3.41Å; W63-A85 PolarHBondContact O-N 3.31Å; W63-V87 VanDerWaalsContact CD1-CG2 3.45Å; W63-V87 HydrophobicContact CG-CG2 4.43Å; W63-Y154 WeakPolarHBondContact CH2-O 2.94Å; W63-L157 HydrophobicContact CH2-CB 4.07Å; W63-L157 HydrophobicContact CZ3-CB 4.24Å; W63-F170 HydrophobicContact CB-CB 4.14Å; W63-F170 HydrophobicContact CB-CD1 4.17Å; W63-F170 HydrophobicContact CB-CG 4.41Å; W63-F170 HydrophobicContact CD2-CB 4.05Å; W63-F170 HydrophobicContact CE3-CB 3.59Å; W63-F170 HydrophobicContact CG-CB 4.33Å; W63-F170 HydrophobicContact CZ3-CB 4.29Å; W63-R172 VanDerWaalsContact CE2-CZ 3.42Å; W63-R172 HydrophobicContact CE3-CG 4.4Å; W63-R172 HydrophobicContact CH2-CG 4.36Å; W63-R172 VanDerWaalsContact CZ2-CZ 3.46Å; W63-R172 HydrophobicContact CZ3-CG 4.1Å
64	H	98.1	Very high	91.2	Very high	16 Å²	16	23.8 Å²	23.8	7%	0.074	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.8	176.3	-56.1	89	0	0	0	108.6	K62 V66 H83 F170 A171 R172 P174 Y214	K62-H64 VanDerWaalsContact CE-NE2 3.3Å; K62-H64 WeakPolarHBondContact CE-NE2 3.17Å; H64-V66 PolarHBondContact O-N 3.39Å; H64-H83 WeakPolarHBondContact CA-O 3.44Å; H64-F170 CarbonylContact O-C 3.51Å; H64-F170 WeakPolarHBondContact O-CA 3.27Å; H64-A171 PolarHBondContact N-O 3.46Å; H64-A171 PolarHBondContact O-N 3.19Å; H64-R172 PolarHBondContact CE1-O 3.38Å; H64-R172 VanDerWaalsContact CE1-O 3.23Å; H64-R172 PolarHBondContact ND1-O 2.92Å; H64-P174 HydrophobicContact CB-CG 3.53Å; H64-Y214 AromaticContact CD2-CE1 3.62Å; H64-Y214 AromaticContact CD2-CZ 3.61Å; H64-Y214 AromaticContact NE2-CE2 3.97Å; H64-Y214 AromaticContact NE2-CZ 3.98Å
65	Q	96.8	Very high	89.6	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	118	177.3	-167.7	179.7	-5.4	0	0	108.6	Y67 K68 N72 H83 T168 I169 F170 V206 Q208	Q65-Y67 WeakPolarHBondContact CG-O 3.45Å; Q65-Y67 PolarHBondContact NE2-O 2.92Å; Q65-K68 VanDerWaalsContact NE2-CB 3.3Å; Q65-N72 PolarHBondContact NE2-ND2 2.88Å; Q65-H83 HydrophobicContact CB-CB 3.86Å; Q65-H83 VanDerWaalsContact CB-ND1 3.31Å; Q65-H83 WeakPolarHBondContact CB-ND1 3.45Å; Q65-H83 PolarHBondContact N-O 2.86Å; Q65-H83 PolarHBondContact OE1-CD2 3.02Å; Q65-H83 VanDerWaalsContact OE1-CD2 3.28Å; Q65-H83 PolarHBondContact OE1-CE1 3.32Å; Q65-H83 PolarHBondContact OE1-ND1 3.38Å; Q65-H83 PolarHBondContact OE1-NE2 3.23Å; Q65-T168 VanDerWaalsContact CD-OG1 3.29Å; Q65-T168 WeakPolarHBondContact CG-OG1 3.22Å; Q65-T168 PolarHBondContact NE2-OG1 2.76Å; Q65-I169 CarbonylContact C-O 3.38Å; Q65-I169 WeakPolarHBondContact CA-O 3.45Å; Q65-F170 HydrophobicContact CB-CD1 3.89Å; Q65-F170 HydrophobicContact CB-CE1 3.72Å; Q65-F170 HydrophobicContact CG-CD1 4.35Å; Q65-F170 HydrophobicContact CG-CE1 4.08Å; Q65-V206 HydrophobicContact CG-CG2 4.34Å; Q65-V206 VanDerWaalsContact O-CB 3.32Å; Q65-V206 WeakPolarHBondContact O-CB 3.28Å; Q65-V206 WeakPolarHBondContact O-CG1 3.25Å; Q65-Q208 PolarHBondContact O-NE2 2.86Å
66	V	97.4	Very high	88.2	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-31.7	-176	-70.1	0	0	0	0	111.8	H64 I169 A171 P174 F177 Y178 V206 Q208	H64-V66 PolarHBondContact O-N 3.39Å; V66-I169 HydrophobicContact CG2-CB 4.01Å; V66-I169 HydrophobicContact CG2-CG2 3.75Å; V66-I169 WeakPolarHBondContact CG2-O 3.28Å; V66-I169 PolarHBondContact N-O 2.93Å; V66-A171 HydrophobicContact CG1-CB 3.84Å; V66-A171 HydrophobicContact CG2-CB 4.16Å; V66-P174 HydrophobicContact CG1-CB 4.05Å; V66-P174 HydrophobicContact CG1-CG 4.37Å; V66-F177 HydrophobicContact CB-CD1 4.15Å; V66-F177 HydrophobicContact CB-CE1 4.24Å; V66-F177 HydrophobicContact CG1-CD1 4.21Å; V66-F177 HydrophobicContact CG1-CG 4.49Å; V66-F177 HydrophobicContact CG2-CD1 3.83Å; V66-F177 HydrophobicContact CG2-CD2 4.4Å; V66-F177 HydrophobicContact CG2-CE1 3.65Å; V66-F177 HydrophobicContact CG2-CE2 4.2Å; V66-F177 HydrophobicContact CG2-CG 4.22Å; V66-F177 HydrophobicContact CG2-CZ 3.84Å; V66-Y178 HydrophobicContact CG1-CE2 4.37Å; V66-Y178 PolarHBondContact O-OH 2.82Å; V66-Y178 VanDerWaalsContact O-OH 3.11Å; V66-V206 PolarHBondContact O-N 2.84Å; V66-Q208 HydrophobicContact CG1-CG 4.42Å
67	Y	95.6	Very high	87.1	Confident	12 Å²	12	32 Å²	32	5%	0.047	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	150.4	174.6	-74.2	-79.3	0	0	0	111.7	Q65 I169 F177 Y178 D182 Q186 P203 E204 N205	Q65-Y67 WeakPolarHBondContact CG-O 3.45Å; Q65-Y67 PolarHBondContact NE2-O 2.92Å; Y67-I169 HydrophobicContact CD2-CD1 4.08Å; Y67-I169 HydrophobicContact CG-CD1 4.21Å; Y67-I169 PolarHBondContact O-N 3.12Å; Y67-F177 HydrophobicContact CD2-CE1 4.02Å; Y67-F177 HydrophobicContact CD2-CZ 4.27Å; Y67-F177 AromaticContact CE2-CE1 3.78Å; Y67-F177 HydrophobicContact CE2-CE1 3.78Å; Y67-F177 HydrophobicContact CE2-CZ 4.33Å; Y67-Y178 AromaticContact CE2-CE1 3.82Å; Y67-Y178 HydrophobicContact CE2-CE1 3.82Å; Y67-Y178 AromaticContact CZ-CE1 3.9Å; Y67-D182 VanDerWaalsContact CE2-OD1 3.3Å; Y67-D182 WeakPolarHBondContact CE2-OD1 3.29Å; Y67-D182 PolarHBondContact OH-OD1 3.5Å; Y67-Q186 PolarHBondContact OH-NE2 2.71Å; Y67-Q186 VanDerWaalsContact OH-NE2 3.1Å; Y67-P203 HydrophobicContact CD1-CB 3.73Å; Y67-P203 HydrophobicContact CE1-CB 4.33Å; Y67-P203 HydrophobicContact CG-CB 4.18Å; Y67-E204 CarbonylContact C-O 3.55Å; Y67-E204 VanDerWaalsContact CA-O 3.29Å; Y67-E204 WeakPolarHBondContact CA-O 3.43Å; Y67-E204 WeakPolarHBondContact CD1-O 3.39Å; Y67-N205 HydrophobicContact CE1-CB 4.3Å; Y67-N205 VanDerWaalsContact CE1-CG 3.43Å; Y67-N205 WeakPolarHBondContact CE1-OD1 3.38Å; Y67-N205 PolarHBondContact OH-OD1 2.84Å; Y67-N205 VanDerWaalsContact OH-OD1 3.06Å
68	K	93.3	Very high	85.9	Confident	4 Å²	4	31.3 Å²	31.3	2%	0.017	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	159.4	169	73.6	-178	-169.8	78.6	0	110.6	Q65 N72 Q77 S78 M80 L167 E204 V206	Q65-K68 VanDerWaalsContact NE2-CB 3.3Å; K68-N72 HydrophobicContact CB-CB 4.47Å; K68-Q77 VanDerWaalsContact CE-O 3.27Å; K68-Q77 WeakPolarHBondContact CE-O 3.44Å; K68-Q77 PolarHBondContact NZ-O 3.45Å; K68-S78 WeakPolarHBondContact CE-O 3.44Å; K68-M80 HydrophobicContact CD-CG 4.44Å; K68-M80 HydrophobicContact CD-SD 3.44Å; K68-M80 WeakPolarHBondContact CD-SD 3.4Å; K68-L167 CarbonylContact C-O 3.54Å; K68-L167 VanDerWaalsContact CA-O 3.27Å; K68-L167 WeakPolarHBondContact CA-O 3.36Å; K68-E204 PolarHBondContact N-O 2.85Å; K68-E204 IonicContact NZ-OE2 2.74Å; K68-E204 WeakPolarHBondContact O-CA 3.38Å; K68-E204 WeakPolarHBondContact O-CB 3.22Å; K68-E204 PolarHBondContact O-N 3.07Å; K68-V206 HydrophobicContact CB-CG2 4.15Å; K68-V206 HydrophobicContact CD-CG2 3.88Å; K68-V206 HydrophobicContact CG-CG2 3.89Å
69	A	89.4	Confident	85.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.174	C	C	.	.			trans	-85.5	165.1	164.9	0	0	0	0	0	111.9	V71 L167 R202	A69-V71 VanDerWaalsContact C-N 3.27Å; A69-V71 VanDerWaalsContact CB-O 3.25Å; A69-V71 WeakPolarHBondContact CB-O 3.31Å; A69-V71 PolarHBondContact O-N 3.29Å; A69-L167 HydrophobicContact CB-CB 3.72Å; A69-L167 PolarHBondContact N-O 2.71Å; A69-R202 WeakPolarHBondContact CA-O 3.5Å
70	A	77.7	Confident	85.1	Confident	29 Å²	29	32.1 Å²	32.1	24%	0.24	17%	0.174	C	C	.	.	S	Bend	trans	-60	-41.4	173	0	0	0	0	0	111.1
71	V	74.9	Confident	84.9	Confident	28 Å²	28	32.9 Å²	32.9	17%	0.17	17%	0.174	C	C	.	.	S	Bend	trans	-90.5	112.5	163.5	-171.4	0	0	0	0	107.2	A69 F76 I165 S166 W200	A69-V71 VanDerWaalsContact C-N 3.27Å; A69-V71 VanDerWaalsContact CB-O 3.25Å; A69-V71 WeakPolarHBondContact CB-O 3.31Å; A69-V71 PolarHBondContact O-N 3.29Å; V71-F76 HydrophobicContact CB-CD1 4.5Å; V71-F76 HydrophobicContact CB-CE1 4.05Å; V71-F76 HydrophobicContact CG1-CD1 4.34Å; V71-F76 HydrophobicContact CG1-CE1 3.6Å; V71-F76 HydrophobicContact CG1-CZ 4.07Å; V71-F76 HydrophobicContact CG2-CD1 4.34Å; V71-F76 HydrophobicContact CG2-CE1 3.8Å; V71-I165 HydrophobicContact CB-CG2 3.71Å; V71-I165 HydrophobicContact CG1-CG2 3.5Å; V71-I165 VanDerWaalsContact CG1-CG2 3.5Å; V71-I165 HydrophobicContact CG2-CG2 4.13Å; V71-S166 WeakPolarHBondContact O-CA 3.47Å; V71-W200 HydrophobicContact CG2-CB 4.03Å; V71-W200 PolarHBondContact N-O 3.41Å
72	N	75.9	Confident	84.9	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.			trans	-125.2	172.6	-179.3	-172.8	26	0	0	0	110.9	Q65 K68 D74 R139 L167	Q65-N72 PolarHBondContact NE2-ND2 2.88Å; K68-N72 HydrophobicContact CB-CB 4.47Å; N72-D74 WeakPolarHBondContact CB-OD1 3.41Å; N72-D74 VanDerWaalsContact CG-OD1 3.3Å; N72-D74 PolarHBondContact ND2-OD1 3.3Å; N72-D74 PolarHBondContact ND2-OD2 3.26Å; N72-D74 PolarHBondContact O-N 3.3Å; N72-R139 PolarHBondContact O-NH1 3.21Å; N72-L167 PolarHBondContact OD1-O 2.91Å
73	F	75.8	Confident	84.8	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-12	177.3	-67.8	-66	0	0	0	114.2	Y116 M130 Q140 F141 D161 T168	F73-Y116 PolarHBondContact O-OH 2.66Å; F73-M130 HydrophobicContact CB-CE 4.02Å; F73-M130 HydrophobicContact CB-SD 4.41Å; F73-M130 HydrophobicContact CD1-CE 3.46Å; F73-M130 VanDerWaalsContact CD1-CE 3.46Å; F73-M130 HydrophobicContact CD1-SD 4.18Å; F73-M130 HydrophobicContact CE1-CE 4.24Å; F73-M130 HydrophobicContact CG-CE 4.06Å; F73-M130 HydrophobicContact CG-SD 4.41Å; F73-Q140 WeakPolarHBondContact CE1-O 3.3Å; F73-F141 HydrophobicContact CD1-CD2 4.46Å; F73-F141 HydrophobicContact CD2-CD2 4.31Å; F73-F141 HydrophobicContact CD2-CE2 4.24Å; F73-F141 HydrophobicContact CE1-CD2 4.13Å; F73-F141 AromaticContact CE2-CD2 3.97Å; F73-F141 HydrophobicContact CE2-CD2 3.97Å; F73-F141 HydrophobicContact CE2-CE2 4.03Å; F73-F141 AromaticContact CZ-CD2 3.84Å; F73-F141 HydrophobicContact CZ-CD2 3.84Å; F73-F141 HydrophobicContact CZ-CE2 4.37Å; F73-D161 HydrophobicContact CE1-CB 4.33Å; F73-T168 HydrophobicContact CD2-CG2 3.83Å; F73-T168 HydrophobicContact CE2-CG2 3.87Å
74	D	69.3	Low	84.7	Confident	6 Å²	6	27.5 Å²	27.5	3%	0.032	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	38.2	-170.5	56.4	4	0	0	0	114.1	N72 Q77 M80	N72-D74 WeakPolarHBondContact CB-OD1 3.41Å; N72-D74 VanDerWaalsContact CG-OD1 3.3Å; N72-D74 PolarHBondContact ND2-OD1 3.3Å; N72-D74 PolarHBondContact ND2-OD2 3.26Å; N72-D74 PolarHBondContact O-N 3.3Å; D74-Q77 WeakPolarHBondContact O-CG 3.45Å; D74-M80 WeakPolarHBondContact OD2-CE 2.88Å
75	Q	63.7	Low	84.7	Confident	79 Å²	79	26.8 Å²	26.8	37%	0.369	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	53.6	175.1	-60.6	-157.8	-13	0	0	115.5	Q77 D134 Y135	Q75-Q77 PolarHBondContact O-N 3.07Å; Q75-D134 HydrophobicContact CG-CB 4.3Å; Q75-D134 PolarHBondContact NE2-O 3.24Å; Q75-Y135 HydrophobicContact CG-CE1 4.3Å; Q75-Y135 HydrophobicContact CG-CE2 4.39Å; Q75-Y135 WeakPolarHBondContact CG-OH 3.25Å
76	F	66	Low	84.8	Confident	130 Å²	130	27.7 Å²	27.7	57%	0.57	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	25.2	167.4	-49.3	-87.2	0	0	0	114.4	V71 S78	V71-F76 HydrophobicContact CB-CD1 4.5Å; V71-F76 HydrophobicContact CB-CE1 4.05Å; V71-F76 HydrophobicContact CG1-CD1 4.34Å; V71-F76 HydrophobicContact CG1-CE1 3.6Å; V71-F76 HydrophobicContact CG1-CZ 4.07Å; V71-F76 HydrophobicContact CG2-CD1 4.34Å; V71-F76 HydrophobicContact CG2-CE1 3.8Å; F76-S78 PolarHBondContact O-N 3.04Å
77	Q	71.8	Confident	84.8	Confident	50 Å²	50	28.3 Å²	28.3	23%	0.234	15%	0.146	C	C	.	.			trans	-63.6	105.9	171.7	-65.6	-66	-28.1	0	0	107.8	K68 D74 Q75 M80 F104	K68-Q77 VanDerWaalsContact CE-O 3.27Å; K68-Q77 WeakPolarHBondContact CE-O 3.44Å; K68-Q77 PolarHBondContact NZ-O 3.45Å; D74-Q77 WeakPolarHBondContact O-CG 3.45Å; Q75-Q77 PolarHBondContact O-N 3.07Å; Q77-M80 HydrophobicContact CB-CG 4.01Å; Q77-M80 HydrophobicContact CB-SD 4.15Å; Q77-F104 HydrophobicContact CB-CE2 4.46Å; Q77-F104 HydrophobicContact CG-CE2 4.45Å; Q77-F104 HydrophobicContact CG-CZ 4.25Å
78	S	71	Confident	84.9	Confident	77 Å²	77	31.4 Å²	31.4	54%	0.538	16%	0.161	S	C	.	.			trans	-74.9	-40.1	-174.8	51.8	0	0	0	0	111.5	K68 F76	K68-S78 WeakPolarHBondContact CE-O 3.44Å; F76-S78 PolarHBondContact O-N 3.04Å
79	N	87	Confident	85	Confident	73 Å²	73	37 Å²	37	39%	0.39	18%	0.182	S	C	.	.			trans	-110.4	83.3	-168.8	-66.7	-19.2	0	0	0	112	Y81 N107	N79-Y81 HydrophobicContact CB-CE2 4.23Å; N79-N107 PolarHBondContact O-N 3.09Å
80	M	91.3	Very high	85.4	Confident	7 Å²	7	38.1 Å²	38.1	3%	0.034	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.1	-179.8	-59.6	172.6	77	0	0	111.2	K68 D74 Q77 H83 F104 V206	K68-M80 HydrophobicContact CD-CG 4.44Å; K68-M80 HydrophobicContact CD-SD 3.44Å; K68-M80 WeakPolarHBondContact CD-SD 3.4Å; D74-M80 WeakPolarHBondContact OD2-CE 2.88Å; Q77-M80 HydrophobicContact CB-CG 4.01Å; Q77-M80 HydrophobicContact CB-SD 4.15Å; M80-H83 WeakPolarHBondContact CE-CD2 3.47Å; M80-F104 HydrophobicContact CB-CD2 4.16Å; M80-F104 HydrophobicContact CE-CB 4.34Å; M80-F104 HydrophobicContact CE-CD1 3.58Å; M80-F104 HydrophobicContact CE-CD2 3.86Å; M80-F104 HydrophobicContact CE-CE1 3.69Å; M80-F104 HydrophobicContact CE-CE2 3.94Å; M80-F104 HydrophobicContact CE-CG 3.67Å; M80-F104 HydrophobicContact CE-CZ 3.85Å; M80-F104 HydrophobicContact CG-CD2 3.88Å; M80-F104 HydrophobicContact CG-CE2 3.93Å; M80-V206 HydrophobicContact CB-CG1 4.34Å
81	Y	95	Very high	86.2	Confident	64 Å²	64	45.9 Å²	45.9	25%	0.251	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	143.5	-179.7	-65.8	-100.4	0	0	0	110.6	N79 H83 R105 N107 R109 Y207	N79-Y81 HydrophobicContact CB-CE2 4.23Å; Y81-H83 VanDerWaalsContact C-N 3.29Å; Y81-H83 PolarHBondContact O-N 3.34Å; Y81-R105 PolarHBondContact N-O 3.01Å; Y81-R105 PolarHBondContact O-N 3.21Å; Y81-N107 VanDerWaalsContact CE2-C 3.42Å; Y81-N107 WeakPolarHBondContact CE2-O 3.27Å; Y81-R109 HydrophobicContact CD1-CG 3.73Å; Y81-R109 HydrophobicContact CE1-CG 4.3Å; Y81-Y207 VanDerWaalsContact CD1-CB 3.43Å; Y81-Y207 AromaticContact CD1-CD1 3.85Å; Y81-Y207 HydrophobicContact CD1-CD1 3.85Å; Y81-Y207 AromaticContact CD1-CG 3.7Å; Y81-Y207 HydrophobicContact CD1-CG 3.7Å; Y81-Y207 HydrophobicContact CE1-CG 4.15Å
82	C	96.2	Very high	87.1	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.014	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.9	45.7	172.2	-50	0	0	0	0	112.8	V84 Y207 C212 Y214	C82-V84 PolarHBondContact O-N 3.22Å; C82-Y207 WeakPolarHBondContact CA-O 3.42Å; C82-Y207 PolarHBondContact N-O 2.94Å; C82-C212 WeakPolarHBondContact CA-SG 3.4Å; C82-C212 HydrophobicContact CB-CB 3.58Å; C82-C212 WeakPolarHBondContact CB-SG 3.38Å; C82-C212 WeakPolarHBondContact SG-CA 3.29Å; C82-C212 WeakPolarHBondContact SG-CB 3.27Å; C82-C212 CovalentContact SG-SG 2.04Å; C82-C212 PolarHBondContact SG-SG 2.62Å; C82-Y214 HydrophobicContact CB-CD1 4.23Å; C82-Y214 HydrophobicContact CB-CE1 3.92Å; C82-Y214 WeakPolarHBondContact O-CD1 3.2Å
83	H	96.2	Very high	88	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	124.4	-175.3	-174.4	-67.3	0	0	0	111.1	H64 Q65 M80 Y81 E102 A103 F104 V206 Q208	H64-H83 WeakPolarHBondContact CA-O 3.44Å; Q65-H83 HydrophobicContact CB-CB 3.86Å; Q65-H83 VanDerWaalsContact CB-ND1 3.31Å; Q65-H83 WeakPolarHBondContact CB-ND1 3.45Å; Q65-H83 PolarHBondContact N-O 2.86Å; Q65-H83 PolarHBondContact OE1-CD2 3.02Å; Q65-H83 VanDerWaalsContact OE1-CD2 3.28Å; Q65-H83 PolarHBondContact OE1-CE1 3.32Å; Q65-H83 PolarHBondContact OE1-ND1 3.38Å; Q65-H83 PolarHBondContact OE1-NE2 3.23Å; M80-H83 WeakPolarHBondContact CE-CD2 3.47Å; Y81-H83 VanDerWaalsContact C-N 3.29Å; Y81-H83 PolarHBondContact O-N 3.34Å; H83-E102 IonicContact CE1-OE2 3.93Å; H83-E102 PolarHBondContact CE1-OE2 3.36Å; H83-E102 IonicContact NE2-OE2 3.94Å; H83-E102 PolarHBondContact NE2-OE2 2.9Å; H83-A103 WeakPolarHBondContact CA-O 3.44Å; H83-F104 HydrophobicContact CB-CB 3.94Å; H83-F104 AromaticContact CD2-CD1 3.46Å; H83-F104 VanDerWaalsContact CD2-CD1 3.46Å; H83-F104 WeakPolarHBondContact CD2-CD1 3.38Å; H83-F104 AromaticContact CD2-CG 3.79Å; H83-F104 AromaticContact NE2-CD1 3.78Å; H83-V206 HydrophobicContact CB-CG1 3.84Å; H83-Q208 PolarHBondContact O-NE2 3.26Å
