A0A077ZH87_TRITR Loading...

Zona pellucida domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZH87, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 246 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	62.1	Low	79.9	Confident	220 Å²	220	124.8 Å²	124.8	100%	1.084	61%	0.607	S	S	*	*				0	-24.4	0	-72.3	177.4	174.1	0	0	114.4
2	H	70.9	Confident	80.2	Confident	149 Å²	149	128.5 Å²	128.5	69%	0.69	61%	0.611	S	S	*	*	H	α-helix	trans	-71.7	-35	178.9	-77.3	-61.5	0	0	0	115.4	N4 R5 I6	H2-N4 VanDerWaalsContact C-N 3.34Å; H2-N4 PolarHBondContact O-N 3.4Å; H2-R5 PolarHBondContact O-N 3.36Å; H2-I6 PolarHBondContact O-N 3.24Å
3	F	75.3	Confident	80.2	Confident	169 Å²	169	128.7 Å²	128.7	74%	0.741	62%	0.617	S	S	*	*	H	α-helix	trans	-59.4	-42.8	-178.3	-170.6	-102.4	0	0	0	112.7	R5 I6 V7	F3-R5 VanDerWaalsContact C-N 3.34Å; F3-R5 PolarHBondContact O-N 3.3Å; F3-I6 PolarHBondContact O-N 2.86Å; F3-V7 HydrophobicContact CD1-CG2 4.44Å; F3-V7 HydrophobicContact CE1-CG2 4.17Å; F3-V7 HydrophobicContact CZ-CG2 4.46Å; F3-V7 WeakPolarHBondContact O-CG2 3.13Å; F3-V7 PolarHBondContact O-N 3.26Å
4	N	77	Confident	80	Confident	107 Å²	107	128.8 Å²	128.8	57%	0.572	62%	0.616	S	S	*	*	H	α-helix	trans	-67.9	-33	-178.6	-138.4	6.9	0	0	0	112.5	H2 H8	H2-N4 VanDerWaalsContact C-N 3.34Å; H2-N4 PolarHBondContact O-N 3.4Å; N4-H8 PolarHBondContact O-CD2 2.85Å; N4-H8 VanDerWaalsContact O-CD2 3.26Å; N4-H8 PolarHBondContact O-N 3.25Å; N4-H8 VanDerWaalsContact O-N 3.16Å
5	R	81.5	Confident	79.4	Confident	190 Å²	190	128.3 Å²	128.3	72%	0.717	62%	0.615	S	S	*	*	H	α-helix	trans	-67.9	-37.4	176.4	-76.6	-174.2	166.8	-176.4	-3.1	112.5	H2 F3 L9	H2-R5 PolarHBondContact O-N 3.36Å; F3-R5 VanDerWaalsContact C-N 3.34Å; F3-R5 PolarHBondContact O-N 3.3Å; R5-L9 WeakPolarHBondContact O-CB 3.47Å; R5-L9 PolarHBondContact O-N 3.31Å
6	I	83.1	Confident	78.7	Confident	116 Å²	116	123.6 Å²	123.6	60%	0.595	60%	0.604	S	S	*	*	H	α-helix	trans	-67.6	-42.8	178.9	-64	168.7	0	0	0	110.5	H2 F3 L9 S10	H2-I6 PolarHBondContact O-N 3.24Å; F3-I6 PolarHBondContact O-N 2.86Å; I6-L9 PolarHBondContact O-N 3.43Å; I6-S10 PolarHBondContact O-N 3.31Å; I6-S10 PolarHBondContact O-OG 3.43Å
7	V	86.6	Confident	77.9	Confident	54 Å²	54	120.3 Å²	120.3	33%	0.327	60%	0.601	S	S	.	*	H	α-helix	trans	-63.7	-42.3	178.1	176.3	0	0	0	0	111.6	F3 S10 I11	F3-V7 HydrophobicContact CD1-CG2 4.44Å; F3-V7 HydrophobicContact CE1-CG2 4.17Å; F3-V7 HydrophobicContact CZ-CG2 4.46Å; F3-V7 WeakPolarHBondContact O-CG2 3.13Å; F3-V7 PolarHBondContact O-N 3.26Å; V7-S10 PolarHBondContact O-N 3.16Å; V7-S10 PolarHBondContact O-OG 3.23Å; V7-I11 HydrophobicContact CG1-CD1 3.81Å; V7-I11 WeakPolarHBondContact O-CD1 3.34Å; V7-I11 VanDerWaalsContact O-CG1 3.25Å; V7-I11 WeakPolarHBondContact O-CG1 3.21Å; V7-I11 PolarHBondContact O-N 3.04Å
8	H	86.3	Confident	77	Confident	102 Å²	102	121.3 Å²	121.3	47%	0.472	61%	0.608	S	S	.	*	H	α-helix	trans	-63.1	-43.4	173.8	-85.7	-73.6	0	0	0	111.8	N4 S10 I11 Y12	N4-H8 PolarHBondContact O-CD2 2.85Å; N4-H8 VanDerWaalsContact O-CD2 3.26Å; N4-H8 PolarHBondContact O-N 3.25Å; N4-H8 VanDerWaalsContact O-N 3.16Å; H8-S10 VanDerWaalsContact C-N 3.34Å; H8-S10 PolarHBondContact O-N 3.26Å; H8-I11 PolarHBondContact O-N 2.97Å; H8-Y12 HydrophobicContact CB-CD2 4.45Å; H8-Y12 WeakPolarHBondContact O-CB 3.48Å; H8-Y12 WeakPolarHBondContact O-CD2 3.49Å; H8-Y12 PolarHBondContact O-N 3.3Å
9	L	86	Confident	76	Confident	132 Å²	132	119.3 Å²	119.3	69%	0.691	61%	0.613	S	S	*	*	H	α-helix	trans	-62.1	-41.1	-179.8	-155	84	0	0	0	112	R5 I6 Y12 L13	R5-L9 WeakPolarHBondContact O-CB 3.47Å; R5-L9 PolarHBondContact O-N 3.31Å; I6-L9 PolarHBondContact O-N 3.43Å; L9-Y12 PolarHBondContact O-N 3.49Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 PolarHBondContact O-N 3.47Å
10	S	84	Confident	75.1	Confident	51 Å²	51	119.3 Å²	119.3	36%	0.357	62%	0.618	S	S	.	*	H	α-helix	trans	-69.4	-38.5	177.3	57.6	0	0	0	0	112.5	I6 V7 H8 L13 Q14	I6-S10 PolarHBondContact O-N 3.31Å; I6-S10 PolarHBondContact O-OG 3.43Å; V7-S10 PolarHBondContact O-N 3.16Å; V7-S10 PolarHBondContact O-OG 3.23Å; H8-S10 VanDerWaalsContact C-N 3.34Å; H8-S10 PolarHBondContact O-N 3.26Å; S10-L13 PolarHBondContact O-N 2.91Å; S10-Q14 WeakPolarHBondContact O-CB 3.28Å; S10-Q14 WeakPolarHBondContact O-CG 3.38Å; S10-Q14 PolarHBondContact O-N 2.95Å
11	I	86.3	Confident	74.3	Confident	83 Å²	83	115.3 Å²	115.3	43%	0.426	61%	0.606	S	S	.	*	H	α-helix	trans	-64.3	-44.5	173.5	-68.6	166.8	0	0	0	110.7	V7 H8 L13 Q14 M15	V7-I11 HydrophobicContact CG1-CD1 3.81Å; V7-I11 WeakPolarHBondContact O-CD1 3.34Å; V7-I11 VanDerWaalsContact O-CG1 3.25Å; V7-I11 WeakPolarHBondContact O-CG1 3.21Å; V7-I11 PolarHBondContact O-N 3.04Å; H8-I11 PolarHBondContact O-N 2.97Å; I11-L13 VanDerWaalsContact C-N 3.31Å; I11-L13 PolarHBondContact O-N 3.06Å; I11-Q14 PolarHBondContact O-N 3.49Å; I11-M15 HydrophobicContact CG2-CG 4.29Å; I11-M15 WeakPolarHBondContact O-CB 3.48Å; I11-M15 VanDerWaalsContact O-CG 3.28Å; I11-M15 WeakPolarHBondContact O-CG 3.25Å; I11-M15 PolarHBondContact O-N 2.82Å
12	Y	83.4	Confident	74.2	Confident	169 Å²	169	112.2 Å²	112.2	66%	0.663	59%	0.591	S	S	*	*	H	α-helix	trans	-61.7	-39.2	175.2	-86.1	-69.7	0	0	0	111.8	H8 L9 M15 A16	H8-Y12 HydrophobicContact CB-CD2 4.45Å; H8-Y12 WeakPolarHBondContact O-CB 3.48Å; H8-Y12 WeakPolarHBondContact O-CD2 3.49Å; H8-Y12 PolarHBondContact O-N 3.3Å; L9-Y12 PolarHBondContact O-N 3.49Å; Y12-M15 PolarHBondContact O-N 3.33Å; Y12-A16 WeakPolarHBondContact O-CB 3.33Å; Y12-A16 PolarHBondContact O-N 2.93Å
13	L	80.6	Confident	74.2	Confident	131 Å²	131	110.9 Å²	110.9	69%	0.686	59%	0.593	S	S	*	*	H	α-helix	trans	-68	-39.2	177.2	-164.9	70.1	0	0	0	112.1	L9 S10 I11 A16 A17	L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 PolarHBondContact O-N 3.47Å; S10-L13 PolarHBondContact O-N 2.91Å; I11-L13 VanDerWaalsContact C-N 3.31Å; I11-L13 PolarHBondContact O-N 3.06Å; L13-A16 PolarHBondContact O-N 2.91Å; L13-A17 WeakPolarHBondContact O-CB 3.36Å; L13-A17 PolarHBondContact O-N 3.13Å
14	Q	76.2	Confident	74.2	Confident	130 Å²	130	105 Å²	105	61%	0.607	57%	0.569	S	S	*	*	H	α-helix	trans	-68.4	-40.6	174.6	-73.6	177.9	6.4	0	0	112.2	S10 I11 A17 L18	S10-Q14 WeakPolarHBondContact O-CB 3.28Å; S10-Q14 WeakPolarHBondContact O-CG 3.38Å; S10-Q14 PolarHBondContact O-N 2.95Å; I11-Q14 PolarHBondContact O-N 3.49Å; Q14-A17 PolarHBondContact O-N 3.5Å; Q14-L18 PolarHBondContact O-N 3.21Å
15	M	71.9	Confident	74.5	Confident	121 Å²	121	104.9 Å²	104.9	60%	0.596	57%	0.568	S	S	*	*	H	α-helix	trans	-67.1	-38.4	174.4	-72	-62.9	-65.9	0	0	111.9	I11 Y12 L18 A19	I11-M15 HydrophobicContact CG2-CG 4.29Å; I11-M15 WeakPolarHBondContact O-CB 3.48Å; I11-M15 VanDerWaalsContact O-CG 3.28Å; I11-M15 WeakPolarHBondContact O-CG 3.25Å; I11-M15 PolarHBondContact O-N 2.82Å; Y12-M15 PolarHBondContact O-N 3.33Å; M15-L18 PolarHBondContact O-N 2.92Å; M15-A19 WeakPolarHBondContact O-CB 3.34Å; M15-A19 PolarHBondContact O-N 3.42Å
16	A	67.5	Low	74.9	Confident	54 Å²	54	96.5 Å²	96.5	45%	0.446	54%	0.537	S	S	.	.	H	α-helix	trans	-65.3	-40.2	173.3	0	0	0	0	0	111.4	Y12 L13 A19 V20	Y12-A16 WeakPolarHBondContact O-CB 3.33Å; Y12-A16 PolarHBondContact O-N 2.93Å; L13-A16 PolarHBondContact O-N 2.91Å; A16-A19 PolarHBondContact O-N 2.94Å; A16-V20 PolarHBondContact O-N 3.35Å; A16-V20 VanDerWaalsContact O-N 3.13Å
17	A	66.1	Low	75.2	Confident	67 Å²	67	95.6 Å²	95.6	55%	0.554	53%	0.531	S	S	*	.	H	α-helix	trans	-65.7	-37.2	175.4	0	0	0	0	0	112.7	L13 Q14 A19 V20	L13-A17 WeakPolarHBondContact O-CB 3.36Å; L13-A17 PolarHBondContact O-N 3.13Å; Q14-A17 PolarHBondContact O-N 3.5Å; A17-A19 VanDerWaalsContact C-N 3.35Å; A17-V20 PolarHBondContact O-N 2.62Å
18	L	62	Low	75.4	Confident	138 Å²	138	93.2 Å²	93.2	72%	0.723	52%	0.516	S	S	*	.	H	α-helix	trans	-69.3	-30.3	171.4	-102.6	140.8	0	0	0	112.9	Q14 M15 V20	Q14-L18 PolarHBondContact O-N 3.21Å; M15-L18 PolarHBondContact O-N 2.92Å; L18-V20 VanDerWaalsContact C-N 3.3Å
19	A	57.6	Low	75.6	Confident	84 Å²	84	92.1 Å²	92.1	69%	0.694	52%	0.516	S	S	*	.	H	α-helix	trans	-77.3	-12.9	176.1	0	0	0	0	0	113.4	M15 A16 A17 G21	M15-A19 WeakPolarHBondContact O-CB 3.34Å; M15-A19 PolarHBondContact O-N 3.42Å; A16-A19 PolarHBondContact O-N 2.94Å; A17-A19 VanDerWaalsContact C-N 3.35Å; A19-G21 PolarHBondContact O-N 2.81Å
20	V	58.2	Low	75.8	Confident	119 Å²	119	88.3 Å²	88.3	72%	0.721	51%	0.509	S	S	*	.	S	Bend	trans	-72.8	68.3	157.2	-168.7	0	0	0	0	106.5	A16 A17 L18	A16-V20 PolarHBondContact O-N 3.35Å; A16-V20 VanDerWaalsContact O-N 3.13Å; A17-V20 PolarHBondContact O-N 2.62Å; L18-V20 VanDerWaalsContact C-N 3.3Å
21	G	57	Low	76.1	Confident	35 Å²	35	92 Å²	92	36%	0.361	53%	0.525	S	S	.	.			trans	-54.9	157.3	-175.9	0	0	0	0	0	110.5	A19 V23	A19-G21 PolarHBondContact O-N 2.81Å; G21-V23 PolarHBondContact O-N 3.41Å