84	V	97.4	Very high	88.9	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	145.4	175.5	65.6	0	0	0	0	110.3	K62 W63 C82 Y86 E102 A103 Y214 I220	K62-V84 HydrophobicContact CD-CG2 4.33Å; K62-V84 VanDerWaalsContact CE-CG2 3.49Å; K62-V84 HydrophobicContact CG-CG2 3.93Å; W63-V84 CarbonylContact O-C 3.58Å; W63-V84 WeakPolarHBondContact O-CA 3.44Å; W63-V84 WeakPolarHBondContact O-CG2 3.09Å; C82-V84 PolarHBondContact O-N 3.22Å; V84-Y86 HydrophobicContact CB-CE2 4.5Å; V84-Y86 HydrophobicContact CG1-CE2 4.08Å; V84-Y86 HydrophobicContact CG2-CD2 4.27Å; V84-Y86 HydrophobicContact CG2-CE2 3.6Å; V84-E102 CarbonylContact O-C 3.55Å; V84-E102 VanDerWaalsContact O-CA 3.24Å; V84-E102 WeakPolarHBondContact O-CA 3.08Å; V84-A103 HydrophobicContact CG1-CB 4.13Å; V84-A103 PolarHBondContact N-O 3.24Å; V84-A103 PolarHBondContact O-N 3.28Å; V84-Y214 HydrophobicContact CB-CD1 3.86Å; V84-Y214 HydrophobicContact CB-CG 4.41Å; V84-Y214 HydrophobicContact CG1-CD1 4.43Å; V84-I220 HydrophobicContact CG1-CD1 4.24Å
85	A	97.2	Very high	90	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.008	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	139.5	175.9	0	0	0	0	0	109.6	K62 W63 I100 V101 E102 F170	K62-A85 CarbonylContact C-O 3.56Å; W63-A85 HydrophobicContact CB-CB 4.06Å; W63-A85 PolarHBondContact N-O 3.41Å; W63-A85 PolarHBondContact O-N 3.31Å; A85-I100 HydrophobicContact CB-CG2 3.84Å; A85-V101 CarbonylContact C-O 3.56Å; A85-V101 WeakPolarHBondContact CA-O 3.29Å; A85-E102 HydrophobicContact CB-CG 3.73Å; A85-F170 HydrophobicContact CB-CD1 4.04Å; A85-F170 HydrophobicContact CB-CE1 3.63Å; A85-F170 HydrophobicContact CB-CZ 4.32Å
86	Y	98.1	Very high	91.4	Very high	19 Å²	19	56.7 Å²	56.7	8%	0.075	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	119.2	173	-61	-91.7	0	0	0	108.8	G61 K62 V84 I100 V101 P215 E217 I220	G61-Y86 WeakPolarHBondContact O-CA 3.34Å; K62-Y86 HydrophobicContact CB-CD1 3.99Å; K62-Y86 HydrophobicContact CB-CE1 3.81Å; K62-Y86 HydrophobicContact CD-CE1 3.93Å; K62-Y86 HydrophobicContact CG-CD1 4.16Å; K62-Y86 HydrophobicContact CG-CE1 3.64Å; V84-Y86 HydrophobicContact CB-CE2 4.5Å; V84-Y86 HydrophobicContact CG1-CE2 4.08Å; V84-Y86 HydrophobicContact CG2-CD2 4.27Å; V84-Y86 HydrophobicContact CG2-CE2 3.6Å; Y86-I100 WeakPolarHBondContact O-CA 3.24Å; Y86-V101 HydrophobicContact CD2-CG2 4.45Å; Y86-V101 PolarHBondContact N-O 3.14Å; Y86-V101 PolarHBondContact O-N 3.01Å; Y86-P215 WeakPolarHBondContact CE2-O 3.32Å; Y86-P215 PolarHBondContact OH-O 3.02Å; Y86-E217 HydrophobicContact CD1-CB 4.05Å; Y86-E217 HydrophobicContact CD1-CG 4.41Å; Y86-E217 HydrophobicContact CD2-CB 4.11Å; Y86-E217 HydrophobicContact CD2-CG 4.3Å; Y86-E217 HydrophobicContact CE1-CB 4.24Å; Y86-E217 HydrophobicContact CE2-CB 4.28Å; Y86-E217 HydrophobicContact CG-CB 3.98Å; Y86-E217 HydrophobicContact CG-CG 4.01Å; Y86-I220 HydrophobicContact CD2-CD1 3.7Å; Y86-I220 HydrophobicContact CE2-CD1 3.61Å
87	V	97.8	Very high	92.9	Very high	12 Å²	12	50.7 Å²	50.7	7%	0.073	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.2	-177.1	179.3	0	0	0	0	109.6	A59 L60 G61 W63 L98 S99 I100	A59-V87 WeakPolarHBondContact O-CB 3.41Å; A59-V87 WeakPolarHBondContact O-CG1 3.07Å; L60-V87 WeakPolarHBondContact CA-O 3.43Å; L60-V87 HydrophobicContact CD2-CG1 4.28Å; G61-V87 PolarHBondContact N-O 2.7Å; G61-V87 PolarHBondContact O-N 2.65Å; W63-V87 VanDerWaalsContact CD1-CG2 3.45Å; W63-V87 HydrophobicContact CG-CG2 4.43Å; V87-L98 HydrophobicContact CG1-CD1 4.38Å; V87-L98 HydrophobicContact CG1-CD2 3.79Å; V87-S99 CarbonylContact C-O 3.5Å; V87-S99 WeakPolarHBondContact CA-O 3.09Å; V87-I100 HydrophobicContact CG2-CD1 4.33Å; V87-I100 HydrophobicContact CG2-CG1 4.11Å; V87-I100 HydrophobicContact CG2-CG2 4.1Å
88	Q	97.1	Very high	94.1	Very high	77 Å²	77	48.5 Å²	48.5	36%	0.36	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	155.6	-179.2	-62.8	-174.5	-7.7	0	0	111.7	N90 L98 S99 E217	Q88-N90 PolarHBondContact O-N 2.93Å; Q88-L98 CarbonylContact O-C 3.6Å; Q88-L98 VanDerWaalsContact O-CA 3.29Å; Q88-L98 WeakPolarHBondContact O-CA 3.31Å; Q88-L98 WeakPolarHBondContact O-CD2 3.45Å; Q88-S99 PolarHBondContact N-O 3.19Å; Q88-S99 PolarHBondContact O-N 2.95Å; Q88-E217 PolarHBondContact NE2-OE1 2.97Å; Q88-E217 PolarHBondContact NE2-OE2 3.46Å
89	R	97.3	Very high	95.3	Very high	121 Å²	121	45.3 Å²	45.3	46%	0.457	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	130.1	170.1	-72.4	179.5	174.4	-89.7	14.1	109.6	V56 D57 L60	V56-R89 HydrophobicContact CG1-CG 3.88Å; D57-R89 IonicContact OD1-CZ 3.74Å; D57-R89 IonicContact OD1-NE 3.56Å; D57-R89 PolarHBondContact OD1-NE 2.85Å; D57-R89 IonicContact OD1-NH2 3.83Å; D57-R89 PolarHBondContact OD1-NH2 2.87Å; D57-R89 IonicContact OD2-CZ 2.66Å; D57-R89 IonicContact OD2-NH2 3.88Å; D57-R89 PolarHBondContact OD2-NH2 2.82Å; L60-R89 HydrophobicContact CD1-CG 3.99Å; L60-R89 HydrophobicContact CD2-CG 3.91Å
90	N	96.1	Very high	95.8	Very high	24 Å²	24	42.2 Å²	42.2	13%	0.128	23%	0.227	C	C	.	.			trans	-119.9	99.3	173.7	-171.7	-11.5	0	0	0	110.3	Q88 I92 M93 G97 D119	Q88-N90 PolarHBondContact O-N 2.93Å; N90-I92 PolarHBondContact O-N 3.21Å; N90-I92 WeakPolarHBondContact OD1-CB 3.43Å; N90-I92 PolarHBondContact OD1-N 3.4Å; N90-M93 HydrophobicContact CB-CG 4.1Å; N90-M93 WeakPolarHBondContact ND2-CG 3.36Å; N90-M93 PolarHBondContact O-N 2.91Å; N90-G97 PolarHBondContact N-O 3.3Å; N90-G97 CarbonylContact O-C 3.59Å; N90-D119 PolarHBondContact ND2-OD1 2.9Å
91	K	94.6	Very high	96	Very high	192 Å²	192	43 Å²	43	84%	0.835	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-65.2	-23.4	-179.5	-65.3	-178.6	-179.5	178	0	113.1	M93 G94	K91-M93 PolarHBondContact O-N 3.06Å; K91-G94 PolarHBondContact O-N 2.92Å
92	I	95.5	Very high	95.9	Very high	155 Å²	155	40 Å²	40	80%	0.795	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-66	-31.6	178.1	-55.8	-174.9	0	0	0	110.3	N90 G94	N90-I92 PolarHBondContact O-N 3.21Å; N90-I92 WeakPolarHBondContact OD1-CB 3.43Å; N90-I92 PolarHBondContact OD1-N 3.4Å; I92-G94 PolarHBondContact O-N 3.1Å
93	M	94.7	Very high	95.9	Very high	31 Å²	31	39.9 Å²	39.9	15%	0.153	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-81.7	7.8	179.3	-53.4	-51.3	-62.6	0	0	113.9	N90 K91 D119 L120 S121 F131	N90-M93 HydrophobicContact CB-CG 4.1Å; N90-M93 WeakPolarHBondContact ND2-CG 3.36Å; N90-M93 PolarHBondContact O-N 2.91Å; K91-M93 PolarHBondContact O-N 3.06Å; M93-D119 HydrophobicContact CE-CB 4.2Å; M93-D119 HydrophobicContact CG-CB 4.05Å; M93-D119 HydrophobicContact SD-CB 3.85Å; M93-L120 VanDerWaalsContact CB-O 3.29Å; M93-L120 WeakPolarHBondContact CB-O 3.34Å; M93-S121 PolarHBondContact O-OG 2.95Å; M93-F131 HydrophobicContact CE-CD2 3.28Å; M93-F131 HydrophobicContact CE-CE2 3.47Å; M93-F131 VanDerWaalsContact CE-CE2 3.47Å; M93-F131 HydrophobicContact CE-CG 4.12Å; M93-F131 HydrophobicContact CE-CZ 4.43Å
94	G	93.4	Very high	95.8	Very high	40 Å²	40	40.1 Å²	40.1	41%	0.412	22%	0.22	S	C	.	.			trans	88.3	-167.6	179	0	0	0	0	0	114.4	K91 I92 G96 G97	K91-G94 PolarHBondContact O-N 2.92Å; I92-G94 PolarHBondContact O-N 3.1Å; G94-G96 PolarHBondContact O-N 3.29Å; G94-G97 PolarHBondContact O-N 2.84Å
95	A	92.9	Very high	95.6	Very high	94 Å²	94	41.8 Å²	41.8	78%	0.777	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	123.2	-178.4	0	0	0	0	0	111.2	G97	A95-G97 VanDerWaalsContact C-N 3.26Å; A95-G97 PolarHBondContact O-N 2.66Å
96	G	93.6	Very high	95.3	Very high	21 Å²	21	43 Å²	43	22%	0.216	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	11.5	-174.4	0	0	0	0	0	114.3	G94	G94-G96 PolarHBondContact O-N 3.29Å
97	G	96.6	Very high	95	Very high	3 Å²	3	47.4 Å²	47.4	3%	0.031	26%	0.259	C	S	.	.			trans	-64.5	140.8	175	0	0	0	0	0	113.1	N90 G94 A95 L120	N90-G97 PolarHBondContact N-O 3.3Å; N90-G97 CarbonylContact O-C 3.59Å; G94-G97 PolarHBondContact O-N 2.84Å; A95-G97 VanDerWaalsContact C-N 3.26Å; A95-G97 PolarHBondContact O-N 2.66Å; G97-L120 VanDerWaalsContact CA-O 3.31Å; G97-L120 WeakPolarHBondContact CA-O 3.02Å
98	L	97.5	Very high	94.8	Very high	5 Å²	5	49 Å²	49	3%	0.026	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	153.8	-178.5	-70.8	169.8	0	0	0	110.8	I54 V56 L60 V87 Q88 L120 Y128	I54-L98 HydrophobicContact CD1-CD1 4.25Å; V56-L98 HydrophobicContact CG1-CD2 3.66Å; V56-L98 HydrophobicContact CG1-CG 4.45Å; L60-L98 HydrophobicContact CD2-CD2 3.9Å; V87-L98 HydrophobicContact CG1-CD1 4.38Å; V87-L98 HydrophobicContact CG1-CD2 3.79Å; Q88-L98 CarbonylContact O-C 3.6Å; Q88-L98 VanDerWaalsContact O-CA 3.29Å; Q88-L98 WeakPolarHBondContact O-CA 3.31Å; Q88-L98 WeakPolarHBondContact O-CD2 3.45Å; L98-L120 HydrophobicContact CB-CB 4.13Å; L98-L120 HydrophobicContact CB-CD1 4.28Å; L98-L120 HydrophobicContact CB-CG 4.48Å; L98-L120 HydrophobicContact CD1-CD1 4.49Å; L98-L120 PolarHBondContact N-O 3.27Å; L98-L120 PolarHBondContact O-N 2.71Å; L98-Y128 HydrophobicContact CD1-CE1 4.44Å
99	S	96.5	Very high	94.5	Very high	10 Å²	10	50.2 Å²	50.2	7%	0.07	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	137.6	163.1	-160	0	0	0	0	108.5	V87 Q88 K117 R118 D119	V87-S99 CarbonylContact C-O 3.5Å; V87-S99 WeakPolarHBondContact CA-O 3.09Å; Q88-S99 PolarHBondContact N-O 3.19Å; Q88-S99 PolarHBondContact O-N 2.95Å; S99-K117 WeakPolarHBondContact OG-CE 3.47Å; S99-R118 CarbonylContact C-O 3.52Å; S99-R118 WeakPolarHBondContact CA-O 3.17Å; S99-D119 VanDerWaalsContact CB-OD1 3.22Å; S99-D119 WeakPolarHBondContact CB-OD1 3.42Å; S99-D119 PolarHBondContact OG-OD1 3.24Å
100	I	96.2	Very high	94.1	Very high	8 Å²	8	50.4 Å²	50.4	4%	0.041	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	115.7	174.6	-43.8	-173.9	0	0	0	106.8	A85 Y86 V87 E102 K117 R118 L120	A85-I100 HydrophobicContact CB-CG2 3.84Å; Y86-I100 WeakPolarHBondContact O-CA 3.24Å; V87-I100 HydrophobicContact CG2-CD1 4.33Å; V87-I100 HydrophobicContact CG2-CG1 4.11Å; V87-I100 HydrophobicContact CG2-CG2 4.1Å; I100-E102 HydrophobicContact CG2-CG 3.68Å; I100-K117 CarbonylContact O-C 3.53Å; I100-K117 WeakPolarHBondContact O-CA 3.36Å; I100-R118 HydrophobicContact CB-CB 4.24Å; I100-R118 PolarHBondContact N-O 2.85Å; I100-R118 PolarHBondContact O-N 2.88Å; I100-L120 HydrophobicContact CD1-CD1 3.83Å; I100-L120 HydrophobicContact CG1-CD1 4.28Å
101	V	95.2	Very high	93.9	Very high	24 Å²	24	50 Å²	50	15%	0.145	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.6	170.9	-64.5	0	0	0	0	109	A85 Y86 K117 E217 I220	A85-V101 CarbonylContact C-O 3.56Å; A85-V101 WeakPolarHBondContact CA-O 3.29Å; Y86-V101 HydrophobicContact CD2-CG2 4.45Å; Y86-V101 PolarHBondContact N-O 3.14Å; Y86-V101 PolarHBondContact O-N 3.01Å; V101-K117 HydrophobicContact CG1-CB 4.47Å; V101-K117 HydrophobicContact CG1-CD 4.32Å; V101-K117 HydrophobicContact CG1-CG 4.04Å; V101-E217 HydrophobicContact CG2-CG 4.1Å; V101-I220 HydrophobicContact CB-CG2 4.19Å
102	E	94.5	Very high	93.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	151.7	-166.4	-62	175.2	-94.1	0	0	110.6	H83 V84 A85 I100 T115 Y116 R118 F170	H83-E102 IonicContact CE1-OE2 3.93Å; H83-E102 PolarHBondContact CE1-OE2 3.36Å; H83-E102 IonicContact NE2-OE2 3.94Å; H83-E102 PolarHBondContact NE2-OE2 2.9Å; V84-E102 CarbonylContact O-C 3.55Å; V84-E102 VanDerWaalsContact O-CA 3.24Å; V84-E102 WeakPolarHBondContact O-CA 3.08Å; A85-E102 HydrophobicContact CB-CG 3.73Å; I100-E102 HydrophobicContact CG2-CG 3.68Å; E102-T115 CarbonylContact O-C 3.44Å; E102-T115 VanDerWaalsContact O-CA 3.25Å; E102-T115 WeakPolarHBondContact O-CA 3.41Å; E102-Y116 PolarHBondContact N-O 2.99Å; E102-Y116 PolarHBondContact O-N 3.29Å; E102-R118 VanDerWaalsContact CD-CZ 3.47Å; E102-R118 WeakPolarHBondContact OE1-CD 3.41Å; E102-R118 WeakPolarHBondContact OE1-CG 3.42Å; E102-R118 IonicContact OE1-CZ 3.34Å; E102-R118 IonicContact OE1-NE 2.77Å; E102-R118 PolarHBondContact OE1-NE 3.17Å; E102-R118 VanDerWaalsContact OE1-NE 3.09Å; E102-R118 IonicContact OE1-NH1 2.76Å; E102-R118 PolarHBondContact OE1-NH1 3.1Å; E102-R118 IonicContact OE1-NH2 3.65Å; E102-R118 PolarHBondContact OE1-NH2 2.87Å; E102-R118 IonicContact OE2-CZ 2.72Å; E102-R118 VanDerWaalsContact OE2-CZ 3.27Å; E102-R118 IonicContact OE2-NH1 3.21Å; E102-R118 PolarHBondContact OE2-NH1 3.27Å; E102-R118 IonicContact OE2-NH2 2.8Å; E102-R118 PolarHBondContact OE2-NH2 2.9Å; E102-F170 WeakPolarHBondContact OE2-CZ 3.37Å
103	A	94.6	Very high	93.6	Very high	0 Å²	0	37 Å²	37	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	145.2	170.7	0	0	0	0	0	111.2	H83 V84 V113 K114 T115 P215 I220	H83-A103 WeakPolarHBondContact CA-O 3.44Å; V84-A103 HydrophobicContact CG1-CB 4.13Å; V84-A103 PolarHBondContact N-O 3.24Å; V84-A103 PolarHBondContact O-N 3.28Å; A103-V113 HydrophobicContact CB-CG1 4.15Å; A103-K114 VanDerWaalsContact CA-O 3.28Å; A103-K114 WeakPolarHBondContact CA-O 3.14Å; A103-T115 HydrophobicContact CB-CG2 4.28Å; A103-P215 HydrophobicContact CB-CB 4.36Å; A103-P215 HydrophobicContact CB-CG 3.98Å; A103-I220 HydrophobicContact CB-CD1 3.61Å; A103-I220 HydrophobicContact CB-CG1 3.76Å
104	F	94.4	Very high	93.5	Very high	6 Å²	6	39 Å²	39	3%	0.026	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	164	175.8	57.7	-86.2	0	0	0	110.7	Q77 M80 H83 V106 V113 K114	Q77-F104 HydrophobicContact CB-CE2 4.46Å; Q77-F104 HydrophobicContact CG-CE2 4.45Å; Q77-F104 HydrophobicContact CG-CZ 4.25Å; M80-F104 HydrophobicContact CB-CD2 4.16Å; M80-F104 HydrophobicContact CE-CB 4.34Å; M80-F104 HydrophobicContact CE-CD1 3.58Å; M80-F104 HydrophobicContact CE-CD2 3.86Å; M80-F104 HydrophobicContact CE-CE1 3.69Å; M80-F104 HydrophobicContact CE-CE2 3.94Å; M80-F104 HydrophobicContact CE-CG 3.67Å; M80-F104 HydrophobicContact CE-CZ 3.85Å; M80-F104 HydrophobicContact CG-CD2 3.88Å; M80-F104 HydrophobicContact CG-CE2 3.93Å; H83-F104 HydrophobicContact CB-CB 3.94Å; H83-F104 AromaticContact CD2-CD1 3.46Å; H83-F104 VanDerWaalsContact CD2-CD1 3.46Å; H83-F104 WeakPolarHBondContact CD2-CD1 3.38Å; H83-F104 AromaticContact CD2-CG 3.79Å; H83-F104 AromaticContact NE2-CD1 3.78Å; F104-V106 HydrophobicContact CD2-CG2 4.18Å; F104-V106 HydrophobicContact CE2-CG2 3.88Å; F104-V113 CarbonylContact O-C 3.57Å; F104-V113 WeakPolarHBondContact O-CA 3.49Å; F104-K114 HydrophobicContact CE1-CB 4.41Å; F104-K114 HydrophobicContact CE1-CG 4.48Å; F104-K114 HydrophobicContact CE2-CB 4.09Å; F104-K114 HydrophobicContact CE2-CD 4.3Å; F104-K114 HydrophobicContact CZ-CB 4.03Å; F104-K114 HydrophobicContact CZ-CD 3.85Å; F104-K114 HydrophobicContact CZ-CG 4.1Å; F104-K114 PolarHBondContact N-O 3.1Å; F104-K114 PolarHBondContact O-N 3.37Å
105	R	94	Very high	93.4	Very high	35 Å²	35	38.5 Å²	38.5	13%	0.132	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	137	174.6	-62.2	180	179.8	-88.7	4.3	110.4	Y81 S108 R109 G111 A112 V113	Y81-R105 PolarHBondContact N-O 3.01Å; Y81-R105 PolarHBondContact O-N 3.21Å; R105-S108 WeakPolarHBondContact CB-O 3.35Å; R105-R109 WeakPolarHBondContact CD-O 3.48Å; R105-R109 PolarHBondContact NE-O 3.38Å; R105-G111 PolarHBondContact NH1-O 2.91Å; R105-A112 WeakPolarHBondContact CA-O 3.25Å; R105-V113 HydrophobicContact CG-CG2 4.14Å
106	V	91.6	Very high	93.2	Very high	27 Å²	27	34.4 Å²	34.4	16%	0.164	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	137	-176.5	-170.1	0	0	0	0	109.7	F104 S108 A112 K114	F104-V106 HydrophobicContact CD2-CG2 4.18Å; F104-V106 HydrophobicContact CE2-CG2 3.88Å; V106-S108 PolarHBondContact O-N 2.84Å; V106-A112 PolarHBondContact N-O 3.04Å; V106-K114 HydrophobicContact CG2-CB 3.82Å
107	N	91	Very high	93.1	Very high	111 Å²	111	36.2 Å²	36.2	59%	0.594	19%	0.192	S	C	*	.	S	Bend	trans	67.5	-33.1	174.9	-59.4	-41	0	0	0	117	N79 Y81	N79-N107 PolarHBondContact O-N 3.09Å; Y81-N107 VanDerWaalsContact CE2-C 3.42Å; Y81-N107 WeakPolarHBondContact CE2-O 3.27Å
108	S	92.6	Very high	93	Very high	46 Å²	46	36.1 Å²	36.1	32%	0.322	19%	0.191	S	C	.	.	S	Bend	trans	-151.8	170.2	176.6	72	0	0	0	0	112.5	R105 V106 E110 G111	R105-S108 WeakPolarHBondContact CB-O 3.35Å; V106-S108 PolarHBondContact O-N 2.84Å; S108-E110 PolarHBondContact O-N 3.35Å; S108-G111 PolarHBondContact O-N 2.9Å; S108-G111 VanDerWaalsContact O-N 3.12Å; S108-G111 PolarHBondContact OG-N 3.07Å; S108-G111 VanDerWaalsContact OG-N 3.09Å
109	R	91	Very high	92.9	Very high	102 Å²	102	37.2 Å²	37.2	39%	0.385	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-21.2	177.9	-59.5	179.4	-59.8	-121.9	-3	113.9	Y81 R105 Y207 D211	Y81-R109 HydrophobicContact CD1-CG 3.73Å; Y81-R109 HydrophobicContact CE1-CG 4.3Å; R105-R109 WeakPolarHBondContact CD-O 3.48Å; R105-R109 PolarHBondContact NE-O 3.38Å; R109-Y207 VanDerWaalsContact CD-CZ 3.49Å; R109-Y207 HydrophobicContact CG-CD1 3.87Å; R109-Y207 HydrophobicContact CG-CE1 3.63Å; R109-D211 WeakPolarHBondContact CD-OD2 3.29Å; R109-D211 IonicContact CZ-OD2 3.91Å; R109-D211 IonicContact NE-OD2 3.2Å; R109-D211 PolarHBondContact NE-OD2 3.4Å; R109-D211 VanDerWaalsContact NE-OD2 3.07Å; R109-D211 IonicContact NH1-OD2 3.64Å
110	E	90.6	Very high	92.9	Very high	124 Å²	124	36.9 Å²	36.9	58%	0.579	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108	4.6	175.8	-55.8	74	-159.1	0	0	111.7	S108	S108-E110 PolarHBondContact O-N 3.35Å
111	G	91.4	Very high	93	Very high	15 Å²	15	38 Å²	38	16%	0.155	20%	0.202	C	C	.	.	S	Bend	trans	-64.1	172.8	-177.6	0	0	0	0	0	113.6	R105 S108 V113	R105-G111 PolarHBondContact NH1-O 2.91Å; S108-G111 PolarHBondContact O-N 2.9Å; S108-G111 VanDerWaalsContact O-N 3.12Å; S108-G111 PolarHBondContact OG-N 3.07Å; S108-G111 VanDerWaalsContact OG-N 3.09Å; G111-V113 PolarHBondContact O-N 2.81Å
112	A	91.8	Very high	93	Very high	55 Å²	55	40.8 Å²	40.8	46%	0.455	21%	0.211	S	C	.	.			trans	-57.9	137.8	177.9	0	0	0	0	0	110.8	R105 V106 K114	R105-A112 WeakPolarHBondContact CA-O 3.25Å; V106-A112 PolarHBondContact N-O 3.04Å; A112-K114 PolarHBondContact O-N 2.91Å
113	V	92.3	Very high	93.1	Very high	21 Å²	21	44 Å²	44	13%	0.127	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	115.3	177.7	176.5	0	0	0	0	108.2	A103 F104 R105 G111 T115 P215	A103-V113 HydrophobicContact CB-CG1 4.15Å; F104-V113 CarbonylContact O-C 3.57Å; F104-V113 WeakPolarHBondContact O-CA 3.49Å; R105-V113 HydrophobicContact CG-CG2 4.14Å; G111-V113 PolarHBondContact O-N 2.81Å; V113-T115 HydrophobicContact CG1-CG2 4.5Å; V113-P215 HydrophobicContact CG1-CG 3.85Å; V113-P215 HydrophobicContact CG2-CG 4.47Å
114	K	91	Very high	93.1	Very high	72 Å²	72	45.2 Å²	45.2	31%	0.313	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	136.8	169.6	-172.2	171.1	178.9	-176.3	0	109	A103 F104 V106 A112	A103-K114 VanDerWaalsContact CA-O 3.28Å; A103-K114 WeakPolarHBondContact CA-O 3.14Å; F104-K114 HydrophobicContact CE1-CB 4.41Å; F104-K114 HydrophobicContact CE1-CG 4.48Å; F104-K114 HydrophobicContact CE2-CB 4.09Å; F104-K114 HydrophobicContact CE2-CD 4.3Å; F104-K114 HydrophobicContact CZ-CB 4.03Å; F104-K114 HydrophobicContact CZ-CD 3.85Å; F104-K114 HydrophobicContact CZ-CG 4.1Å; F104-K114 PolarHBondContact N-O 3.1Å; F104-K114 PolarHBondContact O-N 3.37Å; V106-K114 HydrophobicContact CG2-CB 3.82Å; A112-K114 PolarHBondContact O-N 2.91Å
115	T	91.6	Very high	93	Very high	30 Å²	30	48.1 Å²	48.1	18%	0.184	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	150.2	177.6	60.9	0	0	0	0	111.1	E102 A103 V113 I220 R223 R224	E102-T115 CarbonylContact O-C 3.44Å; E102-T115 VanDerWaalsContact O-CA 3.25Å; E102-T115 WeakPolarHBondContact O-CA 3.41Å; A103-T115 HydrophobicContact CB-CG2 4.28Å; V113-T115 HydrophobicContact CG1-CG2 4.5Å; T115-I220 HydrophobicContact CG2-CG2 4.02Å; T115-R223 HydrophobicContact CG2-CB 4Å; T115-R224 HydrophobicContact CG2-CG 4.28Å; T115-R224 WeakPolarHBondContact OG1-CG 3.25Å
116	Y	89	Confident	93	Very high	7 Å²	7	46.4 Å²	46.4	3%	0.027	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	158.4	179.8	-166.6	-116.6	0	0	0	111.2	F73 E102 R118 T132 D134	F73-Y116 PolarHBondContact O-OH 2.66Å; E102-Y116 PolarHBondContact N-O 2.99Å; E102-Y116 PolarHBondContact O-N 3.29Å; Y116-R118 HydrophobicContact CD1-CG 3.76Å; Y116-R118 HydrophobicContact CE1-CG 3.43Å; Y116-R118 VanDerWaalsContact CE1-CG 3.43Å; Y116-T132 HydrophobicContact CE1-CG2 4.07Å; Y116-T132 WeakPolarHBondContact OH-CB 3.21Å; Y116-T132 WeakPolarHBondContact OH-CG2 3.42Å; Y116-T132 PolarHBondContact OH-OG1 2.81Å; Y116-D134 HydrophobicContact CE2-CB 4.18Å; Y116-D134 WeakPolarHBondContact CE2-OD2 3.37Å
117	K	92.6	Very high	93.3	Very high	59 Å²	59	47.2 Å²	47.2	26%	0.257	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	134.8	174.5	-177.3	-178.8	177.5	-138.9	0	110.7	S99 I100 V101 D119 R224	S99-K117 WeakPolarHBondContact OG-CE 3.47Å; I100-K117 CarbonylContact O-C 3.53Å; I100-K117 WeakPolarHBondContact O-CA 3.36Å; V101-K117 HydrophobicContact CG1-CB 4.47Å; V101-K117 HydrophobicContact CG1-CD 4.32Å; V101-K117 HydrophobicContact CG1-CG 4.04Å; K117-D119 VanDerWaalsContact CE-OD1 3.27Å; K117-D119 WeakPolarHBondContact CE-OD1 3.41Å; K117-D119 VanDerWaalsContact CE-OD2 3.29Å; K117-D119 WeakPolarHBondContact CE-OD2 3.2Å; K117-D119 IonicContact NZ-OD1 3Å; K117-D119 PolarHBondContact NZ-OD1 3.47Å; K117-D119 IonicContact NZ-OD2 3.86Å; K117-D119 PolarHBondContact NZ-OD2 3.11Å; K117-R224 VanDerWaalsContact CB-CZ 3.46Å; K117-R224 VanDerWaalsContact CB-NH2 3.33Å
118	R	93.2	Very high	93.6	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	122.3	174.4	-59.1	174.9	176.4	133.8	20	109.2	S99 I100 E102 Y116 M130 F131 T132	S99-R118 CarbonylContact C-O 3.52Å; S99-R118 WeakPolarHBondContact CA-O 3.17Å; I100-R118 HydrophobicContact CB-CB 4.24Å; I100-R118 PolarHBondContact N-O 2.85Å; I100-R118 PolarHBondContact O-N 2.88Å; E102-R118 VanDerWaalsContact CD-CZ 3.47Å; E102-R118 WeakPolarHBondContact OE1-CD 3.41Å; E102-R118 WeakPolarHBondContact OE1-CG 3.42Å; E102-R118 IonicContact OE1-CZ 3.34Å; E102-R118 IonicContact OE1-NE 2.77Å; E102-R118 PolarHBondContact OE1-NE 3.17Å; E102-R118 VanDerWaalsContact OE1-NE 3.09Å; E102-R118 IonicContact OE1-NH1 2.76Å; E102-R118 PolarHBondContact OE1-NH1 3.1Å; E102-R118 IonicContact OE1-NH2 3.65Å; E102-R118 PolarHBondContact OE1-NH2 2.87Å; E102-R118 IonicContact OE2-CZ 2.72Å; E102-R118 VanDerWaalsContact OE2-CZ 3.27Å; E102-R118 IonicContact OE2-NH1 3.21Å; E102-R118 PolarHBondContact OE2-NH1 3.27Å; E102-R118 IonicContact OE2-NH2 2.8Å; E102-R118 PolarHBondContact OE2-NH2 2.9Å; Y116-R118 HydrophobicContact CD1-CG 3.76Å; Y116-R118 HydrophobicContact CE1-CG 3.43Å; Y116-R118 VanDerWaalsContact CE1-CG 3.43Å; R118-M130 HydrophobicContact CB-CG 4.06Å; R118-M130 HydrophobicContact CB-SD 4.22Å; R118-M130 WeakPolarHBondContact CD-SD 3.08Å; R118-M130 HydrophobicContact CG-CG 4.25Å; R118-M130 HydrophobicContact CG-SD 3.84Å; R118-F131 CarbonylContact C-O 3.57Å; R118-F131 WeakPolarHBondContact CA-O 3.41Å; R118-T132 HydrophobicContact CG-CG2 4.09Å
119	D	96.3	Very high	93.7	Very high	28 Å²	28	45 Å²	45	15%	0.15	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	126.2	169.2	-73.8	-44.1	0	0	0	109	N90 M93 S99 K117 M130 F131	N90-D119 PolarHBondContact ND2-OD1 2.9Å; M93-D119 HydrophobicContact CE-CB 4.2Å; M93-D119 HydrophobicContact CG-CB 4.05Å; M93-D119 HydrophobicContact SD-CB 3.85Å; S99-D119 VanDerWaalsContact CB-OD1 3.22Å; S99-D119 WeakPolarHBondContact CB-OD1 3.42Å; S99-D119 PolarHBondContact OG-OD1 3.24Å; K117-D119 VanDerWaalsContact CE-OD1 3.27Å; K117-D119 WeakPolarHBondContact CE-OD1 3.41Å; K117-D119 VanDerWaalsContact CE-OD2 3.29Å; K117-D119 WeakPolarHBondContact CE-OD2 3.2Å; K117-D119 IonicContact NZ-OD1 3Å; K117-D119 PolarHBondContact NZ-OD1 3.47Å; K117-D119 IonicContact NZ-OD2 3.86Å; K117-D119 PolarHBondContact NZ-OD2 3.11Å; D119-M130 WeakPolarHBondContact O-CA 3.27Å; D119-F131 HydrophobicContact CB-CB 4.35Å; D119-F131 PolarHBondContact N-O 2.95Å; D119-F131 PolarHBondContact O-N 3.27Å
120	L	97.2	Very high	93.9	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	123.7	-174.4	-55	-176.8	0	0	0	110.1	M93 G97 L98 I100 Y128 W129 M130 F141	M93-L120 VanDerWaalsContact CB-O 3.29Å; M93-L120 WeakPolarHBondContact CB-O 3.34Å; G97-L120 VanDerWaalsContact CA-O 3.31Å; G97-L120 WeakPolarHBondContact CA-O 3.02Å; L98-L120 HydrophobicContact CB-CB 4.13Å; L98-L120 HydrophobicContact CB-CD1 4.28Å; L98-L120 HydrophobicContact CB-CG 4.48Å; L98-L120 HydrophobicContact CD1-CD1 4.49Å; L98-L120 PolarHBondContact N-O 3.27Å; L98-L120 PolarHBondContact O-N 2.71Å; I100-L120 HydrophobicContact CD1-CD1 3.83Å; I100-L120 HydrophobicContact CG1-CD1 4.28Å; L120-Y128 HydrophobicContact CB-CD1 3.79Å; L120-Y128 HydrophobicContact CB-CG 4.21Å; L120-W129 CarbonylContact C-O 3.52Å; L120-W129 WeakPolarHBondContact CA-O 3.25Å; L120-M130 HydrophobicContact CD2-CB 3.54Å; L120-M130 HydrophobicContact CD2-CG 3.58Å; L120-M130 HydrophobicContact CD2-SD 4.46Å; L120-F141 HydrophobicContact CD1-CD1 3.91Å; L120-F141 HydrophobicContact CD1-CE1 3.9Å; L120-F141 HydrophobicContact CD2-CB 4.18Å; L120-F141 HydrophobicContact CD2-CD1 4.21Å; L120-F141 HydrophobicContact CD2-CG 4.07Å
121	S	96.8	Very high	94.1	Very high	31 Å²	31	38.4 Å²	38.4	22%	0.217	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	122	170.7	-171.5	0	0	0	0	110.3	M93 T123 Y128 W129	M93-S121 PolarHBondContact O-OG 2.95Å; S121-T123 PolarHBondContact O-N 2.9Å; S121-Y128 CarbonylContact O-C 3.54Å; S121-Y128 WeakPolarHBondContact O-CA 3.36Å; S121-W129 PolarHBondContact N-O 2.87Å; S121-W129 PolarHBondContact O-N 3.48Å
122	R	96.5	Very high	94	Very high	84 Å²	84	38.7 Å²	38.7	32%	0.317	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	125.7	-179.4	-173.3	179.2	174.3	-79.2	4.4	110.4	E53 E127 Y128	E53-R122 IonicContact OE1-CZ 2.86Å; E53-R122 IonicContact OE1-NE 3.47Å; E53-R122 IonicContact OE1-NH2 3.42Å; E53-R122 PolarHBondContact OE1-NH2 3.36Å; R122-E127 WeakPolarHBondContact CA-O 3.48Å; R122-Y128 HydrophobicContact CB-CD1 3.92Å; R122-Y128 HydrophobicContact CB-CE1 3.67Å; R122-Y128 HydrophobicContact CG-CE1 4.06Å
123	T	95.1	Very high	93.6	Very high	66 Å²	66	42.3 Å²	42.3	41%	0.405	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-34.6	177.2	51.7	0	0	0	0	113	S121 E127 W129	S121-T123 PolarHBondContact O-N 2.9Å; T123-E127 PolarHBondContact N-O 2.79Å; T123-E127 WeakPolarHBondContact OG1-CB 3.25Å; T123-E127 PolarHBondContact OG1-O 2.92Å; T123-W129 HydrophobicContact CG2-CG 3.99Å
124	A	94.5	Very high	93	Very high	26 Å²	26	44.2 Å²	44.2	22%	0.215	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	171.4	179.7	0	0	0	0	0	109.2	G126 E127	A124-G126 PolarHBondContact O-N 2.89Å; A124-G126 VanDerWaalsContact O-N 3.1Å; A124-E127 HydrophobicContact CB-CB 3.96Å; A124-E127 HydrophobicContact CB-CG 4.15Å; A124-E127 PolarHBondContact O-N 2.9Å
125	P	93.1	Very high	92.4	Very high	67 Å²	67	42.8 Å²	42.8	44%	0.435	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	117.3	174.2	-29.2	37.8	0	0	0	112.1	E53 E127	E53-P125 HydrophobicContact CB-CB 3.96Å; E53-P125 HydrophobicContact CG-CB 4.18Å; P125-E127 PolarHBondContact O-N 2.92Å
126	G	94.7	Very high	91.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	7.2	-178.1	0	0	0	0	0	115.7	H52 A124 F142 I143	H52-G126 WeakPolarHBondContact O-CA 3.38Å; A124-G126 PolarHBondContact O-N 2.89Å; A124-G126 VanDerWaalsContact O-N 3.1Å; G126-F142 WeakPolarHBondContact O-CA 3.48Å; G126-I143 PolarHBondContact O-N 3.38Å
127	E	96.4	Very high	91.8	Very high	44 Å²	44	58.4 Å²	58.4	21%	0.206	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.1	-178	-65.6	-177.2	-159.6	0	0	112.2	R51 R122 T123 A124 P125 F142	R51-E127 VanDerWaalsContact CD-OE1 3.27Å; R51-E127 WeakPolarHBondContact CD-OE1 3.28Å; R51-E127 IonicContact CZ-OE1 3Å; R51-E127 IonicContact NE-OE1 3.3Å; R51-E127 PolarHBondContact NE-OE1 3.24Å; R51-E127 IonicContact NH1-OE1 2.66Å; R51-E127 PolarHBondContact NH1-OE1 2.75Å; R51-E127 IonicContact NH2-OE1 3.09Å; R122-E127 WeakPolarHBondContact CA-O 3.48Å; T123-E127 PolarHBondContact N-O 2.79Å; T123-E127 WeakPolarHBondContact OG1-CB 3.25Å; T123-E127 PolarHBondContact OG1-O 2.92Å; A124-E127 HydrophobicContact CB-CB 3.96Å; A124-E127 HydrophobicContact CB-CG 4.15Å; A124-E127 PolarHBondContact O-N 2.9Å; P125-E127 PolarHBondContact O-N 2.92Å; E127-F142 HydrophobicContact CB-CD1 3.93Å; E127-F142 HydrophobicContact CB-CE1 3.87Å; E127-F142 HydrophobicContact CG-CD1 3.83Å; E127-F142 HydrophobicContact CG-CE1 3.81Å; E127-F142 HydrophobicContact CG-CG 4.46Å; E127-F142 HydrophobicContact CG-CZ 4.41Å
128	Y	97.2	Very high	91.8	Very high	3 Å²	3	57.7 Å²	57.7	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	143.8	178.7	-57.9	-99.6	0	0	0	112	I54 L98 L120 S121 R122 F141 I143	I54-Y128 WeakPolarHBondContact CG1-OH 3.29Å; L98-Y128 HydrophobicContact CD1-CE1 4.44Å; L120-Y128 HydrophobicContact CB-CD1 3.79Å; L120-Y128 HydrophobicContact CB-CG 4.21Å; S121-Y128 CarbonylContact O-C 3.54Å; S121-Y128 WeakPolarHBondContact O-CA 3.36Å; R122-Y128 HydrophobicContact CB-CD1 3.92Å; R122-Y128 HydrophobicContact CB-CE1 3.67Å; R122-Y128 HydrophobicContact CG-CE1 4.06Å; Y128-F141 WeakPolarHBondContact CB-O 3.08Å; Y128-F141 PolarHBondContact N-O 3.39Å; Y128-F141 PolarHBondContact O-N 3.42Å; Y128-I143 HydrophobicContact CD2-CG1 4.38Å; Y128-I143 HydrophobicContact CE2-CD1 4.39Å; Y128-I143 HydrophobicContact CE2-CG1 3.9Å
129	W	96.2	Very high	91.7	Very high	107 Å²	107	59.4 Å²	59.4	41%	0.405	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	124.5	155.5	-74.1	124.6	0	0	0	109.3	L120 S121 T123 F131 P138 Q140	L120-W129 CarbonylContact C-O 3.52Å; L120-W129 WeakPolarHBondContact CA-O 3.25Å; S121-W129 PolarHBondContact N-O 2.87Å; S121-W129 PolarHBondContact O-N 3.48Å; T123-W129 HydrophobicContact CG2-CG 3.99Å; W129-F131 HydrophobicContact CB-CE2 3.77Å; W129-F131 HydrophobicContact CB-CZ 4.27Å; W129-P138 HydrophobicContact CB-CB 4.24Å; W129-P138 HydrophobicContact CD2-CB 4.46Å; W129-P138 HydrophobicContact CE3-CB 4.02Å; W129-P138 HydrophobicContact CE3-CG 4.21Å; W129-Q140 HydrophobicContact CE3-CG 4.24Å; W129-Q140 HydrophobicContact CH2-CG 3.99Å; W129-Q140 HydrophobicContact CZ3-CG 3.59Å