22	M	61.6	Low	76.3	Confident	155 Å²	155	88.4 Å²	88.4	76%	0.764	51%	0.507	S	S	*	.			trans	-45.3	71.6	166.3	50.8	179.8	-75.3	0	0	112.9	I24	M22-I24 PolarHBondContact O-N 3.37Å
23	V	71.2	Confident	76.7	Confident	122 Å²	122	84.6 Å²	84.6	74%	0.739	50%	0.495	S	S	*	.			trans	-74.6	114.7	166.1	-179.7	0	0	0	0	104.6	G21 D25	G21-V23 PolarHBondContact O-N 3.41Å; V23-D25 PolarHBondContact O-N 3.43Å
24	I	74.8	Confident	77.2	Confident	45 Å²	45	79.3 Å²	79.3	23%	0.231	47%	0.468	C	S	.	.			trans	-65.6	103.8	172.7	-61.8	157.9	0	0	0	106.6	M22 N26 F108 H109 T114 V116	M22-I24 PolarHBondContact O-N 3.37Å; I24-N26 HydrophobicContact CG2-CB 3.99Å; I24-N26 PolarHBondContact O-N 3.31Å; I24-F108 HydrophobicContact CD1-CB 4.26Å; I24-F108 WeakPolarHBondContact CD1-O 3.18Å; I24-F108 HydrophobicContact CG2-CB 3.92Å; I24-H109 HydrophobicContact CD1-CB 4.06Å; I24-T114 HydrophobicContact CD1-CG2 3.77Å; I24-V116 HydrophobicContact CB-CG2 4.39Å
25	D	83.3	Confident	77.9	Confident	104 Å²	104	77.5 Å²	77.5	56%	0.556	46%	0.463	S	S	*	.			trans	-76	70.1	172	-180	23.5	0	0	0	108.7	V23 K48 N49	V23-D25 PolarHBondContact O-N 3.43Å; D25-K48 IonicContact OD1-NZ 3.89Å; D25-K48 PolarHBondContact OD1-NZ 2.97Å; D25-K48 IonicContact OD2-NZ 3.57Å; D25-N49 PolarHBondContact O-ND2 3.11Å
26	N	88.9	Confident	78.8	Confident	14 Å²	14	71.9 Å²	71.9	8%	0.075	44%	0.436	C	S	.	.			trans	-145.2	155.6	169.2	-153.2	-9.5	0	0	0	109.4	I24 K48 N49 P50 F108	I24-N26 HydrophobicContact CG2-CB 3.99Å; I24-N26 PolarHBondContact O-N 3.31Å; N26-K48 PolarHBondContact OD1-N 3.07Å; N26-N49 HydrophobicContact CB-CB 4.44Å; N26-N49 PolarHBondContact ND2-O 3.43Å; N26-N49 PolarHBondContact OD1-N 3.17Å; N26-N49 PolarHBondContact OD1-O 3.48Å; N26-P50 PolarHBondContact ND2-O 2.95Å; N26-F108 HydrophobicContact CB-CD1 3.78Å; N26-F108 HydrophobicContact CB-CE1 3.84Å
27	E	89.4	Confident	79.8	Confident	98 Å²	98	70.3 Å²	70.3	46%	0.458	42%	0.424	S	S	.	.			trans	-155.9	156.9	-177.7	-162.3	-176.3	168.4	0	0	109.3	T47 K48 R118	E27-T47 CarbonylContact O-C 3.56Å; E27-T47 WeakPolarHBondContact O-CA 3.4Å; E27-K48 PolarHBondContact O-N 3.29Å; E27-R118 IonicContact OE1-CZ 3.59Å; E27-R118 IonicContact OE1-NH2 2.76Å; E27-R118 PolarHBondContact OE1-NH2 2.81Å
28	I	90.7	Very high	80.6	Confident	4 Å²	4	69.5 Å²	69.5	2%	0.021	41%	0.412	C	S	.	.	B	Isolated β-bridge	trans	-77.2	127.2	167.9	-58	177.9	0	0	0	108.7	F45 K46 V106 F108 R118 Y120	I28-F45 HydrophobicContact CD1-CD1 4.01Å; I28-F45 HydrophobicContact CG2-CD1 4.24Å; I28-K46 CarbonylContact C-O 3.58Å; I28-K46 WeakPolarHBondContact CA-O 3.26Å; I28-V106 HydrophobicContact CD1-CB 3.94Å; I28-V106 HydrophobicContact CD1-CG1 4.01Å; I28-V106 HydrophobicContact CD1-CG2 4.01Å; I28-F108 HydrophobicContact CG1-CE2 4.23Å; I28-F108 HydrophobicContact CG1-CZ 3.84Å; I28-R118 HydrophobicContact CD1-CB 4.01Å; I28-R118 HydrophobicContact CD1-CG 4.41Å; I28-Y120 HydrophobicContact CD1-CE2 3.55Å
29	V	91.1	Very high	81.9	Confident	78 Å²	78	68.6 Å²	68.6	47%	0.473	41%	0.408	S	S	.	.			trans	-98.1	111.5	-178.9	179.9	0	0	0	0	109.2	K46 K48	V29-K46 HydrophobicContact CB-CB 4.45Å; V29-K46 PolarHBondContact N-O 2.92Å; V29-K48 HydrophobicContact CG2-CB 3.91Å
30	G	90.6	Very high	83.5	Confident	53 Å²	53	68.5 Å²	68.5	55%	0.546	40%	0.395	S	S	.	.	S	Bend	trans	73.1	-168.2	-179.7	0	0	0	0	0	113.7
31	D	88.8	Confident	85.1	Confident	128 Å²	128	62.9 Å²	62.9	68%	0.684	36%	0.36	S	S	*	.	S	Bend	trans	-80.5	145.7	178	-59.3	-40	0	0	0	111
32	P	91.6	Very high	86.9	Confident	8 Å²	8	64.4 Å²	64.4	5%	0.052	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-66.7	145.3	172.9	27.1	-35.8	0	0	0	112.9	V43 K44 F45 Y120 I196	P32-V43 HydrophobicContact CB-CG1 4.41Å; P32-K44 CarbonylContact C-O 3.59Å; P32-K44 VanDerWaalsContact CA-O 3.3Å; P32-K44 WeakPolarHBondContact CA-O 3.32Å; P32-K44 WeakPolarHBondContact CB-O 3.18Å; P32-F45 HydrophobicContact CB-CD1 3.55Å; P32-F45 HydrophobicContact CB-CE1 3.47Å; P32-F45 VanDerWaalsContact CB-CE1 3.47Å; P32-F45 HydrophobicContact CB-CG 4.33Å; P32-F45 HydrophobicContact CB-CZ 4.21Å; P32-F45 HydrophobicContact CG-CD1 4.23Å; P32-F45 HydrophobicContact CG-CE1 3.83Å; P32-Y120 HydrophobicContact CG-CD1 3.93Å; P32-Y120 HydrophobicContact CG-CE1 4.13Å; P32-Y120 HydrophobicContact CG-CG 4.28Å; P32-I196 HydrophobicContact CG-CD1 3.11Å
33	E	90.8	Very high	88.4	Confident	88 Å²	88	57.2 Å²	57.2	41%	0.411	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	119.4	173.1	-66	170.4	-177	0	0	108.1	K44 K46	E33-K44 HydrophobicContact CB-CB 4.34Å; E33-K44 PolarHBondContact N-O 2.76Å; E33-K44 PolarHBondContact O-N 3.23Å; E33-K46 WeakPolarHBondContact OE1-CE 3.38Å; E33-K46 IonicContact OE1-NZ 2.64Å; E33-K46 PolarHBondContact OE1-NZ 2.9Å
34	V	91.8	Very high	89.5	Confident	20 Å²	20	55.8 Å²	55.8	12%	0.121	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.7	174.4	-176.8	0	0	0	0	107.8	H42 V122 I196 Q198	V34-H42 CarbonylContact C-O 3.52Å; V34-H42 WeakPolarHBondContact CA-O 3.45Å; V34-V122 HydrophobicContact CG2-CB 4.13Å; V34-V122 HydrophobicContact CG2-CG1 3.83Å; V34-I196 HydrophobicContact CG2-CG2 3.99Å; V34-Q198 PolarHBondContact O-OE1 2.77Å
35	D	90.9	Very high	90.4	Very high	92 Å²	92	53.7 Å²	53.7	49%	0.492	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	112.7	172.2	-179.2	25.5	0	0	0	110.2	M41 H42 Q198	D35-M41 CarbonylContact O-C 3.5Å; D35-M41 VanDerWaalsContact O-CA 3.28Å; D35-M41 WeakPolarHBondContact O-CA 3.12Å; D35-H42 HydrophobicContact CB-CB 4.28Å; D35-H42 PolarHBondContact N-O 3.27Å; D35-H42 PolarHBondContact O-N 3.28Å; D35-Q198 VanDerWaalsContact CA-OE1 3.26Å
36	C	91.6	Very high	90.9	Very high	4 Å²	4	53.5 Å²	53.5	3%	0.027	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	101.6	-174.6	-63.8	0	0	0	0	111.3	C124 Q198 V200	C36-C124 HydrophobicContact CB-CB 3.7Å; C36-C124 WeakPolarHBondContact CB-SG 3.21Å; C36-C124 WeakPolarHBondContact SG-CA 3.47Å; C36-C124 WeakPolarHBondContact SG-CB 3.47Å; C36-C124 CovalentContact SG-SG 2.01Å; C36-C124 PolarHBondContact SG-SG 2.93Å; C36-Q198 PolarHBondContact SG-OE1 3.03Å; C36-V200 HydrophobicContact CB-CG2 3.54Å
37	G	87.2	Confident	91.1	Very high	20 Å²	20	53.2 Å²	53.2	21%	0.206	29%	0.289	C	S	.	.			trans	-83.6	-169.2	173.1	0	0	0	0	0	113.7	M40 Y82 Y126	G37-M40 VanDerWaalsContact CA-O 3.24Å; G37-M40 WeakPolarHBondContact CA-O 3.31Å; G37-M40 PolarHBondContact N-O 2.75Å; G37-Y82 VanDerWaalsContact O-CE2 3.3Å; G37-Y82 WeakPolarHBondContact O-CE2 3.3Å; G37-Y82 PolarHBondContact O-OH 3.07Å; G37-Y82 VanDerWaalsContact O-OH 3.06Å; G37-Y126 PolarHBondContact O-OH 2.99Å
38	V	83.9	Confident	91.3	Very high	50 Å²	50	53.4 Å²	53.4	30%	0.303	29%	0.288	S	S	.	.	S	Bend	trans	-69.6	-47.6	177.5	-66.3	0	0	0	0	113.7	Y82 A238 M240	V38-Y82 VanDerWaalsContact O-CD2 3.25Å; V38-Y82 WeakPolarHBondContact O-CD2 3.46Å; V38-Y82 WeakPolarHBondContact O-CE2 3.25Å; V38-A238 WeakPolarHBondContact CG1-O 3.2Å; V38-M240 HydrophobicContact CB-CB 4.31Å; V38-M240 HydrophobicContact CB-CG 4.1Å; V38-M240 HydrophobicContact CG1-CB 3.67Å; V38-M240 HydrophobicContact CG1-CG 3.99Å; V38-M240 VanDerWaalsContact CG1-N 3.33Å
39	D	88.4	Confident	91.4	Very high	120 Å²	120	55.9 Å²	55.9	64%	0.642	30%	0.301	S	S	*	.	S	Bend	trans	-118	-13.7	-168.6	-70.1	-35.6	0	0	0	111.9	A81 Y82	D39-A81 CarbonylContact O-C 3.57Å; D39-A81 WeakPolarHBondContact O-CA 3.44Å; D39-Y82 WeakPolarHBondContact O-CD2 3.42Å; D39-Y82 PolarHBondContact O-N 2.82Å
40	M	92.1	Very high	91.5	Very high	82 Å²	82	55.4 Å²	55.4	40%	0.404	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	149.9	-176.6	61.3	-170.2	177.4	0	0	111.3	G37 T79 I80 Y82	G37-M40 VanDerWaalsContact CA-O 3.24Å; G37-M40 WeakPolarHBondContact CA-O 3.31Å; G37-M40 PolarHBondContact N-O 2.75Å; M40-T79 HydrophobicContact CB-CG2 4.09Å; M40-T79 HydrophobicContact CG-CG2 4.04Å; M40-T79 HydrophobicContact SD-CG2 3.45Å; M40-T79 WeakPolarHBondContact SD-CG2 3.5Å; M40-I80 CarbonylContact C-O 3.55Å; M40-I80 WeakPolarHBondContact CA-O 3.49Å; M40-I80 WeakPolarHBondContact CB-O 3.39Å; M40-Y82 PolarHBondContact O-OH 2.66Å
41	M	91.9	Very high	91.6	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	142.3	168.7	60.9	-179.5	78.4	0	0	110.1	D35 I80 Y82 V87 L100 A102 V122	D35-M41 CarbonylContact O-C 3.5Å; D35-M41 VanDerWaalsContact O-CA 3.28Å; D35-M41 WeakPolarHBondContact O-CA 3.12Å; M41-I80 HydrophobicContact CG-CB 3.85Å; M41-I80 HydrophobicContact CG-CD1 4.27Å; M41-I80 HydrophobicContact CG-CG1 4.48Å; M41-I80 PolarHBondContact N-O 3.07Å; M41-I80 PolarHBondContact O-N 3.2Å; M41-I80 HydrophobicContact SD-CD1 4.3Å; M41-Y82 HydrophobicContact CB-CE1 3.8Å; M41-Y82 HydrophobicContact CE-CD1 4.01Å; M41-Y82 HydrophobicContact CE-CE1 3.44Å; M41-Y82 VanDerWaalsContact CE-CE1 3.44Å; M41-Y82 HydrophobicContact CG-CE1 3.93Å; M41-V87 HydrophobicContact CE-CG1 4.21Å; M41-L100 HydrophobicContact CE-CB 4.18Å; M41-A102 HydrophobicContact SD-CB 4.45Å; M41-V122 HydrophobicContact SD-CG2 3.75Å