130	M	95	Very high	91.6	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	119.4	177.5	-179.6	-176.2	70.9	0	0	110.7	F73 R118 D119 L120 T132 P138 R139 F141	F73-M130 HydrophobicContact CB-CE 4.02Å; F73-M130 HydrophobicContact CB-SD 4.41Å; F73-M130 HydrophobicContact CD1-CE 3.46Å; F73-M130 VanDerWaalsContact CD1-CE 3.46Å; F73-M130 HydrophobicContact CD1-SD 4.18Å; F73-M130 HydrophobicContact CE1-CE 4.24Å; F73-M130 HydrophobicContact CG-CE 4.06Å; F73-M130 HydrophobicContact CG-SD 4.41Å; R118-M130 HydrophobicContact CB-CG 4.06Å; R118-M130 HydrophobicContact CB-SD 4.22Å; R118-M130 WeakPolarHBondContact CD-SD 3.08Å; R118-M130 HydrophobicContact CG-CG 4.25Å; R118-M130 HydrophobicContact CG-SD 3.84Å; D119-M130 WeakPolarHBondContact O-CA 3.27Å; L120-M130 HydrophobicContact CD2-CB 3.54Å; L120-M130 HydrophobicContact CD2-CG 3.58Å; L120-M130 HydrophobicContact CD2-SD 4.46Å; M130-T132 HydrophobicContact CE-CG2 3.9Å; M130-T132 HydrophobicContact CG-CG2 3.78Å; M130-T132 HydrophobicContact SD-CG2 4.05Å; M130-P138 CarbonylContact O-C 3.52Å; M130-P138 VanDerWaalsContact O-CA 3.26Å; M130-P138 WeakPolarHBondContact O-CA 3.38Å; M130-R139 WeakPolarHBondContact CB-O 3.37Å; M130-R139 HydrophobicContact CE-CB 3.8Å; M130-R139 HydrophobicContact CE-CG 4.43Å; M130-R139 PolarHBondContact N-O 2.83Å; M130-R139 PolarHBondContact O-N 2.96Å; M130-F141 HydrophobicContact CB-CB 3.82Å; M130-F141 HydrophobicContact SD-CD2 3.82Å; M130-F141 HydrophobicContact SD-CE2 4.49Å
131	F	94	Very high	91.5	Very high	86 Å²	86	61.3 Å²	61.3	38%	0.377	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	135.4	174.3	-60.3	-96.4	0	0	0	109.1	M93 R118 D119 W129 P138	M93-F131 HydrophobicContact CE-CD2 3.28Å; M93-F131 HydrophobicContact CE-CE2 3.47Å; M93-F131 VanDerWaalsContact CE-CE2 3.47Å; M93-F131 HydrophobicContact CE-CG 4.12Å; M93-F131 HydrophobicContact CE-CZ 4.43Å; R118-F131 CarbonylContact C-O 3.57Å; R118-F131 WeakPolarHBondContact CA-O 3.41Å; D119-F131 HydrophobicContact CB-CB 4.35Å; D119-F131 PolarHBondContact N-O 2.95Å; D119-F131 PolarHBondContact O-N 3.27Å; W129-F131 HydrophobicContact CB-CE2 3.77Å; W129-F131 HydrophobicContact CB-CZ 4.27Å; F131-P138 HydrophobicContact CD1-CB 3.97Å; F131-P138 HydrophobicContact CE1-CB 3.72Å; F131-P138 HydrophobicContact CE1-CG 3.99Å; F131-P138 HydrophobicContact CE2-CB 4.3Å; F131-P138 HydrophobicContact CG-CB 4.37Å; F131-P138 HydrophobicContact CZ-CB 3.91Å; F131-P138 HydrophobicContact CZ-CG 4.25Å
132	T	90.3	Very high	91.5	Very high	22 Å²	22	60.3 Å²	60.3	14%	0.135	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	159.3	-176	71.3	0	0	0	0	109	Y116 R118 M130 D134 Y135	Y116-T132 HydrophobicContact CE1-CG2 4.07Å; Y116-T132 WeakPolarHBondContact OH-CB 3.21Å; Y116-T132 WeakPolarHBondContact OH-CG2 3.42Å; Y116-T132 PolarHBondContact OH-OG1 2.81Å; R118-T132 HydrophobicContact CG-CG2 4.09Å; M130-T132 HydrophobicContact CE-CG2 3.9Å; M130-T132 HydrophobicContact CG-CG2 3.78Å; M130-T132 HydrophobicContact SD-CG2 4.05Å; T132-D134 PolarHBondContact O-N 3.44Å; T132-Y135 VanDerWaalsContact OG1-CD2 3.26Å; T132-Y135 WeakPolarHBondContact OG1-CD2 3.41Å; T132-Y135 PolarHBondContact OG1-N 3.47Å
133	E	83.6	Confident	91.5	Very high	130 Å²	130	56.4 Å²	56.4	61%	0.607	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-21.4	179.3	-63.8	173.3	150.4	0	0	113.2	R224	E133-R224 IonicContact OE1-CZ 3.07Å; E133-R224 IonicContact OE1-NH1 2.88Å; E133-R224 IonicContact OE1-NH2 3.27Å; E133-R224 PolarHBondContact OE1-NH2 3.2Å; E133-R224 IonicContact OE2-CZ 3.43Å; E133-R224 IonicContact OE2-NH1 2.69Å; E133-R224 PolarHBondContact OE2-NH1 3.35Å; E133-R224 IonicContact OE2-NH2 2.63Å; E133-R224 PolarHBondContact OE2-NH2 3.21Å
134	D	78.9	Confident	91.6	Very high	62 Å²	62	54.5 Å²	54.5	33%	0.332	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-16.3	-169.7	-78.5	-7.8	0	0	0	114.3	Q75 Y116 T132	Q75-D134 HydrophobicContact CG-CB 4.3Å; Q75-D134 PolarHBondContact NE2-O 3.24Å; Y116-D134 HydrophobicContact CE2-CB 4.18Å; Y116-D134 WeakPolarHBondContact CE2-OD2 3.37Å; T132-D134 PolarHBondContact O-N 3.44Å
135	Y	77.5	Confident	91.7	Very high	42 Å²	42	53.8 Å²	53.8	17%	0.165	25%	0.247	C	C	.	.			trans	-118.6	133.4	-177.3	-65.7	-67.8	0	0	0	110.9	Q75 T132 Y137 R139	Q75-Y135 HydrophobicContact CG-CE1 4.3Å; Q75-Y135 HydrophobicContact CG-CE2 4.39Å; Q75-Y135 WeakPolarHBondContact CG-OH 3.25Å; T132-Y135 VanDerWaalsContact OG1-CD2 3.26Å; T132-Y135 WeakPolarHBondContact OG1-CD2 3.41Å; T132-Y135 PolarHBondContact OG1-N 3.47Å; Y135-Y137 VanDerWaalsContact C-N 3.26Å; Y135-Y137 WeakPolarHBondContact CB-O 3.34Å; Y135-Y137 PolarHBondContact O-N 2.68Å; Y135-R139 HydrophobicContact CD2-CG 4.22Å; Y135-R139 VanDerWaalsContact CE2-CD 3.48Å; Y135-R139 HydrophobicContact CG-CG 4.43Å; Y135-R139 PolarHBondContact OH-NH1 3Å
136	F	82.5	Confident	91.9	Very high	214 Å²	214	51.2 Å²	51.2	94%	0.939	23%	0.23	S	C	*	.	S	Bend	trans	-68.1	-26.2	176.3	-176	-102.8	0	0	0	113.1
137	Y	87.4	Confident	92	Very high	150 Å²	150	51.5 Å²	51.5	59%	0.588	23%	0.233	S	C	*	.	S	Bend	trans	-120.2	148.3	-179.7	57.3	-91.8	0	0	0	111.1	Y135 R139	Y135-Y137 VanDerWaalsContact C-N 3.26Å; Y135-Y137 WeakPolarHBondContact CB-O 3.34Å; Y135-Y137 PolarHBondContact O-N 2.68Å; Y137-R139 HydrophobicContact CE2-CG 4.35Å
138	P	91.9	Very high	92.1	Very high	44 Å²	44	52 Å²	52	29%	0.286	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-66	142.5	176.3	27.6	-33.9	0	0	0	110.9	W129 M130 F131	W129-P138 HydrophobicContact CB-CB 4.24Å; W129-P138 HydrophobicContact CD2-CB 4.46Å; W129-P138 HydrophobicContact CE3-CB 4.02Å; W129-P138 HydrophobicContact CE3-CG 4.21Å; M130-P138 CarbonylContact O-C 3.52Å; M130-P138 VanDerWaalsContact O-CA 3.26Å; M130-P138 WeakPolarHBondContact O-CA 3.38Å; F131-P138 HydrophobicContact CD1-CB 3.97Å; F131-P138 HydrophobicContact CE1-CB 3.72Å; F131-P138 HydrophobicContact CE1-CG 3.99Å; F131-P138 HydrophobicContact CE2-CB 4.3Å; F131-P138 HydrophobicContact CG-CB 4.37Å; F131-P138 HydrophobicContact CZ-CB 3.91Å; F131-P138 HydrophobicContact CZ-CG 4.25Å
139	R	91.2	Very high	92.1	Very high	38 Å²	38	55.3 Å²	55.3	14%	0.143	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	155.6	175.8	-64.1	-172	66.7	-175.5	-4.3	110.4	N72 M130 Y135 Y137 D161 S166	N72-R139 PolarHBondContact O-NH1 3.21Å; M130-R139 WeakPolarHBondContact CB-O 3.37Å; M130-R139 HydrophobicContact CE-CB 3.8Å; M130-R139 HydrophobicContact CE-CG 4.43Å; M130-R139 PolarHBondContact N-O 2.83Å; M130-R139 PolarHBondContact O-N 2.96Å; Y135-R139 HydrophobicContact CD2-CG 4.22Å; Y135-R139 VanDerWaalsContact CE2-CD 3.48Å; Y135-R139 HydrophobicContact CG-CG 4.43Å; Y135-R139 PolarHBondContact OH-NH1 3Å; Y137-R139 HydrophobicContact CE2-CG 4.35Å; R139-D161 IonicContact NH2-OD2 3.4Å; R139-S166 PolarHBondContact NH2-OG 2.91Å
140	Q	93.5	Very high	92.2	Very high	68 Å²	68	53.3 Å²	53.3	32%	0.318	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	132.2	173.4	-68.9	164.7	-30.1	0	0	109.8	F73 W129 F142	F73-Q140 WeakPolarHBondContact CE1-O 3.3Å; W129-Q140 HydrophobicContact CE3-CG 4.24Å; W129-Q140 HydrophobicContact CH2-CG 3.99Å; W129-Q140 HydrophobicContact CZ3-CG 3.59Å; Q140-F142 HydrophobicContact CB-CD1 4.42Å; Q140-F142 HydrophobicContact CB-CE1 3.9Å; Q140-F142 HydrophobicContact CB-CE2 4.34Å; Q140-F142 HydrophobicContact CB-CZ 3.86Å; Q140-F142 HydrophobicContact CG-CE1 4.17Å; Q140-F142 HydrophobicContact CG-CZ 3.88Å
141	F	95.3	Very high	92.2	Very high	3 Å²	3	61.1 Å²	61.1	1%	0.013	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	101.7	174.6	-172.8	-83.4	0	0	0	108.2	F73 L120 Y128 M130 I143 A159 T168	F73-F141 HydrophobicContact CD1-CD2 4.46Å; F73-F141 HydrophobicContact CD2-CD2 4.31Å; F73-F141 HydrophobicContact CD2-CE2 4.24Å; F73-F141 HydrophobicContact CE1-CD2 4.13Å; F73-F141 AromaticContact CE2-CD2 3.97Å; F73-F141 HydrophobicContact CE2-CD2 3.97Å; F73-F141 HydrophobicContact CE2-CE2 4.03Å; F73-F141 AromaticContact CZ-CD2 3.84Å; F73-F141 HydrophobicContact CZ-CD2 3.84Å; F73-F141 HydrophobicContact CZ-CE2 4.37Å; L120-F141 HydrophobicContact CD1-CD1 3.91Å; L120-F141 HydrophobicContact CD1-CE1 3.9Å; L120-F141 HydrophobicContact CD2-CB 4.18Å; L120-F141 HydrophobicContact CD2-CD1 4.21Å; L120-F141 HydrophobicContact CD2-CG 4.07Å; Y128-F141 WeakPolarHBondContact CB-O 3.08Å; Y128-F141 PolarHBondContact N-O 3.39Å; Y128-F141 PolarHBondContact O-N 3.42Å; M130-F141 HydrophobicContact CB-CB 3.82Å; M130-F141 HydrophobicContact SD-CD2 3.82Å; M130-F141 HydrophobicContact SD-CE2 4.49Å; F141-I143 HydrophobicContact CD1-CD1 4.23Å; F141-I143 HydrophobicContact CE1-CD1 3.74Å; F141-A159 HydrophobicContact CD1-CB 4.18Å; F141-A159 HydrophobicContact CD2-CB 4.31Å; F141-A159 HydrophobicContact CE1-CB 3.49Å; F141-A159 VanDerWaalsContact CE1-CB 3.49Å; F141-A159 HydrophobicContact CE2-CB 3.66Å; F141-A159 HydrophobicContact CZ-CB 3.2Å; F141-T168 HydrophobicContact CE2-CG2 4.14Å; F141-T168 HydrophobicContact CZ-CG2 4.45Å
142	F	96.2	Very high	92.4	Very high	9 Å²	9	59.3 Å²	59.3	4%	0.039	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	134	-175.7	-60.4	-19.6	0	0	0	109.7	F49 G126 E127 Q140 F144 A159 T160 A162	F49-F142 HydrophobicContact CE2-CB 4.23Å; F49-F142 HydrophobicContact CZ-CB 4.11Å; F49-F142 AromaticContact CZ-CD2 3.8Å; F49-F142 HydrophobicContact CZ-CD2 3.8Å; F49-F142 HydrophobicContact CZ-CG 4.48Å; G126-F142 WeakPolarHBondContact O-CA 3.48Å; E127-F142 HydrophobicContact CB-CD1 3.93Å; E127-F142 HydrophobicContact CB-CE1 3.87Å; E127-F142 HydrophobicContact CG-CD1 3.83Å; E127-F142 HydrophobicContact CG-CE1 3.81Å; E127-F142 HydrophobicContact CG-CG 4.46Å; E127-F142 HydrophobicContact CG-CZ 4.41Å; Q140-F142 HydrophobicContact CB-CD1 4.42Å; Q140-F142 HydrophobicContact CB-CE1 3.9Å; Q140-F142 HydrophobicContact CB-CE2 4.34Å; Q140-F142 HydrophobicContact CB-CZ 3.86Å; Q140-F142 HydrophobicContact CG-CE1 4.17Å; Q140-F142 HydrophobicContact CG-CZ 3.88Å; F142-F144 PolarHBondContact O-N 3.15Å; F142-A159 CarbonylContact O-C 3.59Å; F142-A159 VanDerWaalsContact O-CA 3.25Å; F142-A159 WeakPolarHBondContact O-CA 3.3Å; F142-T160 WeakPolarHBondContact CB-O 3.41Å; F142-T160 PolarHBondContact N-O 2.91Å; F142-T160 PolarHBondContact O-N 2.81Å; F142-A162 HydrophobicContact CD2-CB 4.29Å; F142-A162 HydrophobicContact CE2-CB 3.56Å; F142-A162 HydrophobicContact CZ-CB 4.35Å
143	I	97.3	Very high	92.7	Very high	2 Å²	2	60 Å²	60	1%	0.01	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	111	173.3	-50.5	-56.2	0	0	0	107.6	R51 H52 I54 G126 Y128 F141 V146 L157 A159	R51-I143 WeakPolarHBondContact CA-O 3.45Å; H52-I143 HydrophobicContact CB-CG2 4.16Å; H52-I143 PolarHBondContact N-O 3.02Å; H52-I143 WeakPolarHBondContact O-CB 3.32Å; I54-I143 HydrophobicContact CD1-CG1 4.46Å; I54-I143 HydrophobicContact CG2-CB 4.36Å; I54-I143 HydrophobicContact CG2-CG1 4.12Å; I54-I143 HydrophobicContact CG2-CG2 3.78Å; G126-I143 PolarHBondContact O-N 3.38Å; Y128-I143 HydrophobicContact CD2-CG1 4.38Å; Y128-I143 HydrophobicContact CE2-CD1 4.39Å; Y128-I143 HydrophobicContact CE2-CG1 3.9Å; F141-I143 HydrophobicContact CD1-CD1 4.23Å; F141-I143 HydrophobicContact CE1-CD1 3.74Å; I143-V146 HydrophobicContact CG2-CG1 3.81Å; I143-L157 HydrophobicContact CD1-CD1 4.07Å; I143-L157 HydrophobicContact CD1-CD2 3.99Å; I143-L157 HydrophobicContact CD1-CG 4.26Å; I143-L157 HydrophobicContact CG2-CG 4.5Å; I143-A159 HydrophobicContact CD1-CB 4.41Å
144	F	95.9	Very high	93.4	Very high	27 Å²	27	54.7 Å²	54.7	12%	0.118	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-42.3	177.6	-178.7	-101.2	0	0	0	111	F49 F142 I158 T160 K188 F194	F49-F144 HydrophobicContact CB-CE2 4.27Å; F49-F144 AromaticContact CD2-CD2 3.56Å; F49-F144 HydrophobicContact CD2-CD2 3.56Å; F49-F144 HydrophobicContact CD2-CE2 4.07Å; F49-F144 AromaticContact CE2-CD2 3.95Å; F49-F144 HydrophobicContact CE2-CD2 3.95Å; F49-F144 HydrophobicContact CG-CD2 4.25Å; F49-F144 HydrophobicContact CG-CE2 4.36Å; F142-F144 PolarHBondContact O-N 3.15Å; F144-I158 HydrophobicContact CB-CB 4.22Å; F144-I158 HydrophobicContact CB-CG2 3.9Å; F144-I158 HydrophobicContact CD1-CB 4.35Å; F144-I158 HydrophobicContact CD1-CD1 4.45Å; F144-I158 HydrophobicContact CD1-CG2 3.9Å; F144-I158 HydrophobicContact CG-CG2 4.28Å; F144-I158 PolarHBondContact N-O 3.15Å; F144-T160 HydrophobicContact CB-CG2 3.95Å; F144-T160 HydrophobicContact CD2-CG2 4.36Å; F144-K188 HydrophobicContact CE1-CG 4.17Å; F144-F194 HydrophobicContact CD2-CE2 4.02Å; F144-F194 HydrophobicContact CE1-CE2 4.41Å; F144-F194 AromaticContact CE2-CE2 3.87Å; F144-F194 HydrophobicContact CE2-CE2 3.87Å; F144-F194 HydrophobicContact CG-CE2 4.39Å; F144-F194 HydrophobicContact CZ-CE2 4.08Å
145	D	96.5	Very high	94.4	Very high	10 Å²	10	53.3 Å²	53.3	5%	0.053	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	161	-179.7	-167.3	40.5	0	0	0	111.6	Y156 I158 K188	D145-Y156 PolarHBondContact OD2-OH 3.05Å; D145-I158 HydrophobicContact CB-CB 4.23Å; D145-I158 HydrophobicContact CB-CD1 3.97Å; D145-I158 HydrophobicContact CB-CG1 4.22Å; D145-I158 PolarHBondContact N-O 2.84Å; D145-I158 PolarHBondContact O-N 3.19Å; D145-K188 HydrophobicContact CB-CD 4.04Å; D145-K188 IonicContact OD1-NZ 2.65Å; D145-K188 PolarHBondContact OD1-NZ 2.85Å; D145-K188 WeakPolarHBondContact OD2-CD 3.29Å; D145-K188 WeakPolarHBondContact OD2-CE 3.33Å; D145-K188 IonicContact OD2-NZ 2.7Å; D145-K188 PolarHBondContact OD2-NZ 2.86Å
146	V	97.8	Very high	95.4	Very high	14 Å²	14	51.4 Å²	51.4	9%	0.085	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	152.1	168.7	-62.4	0	0	0	0	111	H52 I54 I143 Y154 Y156 L157	H52-V146 WeakPolarHBondContact CD2-CG2 3.38Å; H52-V146 WeakPolarHBondContact NE2-CG2 3.36Å; I54-V146 HydrophobicContact CG2-CG1 3.52Å; I143-V146 HydrophobicContact CG2-CG1 3.81Å; V146-Y154 HydrophobicContact CB-CD1 3.85Å; V146-Y154 HydrophobicContact CB-CE1 4.06Å; V146-Y154 HydrophobicContact CB-CG 4.25Å; V146-Y154 HydrophobicContact CG2-CD1 3.8Å; V146-Y154 HydrophobicContact CG2-CE1 3.55Å; V146-Y156 WeakPolarHBondContact CA-O 3.31Å; V146-L157 HydrophobicContact CG1-CG 4.37Å
147	G	97.6	Very high	96.1	Very high	6 Å²	6	41.9 Å²	41.9	6%	0.062	23%	0.228	C	C	.	.			trans	-74.9	176.4	175	0	0	0	0	0	113.4	Y154 Y156	G147-Y154 WeakPolarHBondContact O-CD1 3.19Å; G147-Y156 VanDerWaalsContact CA-CD1 3.41Å; G147-Y156 PolarHBondContact N-O 3.23Å
148	P	97.8	Very high	96.6	Very high	55 Å²	55	34.8 Å²	34.8	36%	0.357	20%	0.2	S	C	.	.			trans	-60.5	158.4	173.6	28.7	-35.4	0	0	0	111.1	E155 Y181	P148-E155 HydrophobicContact CG-CB 4.47Å; P148-E155 HydrophobicContact CG-CG 4.32Å; P148-E155 PolarHBondContact O-N 3.41Å; P148-Y181 HydrophobicContact CG-CE1 3.72Å; P148-Y181 WeakPolarHBondContact CG-OH 3.4Å
149	V	98.1	Very high	96.8	Very high	71 Å²	71	32.7 Å²	32.7	43%	0.43	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	114.2	174.7	-179.1	0	0	0	0	108.9	K58 S153 Y154	K58-V149 HydrophobicContact CD-CG1 3.98Å; K58-V149 HydrophobicContact CD-CG2 3.78Å; V149-S153 CarbonylContact C-O 3.57Å; V149-S153 VanDerWaalsContact CA-O 3.24Å; V149-S153 WeakPolarHBondContact CA-O 3.44Å; V149-Y154 HydrophobicContact CG2-CD1 3.71Å; V149-Y154 HydrophobicContact CG2-CE1 3.71Å
150	I	97.6	Very high	96.9	Very high	66 Å²	66	30.9 Å²	30.9	34%	0.338	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133.2	174	-57.9	-174.6	0	0	0	107.8	G152 S153 E155 Y181	I150-G152 PolarHBondContact O-N 2.76Å; I150-G152 VanDerWaalsContact O-N 3.1Å; I150-S153 PolarHBondContact N-O 2.8Å; I150-S153 PolarHBondContact O-N 3.03Å; I150-S153 VanDerWaalsContact O-O 3.12Å; I150-E155 HydrophobicContact CB-CG 3.93Å; I150-E155 HydrophobicContact CD1-CG 3.67Å; I150-E155 HydrophobicContact CG1-CG 3.68Å; I150-Y181 WeakPolarHBondContact CD1-OH 3.24Å