42	H	93.9	Very high	91.7	Very high	68 Å²	68	52.8 Å²	52.8	32%	0.315	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.8	172.2	-57.9	-75	0	0	0	109.1	V34 D35 T79	V34-H42 CarbonylContact C-O 3.52Å; V34-H42 WeakPolarHBondContact CA-O 3.45Å; D35-H42 HydrophobicContact CB-CB 4.28Å; D35-H42 PolarHBondContact N-O 3.27Å; D35-H42 PolarHBondContact O-N 3.28Å; H42-T79 VanDerWaalsContact CE1-CG2 3.45Å; H42-T79 WeakPolarHBondContact CE1-CG2 3.24Å; H42-T79 PolarHBondContact CE1-OG1 3.03Å; H42-T79 PolarHBondContact ND1-OG1 2.76Å
43	V	94.5	Very high	91.7	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.018	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.8	177.4	-172.7	0	0	0	0	108.1	P32 F45 G77 L78 I80 V104 V122	P32-V43 HydrophobicContact CB-CG1 4.41Å; V43-F45 HydrophobicContact CB-CE2 4.39Å; V43-F45 HydrophobicContact CG1-CD2 4.41Å; V43-F45 HydrophobicContact CG1-CE1 4.34Å; V43-F45 HydrophobicContact CG1-CE2 3.53Å; V43-F45 HydrophobicContact CG1-CZ 3.48Å; V43-F45 VanDerWaalsContact CG1-CZ 3.48Å; V43-G77 CarbonylContact O-C 3.55Å; V43-G77 WeakPolarHBondContact O-CA 3.48Å; V43-L78 PolarHBondContact N-O 2.75Å; V43-L78 PolarHBondContact O-N 2.85Å; V43-I80 HydrophobicContact CG2-CD1 4.05Å; V43-V104 HydrophobicContact CG2-CG2 4.36Å; V43-V122 HydrophobicContact CG1-CG1 4.05Å; V43-V122 HydrophobicContact CG2-CB 4.43Å; V43-V122 HydrophobicContact CG2-CG1 4.2Å; V43-V122 HydrophobicContact CG2-CG2 4.08Å
44	K	93.4	Very high	91.8	Very high	93 Å²	93	49.4 Å²	49.4	40%	0.404	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.3	-177.7	-173.6	-178.8	178.3	-171.4	0	110.8	P32 E33 A76	P32-K44 CarbonylContact C-O 3.59Å; P32-K44 VanDerWaalsContact CA-O 3.3Å; P32-K44 WeakPolarHBondContact CA-O 3.32Å; P32-K44 WeakPolarHBondContact CB-O 3.18Å; E33-K44 HydrophobicContact CB-CB 4.34Å; E33-K44 PolarHBondContact N-O 2.76Å; E33-K44 PolarHBondContact O-N 3.23Å; K44-A76 CarbonylContact C-O 3.55Å; K44-A76 WeakPolarHBondContact CA-O 3.39Å
45	F	93.8	Very high	92	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139.9	179.8	-56.9	-88.9	0	0	0	109	I28 P32 V43 V55 T75 A76 V104 V106 Y120	I28-F45 HydrophobicContact CD1-CD1 4.01Å; I28-F45 HydrophobicContact CG2-CD1 4.24Å; P32-F45 HydrophobicContact CB-CD1 3.55Å; P32-F45 HydrophobicContact CB-CE1 3.47Å; P32-F45 VanDerWaalsContact CB-CE1 3.47Å; P32-F45 HydrophobicContact CB-CG 4.33Å; P32-F45 HydrophobicContact CB-CZ 4.21Å; P32-F45 HydrophobicContact CG-CD1 4.23Å; P32-F45 HydrophobicContact CG-CE1 3.83Å; V43-F45 HydrophobicContact CB-CE2 4.39Å; V43-F45 HydrophobicContact CG1-CD2 4.41Å; V43-F45 HydrophobicContact CG1-CE1 4.34Å; V43-F45 HydrophobicContact CG1-CE2 3.53Å; V43-F45 HydrophobicContact CG1-CZ 3.48Å; V43-F45 VanDerWaalsContact CG1-CZ 3.48Å; F45-V55 HydrophobicContact CD2-CG1 4.36Å; F45-V55 HydrophobicContact CE2-CG1 3.8Å; F45-T75 CarbonylContact O-C 3.6Å; F45-T75 VanDerWaalsContact O-CA 3.25Å; F45-T75 WeakPolarHBondContact O-CA 3.37Å; F45-A76 HydrophobicContact CB-CB 4.32Å; F45-A76 PolarHBondContact N-O 2.69Å; F45-A76 PolarHBondContact O-N 3.4Å; F45-V104 HydrophobicContact CE2-CG1 3.91Å; F45-V104 HydrophobicContact CZ-CB 4.39Å; F45-V104 HydrophobicContact CZ-CG1 3.78Å; F45-V106 HydrophobicContact CD1-CG2 3.95Å; F45-V106 HydrophobicContact CD2-CG2 3.89Å; F45-V106 HydrophobicContact CE1-CG2 3.74Å; F45-V106 HydrophobicContact CE2-CG2 3.67Å; F45-V106 HydrophobicContact CG-CG2 4.04Å; F45-V106 HydrophobicContact CZ-CG2 3.59Å; F45-Y120 HydrophobicContact CD1-CD2 4.48Å; F45-Y120 HydrophobicContact CD1-CE2 4.26Å; F45-Y120 AromaticContact CE1-CD2 3.52Å; F45-Y120 HydrophobicContact CE1-CD2 3.52Å; F45-Y120 AromaticContact CE1-CE2 3.71Å; F45-Y120 HydrophobicContact CE1-CE2 3.71Å; F45-Y120 HydrophobicContact CE1-CG 4.14Å; F45-Y120 HydrophobicContact CZ-CD2 4.16Å
46	K	93.6	Very high	92.2	Very high	101 Å²	101	45.5 Å²	45.5	44%	0.439	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	134.9	167.6	-67.6	173.4	-174.8	159.6	0	108.1	I28 V29 E33	I28-K46 CarbonylContact C-O 3.58Å; I28-K46 WeakPolarHBondContact CA-O 3.26Å; V29-K46 HydrophobicContact CB-CB 4.45Å; V29-K46 PolarHBondContact N-O 2.92Å; E33-K46 WeakPolarHBondContact OE1-CE 3.38Å; E33-K46 IonicContact OE1-NZ 2.64Å; E33-K46 PolarHBondContact OE1-NZ 2.9Å
47	T	93.4	Very high	92.5	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.043	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-117.1	149.2	180	58.7	0	0	0	0	110.9	E27 N49 F51 H74 F108	E27-T47 CarbonylContact O-C 3.56Å; E27-T47 WeakPolarHBondContact O-CA 3.4Å; T47-N49 WeakPolarHBondContact CB-O 3.23Å; T47-N49 PolarHBondContact OG1-O 3.35Å; T47-F51 HydrophobicContact CG2-CB 4.21Å; T47-F51 HydrophobicContact CG2-CD2 4.07Å; T47-F51 HydrophobicContact CG2-CG 4.46Å; T47-H74 PolarHBondContact N-O 2.69Å; T47-H74 VanDerWaalsContact OG1-C 3.31Å; T47-H74 WeakPolarHBondContact OG1-CA 3.24Å; T47-H74 PolarHBondContact OG1-O 3.07Å; T47-F108 HydrophobicContact CG2-CE1 4.12Å; T47-F108 HydrophobicContact CG2-CZ 4.43Å
48	K	93.5	Very high	92.8	Very high	102 Å²	102	49.9 Å²	49.9	44%	0.443	24%	0.243	S	C	.	.	S	Bend	trans	-62.2	-45.2	179.8	179.2	-173.4	170.4	-164.2	0	111.2	D25 N26 E27 V29 H74	D25-K48 IonicContact OD1-NZ 3.89Å; D25-K48 PolarHBondContact OD1-NZ 2.97Å; D25-K48 IonicContact OD2-NZ 3.57Å; N26-K48 PolarHBondContact OD1-N 3.07Å; E27-K48 PolarHBondContact O-N 3.29Å; V29-K48 HydrophobicContact CG2-CB 3.91Å; K48-H74 PolarHBondContact O-CD2 3.33Å
49	N	92.7	Very high	93.2	Very high	56 Å²	56	51.1 Å²	51.1	30%	0.299	27%	0.265	S	S	.	.	S	Bend	trans	-120.4	165.7	179.1	-71.2	-40.4	0	0	0	110.2	D25 N26 T47 F51	D25-N49 PolarHBondContact O-ND2 3.11Å; N26-N49 HydrophobicContact CB-CB 4.44Å; N26-N49 PolarHBondContact ND2-O 3.43Å; N26-N49 PolarHBondContact OD1-N 3.17Å; N26-N49 PolarHBondContact OD1-O 3.48Å; T47-N49 WeakPolarHBondContact CB-O 3.23Å; T47-N49 PolarHBondContact OG1-O 3.35Å; N49-F51 PolarHBondContact O-N 2.84Å
50	P	92.9	Very high	93.6	Very high	68 Å²	68	46.8 Å²	46.8	44%	0.442	24%	0.241	S	C	.	.			trans	-50.1	129.4	176.8	-28	36.4	0	0	0	111.5	N26 E52 N73 H74	N26-P50 PolarHBondContact ND2-O 2.95Å; P50-E52 PolarHBondContact O-N 2.86Å; P50-N73 CarbonylContact C-O 3.48Å; P50-N73 WeakPolarHBondContact CA-O 3.48Å; P50-H74 WeakPolarHBondContact CD-NE2 3.48Å
51	F	92.5	Very high	93.6	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.009	24%	0.237	C	C	.	.			trans	-77.1	119.8	-173.3	178.5	-109.5	0	0	0	111.2	T47 N49 V55 A70 N72 N73 A76 V106 T107 F108	T47-F51 HydrophobicContact CG2-CB 4.21Å; T47-F51 HydrophobicContact CG2-CD2 4.07Å; T47-F51 HydrophobicContact CG2-CG 4.46Å; N49-F51 PolarHBondContact O-N 2.84Å; F51-V55 HydrophobicContact CE1-CG2 3.99Å; F51-V55 HydrophobicContact CZ-CG2 3.87Å; F51-A70 WeakPolarHBondContact O-CB 3.33Å; F51-N72 PolarHBondContact O-N 3Å; F51-N73 PolarHBondContact N-O 3.35Å; F51-A76 HydrophobicContact CB-CB 4.3Å; F51-A76 HydrophobicContact CD1-CB 3.48Å; F51-A76 VanDerWaalsContact CD1-CB 3.48Å; F51-A76 HydrophobicContact CD2-CB 4.04Å; F51-A76 HydrophobicContact CE1-CB 3.7Å; F51-A76 HydrophobicContact CE2-CB 4.22Å; F51-A76 HydrophobicContact CG-CB 3.66Å; F51-A76 HydrophobicContact CZ-CB 4.06Å; F51-V106 HydrophobicContact CE2-CG1 3.76Å; F51-V106 HydrophobicContact CZ-CG1 4.16Å; F51-T107 WeakPolarHBondContact CZ-O 3.31Å; F51-F108 AromaticContact CD2-CD1 3.97Å; F51-F108 HydrophobicContact CD2-CD1 3.97Å; F51-F108 AromaticContact CD2-CE1 3.9Å; F51-F108 HydrophobicContact CD2-CE1 3.9Å; F51-F108 HydrophobicContact CE2-CD1 4.06Å; F51-F108 HydrophobicContact CE2-CE1 4.16Å
52	E	91.1	Very high	93.8	Very high	124 Å²	124	53.5 Å²	53.5	58%	0.579	27%	0.274	S	S	*	.			trans	-119.5	124	168.5	-173	177.9	175.5	0	0	108.7	P50 F108	P50-E52 PolarHBondContact O-N 2.86Å; E52-F108 CarbonylContact O-C 3.51Å; E52-F108 WeakPolarHBondContact O-CA 3.5Å
53	G	92.1	Very high	93.9	Very high	2 Å²	2	52.8 Å²	52.8	2%	0.021	27%	0.274	C	S	.	.	S	Bend	trans	138.5	-149.8	-174.5	0	0	0	0	0	113.2	A70 T107	G53-A70 PolarHBondContact O-N 2.81Å; G53-T107 CarbonylContact C-O 3.59Å; G53-T107 VanDerWaalsContact CA-O 3.28Å; G53-T107 WeakPolarHBondContact CA-O 3.38Å
54	H	92.8	Very high	93.9	Very high	24 Å²	24	57.3 Å²	57.3	11%	0.111	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	145.7	-172	-55.6	-73.9	0	0	0	112.4	Y56 Y61 S68 N69 T107 P110	H54-Y56 HydrophobicContact CB-CD1 4.13Å; H54-Y61 HydrophobicContact CB-CE2 4.33Å; H54-S68 WeakPolarHBondContact CA-O 3.38Å; H54-N69 PolarHBondContact CE1-OD1 3.32Å; H54-N69 PolarHBondContact ND1-OD1 2.92Å; H54-T107 PolarHBondContact N-O 2.83Å; H54-T107 PolarHBondContact N-OG1 2.81Å; H54-T107 PolarHBondContact O-N 3.28Å; H54-T107 PolarHBondContact O-OG1 3.09Å; H54-P110 WeakPolarHBondContact NE2-CA 3.28Å; H54-P110 PolarHBondContact NE2-O 3.12Å
55	V	95.4	Very high	94	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123	167.7	-176.5	0	0	0	0	107.8	F45 F51 R67 S68 A76 L78 V104 V105 V106	F45-V55 HydrophobicContact CD2-CG1 4.36Å; F45-V55 HydrophobicContact CE2-CG1 3.8Å; F51-V55 HydrophobicContact CE1-CG2 3.99Å; F51-V55 HydrophobicContact CZ-CG2 3.87Å; V55-R67 CarbonylContact O-C 3.55Å; V55-R67 WeakPolarHBondContact O-CA 3.43Å; V55-S68 PolarHBondContact N-O 3.43Å; V55-S68 PolarHBondContact O-N 2.81Å; V55-A76 HydrophobicContact CG2-CB 3.65Å; V55-L78 HydrophobicContact CB-CB 4.41Å; V55-L78 HydrophobicContact CG1-CB 3.77Å; V55-L78 HydrophobicContact CG1-CD2 4.33Å; V55-V104 HydrophobicContact CG1-CG1 3.52Å; V55-V105 WeakPolarHBondContact CA-O 3.49Å; V55-V106 HydrophobicContact CG1-CG2 4.31Å; V55-V106 HydrophobicContact CG2-CG1 4.35Å; V55-V106 HydrophobicContact CG2-CG2 4.29Å
56	Y	95.9	Very high	94.2	Very high	29 Å²	29	55.4 Å²	55.4	11%	0.114	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	159.5	-176.6	59.6	-87.2	0	0	0	113.4	H54 Y61 C66 V104 V105 T107	H54-Y56 HydrophobicContact CB-CD1 4.13Å; Y56-Y61 AromaticContact CD1-CD2 3.63Å; Y56-Y61 HydrophobicContact CD1-CD2 3.63Å; Y56-Y61 HydrophobicContact CD1-CE2 4.11Å; Y56-Y61 HydrophobicContact CD2-CD2 4.07Å; Y56-Y61 AromaticContact CE1-CD2 3.78Å; Y56-Y61 HydrophobicContact CE1-CD2 3.78Å; Y56-Y61 HydrophobicContact CE1-CE2 4.18Å; Y56-Y61 HydrophobicContact CE2-CD2 4.23Å; Y56-Y61 AromaticContact CG-CD2 3.78Å; Y56-Y61 HydrophobicContact CG-CD2 3.78Å; Y56-C66 CarbonylContact C-O 3.59Å; Y56-C66 WeakPolarHBondContact CA-O 3.35Å; Y56-C66 WeakPolarHBondContact CB-O 3.14Å; Y56-V104 WeakPolarHBondContact O-CA 3.43Å; Y56-V105 HydrophobicContact CD2-CB 4.29Å; Y56-V105 HydrophobicContact CE1-CB 4.2Å; Y56-V105 HydrophobicContact CE1-CG1 4.23Å; Y56-V105 HydrophobicContact CE2-CB 3.82Å; Y56-V105 HydrophobicContact CE2-CG1 4.28Å; Y56-V105 HydrophobicContact CE2-CG2 4.11Å; Y56-V105 PolarHBondContact N-O 3.44Å; Y56-V105 PolarHBondContact O-N 2.91Å; Y56-T107 HydrophobicContact CE1-CG2 3.57Å
57	V	96.7	Very high	94.3	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.024	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	133.5	172.4	-177.5	0	0	0	0	110	G59 H60 C66 L78 I80 C85 A102 I103	V57-G59 PolarHBondContact O-N 2.96Å; V57-H60 HydrophobicContact CB-CB 4.24Å; V57-H60 WeakPolarHBondContact O-CA 3.3Å; V57-H60 PolarHBondContact O-N 3.26Å; V57-C66 HydrophobicContact CB-CB 4.32Å; V57-C66 HydrophobicContact CG2-CB 4.35Å; V57-C66 PolarHBondContact N-O 2.82Å; V57-L78 HydrophobicContact CG2-CD2 3.93Å; V57-I80 HydrophobicContact CG2-CD1 3.79Å; V57-I80 HydrophobicContact CG2-CG1 3.92Å; V57-I80 HydrophobicContact CG2-CG2 4.06Å; V57-C85 HydrophobicContact CB-CB 4.12Å; V57-C85 HydrophobicContact CG1-CB 4.14Å; V57-C85 HydrophobicContact CG2-CB 3.93Å; V57-A102 HydrophobicContact CG1-CB 4.5Å; V57-I103 CarbonylContact C-O 3.2Å; V57-I103 WeakPolarHBondContact CA-O 3.01Å
58	K	93.4	Very high	94.4	Very high	112 Å²	112	55.5 Å²	55.5	49%	0.487	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	128.3	178	-175.4	176.5	179.2	174.3	0	110.8	H60 I103 V105	K58-H60 VanDerWaalsContact C-N 3.26Å; K58-H60 PolarHBondContact O-N 2.74Å; K58-H60 PolarHBondContact O-ND1 3.44Å; K58-I103 HydrophobicContact CB-CB 3.82Å; K58-I103 HydrophobicContact CB-CG2 3.87Å; K58-I103 HydrophobicContact CD-CB 4.21Å; K58-I103 HydrophobicContact CD-CD1 3.97Å; K58-I103 HydrophobicContact CD-CG2 3.92Å; K58-I103 PolarHBondContact N-O 2.94Å; K58-V105 HydrophobicContact CB-CG2 4.23Å
59	G	94.2	Very high	94.3	Very high	75 Å²	75	54.9 Å²	54.9	77%	0.773	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	-0.8	-178.2	0	0	0	0	0	115.2	V57	V57-G59 PolarHBondContact O-N 2.96Å
60	H	95.7	Very high	93.9	Very high	30 Å²	30	54 Å²	54	14%	0.139	31%	0.307	C	S	.	.			trans	-125.7	32.7	-176.4	-66	77.5	0	0	0	112.5	V57 K58 D62 T63 C66 D86	V57-H60 HydrophobicContact CB-CB 4.24Å; V57-H60 WeakPolarHBondContact O-CA 3.3Å; V57-H60 PolarHBondContact O-N 3.26Å; K58-H60 VanDerWaalsContact C-N 3.26Å; K58-H60 PolarHBondContact O-N 2.74Å; K58-H60 PolarHBondContact O-ND1 3.44Å; H60-D62 VanDerWaalsContact C-N 3.3Å; H60-D62 PolarHBondContact O-N 2.92Å; H60-T63 PolarHBondContact O-N 3.44Å; H60-C66 HydrophobicContact CB-CB 3.61Å; H60-D86 VanDerWaalsContact CE1-CB 3.48Å; H60-D86 WeakPolarHBondContact CE1-CB 3.32Å; H60-D86 VanDerWaalsContact CE1-CG 3.41Å; H60-D86 IonicContact CE1-OD2 2.69Å; H60-D86 PolarHBondContact CE1-OD2 2.98Å; H60-D86 VanDerWaalsContact CE1-OD2 3.31Å; H60-D86 IonicContact NE2-OD1 2.66Å; H60-D86 IonicContact NE2-OD2 2.88Å
61	Y	93	Very high	93.4	Very high	80 Å²	80	54.2 Å²	54.2	31%	0.314	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-36.6	179.3	-179.9	-98.7	0	0	0	112.9	H54 Y56 T63 R67	H54-Y61 HydrophobicContact CB-CE2 4.33Å; Y56-Y61 AromaticContact CD1-CD2 3.63Å; Y56-Y61 HydrophobicContact CD1-CD2 3.63Å; Y56-Y61 HydrophobicContact CD1-CE2 4.11Å; Y56-Y61 HydrophobicContact CD2-CD2 4.07Å; Y56-Y61 AromaticContact CE1-CD2 3.78Å; Y56-Y61 HydrophobicContact CE1-CD2 3.78Å; Y56-Y61 HydrophobicContact CE1-CE2 4.18Å; Y56-Y61 HydrophobicContact CE2-CD2 4.23Å; Y56-Y61 AromaticContact CG-CD2 3.78Å; Y56-Y61 HydrophobicContact CG-CD2 3.78Å; Y61-T63 VanDerWaalsContact C-N 3.26Å; Y61-T63 PolarHBondContact O-N 3.28Å; Y61-R67 WeakPolarHBondContact O-CD 3.38Å; Y61-R67 PolarHBondContact O-NH1 3.26Å
62	D	94.6	Very high	93.1	Very high	143 Å²	143	60.1 Å²	60.1	77%	0.765	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-15.2	-178.2	-59.4	-44.9	0	0	0	112.9	H60 P64	H60-D62 VanDerWaalsContact C-N 3.3Å; H60-D62 PolarHBondContact O-N 2.92Å; D62-P64 WeakPolarHBondContact O-CD 3.49Å
63	T	96.6	Very high	93.1	Very high	52 Å²	52	56.6 Å²	56.6	32%	0.319	33%	0.327	S	S	.	.			trans	-88.7	112	-179.3	-56	0	0	0	0	109.9	H60 Y61 S65 C66 R67	H60-T63 PolarHBondContact O-N 3.44Å; Y61-T63 VanDerWaalsContact C-N 3.26Å; Y61-T63 PolarHBondContact O-N 3.28Å; T63-S65 VanDerWaalsContact C-N 3.27Å; T63-S65 WeakPolarHBondContact CG2-OG 3.28Å; T63-S65 PolarHBondContact O-N 3.19Å; T63-C66 HydrophobicContact CG2-CB 4.28Å; T63-C66 PolarHBondContact O-N 2.96Å; T63-R67 PolarHBondContact O-N 2.79Å
64	P	95.5	Very high	93.2	Very high	99 Å²	99	61.3 Å²	61.3	64%	0.643	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-66.1	-25.9	-174	25.9	-34.7	0	0	0	113.6	D62 C66 R67	D62-P64 WeakPolarHBondContact O-CD 3.49Å; P64-C66 PolarHBondContact O-N 3.44Å; P64-R67 PolarHBondContact O-N 2.82Å
65	S	95.5	Very high	93.2	Very high	51 Å²	51	62.4 Å²	62.4	36%	0.357	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-72.6	-16.4	173.7	57	0	0	0	0	113.5	T63 Q84	T63-S65 VanDerWaalsContact C-N 3.27Å; T63-S65 WeakPolarHBondContact CG2-OG 3.28Å; T63-S65 PolarHBondContact O-N 3.19Å; S65-Q84 VanDerWaalsContact CB-OE1 3.29Å; S65-Q84 PolarHBondContact OG-OE1 3.31Å
66	C	97.3	Very high	93.1	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.007	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-106.4	10.6	179.7	-54.3	0	0	0	0	112.3	Y56 V57 H60 T63 P64 L78 C85	Y56-C66 CarbonylContact C-O 3.59Å; Y56-C66 WeakPolarHBondContact CA-O 3.35Å; Y56-C66 WeakPolarHBondContact CB-O 3.14Å; V57-C66 HydrophobicContact CB-CB 4.32Å; V57-C66 HydrophobicContact CG2-CB 4.35Å; V57-C66 PolarHBondContact N-O 2.82Å; H60-C66 HydrophobicContact CB-CB 3.61Å; T63-C66 HydrophobicContact CG2-CB 4.28Å; T63-C66 PolarHBondContact O-N 2.96Å; P64-C66 PolarHBondContact O-N 3.44Å; C66-L78 WeakPolarHBondContact O-CD2 3.44Å; C66-C85 VanDerWaalsContact CA-SG 3.52Å; C66-C85 HydrophobicContact CB-CB 3.91Å; C66-C85 WeakPolarHBondContact CB-SG 3.47Å; C66-C85 WeakPolarHBondContact SG-CA 3.11Å; C66-C85 WeakPolarHBondContact SG-CB 3.48Å; C66-C85 CovalentContact SG-SG 2.03Å; C66-C85 PolarHBondContact SG-SG 3.24Å
67	R	96	Very high	92.9	Very high	70 Å²	70	62.3 Å²	62.3	26%	0.264	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	142	-178.4	-179.6	179.7	72.8	-161.5	3.9	110.9	V55 Y61 T63 P64	V55-R67 CarbonylContact O-C 3.55Å; V55-R67 WeakPolarHBondContact O-CA 3.43Å; Y61-R67 WeakPolarHBondContact O-CD 3.38Å; Y61-R67 PolarHBondContact O-NH1 3.26Å; T63-R67 PolarHBondContact O-N 2.79Å; P64-R67 PolarHBondContact O-N 2.82Å