151	N	95.6	Very high	96.8	Very high	165 Å²	165	28.2 Å²	28.2	88%	0.882	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	36.8	-176.8	-60.1	-29.3	0	0	0	113.6	S153	N151-S153 VanDerWaalsContact C-N 3.3Å; N151-S153 PolarHBondContact O-N 2.8Å
152	G	96.9	Very high	96.6	Very high	48 Å²	48	29.1 Å²	29.1	50%	0.495	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	7.2	178.7	0	0	0	0	0	115.4	K58 I150	K58-G152 WeakPolarHBondContact CG-O 3.48Å; I150-G152 PolarHBondContact O-N 2.76Å; I150-G152 VanDerWaalsContact O-N 3.1Å
153	S	97.9	Very high	96.2	Very high	37 Å²	37	31.8 Å²	31.8	26%	0.259	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	149.5	177.9	-68.5	0	0	0	0	111.8	K58 V149 I150 N151	K58-S153 WeakPolarHBondContact O-CA 3.33Å; V149-S153 CarbonylContact C-O 3.57Å; V149-S153 VanDerWaalsContact CA-O 3.24Å; V149-S153 WeakPolarHBondContact CA-O 3.44Å; I150-S153 PolarHBondContact N-O 2.8Å; I150-S153 PolarHBondContact O-N 3.03Å; I150-S153 VanDerWaalsContact O-O 3.12Å; N151-S153 VanDerWaalsContact C-N 3.3Å; N151-S153 PolarHBondContact O-N 2.8Å
154	Y	98.6	Very high	95.7	Very high	17 Å²	17	32.1 Å²	32.1	7%	0.067	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	137.8	168.5	-64.7	-65.6	0	0	0	110.2	I54 D55 K58 A59 W63 V146 G147 V149 R172	I54-Y154 HydrophobicContact CB-CE2 4.05Å; I54-Y154 HydrophobicContact CG2-CE2 4.46Å; D55-Y154 HydrophobicContact CB-CE2 4.44Å; D55-Y154 PolarHBondContact N-OH 3.45Å; D55-Y154 WeakPolarHBondContact O-CE2 3.27Å; K58-Y154 HydrophobicContact CB-CD2 3.55Å; K58-Y154 HydrophobicContact CB-CE2 3.5Å; K58-Y154 VanDerWaalsContact CB-CE2 3.5Å; K58-Y154 HydrophobicContact CB-CG 4.23Å; K58-Y154 HydrophobicContact CD-CE2 4.38Å; K58-Y154 HydrophobicContact CG-CE2 4.48Å; K58-Y154 PolarHBondContact O-N 3.14Å; K58-Y154 VanDerWaalsContact O-N 3.09Å; A59-Y154 HydrophobicContact CB-CD2 4.41Å; W63-Y154 WeakPolarHBondContact CH2-O 2.94Å; V146-Y154 HydrophobicContact CB-CD1 3.85Å; V146-Y154 HydrophobicContact CB-CE1 4.06Å; V146-Y154 HydrophobicContact CB-CG 4.25Å; V146-Y154 HydrophobicContact CG2-CD1 3.8Å; V146-Y154 HydrophobicContact CG2-CE1 3.55Å; G147-Y154 WeakPolarHBondContact O-CD1 3.19Å; V149-Y154 HydrophobicContact CG2-CD1 3.71Å; V149-Y154 HydrophobicContact CG2-CE1 3.71Å; Y154-R172 WeakPolarHBondContact O-CG 3.35Å; Y154-R172 PolarHBondContact O-NE 3.31Å
155	E	98.3	Very high	95.3	Very high	33 Å²	33	32.9 Å²	32.9	15%	0.154	20%	0.196	C	C	.	.	S	Bend	trans	-80.1	-33.6	179.7	-70.6	-65.3	95.4	0	0	113.7	P148 I150 A171 R172 Y181	P148-E155 HydrophobicContact CG-CB 4.47Å; P148-E155 HydrophobicContact CG-CG 4.32Å; P148-E155 PolarHBondContact O-N 3.41Å; I150-E155 HydrophobicContact CB-CG 3.93Å; I150-E155 HydrophobicContact CD1-CG 3.67Å; I150-E155 HydrophobicContact CG1-CG 3.68Å; E155-A171 WeakPolarHBondContact O-CA 3.47Å; E155-R172 PolarHBondContact O-N 2.97Å; E155-Y181 HydrophobicContact CB-CD2 4.43Å; E155-Y181 HydrophobicContact CB-CE2 3.71Å; E155-Y181 HydrophobicContact CG-CE2 4.11Å
156	Y	98.6	Very high	95	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.008	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	158.7	174	72.7	-104.2	0	0	0	111.3	D145 V146 G147 I158 F170 F177 Y181 Q184 V185	D145-Y156 PolarHBondContact OD2-OH 3.05Å; V146-Y156 WeakPolarHBondContact CA-O 3.31Å; G147-Y156 VanDerWaalsContact CA-CD1 3.41Å; G147-Y156 PolarHBondContact N-O 3.23Å; Y156-I158 HydrophobicContact CD2-CD1 4.4Å; Y156-I158 HydrophobicContact CD2-CG1 3.96Å; Y156-I158 HydrophobicContact CE2-CD1 4.02Å; Y156-I158 HydrophobicContact CE2-CG1 4Å; Y156-F170 CarbonylContact C-O 3.5Å; Y156-F170 WeakPolarHBondContact CA-O 3.4Å; Y156-F170 WeakPolarHBondContact CB-O 3.49Å; Y156-F177 HydrophobicContact CD1-CE2 4.38Å; Y156-F177 HydrophobicContact CG-CD2 4.42Å; Y156-F177 HydrophobicContact CG-CE2 4.12Å; Y156-Y181 HydrophobicContact CD1-CD1 4.31Å; Y156-Y181 HydrophobicContact CD1-CD2 4.03Å; Y156-Y181 AromaticContact CD1-CG 3.81Å; Y156-Y181 HydrophobicContact CD1-CG 3.81Å; Y156-Y181 HydrophobicContact CE1-CD1 4.1Å; Y156-Y181 AromaticContact CE1-CG 3.99Å; Y156-Y181 HydrophobicContact CE1-CG 3.99Å; Y156-Q184 PolarHBondContact OH-NE2 2.85Å; Y156-V185 HydrophobicContact CD1-CG2 4.3Å; Y156-V185 HydrophobicContact CD2-CG2 4.2Å; Y156-V185 HydrophobicContact CE1-CG2 3.94Å; Y156-V185 HydrophobicContact CE2-CG2 3.87Å; Y156-V185 HydrophobicContact CG-CG2 4.43Å
157	L	98	Very high	94.8	Very high	15 Å²	15	31.8 Å²	31.8	8%	0.079	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	129.1	174.5	-179.8	153.1	0	0	0	109.1	I54 W63 I143 V146 A159 I169 F170	I54-L157 HydrophobicContact CD1-CD1 4.44Å; W63-L157 HydrophobicContact CH2-CB 4.07Å; W63-L157 HydrophobicContact CZ3-CB 4.24Å; I143-L157 HydrophobicContact CD1-CD1 4.07Å; I143-L157 HydrophobicContact CD1-CD2 3.99Å; I143-L157 HydrophobicContact CD1-CG 4.26Å; I143-L157 HydrophobicContact CG2-CG 4.5Å; V146-L157 HydrophobicContact CG1-CG 4.37Å; L157-A159 HydrophobicContact CD2-CB 3.95Å; L157-I169 WeakPolarHBondContact O-CA 3.19Å; L157-F170 HydrophobicContact CD2-CD2 4.26Å; L157-F170 PolarHBondContact N-O 3.04Å; L157-F170 PolarHBondContact O-N 2.79Å
158	I	97.3	Very high	94.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.9	176.6	-51.5	-175.9	0	0	0	108	F144 D145 Y156 L167 I169 V185 L189	F144-I158 HydrophobicContact CB-CB 4.22Å; F144-I158 HydrophobicContact CB-CG2 3.9Å; F144-I158 HydrophobicContact CD1-CB 4.35Å; F144-I158 HydrophobicContact CD1-CD1 4.45Å; F144-I158 HydrophobicContact CD1-CG2 3.9Å; F144-I158 HydrophobicContact CG-CG2 4.28Å; F144-I158 PolarHBondContact N-O 3.15Å; D145-I158 HydrophobicContact CB-CB 4.23Å; D145-I158 HydrophobicContact CB-CD1 3.97Å; D145-I158 HydrophobicContact CB-CG1 4.22Å; D145-I158 PolarHBondContact N-O 2.84Å; D145-I158 PolarHBondContact O-N 3.19Å; Y156-I158 HydrophobicContact CD2-CD1 4.4Å; Y156-I158 HydrophobicContact CD2-CG1 3.96Å; Y156-I158 HydrophobicContact CE2-CD1 4.02Å; Y156-I158 HydrophobicContact CE2-CG1 4Å; I158-L167 HydrophobicContact CG2-CD1 3.75Å; I158-I169 HydrophobicContact CG1-CD1 4.47Å; I158-I169 HydrophobicContact CG1-CG1 4.4Å; I158-I169 HydrophobicContact CG1-CG2 4.18Å; I158-I169 HydrophobicContact CG2-CG1 4.23Å; I158-V185 HydrophobicContact CD1-CG1 3.74Å; I158-V185 HydrophobicContact CD1-CG2 4.3Å; I158-L189 HydrophobicContact CD1-CD2 4.42Å; I158-L189 HydrophobicContact CG2-CD2 4Å
159	A	96.1	Very high	94.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	144.8	176.5	0	0	0	0	0	112.4	F141 F142 I143 L157 T168	F141-A159 HydrophobicContact CD1-CB 4.18Å; F141-A159 HydrophobicContact CD2-CB 4.31Å; F141-A159 HydrophobicContact CE1-CB 3.49Å; F141-A159 VanDerWaalsContact CE1-CB 3.49Å; F141-A159 HydrophobicContact CE2-CB 3.66Å; F141-A159 HydrophobicContact CZ-CB 3.2Å; F142-A159 CarbonylContact O-C 3.59Å; F142-A159 VanDerWaalsContact O-CA 3.25Å; F142-A159 WeakPolarHBondContact O-CA 3.3Å; I143-A159 HydrophobicContact CD1-CB 4.41Å; L157-A159 HydrophobicContact CD2-CB 3.95Å; A159-T168 HydrophobicContact CB-CG2 3.85Å; A159-T168 PolarHBondContact N-O 2.89Å; A159-T168 PolarHBondContact O-N 2.58Å
160	T	94.4	Very high	94.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	166.5	-175.7	-178.9	0	0	0	0	111.1	F49 F142 F144 R164 S166 F194	F49-T160 HydrophobicContact CE1-CG2 4.31Å; F49-T160 HydrophobicContact CE2-CG2 3.62Å; F49-T160 HydrophobicContact CZ-CG2 3.41Å; F49-T160 VanDerWaalsContact CZ-CG2 3.41Å; F142-T160 WeakPolarHBondContact CB-O 3.41Å; F142-T160 PolarHBondContact N-O 2.91Å; F142-T160 PolarHBondContact O-N 2.81Å; F144-T160 HydrophobicContact CB-CG2 3.95Å; F144-T160 HydrophobicContact CD2-CG2 4.36Å; T160-R164 WeakPolarHBondContact OG1-CA 3.41Å; T160-S166 WeakPolarHBondContact CA-O 3.36Å; T160-S166 WeakPolarHBondContact CB-O 3Å; T160-S166 PolarHBondContact OG1-O 3.17Å; T160-F194 HydrophobicContact CG2-CZ 4.05Å; T160-F194 WeakPolarHBondContact OG1-CZ 3.26Å
161	D	91.9	Very high	94.6	Very high	13 Å²	13	22.7 Å²	22.7	7%	0.07	14%	0.135	C	C	.	.			trans	-88.2	175.1	166.6	61.2	27.4	0	0	0	112	F73 R139 N163 R164 I165 S166	F73-D161 HydrophobicContact CE1-CB 4.33Å; R139-D161 IonicContact NH2-OD2 3.4Å; D161-N163 PolarHBondContact O-N 3.37Å; D161-N163 PolarHBondContact OD1-N 2.76Å; D161-R164 PolarHBondContact O-N 3.49Å; D161-R164 PolarHBondContact OD1-N 2.83Å; D161-I165 PolarHBondContact OD1-N 3Å; D161-S166 PolarHBondContact N-O 3.48Å; D161-S166 PolarHBondContact OD1-N 3.26Å; D161-S166 VanDerWaalsContact OD2-CB 3.25Å; D161-S166 WeakPolarHBondContact OD2-CB 3.45Å; D161-S166 PolarHBondContact OD2-N 2.9Å; D161-S166 PolarHBondContact OD2-OG 3.33Å
162	A	89.3	Confident	94.7	Very high	22 Å²	22	16.7 Å²	16.7	18%	0.182	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.4	-179	0	0	0	0	0	113.8	F142	F142-A162 HydrophobicContact CD2-CB 4.29Å; F142-A162 HydrophobicContact CE2-CB 3.56Å; F142-A162 HydrophobicContact CZ-CB 4.35Å
163	N	88	Confident	94.8	Very high	65 Å²	65	17.7 Å²	17.7	35%	0.348	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	2.9	-174	-63.2	-23.3	0	0	0	112.3	M45 D161 I165	M45-N163 WeakPolarHBondContact CA-O 3.5Å; M45-N163 HydrophobicContact CG-CB 3.94Å; M45-N163 WeakPolarHBondContact CG-O 3.48Å; M45-N163 CarbonylContact O-C 3.59Å; M45-N163 VanDerWaalsContact O-CA 3.29Å; M45-N163 WeakPolarHBondContact O-CA 3.33Å; D161-N163 PolarHBondContact O-N 3.37Å; D161-N163 PolarHBondContact OD1-N 2.76Å; N163-I165 HydrophobicContact CB-CD1 3.81Å; N163-I165 HydrophobicContact CB-CG1 3.88Å; N163-I165 PolarHBondContact O-N 2.96Å; N163-I165 VanDerWaalsContact O-N 3.17Å
164	R	88.3	Confident	94.8	Very high	8 Å²	8	16.4 Å²	16.4	3%	0.03	9%	0.085	C	C	.	.	S	Bend	trans	56.3	31	-176.8	-47.8	177.2	-161.6	172.2	5.9	112.8	H44 Q47 K48 F49 T160 D161 G192 F194 N201	H44-R164 PolarHBondContact O-NE 3.33Å; H44-R164 PolarHBondContact O-NH1 3.41Å; Q47-R164 VanDerWaalsContact C-NH2 3.31Å; Q47-R164 VanDerWaalsContact CB-NH2 3.34Å; Q47-R164 PolarHBondContact O-NH2 3.48Å; K48-R164 PolarHBondContact O-NH2 3.28Å; F49-R164 HydrophobicContact CD1-CG 4.23Å; F49-R164 HydrophobicContact CE1-CG 4.14Å; T160-R164 WeakPolarHBondContact OG1-CA 3.41Å; D161-R164 PolarHBondContact O-N 3.49Å; D161-R164 PolarHBondContact OD1-N 2.83Å; R164-G192 VanDerWaalsContact CD-O 3.27Å; R164-G192 WeakPolarHBondContact CD-O 3.34Å; R164-G192 PolarHBondContact NH1-O 2.89Å; R164-F194 HydrophobicContact CB-CD1 4.35Å; R164-F194 HydrophobicContact CB-CE1 3.67Å; R164-F194 HydrophobicContact CB-CZ 3.75Å; R164-F194 HydrophobicContact CG-CE1 4.34Å; R164-F194 HydrophobicContact CG-CE2 4.41Å; R164-F194 HydrophobicContact CG-CZ 3.9Å; R164-N201 WeakPolarHBondContact O-CB 3.49Å; R164-N201 PolarHBondContact O-ND2 3.2Å
165	I	86.9	Confident	94.7	Very high	44 Å²	44	19 Å²	19	23%	0.226	10%	0.102	C	C	.	.			trans	-87.2	-50	176.5	-65.2	173.6	0	0	0	108.5	M45 V71 D161 N163	M45-I165 HydrophobicContact CE-CD1 4.42Å; M45-I165 HydrophobicContact CE-CG1 4.14Å; M45-I165 HydrophobicContact CG-CG1 4.44Å; M45-I165 HydrophobicContact SD-CD1 4.24Å; M45-I165 HydrophobicContact SD-CG1 4.38Å; V71-I165 HydrophobicContact CB-CG2 3.71Å; V71-I165 HydrophobicContact CG1-CG2 3.5Å; V71-I165 VanDerWaalsContact CG1-CG2 3.5Å; V71-I165 HydrophobicContact CG2-CG2 4.13Å; D161-I165 PolarHBondContact OD1-N 3Å; N163-I165 HydrophobicContact CB-CD1 3.81Å; N163-I165 HydrophobicContact CB-CG1 3.88Å; N163-I165 PolarHBondContact O-N 2.96Å; N163-I165 VanDerWaalsContact O-N 3.17Å
166	S	90.1	Very high	94.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.111	C	C	.	.			trans	-89.3	135.8	176.9	-44.7	0	0	0	0	110.8	V71 R139 T160 D161	V71-S166 WeakPolarHBondContact O-CA 3.47Å; R139-S166 PolarHBondContact NH2-OG 2.91Å; T160-S166 WeakPolarHBondContact CA-O 3.36Å; T160-S166 WeakPolarHBondContact CB-O 3Å; T160-S166 PolarHBondContact OG1-O 3.17Å; D161-S166 PolarHBondContact N-O 3.48Å; D161-S166 PolarHBondContact OD1-N 3.26Å; D161-S166 VanDerWaalsContact OD2-CB 3.25Å; D161-S166 WeakPolarHBondContact OD2-CB 3.45Å; D161-S166 PolarHBondContact OD2-N 2.9Å; D161-S166 PolarHBondContact OD2-OG 3.33Å
167	L	92.8	Very high	94.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	132.9	175.8	177.2	68.1	0	0	0	109.7	K68 A69 N72 I158 I169 L189 F194 P203	K68-L167 CarbonylContact C-O 3.54Å; K68-L167 VanDerWaalsContact CA-O 3.27Å; K68-L167 WeakPolarHBondContact CA-O 3.36Å; A69-L167 HydrophobicContact CB-CB 3.72Å; A69-L167 PolarHBondContact N-O 2.71Å; N72-L167 PolarHBondContact OD1-O 2.91Å; I158-L167 HydrophobicContact CG2-CD1 3.75Å; L167-I169 HydrophobicContact CD1-CG1 4.36Å; L167-I169 HydrophobicContact CG-CG1 4.44Å; L167-L189 HydrophobicContact CD1-CD2 3.85Å; L167-L189 HydrophobicContact CD2-CD1 4.41Å; L167-L189 HydrophobicContact CD2-CD2 4.09Å; L167-F194 HydrophobicContact CB-CD1 4.3Å; L167-F194 HydrophobicContact CB-CE1 4.19Å; L167-F194 HydrophobicContact CD1-CD1 4.19Å; L167-F194 HydrophobicContact CD1-CE1 3.95Å; L167-F194 HydrophobicContact CD1-CZ 4.3Å; L167-F194 HydrophobicContact CD2-CD1 4.04Å; L167-F194 HydrophobicContact CD2-CG 4.47Å; L167-F194 HydrophobicContact CG-CD1 4.41Å; L167-F194 HydrophobicContact CG-CE1 4.46Å; L167-P203 HydrophobicContact CD2-CB 4.04Å; L167-P203 HydrophobicContact CD2-CG 3.73Å
168	T	94.6	Very high	94.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	140.6	166.9	-174.1	0	0	0	0	110.3	Q65 F73 F141 A159 F170	Q65-T168 VanDerWaalsContact CD-OG1 3.29Å; Q65-T168 WeakPolarHBondContact CG-OG1 3.22Å; Q65-T168 PolarHBondContact NE2-OG1 2.76Å; F73-T168 HydrophobicContact CD2-CG2 3.83Å; F73-T168 HydrophobicContact CE2-CG2 3.87Å; F141-T168 HydrophobicContact CE2-CG2 4.14Å; F141-T168 HydrophobicContact CZ-CG2 4.45Å; A159-T168 HydrophobicContact CB-CG2 3.85Å; A159-T168 PolarHBondContact N-O 2.89Å; A159-T168 PolarHBondContact O-N 2.58Å; T168-F170 HydrophobicContact CG2-CD2 4.25Å; T168-F170 HydrophobicContact CG2-CE2 3.65Å; T168-F170 HydrophobicContact CG2-CZ 4.35Å
169	I	97.3	Very high	94.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	119.5	175.9	-49.2	-173.2	0	0	0	108.4	Q65 V66 Y67 L157 I158 L167 F177 V185 L189	Q65-I169 CarbonylContact C-O 3.38Å; Q65-I169 WeakPolarHBondContact CA-O 3.45Å; V66-I169 HydrophobicContact CG2-CB 4.01Å; V66-I169 HydrophobicContact CG2-CG2 3.75Å; V66-I169 WeakPolarHBondContact CG2-O 3.28Å; V66-I169 PolarHBondContact N-O 2.93Å; Y67-I169 HydrophobicContact CD2-CD1 4.08Å; Y67-I169 HydrophobicContact CG-CD1 4.21Å; Y67-I169 PolarHBondContact O-N 3.12Å; L157-I169 WeakPolarHBondContact O-CA 3.19Å; I158-I169 HydrophobicContact CG1-CD1 4.47Å; I158-I169 HydrophobicContact CG1-CG1 4.4Å; I158-I169 HydrophobicContact CG1-CG2 4.18Å; I158-I169 HydrophobicContact CG2-CG1 4.23Å; L167-I169 HydrophobicContact CD1-CG1 4.36Å; L167-I169 HydrophobicContact CG-CG1 4.44Å; I169-F177 HydrophobicContact CG2-CE2 4.06Å; I169-F177 HydrophobicContact CG2-CZ 4.05Å; I169-V185 HydrophobicContact CD1-CG1 3.72Å; I169-L189 HydrophobicContact CD1-CD1 3.52Å; I169-L189 HydrophobicContact CD1-CD2 4.46Å; I169-L189 HydrophobicContact CD1-CG 4.5Å