68	S	95.2	Very high	92.9	Very high	41 Å²	41	62.6 Å²	62.6	29%	0.287	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.6	171.2	-176.1	0	0	0	0	109	H54 V55 G77	H54-S68 WeakPolarHBondContact CA-O 3.38Å; V55-S68 PolarHBondContact N-O 3.43Å; V55-S68 PolarHBondContact O-N 2.81Å; S68-G77 WeakPolarHBondContact CB-O 3.49Å; S68-G77 PolarHBondContact OG-O 3.46Å
69	N	90.8	Very high	93	Very high	89 Å²	89	60.3 Å²	60.3	48%	0.476	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	166.5	-179.8	-67.7	-20.1	0	0	0	110.7	H54 S71	H54-N69 PolarHBondContact CE1-OD1 3.32Å; H54-N69 PolarHBondContact ND1-OD1 2.92Å; N69-S71 PolarHBondContact O-N 2.95Å
70	A	84.6	Confident	93.1	Very high	38 Å²	38	56.8 Å²	56.8	31%	0.314	32%	0.324	S	S	.	.			trans	-42	129.1	174.9	0	0	0	0	0	113.4	F51 G53	F51-A70 WeakPolarHBondContact O-CB 3.33Å; G53-A70 PolarHBondContact O-N 2.81Å
71	S	82	Confident	93.1	Very high	71 Å²	71	56.7 Å²	56.7	50%	0.497	33%	0.329	S	S	.	.			trans	-103	2.1	175.8	-178.4	0	0	0	0	112.7	N69 N73	N69-S71 PolarHBondContact O-N 2.95Å; S71-N73 VanDerWaalsContact CB-OD1 3.31Å; S71-N73 WeakPolarHBondContact CB-OD1 3.41Å; S71-N73 PolarHBondContact O-N 2.79Å; S71-N73 VanDerWaalsContact O-N 3.07Å; S71-N73 PolarHBondContact OG-ND2 3.5Å
72	N	85.9	Confident	93.1	Very high	126 Å²	126	53.5 Å²	53.5	67%	0.674	32%	0.316	S	S	*	.	S	Bend	trans	52.2	27.7	-177.3	-63.5	-34.8	0	0	0	114.1	F51	F51-N72 PolarHBondContact O-N 3Å
73	N	92.3	Very high	93	Very high	50 Å²	50	51.5 Å²	51.5	27%	0.267	31%	0.314	S	S	.	.	S	Bend	trans	-123.2	172.5	177.7	61	4.8	0	0	0	109.1	P50 F51 S71 T75	P50-N73 CarbonylContact C-O 3.48Å; P50-N73 WeakPolarHBondContact CA-O 3.48Å; F51-N73 PolarHBondContact N-O 3.35Å; S71-N73 VanDerWaalsContact CB-OD1 3.31Å; S71-N73 WeakPolarHBondContact CB-OD1 3.41Å; S71-N73 PolarHBondContact O-N 2.79Å; S71-N73 VanDerWaalsContact O-N 3.07Å; S71-N73 PolarHBondContact OG-ND2 3.5Å; N73-T75 VanDerWaalsContact CG-OG1 3.26Å; N73-T75 PolarHBondContact ND2-O 2.8Å; N73-T75 PolarHBondContact ND2-OG1 2.9Å; N73-T75 PolarHBondContact O-N 2.81Å; N73-T75 VanDerWaalsContact OD1-C 3.32Å; N73-T75 PolarHBondContact OD1-N 2.93Å; N73-T75 PolarHBondContact OD1-O 3.16Å
74	H	93.7	Very high	92.9	Very high	102 Å²	102	53.5 Å²	53.5	47%	0.472	32%	0.319	S	S	.	.	S	Bend	trans	-77.8	19.8	175.1	-60.9	90.9	0	0	0	112.7	T47 K48 P50	T47-H74 PolarHBondContact N-O 2.69Å; T47-H74 VanDerWaalsContact OG1-C 3.31Å; T47-H74 WeakPolarHBondContact OG1-CA 3.24Å; T47-H74 PolarHBondContact OG1-O 3.07Å; K48-H74 PolarHBondContact O-CD2 3.33Å; P50-H74 WeakPolarHBondContact CD-NE2 3.48Å
75	T	92.9	Very high	92.9	Very high	46 Å²	46	49.1 Å²	49.1	28%	0.282	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	109.6	-175.1	57.2	0	0	0	0	112.6	F45 N73	F45-T75 CarbonylContact O-C 3.6Å; F45-T75 VanDerWaalsContact O-CA 3.25Å; F45-T75 WeakPolarHBondContact O-CA 3.37Å; N73-T75 VanDerWaalsContact CG-OG1 3.26Å; N73-T75 PolarHBondContact ND2-O 2.8Å; N73-T75 PolarHBondContact ND2-OG1 2.9Å; N73-T75 PolarHBondContact O-N 2.81Å; N73-T75 VanDerWaalsContact OD1-C 3.32Å; N73-T75 PolarHBondContact OD1-N 2.93Å; N73-T75 PolarHBondContact OD1-O 3.16Å
76	A	93.2	Very high	92.9	Very high	3 Å²	3	51.5 Å²	51.5	3%	0.025	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	150.2	171.2	0	0	0	0	0	109.8	K44 F45 F51 V55	K44-A76 CarbonylContact C-O 3.55Å; K44-A76 WeakPolarHBondContact CA-O 3.39Å; F45-A76 HydrophobicContact CB-CB 4.32Å; F45-A76 PolarHBondContact N-O 2.69Å; F45-A76 PolarHBondContact O-N 3.4Å; F51-A76 HydrophobicContact CB-CB 4.3Å; F51-A76 HydrophobicContact CD1-CB 3.48Å; F51-A76 VanDerWaalsContact CD1-CB 3.48Å; F51-A76 HydrophobicContact CD2-CB 4.04Å; F51-A76 HydrophobicContact CE1-CB 3.7Å; F51-A76 HydrophobicContact CE2-CB 4.22Å; F51-A76 HydrophobicContact CG-CB 3.66Å; F51-A76 HydrophobicContact CZ-CB 4.06Å; V55-A76 HydrophobicContact CG2-CB 3.65Å
77	G	93.1	Very high	92.8	Very high	25 Å²	25	52.1 Å²	52.1	26%	0.258	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	162.3	176.8	0	0	0	0	0	113.7	V43 S68	V43-G77 CarbonylContact O-C 3.55Å; V43-G77 WeakPolarHBondContact O-CA 3.48Å; S68-G77 WeakPolarHBondContact CB-O 3.49Å; S68-G77 PolarHBondContact OG-O 3.46Å
78	L	95.5	Very high	92.7	Very high	10 Å²	10	56.5 Å²	56.5	5%	0.052	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	137.6	-178.8	179.4	64.8	0	0	0	110.1	V43 V55 V57 C66 I80	V43-L78 PolarHBondContact N-O 2.75Å; V43-L78 PolarHBondContact O-N 2.85Å; V55-L78 HydrophobicContact CB-CB 4.41Å; V55-L78 HydrophobicContact CG1-CB 3.77Å; V55-L78 HydrophobicContact CG1-CD2 4.33Å; V57-L78 HydrophobicContact CG2-CD2 3.93Å; C66-L78 WeakPolarHBondContact O-CD2 3.44Å; L78-I80 HydrophobicContact CD2-CD1 4.09Å; L78-I80 HydrophobicContact CD2-CG1 3.77Å; L78-I80 HydrophobicContact CG-CD1 4.46Å; L78-I80 HydrophobicContact CG-CG1 3.79Å
79	T	95.5	Very high	92.6	Very high	65 Å²	65	62.2 Å²	62.2	40%	0.399	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	124.7	170	-59.8	0	0	0	0	108.6	M40 H42	M40-T79 HydrophobicContact CB-CG2 4.09Å; M40-T79 HydrophobicContact CG-CG2 4.04Å; M40-T79 HydrophobicContact SD-CG2 3.45Å; M40-T79 WeakPolarHBondContact SD-CG2 3.5Å; H42-T79 VanDerWaalsContact CE1-CG2 3.45Å; H42-T79 WeakPolarHBondContact CE1-CG2 3.24Å; H42-T79 PolarHBondContact CE1-OG1 3.03Å; H42-T79 PolarHBondContact ND1-OG1 2.76Å
80	I	95.8	Very high	92.6	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	108.9	-174	-53.1	167	0	0	0	108.4	M40 M41 V43 V57 L78 C85 V87 A102 V104	M40-I80 CarbonylContact C-O 3.55Å; M40-I80 WeakPolarHBondContact CA-O 3.49Å; M40-I80 WeakPolarHBondContact CB-O 3.39Å; M41-I80 HydrophobicContact CG-CB 3.85Å; M41-I80 HydrophobicContact CG-CD1 4.27Å; M41-I80 HydrophobicContact CG-CG1 4.48Å; M41-I80 PolarHBondContact N-O 3.07Å; M41-I80 PolarHBondContact O-N 3.2Å; M41-I80 HydrophobicContact SD-CD1 4.3Å; V43-I80 HydrophobicContact CG2-CD1 4.05Å; V57-I80 HydrophobicContact CG2-CD1 3.79Å; V57-I80 HydrophobicContact CG2-CG1 3.92Å; V57-I80 HydrophobicContact CG2-CG2 4.06Å; L78-I80 HydrophobicContact CD2-CD1 4.09Å; L78-I80 HydrophobicContact CD2-CG1 3.77Å; L78-I80 HydrophobicContact CG-CD1 4.46Å; L78-I80 HydrophobicContact CG-CG1 3.79Å; I80-C85 HydrophobicContact CG2-CB 3.99Å; I80-V87 HydrophobicContact CG2-CG2 3.67Å; I80-A102 HydrophobicContact CD1-CB 4.28Å; I80-V104 HydrophobicContact CD1-CG2 3.52Å
81	A	95.5	Very high	92.9	Very high	28 Å²	28	72.3 Å²	72.3	23%	0.231	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	133.7	174.2	0	0	0	0	0	111.1	D39 S83 Q84	D39-A81 CarbonylContact O-C 3.57Å; D39-A81 WeakPolarHBondContact O-CA 3.44Å; A81-S83 PolarHBondContact O-N 3.48Å; A81-Q84 CarbonylContact O-C 3.33Å; A81-Q84 PolarHBondContact O-N 3.34Å; A81-Q84 VanDerWaalsContact O-O 3.09Å
82	Y	93.4	Very high	93	Very high	13 Å²	13	70.4 Å²	70.4	5%	0.051	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.9	-179.8	-56.3	-30.9	0	0	0	114.2	G37 V38 D39 M40 M41 V87 R89 L100 Y126	G37-Y82 VanDerWaalsContact O-CE2 3.3Å; G37-Y82 WeakPolarHBondContact O-CE2 3.3Å; G37-Y82 PolarHBondContact O-OH 3.07Å; G37-Y82 VanDerWaalsContact O-OH 3.06Å; V38-Y82 VanDerWaalsContact O-CD2 3.25Å; V38-Y82 WeakPolarHBondContact O-CD2 3.46Å; V38-Y82 WeakPolarHBondContact O-CE2 3.25Å; D39-Y82 WeakPolarHBondContact O-CD2 3.42Å; D39-Y82 PolarHBondContact O-N 2.82Å; M40-Y82 PolarHBondContact O-OH 2.66Å; M41-Y82 HydrophobicContact CB-CE1 3.8Å; M41-Y82 HydrophobicContact CE-CD1 4.01Å; M41-Y82 HydrophobicContact CE-CE1 3.44Å; M41-Y82 VanDerWaalsContact CE-CE1 3.44Å; M41-Y82 HydrophobicContact CG-CE1 3.93Å; Y82-V87 HydrophobicContact CD1-CG1 4.23Å; Y82-R89 PolarHBondContact O-NH2 2.96Å; Y82-L100 HydrophobicContact CD1-CD1 3.82Å; Y82-L100 HydrophobicContact CD2-CD1 3.49Å; Y82-L100 VanDerWaalsContact CD2-CD1 3.49Å; Y82-L100 HydrophobicContact CE1-CD1 3.77Å; Y82-L100 HydrophobicContact CE2-CD1 3.42Å; Y82-L100 VanDerWaalsContact CE2-CD1 3.42Å; Y82-L100 HydrophobicContact CG-CD1 3.69Å; Y82-Y126 PolarHBondContact OH-OH 2.79Å
83	S	93.5	Very high	93	Very high	102 Å²	102	70.2 Å²	70.2	71%	0.713	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-11.6	174.2	55.6	0	0	0	0	112.8	A81	A81-S83 PolarHBondContact O-N 3.48Å
84	Q	94.7	Very high	92.5	Very high	94 Å²	94	73 Å²	73	44%	0.439	38%	0.376	S	S	.	.	S	Bend	trans	-129.9	-176.3	-174.7	-59.7	-174.9	1.3	0	0	110.5	S65 A81 D86 V87	S65-Q84 VanDerWaalsContact CB-OE1 3.29Å; S65-Q84 PolarHBondContact OG-OE1 3.31Å; A81-Q84 CarbonylContact O-C 3.33Å; A81-Q84 PolarHBondContact O-N 3.34Å; A81-Q84 VanDerWaalsContact O-O 3.09Å; Q84-D86 PolarHBondContact O-N 3.43Å; Q84-D86 VanDerWaalsContact O-N 3.08Å; Q84-V87 WeakPolarHBondContact O-CG2 3.38Å; Q84-V87 PolarHBondContact O-N 2.89Å