170	F	98	Very high	94.7	Very high	7 Å²	7	35.6 Å²	35.6	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	140.5	174.1	-66.9	-71	0	0	0	110.1	W63 H64 Q65 A85 E102 Y156 L157 T168	W63-F170 HydrophobicContact CB-CB 4.14Å; W63-F170 HydrophobicContact CB-CD1 4.17Å; W63-F170 HydrophobicContact CB-CG 4.41Å; W63-F170 HydrophobicContact CD2-CB 4.05Å; W63-F170 HydrophobicContact CE3-CB 3.59Å; W63-F170 HydrophobicContact CG-CB 4.33Å; W63-F170 HydrophobicContact CZ3-CB 4.29Å; H64-F170 CarbonylContact O-C 3.51Å; H64-F170 WeakPolarHBondContact O-CA 3.27Å; Q65-F170 HydrophobicContact CB-CD1 3.89Å; Q65-F170 HydrophobicContact CB-CE1 3.72Å; Q65-F170 HydrophobicContact CG-CD1 4.35Å; Q65-F170 HydrophobicContact CG-CE1 4.08Å; A85-F170 HydrophobicContact CB-CD1 4.04Å; A85-F170 HydrophobicContact CB-CE1 3.63Å; A85-F170 HydrophobicContact CB-CZ 4.32Å; E102-F170 WeakPolarHBondContact OE2-CZ 3.37Å; Y156-F170 CarbonylContact C-O 3.5Å; Y156-F170 WeakPolarHBondContact CA-O 3.4Å; Y156-F170 WeakPolarHBondContact CB-O 3.49Å; L157-F170 HydrophobicContact CD2-CD2 4.26Å; L157-F170 PolarHBondContact N-O 3.04Å; L157-F170 PolarHBondContact O-N 2.79Å; T168-F170 HydrophobicContact CG2-CD2 4.25Å; T168-F170 HydrophobicContact CG2-CE2 3.65Å; T168-F170 HydrophobicContact CG2-CZ 4.35Å
171	A	98.5	Very high	94.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	151	173.2	0	0	0	0	0	111	H64 V66 E155 F177	H64-A171 PolarHBondContact N-O 3.46Å; H64-A171 PolarHBondContact O-N 3.19Å; V66-A171 HydrophobicContact CG1-CB 3.84Å; V66-A171 HydrophobicContact CG2-CB 4.16Å; E155-A171 WeakPolarHBondContact O-CA 3.47Å; A171-F177 HydrophobicContact CB-CB 3.63Å; A171-F177 HydrophobicContact CB-CD2 3.69Å; A171-F177 HydrophobicContact CB-CG 3.74Å
172	R	97.9	Very high	95.2	Very high	39 Å²	39	38 Å²	38	15%	0.147	19%	0.188	C	C	.	.	S	Bend	trans	-67.9	-49.6	174.3	-66.9	-59.3	-171.1	167.9	6	111.6	K58 L60 K62 W63 H64 Y154 E155	K58-R172 PolarHBondContact O-NH2 3.39Å; L60-R172 VanDerWaalsContact O-CZ 3.27Å; L60-R172 PolarHBondContact O-NH1 2.76Å; L60-R172 PolarHBondContact O-NH2 3.03Å; K62-R172 WeakPolarHBondContact O-CD 3.46Å; K62-R172 PolarHBondContact O-NH1 2.66Å; W63-R172 VanDerWaalsContact CE2-CZ 3.42Å; W63-R172 HydrophobicContact CE3-CG 4.4Å; W63-R172 HydrophobicContact CH2-CG 4.36Å; W63-R172 VanDerWaalsContact CZ2-CZ 3.46Å; W63-R172 HydrophobicContact CZ3-CG 4.1Å; H64-R172 PolarHBondContact CE1-O 3.38Å; H64-R172 VanDerWaalsContact CE1-O 3.23Å; H64-R172 PolarHBondContact ND1-O 2.92Å; Y154-R172 WeakPolarHBondContact O-CG 3.35Å; Y154-R172 PolarHBondContact O-NE 3.31Å; E155-R172 PolarHBondContact O-N 2.97Å
173	D	97.2	Very high	95.6	Very high	70 Å²	70	43.7 Å²	43.7	37%	0.374	21%	0.211	S	C	.	.			trans	-127.3	113.9	177.5	179.9	-32	0	0	0	108.7	V175 M176 F177	D173-V175 VanDerWaalsContact C-N 3.3Å; D173-V175 PolarHBondContact O-N 3.23Å; D173-V175 WeakPolarHBondContact OD1-CA 3.41Å; D173-V175 WeakPolarHBondContact OD1-CB 3.4Å; D173-V175 PolarHBondContact OD1-N 2.75Å; D173-M176 HydrophobicContact CB-CB 3.95Å; D173-M176 HydrophobicContact CB-CG 4.05Å; D173-M176 PolarHBondContact O-N 2.86Å; D173-M176 PolarHBondContact OD1-N 2.85Å; D173-M176 VanDerWaalsContact OD1-N 3.07Å; D173-F177 VanDerWaalsContact O-CB 3.31Å; D173-F177 WeakPolarHBondContact O-CB 3.41Å; D173-F177 PolarHBondContact O-N 2.87Å
174	P	97.9	Very high	96	Very high	10 Å²	10	45 Å²	45	7%	0.065	22%	0.215	C	C	.	.	H	α-helix	trans	-56.9	-40.1	178.4	-26.9	35.3	0	0	0	113.8	H64 V66 F177 Y178 Q208	H64-P174 HydrophobicContact CB-CG 3.53Å; V66-P174 HydrophobicContact CG1-CB 4.05Å; V66-P174 HydrophobicContact CG1-CG 4.37Å; P174-F177 PolarHBondContact O-N 2.87Å; P174-Y178 HydrophobicContact CB-CE2 4.49Å; P174-Y178 WeakPolarHBondContact O-CD2 3.42Å; P174-Y178 PolarHBondContact O-N 3.3Å; P174-Q208 HydrophobicContact CB-CB 3.57Å; P174-Q208 HydrophobicContact CB-CG 4.02Å; P174-Q208 HydrophobicContact CG-CB 3.83Å; P174-Q208 HydrophobicContact CG-CG 3.96Å
175	V	97.2	Very high	96.4	Very high	70 Å²	70	44.6 Å²	44.6	42%	0.424	21%	0.214	S	C	.	.	H	α-helix	trans	-67.1	-45.8	-177.5	179.6	0	0	0	0	109.7	D173 F177 K179 F210	D173-V175 VanDerWaalsContact C-N 3.3Å; D173-V175 PolarHBondContact O-N 3.23Å; D173-V175 WeakPolarHBondContact OD1-CA 3.41Å; D173-V175 WeakPolarHBondContact OD1-CB 3.4Å; D173-V175 PolarHBondContact OD1-N 2.75Å; V175-F177 VanDerWaalsContact C-N 3.32Å; V175-K179 WeakPolarHBondContact O-CB 3.31Å; V175-K179 PolarHBondContact O-N 2.86Å; V175-K179 VanDerWaalsContact O-N 3.14Å; V175-F210 HydrophobicContact CG2-CE1 3.93Å; V175-F210 HydrophobicContact CG2-CZ 4.3Å
176	M	97	Very high	96.8	Very high	69 Å²	69	45.3 Å²	45.3	34%	0.34	22%	0.216	S	C	.	.	H	α-helix	trans	-66.5	-36.7	176.7	-66.8	-56.8	-59.8	0	0	112	D173 K179 L180	D173-M176 HydrophobicContact CB-CB 3.95Å; D173-M176 HydrophobicContact CB-CG 4.05Å; D173-M176 PolarHBondContact O-N 2.86Å; D173-M176 PolarHBondContact OD1-N 2.85Å; D173-M176 VanDerWaalsContact OD1-N 3.07Å; M176-K179 PolarHBondContact O-N 2.8Å; M176-L180 HydrophobicContact CE-CD1 3.44Å; M176-L180 VanDerWaalsContact CE-CD1 3.44Å; M176-L180 HydrophobicContact CE-CG 4.05Å; M176-L180 WeakPolarHBondContact O-CB 3.04Å; M176-L180 PolarHBondContact O-N 2.91Å
177	F	98.4	Very high	97	Very high	3 Å²	3	49.7 Å²	49.7	1%	0.013	24%	0.237	C	C	.	.	H	α-helix	trans	-60	-52.6	175.7	175.8	-86.6	0	0	0	112.2	V66 Y67 Y156 I169 A171 D173 P174 V175 K179 L180 Y181 D182 V185	V66-F177 HydrophobicContact CB-CD1 4.15Å; V66-F177 HydrophobicContact CB-CE1 4.24Å; V66-F177 HydrophobicContact CG1-CD1 4.21Å; V66-F177 HydrophobicContact CG1-CG 4.49Å; V66-F177 HydrophobicContact CG2-CD1 3.83Å; V66-F177 HydrophobicContact CG2-CD2 4.4Å; V66-F177 HydrophobicContact CG2-CE1 3.65Å; V66-F177 HydrophobicContact CG2-CE2 4.2Å; V66-F177 HydrophobicContact CG2-CG 4.22Å; V66-F177 HydrophobicContact CG2-CZ 3.84Å; Y67-F177 HydrophobicContact CD2-CE1 4.02Å; Y67-F177 HydrophobicContact CD2-CZ 4.27Å; Y67-F177 AromaticContact CE2-CE1 3.78Å; Y67-F177 HydrophobicContact CE2-CE1 3.78Å; Y67-F177 HydrophobicContact CE2-CZ 4.33Å; Y156-F177 HydrophobicContact CD1-CE2 4.38Å; Y156-F177 HydrophobicContact CG-CD2 4.42Å; Y156-F177 HydrophobicContact CG-CE2 4.12Å; I169-F177 HydrophobicContact CG2-CE2 4.06Å; I169-F177 HydrophobicContact CG2-CZ 4.05Å; A171-F177 HydrophobicContact CB-CB 3.63Å; A171-F177 HydrophobicContact CB-CD2 3.69Å; A171-F177 HydrophobicContact CB-CG 3.74Å; D173-F177 VanDerWaalsContact O-CB 3.31Å; D173-F177 WeakPolarHBondContact O-CB 3.41Å; D173-F177 PolarHBondContact O-N 2.87Å; P174-F177 PolarHBondContact O-N 2.87Å; V175-F177 VanDerWaalsContact C-N 3.32Å; F177-K179 PolarHBondContact O-N 3Å; F177-L180 PolarHBondContact O-N 3.04Å; F177-Y181 HydrophobicContact CD2-CD2 4.43Å; F177-Y181 PolarHBondContact O-N 3.45Å; F177-D182 HydrophobicContact CE1-CB 4.23Å; F177-D182 PolarHBondContact O-N 3.32Å; F177-V185 HydrophobicContact CE2-CG2 4Å; F177-V185 HydrophobicContact CZ-CB 4.2Å; F177-V185 HydrophobicContact CZ-CG1 4.12Å; F177-V185 HydrophobicContact CZ-CG2 4.13Å
178	Y	97.8	Very high	97.1	Very high	77 Å²	77	53.5 Å²	53.5	30%	0.302	25%	0.253	S	S	.	.	H	α-helix	trans	-63.8	-29.9	179.1	-71.2	-61.1	0	0	0	112.6	V66 Y67 P174 D182 N205	V66-Y178 HydrophobicContact CG1-CE2 4.37Å; V66-Y178 PolarHBondContact O-OH 2.82Å; V66-Y178 VanDerWaalsContact O-OH 3.11Å; Y67-Y178 AromaticContact CE2-CE1 3.82Å; Y67-Y178 HydrophobicContact CE2-CE1 3.82Å; Y67-Y178 AromaticContact CZ-CE1 3.9Å; P174-Y178 HydrophobicContact CB-CE2 4.49Å; P174-Y178 WeakPolarHBondContact O-CD2 3.42Å; P174-Y178 PolarHBondContact O-N 3.3Å; Y178-D182 HydrophobicContact CD1-CB 4.2Å; Y178-N205 WeakPolarHBondContact CE1-OD1 3.29Å; Y178-N205 PolarHBondContact OH-OD1 2.77Å
179	K	97.7	Very high	97	Very high	160 Å²	160	53.6 Å²	53.6	70%	0.696	25%	0.254	S	S	*	.	H	α-helix	trans	-77.2	-38.5	178.8	-174	176.2	178.5	-179.3	0	113.6	V175 M176 F177	V175-K179 WeakPolarHBondContact O-CB 3.31Å; V175-K179 PolarHBondContact O-N 2.86Å; V175-K179 VanDerWaalsContact O-N 3.14Å; M176-K179 PolarHBondContact O-N 2.8Å; F177-K179 PolarHBondContact O-N 3Å
180	L	98.1	Very high	96.7	Very high	91 Å²	91	56.8 Å²	56.8	48%	0.476	28%	0.28	S	S	.	.	H	α-helix	trans	-112.6	-32.4	-167.9	-62.4	-175.3	0	0	0	114.6	M176 F177	M176-L180 HydrophobicContact CE-CD1 3.44Å; M176-L180 VanDerWaalsContact CE-CD1 3.44Å; M176-L180 HydrophobicContact CE-CG 4.05Å; M176-L180 WeakPolarHBondContact O-CB 3.04Å; M176-L180 PolarHBondContact O-N 2.91Å; F177-L180 PolarHBondContact O-N 3.04Å
181	Y	98.4	Very high	96.2	Very high	23 Å²	23	64.5 Å²	64.5	9%	0.09	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-20.2	-165.6	-56.8	-53.5	0	0	0	114.2	P148 I150 E155 Y156 F177 Q183 Q184 V185	P148-Y181 HydrophobicContact CG-CE1 3.72Å; P148-Y181 WeakPolarHBondContact CG-OH 3.4Å; I150-Y181 WeakPolarHBondContact CD1-OH 3.24Å; E155-Y181 HydrophobicContact CB-CD2 4.43Å; E155-Y181 HydrophobicContact CB-CE2 3.71Å; E155-Y181 HydrophobicContact CG-CE2 4.11Å; Y156-Y181 HydrophobicContact CD1-CD1 4.31Å; Y156-Y181 HydrophobicContact CD1-CD2 4.03Å; Y156-Y181 AromaticContact CD1-CG 3.81Å; Y156-Y181 HydrophobicContact CD1-CG 3.81Å; Y156-Y181 HydrophobicContact CE1-CD1 4.1Å; Y156-Y181 AromaticContact CE1-CG 3.99Å; Y156-Y181 HydrophobicContact CE1-CG 3.99Å; F177-Y181 HydrophobicContact CD2-CD2 4.43Å; F177-Y181 PolarHBondContact O-N 3.45Å; Y181-Q183 PolarHBondContact O-N 2.04Å; Y181-Q184 PolarHBondContact O-N 3.26Å; Y181-V185 WeakPolarHBondContact O-CB 3.45Å; Y181-V185 VanDerWaalsContact O-CG2 3.29Å; Y181-V185 WeakPolarHBondContact O-CG2 2.79Å; Y181-V185 PolarHBondContact O-N 2.91Å
182	D	97.9	Very high	95.8	Very high	39 Å²	39	65 Å²	65	21%	0.209	32%	0.318	C	S	.	.	H	α-helix	trans	-53.9	-54.7	-174.3	178.2	49.5	0	0	0	112.8	Y67 F177 Y178 Q184 V185 Q186	Y67-D182 VanDerWaalsContact CE2-OD1 3.3Å; Y67-D182 WeakPolarHBondContact CE2-OD1 3.29Å; Y67-D182 PolarHBondContact OH-OD1 3.5Å; F177-D182 HydrophobicContact CE1-CB 4.23Å; F177-D182 PolarHBondContact O-N 3.32Å; Y178-D182 HydrophobicContact CD1-CB 4.2Å; D182-Q184 PolarHBondContact O-N 3.4Å; D182-V185 PolarHBondContact O-N 3.43Å; D182-V185 VanDerWaalsContact O-N 3.08Å; D182-Q186 VanDerWaalsContact O-CG 3.28Å; D182-Q186 WeakPolarHBondContact O-CG 3.46Å; D182-Q186 PolarHBondContact O-N 2.69Å; D182-Q186 PolarHBondContact OD1-NE2 3.07Å
183	Q	97.4	Very high	95.3	Very high	142 Å²	142	63.5 Å²	63.5	66%	0.664	32%	0.315	S	S	*	.	H	α-helix	trans	-56	-48.8	-179.5	-175.7	-175.2	-15.4	0	0	112.4	Y181 V185 Q186 E187	Y181-Q183 PolarHBondContact O-N 2.04Å; Q183-V185 VanDerWaalsContact C-N 3.3Å; Q183-V185 PolarHBondContact O-N 3.07Å; Q183-Q186 PolarHBondContact O-N 2.88Å; Q183-E187 PolarHBondContact NE2-OE1 3.42Å; Q183-E187 WeakPolarHBondContact O-CG 3.36Å; Q183-E187 PolarHBondContact O-N 3.29Å
184	Q	96.9	Very high	94.9	Very high	93 Å²	93	60.5 Å²	60.5	44%	0.435	30%	0.299	S	S	.	.	H	α-helix	trans	-58.2	-43.8	177.6	153.3	177.7	-20.8	0	0	111.6	Y156 Y181 D182 E187 K188	Y156-Q184 PolarHBondContact OH-NE2 2.85Å; Y181-Q184 PolarHBondContact O-N 3.26Å; D182-Q184 PolarHBondContact O-N 3.4Å; Q184-E187 PolarHBondContact O-N 2.84Å; Q184-K188 WeakPolarHBondContact O-CB 3.47Å; Q184-K188 PolarHBondContact O-N 3.09Å
185	V	97.5	Very high	94.2	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-67	-45.4	-178.7	165.6	0	0	0	0	110.2	Y156 I158 I169 F177 Y181 D182 Q183 E187 K188 L189	Y156-V185 HydrophobicContact CD1-CG2 4.3Å; Y156-V185 HydrophobicContact CD2-CG2 4.2Å; Y156-V185 HydrophobicContact CE1-CG2 3.94Å; Y156-V185 HydrophobicContact CE2-CG2 3.87Å; Y156-V185 HydrophobicContact CG-CG2 4.43Å; I158-V185 HydrophobicContact CD1-CG1 3.74Å; I158-V185 HydrophobicContact CD1-CG2 4.3Å; I169-V185 HydrophobicContact CD1-CG1 3.72Å; F177-V185 HydrophobicContact CE2-CG2 4Å; F177-V185 HydrophobicContact CZ-CB 4.2Å; F177-V185 HydrophobicContact CZ-CG1 4.12Å; F177-V185 HydrophobicContact CZ-CG2 4.13Å; Y181-V185 WeakPolarHBondContact O-CB 3.45Å; Y181-V185 VanDerWaalsContact O-CG2 3.29Å; Y181-V185 WeakPolarHBondContact O-CG2 2.79Å; Y181-V185 PolarHBondContact O-N 2.91Å; D182-V185 PolarHBondContact O-N 3.43Å; D182-V185 VanDerWaalsContact O-N 3.08Å; Q183-V185 VanDerWaalsContact C-N 3.3Å; Q183-V185 PolarHBondContact O-N 3.07Å; V185-E187 VanDerWaalsContact C-N 3.34Å; V185-E187 PolarHBondContact O-N 3.47Å; V185-K188 PolarHBondContact O-N 2.79Å; V185-K188 VanDerWaalsContact O-N 3.14Å; V185-L189 HydrophobicContact CG1-CD1 3.73Å; V185-L189 HydrophobicContact CG1-CG 4.25Å; V185-L189 WeakPolarHBondContact O-CB 3.16Å; V185-L189 WeakPolarHBondContact O-CG 3.12Å; V185-L189 PolarHBondContact O-N 3.09Å
186	Q	95.1	Very high	93.1	Very high	58 Å²	58	60.2 Å²	60.2	27%	0.271	31%	0.312	S	S	.	.	H	α-helix	trans	-59.2	-43.2	175.8	-64	-63	-12.3	0	0	112	Y67 D182 Q183 K188 L189 A190	Y67-Q186 PolarHBondContact OH-NE2 2.71Å; Y67-Q186 VanDerWaalsContact OH-NE2 3.1Å; D182-Q186 VanDerWaalsContact O-CG 3.28Å; D182-Q186 WeakPolarHBondContact O-CG 3.46Å; D182-Q186 PolarHBondContact O-N 2.69Å; D182-Q186 PolarHBondContact OD1-NE2 3.07Å; Q183-Q186 PolarHBondContact O-N 2.88Å; Q186-K188 VanDerWaalsContact C-N 3.33Å; Q186-K188 PolarHBondContact O-N 2.91Å; Q186-L189 PolarHBondContact O-N 3.12Å; Q186-A190 WeakPolarHBondContact O-CB 3.49Å; Q186-A190 PolarHBondContact O-N 2.87Å
187	E	94.2	Very high	91.8	Very high	93 Å²	93	63.1 Å²	63.1	44%	0.435	32%	0.32	S	S	.	.	H	α-helix	trans	-63	-39.6	175.8	-73.3	177.5	-161.6	0	0	112.1	Q183 Q184 V185 K191	Q183-E187 PolarHBondContact NE2-OE1 3.42Å; Q183-E187 WeakPolarHBondContact O-CG 3.36Å; Q183-E187 PolarHBondContact O-N 3.29Å; Q184-E187 PolarHBondContact O-N 2.84Å; V185-E187 VanDerWaalsContact C-N 3.34Å; V185-E187 PolarHBondContact O-N 3.47Å; E187-K191 WeakPolarHBondContact O-CG 3.47Å; E187-K191 PolarHBondContact O-N 2.9Å
188	K	94	Very high	90.7	Very high	80 Å²	80	63.1 Å²	63.1	35%	0.348	32%	0.32	S	S	.	.	H	α-helix	trans	-67.8	-41.7	177.7	-156.1	176.6	-142.1	172.9	0	111.8	F144 D145 Q184 V185 Q186 K191 G192	F144-K188 HydrophobicContact CE1-CG 4.17Å; D145-K188 HydrophobicContact CB-CD 4.04Å; D145-K188 IonicContact OD1-NZ 2.65Å; D145-K188 PolarHBondContact OD1-NZ 2.85Å; D145-K188 WeakPolarHBondContact OD2-CD 3.29Å; D145-K188 WeakPolarHBondContact OD2-CE 3.33Å; D145-K188 IonicContact OD2-NZ 2.7Å; D145-K188 PolarHBondContact OD2-NZ 2.86Å; Q184-K188 WeakPolarHBondContact O-CB 3.47Å; Q184-K188 PolarHBondContact O-N 3.09Å; V185-K188 PolarHBondContact O-N 2.79Å; V185-K188 VanDerWaalsContact O-N 3.14Å; Q186-K188 VanDerWaalsContact C-N 3.33Å; Q186-K188 PolarHBondContact O-N 2.91Å; K188-K191 PolarHBondContact O-N 2.9Å; K188-G192 PolarHBondContact O-N 3.29Å
189	L	93.3	Very high	89.8	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-62.8	-46.1	175.4	-71.2	170.1	0	0	0	111.2	I158 L167 I169 V185 Q186 K191 G192 G193 F194 P203	I158-L189 HydrophobicContact CD1-CD2 4.42Å; I158-L189 HydrophobicContact CG2-CD2 4Å; L167-L189 HydrophobicContact CD1-CD2 3.85Å; L167-L189 HydrophobicContact CD2-CD1 4.41Å; L167-L189 HydrophobicContact CD2-CD2 4.09Å; I169-L189 HydrophobicContact CD1-CD1 3.52Å; I169-L189 HydrophobicContact CD1-CD2 4.46Å; I169-L189 HydrophobicContact CD1-CG 4.5Å; V185-L189 HydrophobicContact CG1-CD1 3.73Å; V185-L189 HydrophobicContact CG1-CG 4.25Å; V185-L189 WeakPolarHBondContact O-CB 3.16Å; V185-L189 WeakPolarHBondContact O-CG 3.12Å; V185-L189 PolarHBondContact O-N 3.09Å; Q186-L189 PolarHBondContact O-N 3.12Å; L189-K191 PolarHBondContact O-N 3.06Å; L189-G192 CarbonylContact O-C 3.59Å; L189-G192 WeakPolarHBondContact O-CA 3.26Å; L189-G192 PolarHBondContact O-N 3.23Å; L189-G193 PolarHBondContact O-N 3.33Å; L189-G193 VanDerWaalsContact O-N 3.12Å; L189-F194 HydrophobicContact CB-CB 3.98Å; L189-F194 HydrophobicContact CB-CD2 4.41Å; L189-F194 HydrophobicContact CD2-CB 4.27Å; L189-F194 HydrophobicContact CD2-CD2 3.75Å; L189-F194 HydrophobicContact CD2-CE2 4.26Å; L189-F194 HydrophobicContact CD2-CG 4.01Å; L189-F194 WeakPolarHBondContact O-CB 3.5Å; L189-F194 PolarHBondContact O-N 2.99Å; L189-P203 HydrophobicContact CD1-CB 4.3Å; L189-P203 HydrophobicContact CD1-CG 3.67Å