85	C	95.6	Very high	92	Very high	7 Å²	7	70.9 Å²	70.9	5%	0.047	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	23.8	173.5	-42.7	0	0	0	0	115.7	V57 C66 I80 V87	V57-C85 HydrophobicContact CB-CB 4.12Å; V57-C85 HydrophobicContact CG1-CB 4.14Å; V57-C85 HydrophobicContact CG2-CB 3.93Å; C66-C85 VanDerWaalsContact CA-SG 3.52Å; C66-C85 HydrophobicContact CB-CB 3.91Å; C66-C85 WeakPolarHBondContact CB-SG 3.47Å; C66-C85 WeakPolarHBondContact SG-CA 3.11Å; C66-C85 WeakPolarHBondContact SG-CB 3.48Å; C66-C85 CovalentContact SG-SG 2.03Å; C66-C85 PolarHBondContact SG-SG 3.24Å; I80-C85 HydrophobicContact CG2-CB 3.99Å; C85-V87 PolarHBondContact O-N 3.41Å; C85-V87 VanDerWaalsContact O-N 3.12Å
86	D	94.5	Very high	91.6	Very high	100 Å²	100	71.4 Å²	71.4	54%	0.535	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.8	39.7	-174.8	-68.9	-17.8	0	0	0	115	H60 Q84 R88	H60-D86 VanDerWaalsContact CE1-CB 3.48Å; H60-D86 WeakPolarHBondContact CE1-CB 3.32Å; H60-D86 VanDerWaalsContact CE1-CG 3.41Å; H60-D86 IonicContact CE1-OD2 2.69Å; H60-D86 PolarHBondContact CE1-OD2 2.98Å; H60-D86 VanDerWaalsContact CE1-OD2 3.31Å; H60-D86 IonicContact NE2-OD1 2.66Å; H60-D86 IonicContact NE2-OD2 2.88Å; Q84-D86 PolarHBondContact O-N 3.43Å; Q84-D86 VanDerWaalsContact O-N 3.08Å; D86-R88 PolarHBondContact O-N 3.11Å; D86-R88 VanDerWaalsContact O-N 3.09Å; D86-R88 PolarHBondContact O-NE 2.95Å; D86-R88 IonicContact OD2-NH2 3.74Å
87	V	94.9	Very high	91.2	Very high	14 Å²	14	71.6 Å²	71.6	9%	0.085	38%	0.379	C	S	.	.			trans	-54.6	120.4	176.4	177.2	0	0	0	0	109.7	M41 I80 Y82 Q84 C85 L100 A102	M41-V87 HydrophobicContact CE-CG1 4.21Å; I80-V87 HydrophobicContact CG2-CG2 3.67Å; Y82-V87 HydrophobicContact CD1-CG1 4.23Å; Q84-V87 WeakPolarHBondContact O-CG2 3.38Å; Q84-V87 PolarHBondContact O-N 2.89Å; C85-V87 PolarHBondContact O-N 3.41Å; C85-V87 VanDerWaalsContact O-N 3.12Å; V87-L100 HydrophobicContact CG1-CB 4.05Å; V87-A102 HydrophobicContact CG2-CB 4.42Å
88	R	94.3	Very high	90.9	Very high	163 Å²	163	72.6 Å²	72.6	62%	0.615	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	121.2	-173.6	-65.5	-69.5	151.9	143.7	-3.3	110.2	D86 L100 S101	D86-R88 PolarHBondContact O-N 3.11Å; D86-R88 VanDerWaalsContact O-N 3.09Å; D86-R88 PolarHBondContact O-NE 2.95Å; D86-R88 IonicContact OD2-NH2 3.74Å; R88-L100 CarbonylContact O-C 3.56Å; R88-L100 WeakPolarHBondContact O-CA 3.49Å; R88-S101 WeakPolarHBondContact CB-OG 3.32Å; R88-S101 PolarHBondContact N-O 2.67Å; R88-S101 PolarHBondContact O-N 2.81Å; R88-S101 PolarHBondContact O-OG 3.33Å; R88-S101 VanDerWaalsContact O-OG 3.11Å
89	R	93	Very high	90.7	Very high	160 Å²	160	74.5 Å²	74.5	60%	0.604	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	115.7	178.2	-46.5	-163.6	179.5	-176.7	-2.4	110.1	Y82 Y99 L100	Y82-R89 PolarHBondContact O-NH2 2.96Å; R89-Y99 CarbonylContact C-O 3.56Å; R89-Y99 VanDerWaalsContact CA-O 3.28Å; R89-Y99 WeakPolarHBondContact CA-O 3.2Å; R89-L100 HydrophobicContact CB-CD2 4.01Å; R89-L100 HydrophobicContact CG-CD2 3.52Å
90	Q	90.5	Very high	90.5	Very high	116 Å²	116	72 Å²	72	54%	0.542	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	119.1	179.2	-177.6	176.9	-8	0	0	110.1	V98 Y99	Q90-V98 WeakPolarHBondContact O-CA 3.25Å; Q90-Y99 PolarHBondContact N-O 3.02Å; Q90-Y99 PolarHBondContact O-N 3.38Å
91	R	90.3	Very high	90.3	Very high	223 Å²	223	72.7 Å²	72.7	84%	0.842	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	138.2	173	-63.5	-175.6	178.7	177.8	-1	109.6	G97 V98	R91-G97 WeakPolarHBondContact CA-O 3.5Å; R91-V98 HydrophobicContact CG-CG2 4.24Å
92	T	84.3	Confident	90.3	Very high	31 Å²	31	71.6 Å²	71.6	19%	0.19	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	147.2	176.2	55.6	0	0	0	0	110.2	P95 S96 G97 Y99	T92-P95 CarbonylContact C-O 3.47Å; T92-P95 WeakPolarHBondContact CB-O 3.48Å; T92-P95 PolarHBondContact OG1-O 2.86Å; T92-S96 VanDerWaalsContact O-CA 3.32Å; T92-S96 WeakPolarHBondContact O-CA 3.36Å; T92-G97 PolarHBondContact N-O 2.83Å; T92-G97 PolarHBondContact O-N 2.76Å; T92-Y99 HydrophobicContact CG2-CD2 3.56Å; T92-Y99 HydrophobicContact CG2-CE2 3.66Å
93	T	86.9	Confident	90.3	Very high	122 Å²	122	73.2 Å²	73.2	75%	0.748	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	-9	176.8	52.8	0	0	0	0	112.3
94	S	82.3	Confident	90.4	Very high	110 Å²	110	68.3 Å²	68.3	77%	0.769	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-149.8	86.9	-176.5	-54.5	0	0	0	0	109.9
95	P	82.4	Confident	90.4	Very high	57 Å²	57	64.2 Å²	64.2	37%	0.37	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	cis	-72.2	156.6	-4	28.4	-33.9	0	0	0	113.7	T92 G97 F125 M127	T92-P95 CarbonylContact C-O 3.47Å; T92-P95 WeakPolarHBondContact CB-O 3.48Å; T92-P95 PolarHBondContact OG1-O 2.86Å; P95-G97 PolarHBondContact O-N 2.9Å; P95-F125 HydrophobicContact CB-CE1 4.17Å; P95-F125 HydrophobicContact CB-CZ 3.95Å; P95-F125 HydrophobicContact CG-CE1 3.52Å; P95-F125 HydrophobicContact CG-CE2 4.36Å; P95-F125 HydrophobicContact CG-CZ 3.43Å; P95-F125 VanDerWaalsContact CG-CZ 3.43Å; P95-M127 HydrophobicContact CB-CE 4.35Å
96	S	85.2	Confident	90.3	Very high	56 Å²	56	63.9 Å²	63.9	39%	0.392	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	121.6	173.6	-67.3	0	0	0	0	110.5	T92 A128	T92-S96 VanDerWaalsContact O-CA 3.32Å; T92-S96 WeakPolarHBondContact O-CA 3.36Å; S96-A128 VanDerWaalsContact CB-O 3.26Å; S96-A128 WeakPolarHBondContact CB-O 3.29Å; S96-A128 PolarHBondContact O-N 2.9Å
97	G	84.6	Confident	90.2	Very high	7 Å²	7	59.4 Å²	59.4	7%	0.072	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.9	-166.3	-179.4	0	0	0	0	0	113.6	R91 T92 P95 Y126	R91-G97 WeakPolarHBondContact CA-O 3.5Å; T92-G97 PolarHBondContact N-O 2.83Å; T92-G97 PolarHBondContact O-N 2.76Å; P95-G97 PolarHBondContact O-N 2.9Å; G97-Y126 CarbonylContact C-O 3.5Å; G97-Y126 WeakPolarHBondContact CA-O 3.3Å
98	V	87	Confident	90	Very high	47 Å²	47	59.1 Å²	59.1	29%	0.285	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	126.4	-179.6	-173.4	0	0	0	0	109.6	Q90 R91 L100 Y126	Q90-V98 WeakPolarHBondContact O-CA 3.25Å; R91-V98 HydrophobicContact CG-CG2 4.24Å; V98-L100 HydrophobicContact CG1-CD2 4.19Å; V98-Y126 PolarHBondContact N-O 2.9Å; V98-Y126 PolarHBondContact O-N 2.01Å
99	Y	90	Very high	89.7	Confident	49 Å²	49	53.2 Å²	53.2	19%	0.192	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	128.7	166.5	-75.4	-85.5	0	0	0	110.2	R89 Q90 T92 K123 C124 F125 T197	R89-Y99 CarbonylContact C-O 3.56Å; R89-Y99 VanDerWaalsContact CA-O 3.28Å; R89-Y99 WeakPolarHBondContact CA-O 3.2Å; Q90-Y99 PolarHBondContact N-O 3.02Å; Q90-Y99 PolarHBondContact O-N 3.38Å; T92-Y99 HydrophobicContact CG2-CD2 3.56Å; T92-Y99 HydrophobicContact CG2-CE2 3.66Å; Y99-K123 HydrophobicContact CD1-CB 4.29Å; Y99-K123 HydrophobicContact CD1-CD 4.3Å; Y99-C124 CarbonylContact C-O 3.52Å; Y99-C124 VanDerWaalsContact CA-O 3.26Å; Y99-C124 WeakPolarHBondContact CA-O 3.32Å; Y99-F125 HydrophobicContact CD1-CB 3.81Å; Y99-F125 AromaticContact CD1-CD2 3.89Å; Y99-F125 HydrophobicContact CD1-CD2 3.89Å; Y99-F125 HydrophobicContact CD1-CG 4.2Å; Y99-F125 AromaticContact CD2-CD2 3.58Å; Y99-F125 HydrophobicContact CD2-CD2 3.58Å; Y99-F125 AromaticContact CD2-CE2 3.99Å; Y99-F125 HydrophobicContact CD2-CE2 3.99Å; Y99-F125 HydrophobicContact CE1-CB 3.53Å; Y99-F125 AromaticContact CE1-CD2 3.7Å; Y99-F125 HydrophobicContact CE1-CD2 3.7Å; Y99-F125 AromaticContact CE1-CG 3.75Å; Y99-F125 HydrophobicContact CE1-CG 3.75Å; Y99-F125 AromaticContact CE2-CD2 3.36Å; Y99-F125 HydrophobicContact CE2-CD2 3.36Å; Y99-F125 AromaticContact CE2-CE2 3.63Å; Y99-F125 HydrophobicContact CE2-CE2 3.63Å; Y99-F125 HydrophobicContact CE2-CG 4.12Å; Y99-F125 AromaticContact CG-CD2 3.84Å; Y99-F125 HydrophobicContact CG-CD2 3.84Å; Y99-F125 AromaticContact CZ-CD2 3.42Å; Y99-F125 VanDerWaalsContact CZ-CD2 3.42Å; Y99-F125 AromaticContact CZ-CG 3.69Å; Y99-T197 HydrophobicContact CE1-CG2 3.84Å
100	L	91.9	Very high	89.2	Confident	12 Å²	12	48.1 Å²	48.1	6%	0.063	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.3	163.8	-53.2	-177.9	0	0	0	107.6	M41 Y82 V87 R88 R89 V98 K123 C124 Y126	M41-L100 HydrophobicContact CE-CB 4.18Å; Y82-L100 HydrophobicContact CD1-CD1 3.82Å; Y82-L100 HydrophobicContact CD2-CD1 3.49Å; Y82-L100 VanDerWaalsContact CD2-CD1 3.49Å; Y82-L100 HydrophobicContact CE1-CD1 3.77Å; Y82-L100 HydrophobicContact CE2-CD1 3.42Å; Y82-L100 VanDerWaalsContact CE2-CD1 3.42Å; Y82-L100 HydrophobicContact CG-CD1 3.69Å; V87-L100 HydrophobicContact CG1-CB 4.05Å; R88-L100 CarbonylContact O-C 3.56Å; R88-L100 WeakPolarHBondContact O-CA 3.49Å; R89-L100 HydrophobicContact CB-CD2 4.01Å; R89-L100 HydrophobicContact CG-CD2 3.52Å; V98-L100 HydrophobicContact CG1-CD2 4.19Å; L100-K123 CarbonylContact O-C 3.59Å; L100-K123 VanDerWaalsContact O-CA 3.32Å; L100-K123 WeakPolarHBondContact O-CA 3.34Å; L100-C124 HydrophobicContact CB-CB 4.24Å; L100-C124 PolarHBondContact N-O 2.8Å; L100-C124 PolarHBondContact O-N 2.84Å; L100-Y126 HydrophobicContact CD1-CD2 4.26Å; L100-Y126 HydrophobicContact CD1-CE2 3.55Å; L100-Y126 HydrophobicContact CG-CD2 4.26Å; L100-Y126 HydrophobicContact CG-CE2 3.92Å
101	S	92	Very high	88.7	Confident	16 Å²	16	49.4 Å²	49.4	11%	0.112	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	138.5	-172.5	56.9	0	0	0	0	112.8	R88 V122	R88-S101 WeakPolarHBondContact CB-OG 3.32Å; R88-S101 PolarHBondContact N-O 2.67Å; R88-S101 PolarHBondContact O-N 2.81Å; R88-S101 PolarHBondContact O-OG 3.33Å; R88-S101 VanDerWaalsContact O-OG 3.11Å; S101-V122 VanDerWaalsContact CA-O 3.29Å; S101-V122 WeakPolarHBondContact CA-O 3.28Å
102	A	94.2	Very high	88.3	Confident	5 Å²	5	45.7 Å²	45.7	4%	0.041	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	146.3	176.5	0	0	0	0	0	109.6	M41 V57 I80 V87 V122	M41-A102 HydrophobicContact SD-CB 4.45Å; V57-A102 HydrophobicContact CG1-CB 4.5Å; I80-A102 HydrophobicContact CD1-CB 4.28Å; V87-A102 HydrophobicContact CG2-CB 4.42Å; A102-V122 HydrophobicContact CB-CG2 4.08Å; A102-V122 PolarHBondContact N-O 3.33Å; A102-V122 VanDerWaalsContact O-CG2 3.25Å; A102-V122 WeakPolarHBondContact O-CG2 3.06Å; A102-V122 PolarHBondContact O-N 2.84Å
103	I	95.1	Very high	88.2	Confident	46 Å²	46	48.4 Å²	48.4	24%	0.236	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	113.5	173.4	-60.4	171.6	0	0	0	107.7	V57 K58 A119 Y120 T193	V57-I103 CarbonylContact C-O 3.2Å; V57-I103 WeakPolarHBondContact CA-O 3.01Å; K58-I103 HydrophobicContact CB-CB 3.82Å; K58-I103 HydrophobicContact CB-CG2 3.87Å; K58-I103 HydrophobicContact CD-CB 4.21Å; K58-I103 HydrophobicContact CD-CD1 3.97Å; K58-I103 HydrophobicContact CD-CG2 3.92Å; K58-I103 PolarHBondContact N-O 2.94Å; I103-A119 HydrophobicContact CG2-CB 4.15Å; I103-Y120 CarbonylContact C-O 3.59Å; I103-Y120 VanDerWaalsContact CA-O 3.24Å; I103-Y120 WeakPolarHBondContact CA-O 2.92Å; I103-T193 HydrophobicContact CG2-CG2 4.11Å
104	V	95.3	Very high	88	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126	-179.8	-178.8	0	0	0	0	109.1	V43 F45 V55 Y56 I80 A119 Y120 V122	V43-V104 HydrophobicContact CG2-CG2 4.36Å; F45-V104 HydrophobicContact CE2-CG1 3.91Å; F45-V104 HydrophobicContact CZ-CB 4.39Å; F45-V104 HydrophobicContact CZ-CG1 3.78Å; V55-V104 HydrophobicContact CG1-CG1 3.52Å; Y56-V104 WeakPolarHBondContact O-CA 3.43Å; I80-V104 HydrophobicContact CD1-CG2 3.52Å; V104-A119 CarbonylContact O-C 3.55Å; V104-A119 VanDerWaalsContact O-CA 3.26Å; V104-A119 WeakPolarHBondContact O-CA 3.03Å; V104-Y120 PolarHBondContact N-O 2.82Å; V104-Y120 PolarHBondContact O-N 2.9Å; V104-V122 HydrophobicContact CG2-CG1 4.49Å; V104-V122 HydrophobicContact CG2-CG2 3.8Å
105	V	94.4	Very high	88	Confident	8 Å²	8	48.7 Å²	48.7	5%	0.048	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131	178.3	-172.2	0	0	0	0	108.7	V55 Y56 K58 T107 R118 A119	V55-V105 WeakPolarHBondContact CA-O 3.49Å; Y56-V105 HydrophobicContact CD2-CB 4.29Å; Y56-V105 HydrophobicContact CE1-CB 4.2Å; Y56-V105 HydrophobicContact CE1-CG1 4.23Å; Y56-V105 HydrophobicContact CE2-CB 3.82Å; Y56-V105 HydrophobicContact CE2-CG1 4.28Å; Y56-V105 HydrophobicContact CE2-CG2 4.11Å; Y56-V105 PolarHBondContact N-O 3.44Å; Y56-V105 PolarHBondContact O-N 2.91Å; K58-V105 HydrophobicContact CB-CG2 4.23Å; V105-T107 HydrophobicContact CG1-CG2 3.95Å; V105-R118 CarbonylContact C-O 3.5Å; V105-R118 WeakPolarHBondContact CA-O 3.03Å; V105-A119 HydrophobicContact CG2-CB 4.11Å
106	V	93.6	Very high	88	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	118.4	175.5	-178.2	0	0	0	0	107.7	I28 F45 F51 V55 F108 D117 R118	I28-V106 HydrophobicContact CD1-CB 3.94Å; I28-V106 HydrophobicContact CD1-CG1 4.01Å; I28-V106 HydrophobicContact CD1-CG2 4.01Å; F45-V106 HydrophobicContact CD1-CG2 3.95Å; F45-V106 HydrophobicContact CD2-CG2 3.89Å; F45-V106 HydrophobicContact CE1-CG2 3.74Å; F45-V106 HydrophobicContact CE2-CG2 3.67Å; F45-V106 HydrophobicContact CG-CG2 4.04Å; F45-V106 HydrophobicContact CZ-CG2 3.59Å; F51-V106 HydrophobicContact CE2-CG1 3.76Å; F51-V106 HydrophobicContact CZ-CG1 4.16Å; V55-V106 HydrophobicContact CG1-CG2 4.31Å; V55-V106 HydrophobicContact CG2-CG1 4.35Å; V55-V106 HydrophobicContact CG2-CG2 4.29Å; V106-F108 HydrophobicContact CG1-CE2 4.33Å; V106-F108 HydrophobicContact CG1-CZ 4.41Å; V106-D117 WeakPolarHBondContact O-CA 3.36Å; V106-D117 VanDerWaalsContact O-CB 3.3Å; V106-D117 WeakPolarHBondContact O-CB 3.32Å; V106-R118 PolarHBondContact N-O 2.95Å; V106-R118 PolarHBondContact O-N 3.06Å; V106-R118 VanDerWaalsContact O-N 3.11Å
107	T	91.6	Very high	88.2	Confident	5 Å²	5	46.5 Å²	46.5	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134.8	179.3	66.1	0	0	0	0	110.9	F51 G53 H54 Y56 V105 V113 D117	F51-T107 WeakPolarHBondContact CZ-O 3.31Å; G53-T107 CarbonylContact C-O 3.59Å; G53-T107 VanDerWaalsContact CA-O 3.28Å; G53-T107 WeakPolarHBondContact CA-O 3.38Å; H54-T107 PolarHBondContact N-O 2.83Å; H54-T107 PolarHBondContact N-OG1 2.81Å; H54-T107 PolarHBondContact O-N 3.28Å; H54-T107 PolarHBondContact O-OG1 3.09Å; Y56-T107 HydrophobicContact CE1-CG2 3.57Å; V105-T107 HydrophobicContact CG1-CG2 3.95Å; T107-V113 HydrophobicContact CG2-CG2 4.21Å; T107-D117 VanDerWaalsContact CA-CG 3.42Å; T107-D117 WeakPolarHBondContact CA-OD1 3.26Å; T107-D117 WeakPolarHBondContact CA-OD2 3.39Å; T107-D117 VanDerWaalsContact CB-OD2 3.24Å; T107-D117 WeakPolarHBondContact CB-OD2 3.15Å; T107-D117 HydrophobicContact CG2-CB 4.36Å; T107-D117 VanDerWaalsContact CG2-OD2 3.23Å; T107-D117 WeakPolarHBondContact CG2-OD2 3.26Å
108	F	91	Very high	88.5	Confident	8 Å²	8	49.6 Å²	49.6	4%	0.035	25%	0.254	C	S	.	.	S	Bend	trans	-96.7	13.9	-177.7	-69.2	-86.4	0	0	0	114	I24 N26 I28 T47 F51 E52 V106 V116 D117	I24-F108 HydrophobicContact CD1-CB 4.26Å; I24-F108 WeakPolarHBondContact CD1-O 3.18Å; I24-F108 HydrophobicContact CG2-CB 3.92Å; N26-F108 HydrophobicContact CB-CD1 3.78Å; N26-F108 HydrophobicContact CB-CE1 3.84Å; I28-F108 HydrophobicContact CG1-CE2 4.23Å; I28-F108 HydrophobicContact CG1-CZ 3.84Å; T47-F108 HydrophobicContact CG2-CE1 4.12Å; T47-F108 HydrophobicContact CG2-CZ 4.43Å; F51-F108 AromaticContact CD2-CD1 3.97Å; F51-F108 HydrophobicContact CD2-CD1 3.97Å; F51-F108 AromaticContact CD2-CE1 3.9Å; F51-F108 HydrophobicContact CD2-CE1 3.9Å; F51-F108 HydrophobicContact CE2-CD1 4.06Å; F51-F108 HydrophobicContact CE2-CE1 4.16Å; E52-F108 CarbonylContact O-C 3.51Å; E52-F108 WeakPolarHBondContact O-CA 3.5Å; V106-F108 HydrophobicContact CG1-CE2 4.33Å; V106-F108 HydrophobicContact CG1-CZ 4.41Å; F108-V116 HydrophobicContact CB-CG2 4.16Å; F108-V116 HydrophobicContact CD2-CG2 3.91Å; F108-V116 HydrophobicContact CG-CG2 4.31Å; F108-D117 PolarHBondContact N-OD1 2.72Å
109	H	87.3	Confident	88.8	Confident	39 Å²	39	47.6 Å²	47.6	18%	0.181	24%	0.243	C	C	.	.	S	Bend	trans	-137	143.6	177.4	-170.7	-89.6	0	0	0	110.4	I24 M111 F112 T114	I24-H109 HydrophobicContact CD1-CB 4.06Å; H109-M111 PolarHBondContact ND1-N 3.08Å; H109-M111 VanDerWaalsContact ND1-N 3.17Å; H109-M111 PolarHBondContact O-N 3.4Å; H109-F112 WeakPolarHBondContact CB-O 3.45Å; H109-F112 AromaticContact CE1-CD2 3.54Å; H109-F112 AromaticContact ND1-CD2 3.71Å; H109-F112 PolarHBondContact ND1-N 2.03Å; H109-T114 HydrophobicContact CB-CG2 3.51Å
110	P	82.7	Confident	89	Confident	53 Å²	53	45.3 Å²	45.3	34%	0.344	23%	0.234	S	C	.	.	S	Bend	trans	-70	-26.7	-175.5	24.1	-34.9	0	0	0	114.6	H54	H54-P110 WeakPolarHBondContact NE2-CA 3.28Å; H54-P110 PolarHBondContact NE2-O 3.12Å
111	M	81.2	Confident	89.1	Confident	144 Å²	144	46.3 Å²	46.3	71%	0.709	24%	0.239	S	C	*	.	S	Bend	trans	-116.1	-18.2	-171.6	-65.4	-62.7	-61.6	0	0	115	H109	H109-M111 PolarHBondContact ND1-N 3.08Å; H109-M111 VanDerWaalsContact ND1-N 3.17Å; H109-M111 PolarHBondContact O-N 3.4Å
112	F	80.4	Confident	89.2	Confident	144 Å²	144	45.6 Å²	45.6	63%	0.632	23%	0.234	S	C	*	.	S	Bend	trans	-141.7	149.9	-167.7	-59.3	-63	0	0	0	110.7	H109	H109-F112 WeakPolarHBondContact CB-O 3.45Å; H109-F112 AromaticContact CE1-CD2 3.54Å; H109-F112 AromaticContact ND1-CD2 3.71Å; H109-F112 PolarHBondContact ND1-N 2.03Å
113	V	83.4	Confident	89.1	Confident	89 Å²	89	47.5 Å²	47.5	54%	0.539	24%	0.241	S	C	.	.			trans	-80.1	126.5	167.2	179.4	0	0	0	0	108.1	T107 D117	T107-V113 HydrophobicContact CG2-CG2 4.21Å; V113-D117 WeakPolarHBondContact CA-OD2 3.47Å; V113-D117 HydrophobicContact CG1-CB 4.11Å; V113-D117 VanDerWaalsContact CG1-OD2 3.31Å; V113-D117 WeakPolarHBondContact CG1-OD2 3.03Å