190	A	90	Very high	88.8	Confident	67 Å²	67	60.6 Å²	60.6	55%	0.554	31%	0.31	S	S	*	.	H	α-helix	trans	-59.5	-45.6	176.7	0	0	0	0	0	111.8	Q186 G192 G193	Q186-A190 WeakPolarHBondContact O-CB 3.49Å; Q186-A190 PolarHBondContact O-N 2.87Å; A190-G192 VanDerWaalsContact C-N 3.25Å; A190-G192 PolarHBondContact O-N 2.87Å; A190-G193 PolarHBondContact O-N 3.04Å; A190-G193 VanDerWaalsContact O-N 3.08Å
191	K	88.7	Confident	88.2	Confident	170 Å²	170	56.4 Å²	56.4	74%	0.739	29%	0.289	S	S	*	.	H	α-helix	trans	-62.9	-32.5	173.1	-72.7	171.2	-177	168.8	0	112.5	E187 K188 L189 G193	E187-K191 WeakPolarHBondContact O-CG 3.47Å; E187-K191 PolarHBondContact O-N 2.9Å; K188-K191 PolarHBondContact O-N 2.9Å; L189-K191 PolarHBondContact O-N 3.06Å; K191-G193 PolarHBondContact O-N 3.43Å
192	G	89	Confident	87.7	Confident	9 Å²	9	62.3 Å²	62.3	9%	0.093	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-2.2	173.9	0	0	0	0	0	114.7	R164 K188 L189 A190	R164-G192 VanDerWaalsContact CD-O 3.27Å; R164-G192 WeakPolarHBondContact CD-O 3.34Å; R164-G192 PolarHBondContact NH1-O 2.89Å; K188-G192 PolarHBondContact O-N 3.29Å; L189-G192 CarbonylContact O-C 3.59Å; L189-G192 WeakPolarHBondContact O-CA 3.26Å; L189-G192 PolarHBondContact O-N 3.23Å; A190-G192 VanDerWaalsContact C-N 3.25Å; A190-G192 PolarHBondContact O-N 2.87Å
193	G	87.3	Confident	87.5	Confident	8 Å²	8	61.2 Å²	61.2	8%	0.082	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	16.8	-178.4	0	0	0	0	0	114.6	L189 A190 K191 N201	L189-G193 PolarHBondContact O-N 3.33Å; L189-G193 VanDerWaalsContact O-N 3.12Å; A190-G193 PolarHBondContact O-N 3.04Å; A190-G193 VanDerWaalsContact O-N 3.08Å; K191-G193 PolarHBondContact O-N 3.43Å; G193-N201 PolarHBondContact O-ND2 3.28Å
194	F	89.1	Confident	87.2	Confident	7 Å²	7	58 Å²	58	3%	0.031	29%	0.291	C	S	.	.			trans	-85.5	140.6	169.5	-63.8	-86.6	0	0	0	110.6	F144 T160 R164 L167 L189 N201	F144-F194 HydrophobicContact CD2-CE2 4.02Å; F144-F194 HydrophobicContact CE1-CE2 4.41Å; F144-F194 AromaticContact CE2-CE2 3.87Å; F144-F194 HydrophobicContact CE2-CE2 3.87Å; F144-F194 HydrophobicContact CG-CE2 4.39Å; F144-F194 HydrophobicContact CZ-CE2 4.08Å; T160-F194 HydrophobicContact CG2-CZ 4.05Å; T160-F194 WeakPolarHBondContact OG1-CZ 3.26Å; R164-F194 HydrophobicContact CB-CD1 4.35Å; R164-F194 HydrophobicContact CB-CE1 3.67Å; R164-F194 HydrophobicContact CB-CZ 3.75Å; R164-F194 HydrophobicContact CG-CE1 4.34Å; R164-F194 HydrophobicContact CG-CE2 4.41Å; R164-F194 HydrophobicContact CG-CZ 3.9Å; L167-F194 HydrophobicContact CB-CD1 4.3Å; L167-F194 HydrophobicContact CB-CE1 4.19Å; L167-F194 HydrophobicContact CD1-CD1 4.19Å; L167-F194 HydrophobicContact CD1-CE1 3.95Å; L167-F194 HydrophobicContact CD1-CZ 4.3Å; L167-F194 HydrophobicContact CD2-CD1 4.04Å; L167-F194 HydrophobicContact CD2-CG 4.47Å; L167-F194 HydrophobicContact CG-CD1 4.41Å; L167-F194 HydrophobicContact CG-CE1 4.46Å; L189-F194 HydrophobicContact CB-CB 3.98Å; L189-F194 HydrophobicContact CB-CD2 4.41Å; L189-F194 HydrophobicContact CD2-CB 4.27Å; L189-F194 HydrophobicContact CD2-CD2 3.75Å; L189-F194 HydrophobicContact CD2-CE2 4.26Å; L189-F194 HydrophobicContact CD2-CG 4.01Å; L189-F194 WeakPolarHBondContact O-CB 3.5Å; L189-F194 PolarHBondContact O-N 2.99Å; F194-N201 HydrophobicContact CD1-CB 4.39Å
195	G	83.1	Confident	87	Confident	11 Å²	11	58.5 Å²	58.5	11%	0.113	30%	0.296	C	S	.	.	S	Bend	trans	76.7	-140.5	179.9	0	0	0	0	0	114.3	S198 N201	G195-S198 PolarHBondContact O-N 2.78Å; G195-N201 PolarHBondContact N-O 2.84Å; G195-N201 PolarHBondContact N-OD1 2.81Å
196	G	74.9	Confident	86.9	Confident	64 Å²	64	58.6 Å²	58.6	66%	0.66	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	-131.6	-168.7	0	0	0	0	0	112.1	S198	G196-S198 VanDerWaalsContact C-N 3.33Å
197	Y	69.7	Low	86.9	Confident	130 Å²	130	59.7 Å²	59.7	51%	0.51	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-9.6	177.7	-63	-83.3	0	0	0	113.3	G37 F199	G37-Y197 VanDerWaalsContact CA-CD2 3.47Å; Y197-F199 PolarHBondContact O-N 3.26Å
198	S	75.4	Confident	87	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.014	28%	0.283	C	S	.	.			trans	-81.2	98.7	178	-60.2	0	0	0	0	109.9	G41 G195 G196 W200 N201	G41-S198 WeakPolarHBondContact CA-OG 3.46Å; G195-S198 PolarHBondContact O-N 2.78Å; G196-S198 VanDerWaalsContact C-N 3.33Å; S198-W200 PolarHBondContact O-N 3.47Å; S198-N201 WeakPolarHBondContact CB-OD1 3.49Å; S198-N201 PolarHBondContact O-OD1 3.24Å
199	F	77.7	Confident	87	Confident	151 Å²	151	53.4 Å²	53.4	66%	0.662	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-65.3	-27.9	-178	72.5	-91.7	0	0	0	112.9	Y197	Y197-F199 PolarHBondContact O-N 3.26Å
200	W	77.6	Confident	87	Confident	33 Å²	33	62.7 Å²	62.7	13%	0.125	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-73.2	-29.9	-172.6	54	83.5	0	0	0	114.6	L38 F42 M45 V71 S198	L38-W200 HydrophobicContact CD2-CH2 3.5Å; L38-W200 HydrophobicContact CD2-CZ3 3.71Å; F42-W200 HydrophobicContact CE1-CH2 4.38Å; F42-W200 HydrophobicContact CE1-CZ2 4.27Å; F42-W200 HydrophobicContact CE2-CH2 4.15Å; F42-W200 AromaticContact CZ-CH2 3.89Å; F42-W200 HydrophobicContact CZ-CH2 3.89Å; F42-W200 HydrophobicContact CZ-CZ2 4.22Å; M45-W200 HydrophobicContact CE-CZ2 4.34Å; V71-W200 HydrophobicContact CG2-CB 4.03Å; V71-W200 PolarHBondContact N-O 3.41Å; S198-W200 PolarHBondContact O-N 3.47Å
201	N	85	Confident	87.1	Confident	4 Å²	4	63 Å²	63	2%	0.021	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-113.8	15	-179.2	75	-12.4	0	0	0	113.3	R164 G193 F194 G195 S198	R164-N201 WeakPolarHBondContact O-CB 3.49Å; R164-N201 PolarHBondContact O-ND2 3.2Å; G193-N201 PolarHBondContact O-ND2 3.28Å; F194-N201 HydrophobicContact CD1-CB 4.39Å; G195-N201 PolarHBondContact N-O 2.84Å; G195-N201 PolarHBondContact N-OD1 2.81Å; S198-N201 WeakPolarHBondContact CB-OD1 3.49Å; S198-N201 PolarHBondContact O-OD1 3.24Å
202	R	88.5	Confident	87.5	Confident	147 Å²	147	55.7 Å²	55.7	56%	0.555	28%	0.279	S	S	*	.			trans	-71	134.2	175.5	-178.5	176	176.4	142.6	-1.8	110.1	A69 E204	A69-R202 WeakPolarHBondContact CA-O 3.5Å; R202-E204 PolarHBondContact O-N 2.99Å
203	P	92.4	Very high	87.7	Confident	16 Å²	16	59.9 Å²	59.9	10%	0.104	30%	0.302	C	S	.	.			trans	-64.6	120.2	171.2	-16.4	29.2	0	0	0	110.9	Y67 L167 L189	Y67-P203 HydrophobicContact CD1-CB 3.73Å; Y67-P203 HydrophobicContact CE1-CB 4.33Å; Y67-P203 HydrophobicContact CG-CB 4.18Å; L167-P203 HydrophobicContact CD2-CB 4.04Å; L167-P203 HydrophobicContact CD2-CG 3.73Å; L189-P203 HydrophobicContact CD1-CB 4.3Å; L189-P203 HydrophobicContact CD1-CG 3.67Å
204	E	91.6	Very high	88.1	Confident	75 Å²	75	61.9 Å²	61.9	35%	0.35	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.9	174.2	-64.6	-179	170.6	0	0	109.5	Y67 K68 R202 V206	Y67-E204 CarbonylContact C-O 3.55Å; Y67-E204 VanDerWaalsContact CA-O 3.29Å; Y67-E204 WeakPolarHBondContact CA-O 3.43Å; Y67-E204 WeakPolarHBondContact CD1-O 3.39Å; K68-E204 PolarHBondContact N-O 2.85Å; K68-E204 IonicContact NZ-OE2 2.74Å; K68-E204 WeakPolarHBondContact O-CA 3.38Å; K68-E204 WeakPolarHBondContact O-CB 3.22Å; K68-E204 PolarHBondContact O-N 3.07Å; R202-E204 PolarHBondContact O-N 2.99Å; E204-V206 PolarHBondContact O-N 2.61Å
205	N	93.4	Very high	88.3	Confident	103 Å²	103	61.8 Å²	61.8	55%	0.551	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	132.9	179.3	-86.4	-46.8	0	0	0	111.1	Y67 Y178	Y67-N205 HydrophobicContact CE1-CB 4.3Å; Y67-N205 VanDerWaalsContact CE1-CG 3.43Å; Y67-N205 WeakPolarHBondContact CE1-OD1 3.38Å; Y67-N205 PolarHBondContact OH-OD1 2.84Å; Y67-N205 VanDerWaalsContact OH-OD1 3.06Å; Y178-N205 WeakPolarHBondContact CE1-OD1 3.29Å; Y178-N205 PolarHBondContact OH-OD1 2.77Å
206	V	94.6	Very high	88.9	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.006	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-94.5	131	164.8	177.2	0	0	0	0	107.5	Q65 V66 K68 M80 H83 E204 Q208	Q65-V206 HydrophobicContact CG-CG2 4.34Å; Q65-V206 VanDerWaalsContact O-CB 3.32Å; Q65-V206 WeakPolarHBondContact O-CB 3.28Å; Q65-V206 WeakPolarHBondContact O-CG1 3.25Å; V66-V206 PolarHBondContact O-N 2.84Å; K68-V206 HydrophobicContact CB-CG2 4.15Å; K68-V206 HydrophobicContact CD-CG2 3.88Å; K68-V206 HydrophobicContact CG-CG2 3.89Å; M80-V206 HydrophobicContact CB-CG1 4.34Å; H83-V206 HydrophobicContact CB-CG1 3.84Å; E204-V206 PolarHBondContact O-N 2.61Å; V206-Q208 PolarHBondContact O-N 2.74Å
207	Y	95.3	Very high	89.8	Confident	82 Å²	82	67 Å²	67	32%	0.322	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-65.8	124.2	-175.3	-175.9	-91.7	0	0	0	111.8	Y81 C82 R109 D211	Y81-Y207 VanDerWaalsContact CD1-CB 3.43Å; Y81-Y207 AromaticContact CD1-CD1 3.85Å; Y81-Y207 HydrophobicContact CD1-CD1 3.85Å; Y81-Y207 AromaticContact CD1-CG 3.7Å; Y81-Y207 HydrophobicContact CD1-CG 3.7Å; Y81-Y207 HydrophobicContact CE1-CG 4.15Å; C82-Y207 WeakPolarHBondContact CA-O 3.42Å; C82-Y207 PolarHBondContact N-O 2.94Å; R109-Y207 VanDerWaalsContact CD-CZ 3.49Å; R109-Y207 HydrophobicContact CG-CD1 3.87Å; R109-Y207 HydrophobicContact CG-CE1 3.63Å; Y207-D211 WeakPolarHBondContact CE1-OD1 3.09Å; Y207-D211 PolarHBondContact OH-OD1 3.3Å; Y207-D211 PolarHBondContact OH-OD2 3.4Å
208	Q	96.3	Very high	90.9	Very high	21 Å²	21	67.5 Å²	67.5	10%	0.098	32%	0.32	C	S	.	.			trans	-133.7	54.4	179.7	-62.9	-67.9	-2.4	0	0	111	Q65 V66 H83 P174 V206 Y214	Q65-Q208 PolarHBondContact O-NE2 2.86Å; V66-Q208 HydrophobicContact CG1-CG 4.42Å; H83-Q208 PolarHBondContact O-NE2 3.26Å; P174-Q208 HydrophobicContact CB-CB 3.57Å; P174-Q208 HydrophobicContact CB-CG 4.02Å; P174-Q208 HydrophobicContact CG-CB 3.83Å; P174-Q208 HydrophobicContact CG-CG 3.96Å; V206-Q208 PolarHBondContact O-N 2.74Å; Q208-Y214 VanDerWaalsContact OE1-CZ 3.28Å; Q208-Y214 PolarHBondContact OE1-OH 3.49Å
209	G	93.5	Very high	91.7	Very high	19 Å²	19	69.6 Å²	69.6	20%	0.196	33%	0.33	C	S	.	.			trans	-73	166.3	-179.5	0	0	0	0	0	114.2	D211 C212	G209-D211 PolarHBondContact O-N 3.49Å; G209-C212 VanDerWaalsContact O-CB 3.25Å; G209-C212 WeakPolarHBondContact O-CB 3.33Å; G209-C212 PolarHBondContact O-N 2.83Å
210	F	93.2	Very high	92.4	Very high	197 Å²	197	62.4 Å²	62.4	86%	0.864	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-18	177	-61.2	-74.6	0	0	0	113.9	V175 C212	V175-F210 HydrophobicContact CG2-CE1 3.93Å; V175-F210 HydrophobicContact CG2-CZ 4.3Å; F210-C212 VanDerWaalsContact C-N 3.34Å
211	D	93.5	Very high	93.1	Very high	74 Å²	74	67.3 Å²	67.3	40%	0.396	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	0	176	58.8	-17.6	0	0	0	113.2	R109 Y207 G209 V213	R109-D211 WeakPolarHBondContact CD-OD2 3.29Å; R109-D211 IonicContact CZ-OD2 3.91Å; R109-D211 IonicContact NE-OD2 3.2Å; R109-D211 PolarHBondContact NE-OD2 3.4Å; R109-D211 VanDerWaalsContact NE-OD2 3.07Å; R109-D211 IonicContact NH1-OD2 3.64Å; Y207-D211 WeakPolarHBondContact CE1-OD1 3.09Å; Y207-D211 PolarHBondContact OH-OD1 3.3Å; Y207-D211 PolarHBondContact OH-OD2 3.4Å; G209-D211 PolarHBondContact O-N 3.49Å; D211-V213 PolarHBondContact O-N 3.43Å
212	C	95.5	Very high	93.4	Very high	15 Å²	15	67.9 Å²	67.9	10%	0.101	32%	0.324	C	S	.	.			trans	-67.7	121.6	176.8	-83.2	0	0	0	0	112.5	C82 G209 F210 Y214	C82-C212 WeakPolarHBondContact CA-SG 3.4Å; C82-C212 HydrophobicContact CB-CB 3.58Å; C82-C212 WeakPolarHBondContact CB-SG 3.38Å; C82-C212 WeakPolarHBondContact SG-CA 3.29Å; C82-C212 WeakPolarHBondContact SG-CB 3.27Å; C82-C212 CovalentContact SG-SG 2.04Å; C82-C212 PolarHBondContact SG-SG 2.62Å; G209-C212 VanDerWaalsContact O-CB 3.25Å; G209-C212 WeakPolarHBondContact O-CB 3.33Å; G209-C212 PolarHBondContact O-N 2.83Å; F210-C212 VanDerWaalsContact C-N 3.34Å; C212-Y214 HydrophobicContact CB-CE1 3.97Å; C212-Y214 HydrophobicContact CB-CE2 3.87Å; C212-Y214 WeakPolarHBondContact CB-OH 3.48Å
213	V	93.9	Very high	93.4	Very high	97 Å²	97	63.8 Å²	63.8	59%	0.588	31%	0.308	S	S	*	.			trans	-101.7	109.2	170.2	-177.3	0	0	0	0	109.2	D211	D211-V213 PolarHBondContact O-N 3.43Å
214	Y	95.1	Very high	93.1	Very high	51 Å²	51	66 Å²	66	20%	0.2	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-90.4	131.7	-178.9	-54.8	-74.8	0	0	0	111.5	H64 C82 V84 Q208 C212	H64-Y214 AromaticContact CD2-CE1 3.62Å; H64-Y214 AromaticContact CD2-CZ 3.61Å; H64-Y214 AromaticContact NE2-CE2 3.97Å; H64-Y214 AromaticContact NE2-CZ 3.98Å; C82-Y214 HydrophobicContact CB-CD1 4.23Å; C82-Y214 HydrophobicContact CB-CE1 3.92Å; C82-Y214 WeakPolarHBondContact O-CD1 3.2Å; V84-Y214 HydrophobicContact CB-CD1 3.86Å; V84-Y214 HydrophobicContact CB-CG 4.41Å; V84-Y214 HydrophobicContact CG1-CD1 4.43Å; Q208-Y214 VanDerWaalsContact OE1-CZ 3.28Å; Q208-Y214 PolarHBondContact OE1-OH 3.49Å; C212-Y214 HydrophobicContact CB-CE1 3.97Å; C212-Y214 HydrophobicContact CB-CE2 3.87Å; C212-Y214 WeakPolarHBondContact CB-OH 3.48Å
215	P	94.9	Very high	92.8	Very high	4 Å²	4	65.4 Å²	65.4	3%	0.026	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-61.5	140.5	168.1	-23.4	34.8	0	0	0	111.8	Y86 A103 V113 E219 I220	Y86-P215 WeakPolarHBondContact CE2-O 3.32Å; Y86-P215 PolarHBondContact OH-O 3.02Å; A103-P215 HydrophobicContact CB-CB 4.36Å; A103-P215 HydrophobicContact CB-CG 3.98Å; V113-P215 HydrophobicContact CG1-CG 3.85Å; V113-P215 HydrophobicContact CG2-CG 4.47Å; P215-E219 WeakPolarHBondContact CA-OE2 3.08Å; P215-E219 HydrophobicContact CB-CB 4.34Å; P215-E219 HydrophobicContact CB-CG 4.37Å; P215-I220 HydrophobicContact CB-CD1 4.5Å; P215-I220 HydrophobicContact CB-CG1 3.9Å
216	D	94.8	Very high	92.2	Very high	109 Å²	109	63.5 Å²	63.5	58%	0.583	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-72.5	156.5	169.6	-72.9	-32	0	0	0	110.6	K218 E219 I220	D216-K218 PolarHBondContact O-N 2.92Å; D216-E219 WeakPolarHBondContact O-CA 3.47Å; D216-E219 WeakPolarHBondContact O-CB 3.44Å; D216-E219 PolarHBondContact O-N 2.97Å; D216-I220 WeakPolarHBondContact O-CG1 3.46Å; D216-I220 PolarHBondContact O-N 2.72Å
217	E	93.9	Very high	90.4	Very high	76 Å²	76	69.4 Å²	69.4	36%	0.355	35%	0.351	S	S	.	.	H	α-helix	trans	-53.8	-41.4	179.5	-166.9	-160.4	118.4	0	0	113	Y86 Q88 V101 E219 I220 F221	Y86-E217 HydrophobicContact CD1-CB 4.05Å; Y86-E217 HydrophobicContact CD1-CG 4.41Å; Y86-E217 HydrophobicContact CD2-CB 4.11Å; Y86-E217 HydrophobicContact CD2-CG 4.3Å; Y86-E217 HydrophobicContact CE1-CB 4.24Å; Y86-E217 HydrophobicContact CE2-CB 4.28Å; Y86-E217 HydrophobicContact CG-CB 3.98Å; Y86-E217 HydrophobicContact CG-CG 4.01Å; Q88-E217 PolarHBondContact NE2-OE1 2.97Å; Q88-E217 PolarHBondContact NE2-OE2 3.46Å; V101-E217 HydrophobicContact CG2-CG 4.1Å; E217-E219 VanDerWaalsContact C-N 3.33Å; E217-E219 PolarHBondContact O-N 3.38Å; E217-I220 PolarHBondContact O-N 2.8Å; E217-F221 PolarHBondContact O-N 3.28Å
218	K	93.5	Very high	88.5	Confident	140 Å²	140	68.2 Å²	68.2	61%	0.609	35%	0.349	S	S	*	.	H	α-helix	trans	-63.6	-38.6	175.7	-64.9	-178.7	-178.2	179.7	0	112	D216 F221 I222	D216-K218 PolarHBondContact O-N 2.92Å; K218-F221 PolarHBondContact O-N 2.89Å; K218-I222 WeakPolarHBondContact O-CD1 3.39Å; K218-I222 VanDerWaalsContact O-CG1 3.25Å; K218-I222 WeakPolarHBondContact O-CG1 3.14Å; K218-I222 PolarHBondContact O-N 3.19Å
219	E	92.5	Very high	86.2	Confident	46 Å²	46	72.3 Å²	72.3	22%	0.215	38%	0.376	C	S	.	.	H	α-helix	trans	-65.2	-42.9	176.3	-172.6	-172	158.6	0	0	110.7	P215 D216 E217 F221 I222 R223 L241	P215-E219 WeakPolarHBondContact CA-OE2 3.08Å; P215-E219 HydrophobicContact CB-CB 4.34Å; P215-E219 HydrophobicContact CB-CG 4.37Å; D216-E219 WeakPolarHBondContact O-CA 3.47Å; D216-E219 WeakPolarHBondContact O-CB 3.44Å; D216-E219 PolarHBondContact O-N 2.97Å; E217-E219 VanDerWaalsContact C-N 3.33Å; E217-E219 PolarHBondContact O-N 3.38Å; E219-F221 VanDerWaalsContact C-N 3.32Å; E219-F221 PolarHBondContact O-N 3.27Å; E219-I222 PolarHBondContact O-N 3.44Å; E219-R223 HydrophobicContact CG-CG 4.44Å; E219-R223 WeakPolarHBondContact O-CB 3.5Å; E219-R223 WeakPolarHBondContact O-CG 3.32Å; E219-R223 PolarHBondContact O-N 3.05Å; E219-R223 IonicContact OE1-CZ 2.66Å; E219-R223 IonicContact OE1-NE 3.07Å; E219-R223 PolarHBondContact OE1-NE 2.63Å; E219-R223 IonicContact OE1-NH2 3.03Å; E219-R223 PolarHBondContact OE1-NH2 2.95Å; E219-L241 HydrophobicContact CG-CD1 4.35Å
220	I	92.6	Very high	84.2	Confident	1 Å²	1	77.9 Å²	77.9	1%	0.005	40%	0.401	C	S	.	.	H	α-helix	trans	-58.9	-46.1	175.3	-61.1	177.9	0	0	0	110.2	V84 Y86 V101 A103 T115 P215 D216 E217 R223 R224	V84-I220 HydrophobicContact CG1-CD1 4.24Å; Y86-I220 HydrophobicContact CD2-CD1 3.7Å; Y86-I220 HydrophobicContact CE2-CD1 3.61Å; V101-I220 HydrophobicContact CB-CG2 4.19Å; A103-I220 HydrophobicContact CB-CD1 3.61Å; A103-I220 HydrophobicContact CB-CG1 3.76Å; T115-I220 HydrophobicContact CG2-CG2 4.02Å; P215-I220 HydrophobicContact CB-CD1 4.5Å; P215-I220 HydrophobicContact CB-CG1 3.9Å; D216-I220 WeakPolarHBondContact O-CG1 3.46Å; D216-I220 PolarHBondContact O-N 2.72Å; E217-I220 PolarHBondContact O-N 2.8Å; I220-R223 PolarHBondContact O-N 3.08Å; I220-R224 WeakPolarHBondContact O-CB 3.44Å; I220-R224 WeakPolarHBondContact O-CG 3.22Å; I220-R224 PolarHBondContact O-N 3.44Å; I220-R224 VanDerWaalsContact O-N 3.08Å
221	F	91	Very high	82	Confident	136 Å²	136	72.2 Å²	72.2	60%	0.596	39%	0.391	S	S	*	.	H	α-helix	trans	-60.2	-46.8	176.8	-177.8	-95.1	0	0	0	112.3	E217 K218 E219 R224 A225	E217-F221 PolarHBondContact O-N 3.28Å; K218-F221 PolarHBondContact O-N 2.89Å; E219-F221 VanDerWaalsContact C-N 3.32Å; E219-F221 PolarHBondContact O-N 3.27Å; F221-R224 PolarHBondContact O-N 2.88Å; F221-A225 WeakPolarHBondContact O-CB 3.44Å; F221-A225 PolarHBondContact O-N 3.26Å
222	I	91.1	Very high	79.7	Confident	16 Å²	16	73 Å²	73	8%	0.082	39%	0.392	C	S	.	.	H	α-helix	trans	-62.1	-46.1	178.8	-68.3	163.7	0	0	0	111.2	K218 E219 R224 A225 L226 L241 A244	K218-I222 WeakPolarHBondContact O-CD1 3.39Å; K218-I222 VanDerWaalsContact O-CG1 3.25Å; K218-I222 WeakPolarHBondContact O-CG1 3.14Å; K218-I222 PolarHBondContact O-N 3.19Å; E219-I222 PolarHBondContact O-N 3.44Å; I222-R224 PolarHBondContact O-N 3.35Å; I222-A225 PolarHBondContact O-N 2.77Å; I222-L226 HydrophobicContact CG2-CD1 3.69Å; I222-L226 HydrophobicContact CG2-CG 4.43Å; I222-L226 WeakPolarHBondContact O-CB 3.33Å; I222-L226 PolarHBondContact O-N 3Å; I222-L241 HydrophobicContact CB-CD2 4.41Å; I222-L241 HydrophobicContact CD1-CD2 4.23Å; I222-L241 HydrophobicContact CG2-CD2 3.86Å; I222-A244 HydrophobicContact CD1-CB 3.89Å
223	R	88.4	Confident	77.2	Confident	60 Å²	60	75.9 Å²	75.9	23%	0.226	41%	0.411	C	S	.	.	H	α-helix	trans	-61	-28.6	177.3	-74.7	177.2	179.2	-80	-2.9	113.1	T115 E219 I220	T115-R223 HydrophobicContact CG2-CB 4Å; E219-R223 HydrophobicContact CG-CG 4.44Å; E219-R223 WeakPolarHBondContact O-CB 3.5Å; E219-R223 WeakPolarHBondContact O-CG 3.32Å; E219-R223 PolarHBondContact O-N 3.05Å; E219-R223 IonicContact OE1-CZ 2.66Å; E219-R223 IonicContact OE1-NE 3.07Å; E219-R223 PolarHBondContact OE1-NE 2.63Å; E219-R223 IonicContact OE1-NH2 3.03Å; E219-R223 PolarHBondContact OE1-NH2 2.95Å; I220-R223 PolarHBondContact O-N 3.08Å
224	R	87.1	Confident	75.1	Confident	63 Å²	63	78.2 Å²	78.2	24%	0.238	42%	0.415	C	S	.	.	H	α-helix	trans	-83.5	-35.4	177	-71	173.5	57.8	68.7	10.9	112.5	T115 K117 E133 I220 F221 I222	T115-R224 HydrophobicContact CG2-CG 4.28Å; T115-R224 WeakPolarHBondContact OG1-CG 3.25Å; K117-R224 VanDerWaalsContact CB-CZ 3.46Å; K117-R224 VanDerWaalsContact CB-NH2 3.33Å; E133-R224 IonicContact OE1-CZ 3.07Å; E133-R224 IonicContact OE1-NH1 2.88Å; E133-R224 IonicContact OE1-NH2 3.27Å; E133-R224 PolarHBondContact OE1-NH2 3.2Å; E133-R224 IonicContact OE2-CZ 3.43Å; E133-R224 IonicContact OE2-NH1 2.69Å; E133-R224 PolarHBondContact OE2-NH1 3.35Å; E133-R224 IonicContact OE2-NH2 2.63Å; E133-R224 PolarHBondContact OE2-NH2 3.21Å; I220-R224 WeakPolarHBondContact O-CB 3.44Å; I220-R224 WeakPolarHBondContact O-CG 3.22Å; I220-R224 PolarHBondContact O-N 3.44Å; I220-R224 VanDerWaalsContact O-N 3.08Å; F221-R224 PolarHBondContact O-N 2.88Å; I222-R224 PolarHBondContact O-N 3.35Å
225	A	85.5	Confident	73.1	Confident	63 Å²	63	80 Å²	80	52%	0.521	44%	0.435	S	S	.	.	H	α-helix	trans	-76.1	-29.5	178.5	0	0	0	0	0	112.7	F221 I222	F221-A225 WeakPolarHBondContact O-CB 3.44Å; F221-A225 PolarHBondContact O-N 3.26Å; I222-A225 PolarHBondContact O-N 2.77Å
226	L	79.6	Confident	71.1	Confident	62 Å²	62	85.3 Å²	85.3	33%	0.325	46%	0.459	S	S	.	.	S	Bend	trans	-107.9	112.4	178.1	-59.5	174.1	0	0	0	108.2	I222 I228 F240	I222-L226 HydrophobicContact CG2-CD1 3.69Å; I222-L226 HydrophobicContact CG2-CG 4.43Å; I222-L226 WeakPolarHBondContact O-CB 3.33Å; I222-L226 PolarHBondContact O-N 3Å; L226-I228 HydrophobicContact CB-CG1 3.94Å; L226-I228 PolarHBondContact O-N 3.21Å; L226-F240 HydrophobicContact CD1-CD1 4.23Å; L226-F240 HydrophobicContact CD1-CE1 3.42Å; L226-F240 VanDerWaalsContact CD1-CE1 3.42Å; L226-F240 HydrophobicContact CD1-CZ 4.17Å
227	P	57.5	Low	69	Low	126 Å²	126	81.4 Å²	81.4	82%	0.818	44%	0.438	S	S	*	.			trans	-67.3	79.9	165.2	28	-31	0	0	0	107.8	T229	P227-T229 PolarHBondContact O-N 2.91Å; P227-T229 VanDerWaalsContact O-N 3.08Å
228	I	54.6	Low	67.2	Low	56 Å²	56	83.2 Å²	83.2	29%	0.287	45%	0.45	S	S	.	.			trans	-71.3	103.4	168.9	-56.3	176.3	0	0	0	104.2	L226 D230	L226-I228 HydrophobicContact CB-CG1 3.94Å; L226-I228 PolarHBondContact O-N 3.21Å; I228-D230 PolarHBondContact O-N 2.91Å
229	T	49.3	Very low	65.6	Low	108 Å²	108	80.1 Å²	80.1	66%	0.663	44%	0.444	S	S	*	.			trans	-54.6	123.1	163.8	8.6	0	0	0	0	106.7	P227 A231 Q232	P227-T229 PolarHBondContact O-N 2.91Å; P227-T229 VanDerWaalsContact O-N 3.08Å; T229-A231 PolarHBondContact O-N 2.71Å; T229-Q232 PolarHBondContact O-N 3.22Å
230	D	51.7	Low	64.1	Low	136 Å²	136	83 Å²	83	73%	0.727	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	9.9	-180	-76.1	-42.8	0	0	0	114.7	I228	I228-D230 PolarHBondContact O-N 2.91Å
231	A	46	Very low	62.5	Low	78 Å²	78	84.5 Å²	84.5	65%	0.645	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-6	174.3	0	0	0	0	0	114.4	T229	T229-A231 PolarHBondContact O-N 2.71Å
232	Q	44.6	Very low	61.2	Low	91 Å²	91	86.7 Å²	86.7	43%	0.425	47%	0.468	S	S	.	.	S	Bend	trans	-95.2	120.4	178.1	-61.4	-54.5	-38.2	0	0	111.7	T229	T229-Q232 PolarHBondContact O-N 3.22Å
233	P	42.8	Very low	60.2	Low	75 Å²	75	92.1 Å²	92.1	49%	0.487	49%	0.493	S	S	.	.			trans	-56.7	143.9	179.2	-22.7	31.5	0	0	0	112	S235 Q236	P233-S235 PolarHBondContact O-N 3.08Å; P233-Q236 PolarHBondContact O-N 2.74Å
234	Q	51.3	Low	58.9	Low	145 Å²	145	90.1 Å²	90.1	68%	0.678	49%	0.489	S	S	*	.	H	α-helix	trans	-48.7	-25.2	178.4	-68.2	-179.8	-7	0	0	114.2	Q236 I237 L238	Q234-Q236 VanDerWaalsContact C-N 3.27Å; Q234-Q236 PolarHBondContact O-N 2.68Å; Q234-I237 PolarHBondContact O-N 3.19Å; Q234-L238 PolarHBondContact O-N 3.39Å
235	S	52.3	Low	57.8	Low	88 Å²	88	89.8 Å²	89.8	62%	0.615	50%	0.496	S	S	*	.	H	α-helix	trans	-62.7	-26.9	175.5	57.6	0	0	0	0	114.3	P233 P239	P233-S235 PolarHBondContact O-N 3.08Å; S235-P239 VanDerWaalsContact O-CD 3.3Å; S235-P239 WeakPolarHBondContact O-CD 3.44Å
236	Q	52.3	Low	56.7	Low	116 Å²	116	93 Å²	93	54%	0.542	50%	0.5	S	S	.	.	H	α-helix	trans	-90.7	-19.2	175.5	-60.5	-170.8	9	0	0	112.9	P233 Q234 P239	P233-Q236 PolarHBondContact O-N 2.74Å; Q234-Q236 VanDerWaalsContact C-N 3.27Å; Q234-Q236 PolarHBondContact O-N 2.68Å; Q236-P239 WeakPolarHBondContact O-CD 3.42Å
237	I	51.8	Low	55.8	Low	28 Å²	28	95.9 Å²	95.9	14%	0.144	52%	0.516	C	S	.	.	H	α-helix	trans	-77.3	-44.2	-176.8	-58.3	-179.5	0	0	0	111	Q234 F240 L241	Q234-I237 PolarHBondContact O-N 3.19Å; I237-F240 PolarHBondContact O-N 3.44Å; I237-L241 HydrophobicContact CG2-CD1 3.65Å; I237-L241 HydrophobicContact CG2-CG 3.88Å; I237-L241 WeakPolarHBondContact O-CG 3.47Å; I237-L241 PolarHBondContact O-N 3.44Å
238	L	56.5	Low	55.8	Low	114 Å²	114	93.9 Å²	93.9	60%	0.597	50%	0.498	S	S	*	.	H	α-helix	trans	-59.8	-42.4	-176.7	-71.2	168.2	0	0	0	114.1	Q234 R242	Q234-L238 PolarHBondContact O-N 3.39Å; L238-R242 WeakPolarHBondContact O-CG 3.35Å; L238-R242 PolarHBondContact O-N 3.37Å; L238-R242 VanDerWaalsContact O-N 3.12Å
239	P	59.1	Low	56.2	Low	75 Å²	75	94.6 Å²	94.6	49%	0.487	51%	0.507	S	S	.	.	H	α-helix	trans	-63.7	-40.3	174.1	-20.8	32.1	0	0	0	112.9	S235 Q236 R242 Q243	S235-P239 VanDerWaalsContact O-CD 3.3Å; S235-P239 WeakPolarHBondContact O-CD 3.44Å; Q236-P239 WeakPolarHBondContact O-CD 3.42Å; P239-R242 WeakPolarHBondContact O-CB 3.5Å; P239-R242 PolarHBondContact O-N 3.14Å; P239-Q243 PolarHBondContact O-N 3.12Å
240	F	61.1	Low	56.7	Low	106 Å²	106	93.7 Å²	93.7	47%	0.465	51%	0.506	S	S	.	.	H	α-helix	trans	-70.6	-41.5	-178.6	-167.2	-87	0	0	0	111.9	L226 I237 R242 Q243 A244	L226-F240 HydrophobicContact CD1-CD1 4.23Å; L226-F240 HydrophobicContact CD1-CE1 3.42Å; L226-F240 VanDerWaalsContact CD1-CE1 3.42Å; L226-F240 HydrophobicContact CD1-CZ 4.17Å; I237-F240 PolarHBondContact O-N 3.44Å; F240-R242 VanDerWaalsContact C-N 3.3Å; F240-R242 PolarHBondContact O-N 2.73Å; F240-Q243 PolarHBondContact O-N 3.36Å; F240-A244 PolarHBondContact O-N 3.47Å
241	L	58	Low	56.7	Low	33 Å²	33	91.8 Å²	91.8	17%	0.173	50%	0.503	C	S	.	.	H	α-helix	trans	-60.2	-39.7	172.6	-71.2	179.8	0	0	0	111.6	E219 I222 I237 S245	E219-L241 HydrophobicContact CG-CD1 4.35Å; I222-L241 HydrophobicContact CB-CD2 4.41Å; I222-L241 HydrophobicContact CD1-CD2 4.23Å; I222-L241 HydrophobicContact CG2-CD2 3.86Å; I237-L241 HydrophobicContact CG2-CD1 3.65Å; I237-L241 HydrophobicContact CG2-CG 3.88Å; I237-L241 WeakPolarHBondContact O-CG 3.47Å; I237-L241 PolarHBondContact O-N 3.44Å; L241-S245 WeakPolarHBondContact O-CB 3.3Å; L241-S245 PolarHBondContact O-N 3.48Å; L241-S245 PolarHBondContact O-OG 3.35Å
242	R	65.1	Low	56.8	Low	182 Å²	182	95 Å²	95	69%	0.687	53%	0.529	S	S	*	.	H	α-helix	trans	-61.3	-46.9	172.5	-78.5	-177.5	-177	177.4	1.8	111.6	L238 P239 F240 S245 H246	L238-R242 WeakPolarHBondContact O-CG 3.35Å; L238-R242 PolarHBondContact O-N 3.37Å; L238-R242 VanDerWaalsContact O-N 3.12Å; P239-R242 WeakPolarHBondContact O-CB 3.5Å; P239-R242 PolarHBondContact O-N 3.14Å; F240-R242 VanDerWaalsContact C-N 3.3Å; F240-R242 PolarHBondContact O-N 2.73Å; R242-S245 PolarHBondContact O-N 3.33Å; R242-S245 PolarHBondContact O-OG 3.18Å; R242-H246 PolarHBondContact O-CD2 3.06Å; R242-H246 VanDerWaalsContact O-CD2 3.24Å; R242-H246 PolarHBondContact O-N 3.24Å
243	Q	68.9	Low	57.4	Low	130 Å²	130	95.2 Å²	95.2	61%	0.607	54%	0.535	S	S	*	.	H	α-helix	trans	-61.6	-45.1	177.3	-100.9	175	-6.1	0	0	113.1	P239 F240 S245 H246 L247	P239-Q243 PolarHBondContact O-N 3.12Å; F240-Q243 PolarHBondContact O-N 3.36Å; Q243-S245 PolarHBondContact O-N 2.95Å; Q243-H246 PolarHBondContact O-N 3.01Å; Q243-L247 WeakPolarHBondContact O-CG 3.47Å; Q243-L247 PolarHBondContact O-N 3.08Å
244	A	62.7	Low	58.2	Low	18 Å²	18	96.3 Å²	96.3	15%	0.149	54%	0.537	C	S	.	.	H	α-helix	trans	-64.4	-39.2	177.6	0	0	0	0	0	112.1	I222 F240 H246 L247 L248	I222-A244 HydrophobicContact CD1-CB 3.89Å; F240-A244 PolarHBondContact O-N 3.47Å; A244-H246 VanDerWaalsContact C-N 3.33Å; A244-H246 PolarHBondContact O-N 3.36Å; A244-L247 PolarHBondContact O-N 3.27Å; A244-L248 WeakPolarHBondContact O-CG 3.5Å; A244-L248 PolarHBondContact O-N 2.88Å; A244-L248 VanDerWaalsContact O-N 3.08Å
245	S	63	Low	58.6	Low	55 Å²	55	93.6 Å²	93.6	39%	0.385	53%	0.529	S	S	.	.	H	α-helix	trans	-63.7	-37.7	175.5	73.9	0	0	0	0	112.6	L241 R242 Q243 S249	L241-S245 WeakPolarHBondContact O-CB 3.3Å; L241-S245 PolarHBondContact O-N 3.48Å; L241-S245 PolarHBondContact O-OG 3.35Å; R242-S245 PolarHBondContact O-N 3.33Å; R242-S245 PolarHBondContact O-OG 3.18Å; Q243-S245 PolarHBondContact O-N 2.95Å; S245-S249 PolarHBondContact O-N 3.42Å; S245-S249 VanDerWaalsContact O-N 3.12Å; S245-S249 PolarHBondContact O-OG 3.33Å
246	H	62.6	Low	59	Low	130 Å²	130	93.9 Å²	93.9	60%	0.602	52%	0.524	S	S	*	.	H	α-helix	trans	-66.1	-43.7	174.6	-86.1	-66	0	0	0	112.2	R242 Q243 A244 L248 S249 S250	R242-H246 PolarHBondContact O-CD2 3.06Å; R242-H246 VanDerWaalsContact O-CD2 3.24Å; R242-H246 PolarHBondContact O-N 3.24Å; Q243-H246 PolarHBondContact O-N 3.01Å; A244-H246 VanDerWaalsContact C-N 3.33Å; A244-H246 PolarHBondContact O-N 3.36Å; H246-L248 PolarHBondContact O-N 3.12Å; H246-S249 WeakPolarHBondContact CA-OG 3.47Å; H246-S249 PolarHBondContact O-N 2.89Å; H246-S249 VanDerWaalsContact O-N 3.14Å; H246-S249 PolarHBondContact O-OG 2.91Å; H246-S250 PolarHBondContact O-N 3.02Å; H246-S250 PolarHBondContact O-OG 3.46Å
247	L	60.1	Low	59.4	Low	123 Å²	123	92.5 Å²	92.5	64%	0.644	52%	0.523	S	S	*	.	H	α-helix	trans	-62.5	-41.5	178.5	-71.9	170	0	0	0	112.4	Q243 A244 S249 S250	Q243-L247 WeakPolarHBondContact O-CG 3.47Å; Q243-L247 PolarHBondContact O-N 3.08Å; A244-L247 PolarHBondContact O-N 3.27Å; L247-S249 VanDerWaalsContact C-N 3.28Å; L247-S249 PolarHBondContact O-N 2.88Å; L247-S250 PolarHBondContact O-N 3.35Å; L247-S250 PolarHBondContact O-OG 3.06Å
248	L	58.6	Low	59.9	Low	85 Å²	85	96.8 Å²	96.8	45%	0.445	55%	0.549	S	S	.	.	H	α-helix	trans	-69.5	-24.8	176.1	-71.9	167.6	0	0	0	113	A244 H246 S251	A244-L248 WeakPolarHBondContact O-CG 3.5Å; A244-L248 PolarHBondContact O-N 2.88Å; A244-L248 VanDerWaalsContact O-N 3.08Å; H246-L248 PolarHBondContact O-N 3.12Å; L248-S251 PolarHBondContact O-OG 3.18Å
249	S	62.4	Low	60.1	Low	70 Å²	70	95.6 Å²	95.6	49%	0.49	55%	0.545	S	S	.	.	H	α-helix	trans	-83.8	-22.3	175	68.7	0	0	0	0	113.9	S245 H246 L247	S245-S249 PolarHBondContact O-N 3.42Å; S245-S249 VanDerWaalsContact O-N 3.12Å; S245-S249 PolarHBondContact O-OG 3.33Å; H246-S249 WeakPolarHBondContact CA-OG 3.47Å; H246-S249 PolarHBondContact O-N 2.89Å; H246-S249 VanDerWaalsContact O-N 3.14Å; H246-S249 PolarHBondContact O-OG 2.91Å; L247-S249 VanDerWaalsContact C-N 3.28Å; L247-S249 PolarHBondContact O-N 2.88Å
250	S	59.5	Low	60.2	Low	90 Å²	90	97.2 Å²	97.2	63%	0.629	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-8.8	177.8	56.6	0	0	0	0	114.2	H246 L247	H246-S250 PolarHBondContact O-N 3.02Å; H246-S250 PolarHBondContact O-OG 3.46Å; L247-S250 PolarHBondContact O-N 3.35Å; L247-S250 PolarHBondContact O-OG 3.06Å
251	S	53	Low	60.1	Low	96 Å²	96	96.4 Å²	96.4	67%	0.671	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	13.1	179.1	64.5	0	0	0	0	113.9	L248	L248-S251 PolarHBondContact O-OG 3.18Å
252	A	47.9	Very low	60.3	Low	145 Å²	145	102.2 Å²	102.2	100%	1.198	59%	0.592	S	S	*	*			trans	-116	0	170.2	0	0	0	0	0	108.9

Retrieved 252 of 252 residues in 115.8 ms (Link to these results)

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