114	T	83.6	Confident	88.9	Confident	36 Å²	36	45.3 Å²	45.3	22%	0.221	23%	0.23	C	C	.	.			trans	-107.3	169.8	-176	78.2	0	0	0	0	112	I24 H109 V116 D117	I24-T114 HydrophobicContact CD1-CG2 3.77Å; H109-T114 HydrophobicContact CB-CG2 3.51Å; T114-V116 PolarHBondContact O-N 3.23Å; T114-V116 WeakPolarHBondContact OG1-CG2 3.03Å; T114-D117 VanDerWaalsContact N-CG 3.29Å; T114-D117 PolarHBondContact N-OD2 3.41Å; T114-D117 WeakPolarHBondContact O-CB 3.4Å; T114-D117 PolarHBondContact O-N 3.39Å; T114-D117 PolarHBondContact OG1-OD1 2.96Å
115	M	80.9	Confident	88.6	Confident	201 Å²	201	45.4 Å²	45.4	99%	0.99	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-19.3	-179.8	-62.7	-175.2	111.4	0	0	113.8
116	V	83	Confident	88.1	Confident	55 Å²	55	45.9 Å²	45.9	33%	0.333	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-4.9	179.8	-64.4	0	0	0	0	113	I24 F108 T114	I24-V116 HydrophobicContact CB-CG2 4.39Å; F108-V116 HydrophobicContact CB-CG2 4.16Å; F108-V116 HydrophobicContact CD2-CG2 3.91Å; F108-V116 HydrophobicContact CG-CG2 4.31Å; T114-V116 PolarHBondContact O-N 3.23Å; T114-V116 WeakPolarHBondContact OG1-CG2 3.03Å
117	D	88.5	Confident	87.4	Confident	12 Å²	12	49 Å²	49	6%	0.064	25%	0.247	C	C	.	.			trans	-69.1	148.2	179.8	-63.5	-2.7	0	0	0	111.1	V106 T107 F108 V113 T114 L191	V106-D117 WeakPolarHBondContact O-CA 3.36Å; V106-D117 VanDerWaalsContact O-CB 3.3Å; V106-D117 WeakPolarHBondContact O-CB 3.32Å; T107-D117 VanDerWaalsContact CA-CG 3.42Å; T107-D117 WeakPolarHBondContact CA-OD1 3.26Å; T107-D117 WeakPolarHBondContact CA-OD2 3.39Å; T107-D117 VanDerWaalsContact CB-OD2 3.24Å; T107-D117 WeakPolarHBondContact CB-OD2 3.15Å; T107-D117 HydrophobicContact CG2-CB 4.36Å; T107-D117 VanDerWaalsContact CG2-OD2 3.23Å; T107-D117 WeakPolarHBondContact CG2-OD2 3.26Å; F108-D117 PolarHBondContact N-OD1 2.72Å; V113-D117 WeakPolarHBondContact CA-OD2 3.47Å; V113-D117 HydrophobicContact CG1-CB 4.11Å; V113-D117 VanDerWaalsContact CG1-OD2 3.31Å; V113-D117 WeakPolarHBondContact CG1-OD2 3.03Å; T114-D117 VanDerWaalsContact N-CG 3.29Å; T114-D117 PolarHBondContact N-OD2 3.41Å; T114-D117 WeakPolarHBondContact O-CB 3.4Å; T114-D117 PolarHBondContact O-N 3.39Å; T114-D117 PolarHBondContact OG1-OD1 2.96Å; D117-L191 WeakPolarHBondContact O-CD2 3.49Å
118	R	91.3	Very high	86.5	Confident	72 Å²	72	51.8 Å²	51.8	27%	0.272	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	149.5	-176.8	-66.9	-167.7	-178.1	173.5	5.1	111.9	E27 I28 V105 V106 Y120 L191	E27-R118 IonicContact OE1-CZ 3.59Å; E27-R118 IonicContact OE1-NH2 2.76Å; E27-R118 PolarHBondContact OE1-NH2 2.81Å; I28-R118 HydrophobicContact CD1-CB 4.01Å; I28-R118 HydrophobicContact CD1-CG 4.41Å; V105-R118 CarbonylContact C-O 3.5Å; V105-R118 WeakPolarHBondContact CA-O 3.03Å; V106-R118 PolarHBondContact N-O 2.95Å; V106-R118 PolarHBondContact O-N 3.06Å; V106-R118 VanDerWaalsContact O-N 3.11Å; R118-Y120 HydrophobicContact CB-CD2 4.34Å; R118-Y120 HydrophobicContact CB-CE2 3.54Å; R118-Y120 WeakPolarHBondContact CD-OH 3.45Å; R118-L191 VanDerWaalsContact CA-CD2 3.49Å
119	A	93.7	Very high	85.4	Confident	6 Å²	6	54.4 Å²	54.4	5%	0.05	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135.1	172.1	0	0	0	0	0	110.3	I103 V104 V105 L191 T193 E194	I103-A119 HydrophobicContact CG2-CB 4.15Å; V104-A119 CarbonylContact O-C 3.55Å; V104-A119 VanDerWaalsContact O-CA 3.26Å; V104-A119 WeakPolarHBondContact O-CA 3.03Å; V105-A119 HydrophobicContact CG2-CB 4.11Å; A119-L191 HydrophobicContact CB-CB 3.44Å; A119-L191 VanDerWaalsContact CB-CB 3.44Å; A119-L191 HydrophobicContact CB-CD2 3.85Å; A119-L191 HydrophobicContact CB-CG 4.14Å; A119-L191 VanDerWaalsContact N-CD2 3.33Å; A119-T193 WeakPolarHBondContact O-CA 3.07Å; A119-E194 PolarHBondContact O-N 3.3Å
120	Y	94.1	Very high	84.2	Confident	1 Å²	1	60.4 Å²	60.4	0%	0.004	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	138.6	-177	-66.1	-90.2	0	0	0	110.6	I28 P32 F45 I103 V104 R118 V122 E194 I196	I28-Y120 HydrophobicContact CD1-CE2 3.55Å; P32-Y120 HydrophobicContact CG-CD1 3.93Å; P32-Y120 HydrophobicContact CG-CE1 4.13Å; P32-Y120 HydrophobicContact CG-CG 4.28Å; F45-Y120 HydrophobicContact CD1-CD2 4.48Å; F45-Y120 HydrophobicContact CD1-CE2 4.26Å; F45-Y120 AromaticContact CE1-CD2 3.52Å; F45-Y120 HydrophobicContact CE1-CD2 3.52Å; F45-Y120 AromaticContact CE1-CE2 3.71Å; F45-Y120 HydrophobicContact CE1-CE2 3.71Å; F45-Y120 HydrophobicContact CE1-CG 4.14Å; F45-Y120 HydrophobicContact CZ-CD2 4.16Å; I103-Y120 CarbonylContact C-O 3.59Å; I103-Y120 VanDerWaalsContact CA-O 3.24Å; I103-Y120 WeakPolarHBondContact CA-O 2.92Å; V104-Y120 PolarHBondContact N-O 2.82Å; V104-Y120 PolarHBondContact O-N 2.9Å; R118-Y120 HydrophobicContact CB-CD2 4.34Å; R118-Y120 HydrophobicContact CB-CE2 3.54Å; R118-Y120 WeakPolarHBondContact CD-OH 3.45Å; Y120-V122 PolarHBondContact O-N 3.47Å; Y120-E194 HydrophobicContact CD1-CB 3.85Å; Y120-E194 HydrophobicContact CE1-CB 4.07Å; Y120-E194 WeakPolarHBondContact CE1-OE2 3.34Å; Y120-I196 HydrophobicContact CD1-CD1 3.78Å; Y120-I196 HydrophobicContact CE1-CD1 4.28Å
121	N	94.1	Very high	83.2	Confident	33 Å²	33	63.2 Å²	63.2	18%	0.176	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	85.9	176.7	-171.7	-12.9	0	0	0	105.4	K123 T193 E194 L195 I196	N121-K123 WeakPolarHBondContact OD1-CE 3.25Å; N121-T193 HydrophobicContact CB-CG2 3.41Å; N121-T193 VanDerWaalsContact CB-CG2 3.41Å; N121-E194 PolarHBondContact N-O 2.91Å; N121-L195 HydrophobicContact CB-CD2 4.18Å; N121-I196 PolarHBondContact O-N 3.21Å; N121-I196 VanDerWaalsContact O-N 3.16Å
122	V	94.3	Very high	82.2	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	131.2	179.3	-63.2	0	0	0	0	108.7	V34 M41 V43 S101 A102 V104 Y120	V34-V122 HydrophobicContact CG2-CB 4.13Å; V34-V122 HydrophobicContact CG2-CG1 3.83Å; M41-V122 HydrophobicContact SD-CG2 3.75Å; V43-V122 HydrophobicContact CG1-CG1 4.05Å; V43-V122 HydrophobicContact CG2-CB 4.43Å; V43-V122 HydrophobicContact CG2-CG1 4.2Å; V43-V122 HydrophobicContact CG2-CG2 4.08Å; S101-V122 VanDerWaalsContact CA-O 3.29Å; S101-V122 WeakPolarHBondContact CA-O 3.28Å; A102-V122 HydrophobicContact CB-CG2 4.08Å; A102-V122 PolarHBondContact N-O 3.33Å; A102-V122 VanDerWaalsContact O-CG2 3.25Å; A102-V122 WeakPolarHBondContact O-CG2 3.06Å; A102-V122 PolarHBondContact O-N 2.84Å; V104-V122 HydrophobicContact CG2-CG1 4.49Å; V104-V122 HydrophobicContact CG2-CG2 3.8Å; Y120-V122 PolarHBondContact O-N 3.47Å
123	K	91.4	Very high	80.9	Confident	45 Å²	45	57.5 Å²	57.5	20%	0.196	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	127.8	-177.4	-61.5	-169.5	175.7	179.8	0	110.8	Y99 L100 N121 L195 I196 T197 Q198	Y99-K123 HydrophobicContact CD1-CB 4.29Å; Y99-K123 HydrophobicContact CD1-CD 4.3Å; L100-K123 CarbonylContact O-C 3.59Å; L100-K123 VanDerWaalsContact O-CA 3.32Å; L100-K123 WeakPolarHBondContact O-CA 3.34Å; N121-K123 WeakPolarHBondContact OD1-CE 3.25Å; K123-L195 HydrophobicContact CD-CD2 4.24Å; K123-I196 PolarHBondContact N-O 3.12Å; K123-T197 HydrophobicContact CB-CG2 4.34Å; K123-T197 CarbonylContact O-C 3.48Å; K123-T197 VanDerWaalsContact O-CA 3.32Å; K123-T197 WeakPolarHBondContact O-CA 3.31Å; K123-Q198 PolarHBondContact O-N 2.89Å
124	C	91.3	Very high	79.9	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	129.4	164.4	-60.4	0	0	0	0	108.6	C36 Y99 L100 Y126	C36-C124 HydrophobicContact CB-CB 3.7Å; C36-C124 WeakPolarHBondContact CB-SG 3.21Å; C36-C124 WeakPolarHBondContact SG-CA 3.47Å; C36-C124 WeakPolarHBondContact SG-CB 3.47Å; C36-C124 CovalentContact SG-SG 2.01Å; C36-C124 PolarHBondContact SG-SG 2.93Å; Y99-C124 CarbonylContact C-O 3.52Å; Y99-C124 VanDerWaalsContact CA-O 3.26Å; Y99-C124 WeakPolarHBondContact CA-O 3.32Å; L100-C124 HydrophobicContact CB-CB 4.24Å; L100-C124 PolarHBondContact N-O 2.8Å; L100-C124 PolarHBondContact O-N 2.84Å; C124-Y126 HydrophobicContact CB-CD2 4.43Å; C124-Y126 HydrophobicContact CB-CE2 3.63Å
125	F	88.9	Confident	79.1	Confident	3 Å²	3	59 Å²	59	1%	0.013	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.5	173.2	-178.5	-121.8	0	0	0	111.1	P95 Y99 M127 T197 Q198 V200	P95-F125 HydrophobicContact CB-CE1 4.17Å; P95-F125 HydrophobicContact CB-CZ 3.95Å; P95-F125 HydrophobicContact CG-CE1 3.52Å; P95-F125 HydrophobicContact CG-CE2 4.36Å; P95-F125 HydrophobicContact CG-CZ 3.43Å; P95-F125 VanDerWaalsContact CG-CZ 3.43Å; Y99-F125 HydrophobicContact CD1-CB 3.81Å; Y99-F125 AromaticContact CD1-CD2 3.89Å; Y99-F125 HydrophobicContact CD1-CD2 3.89Å; Y99-F125 HydrophobicContact CD1-CG 4.2Å; Y99-F125 AromaticContact CD2-CD2 3.58Å; Y99-F125 HydrophobicContact CD2-CD2 3.58Å; Y99-F125 AromaticContact CD2-CE2 3.99Å; Y99-F125 HydrophobicContact CD2-CE2 3.99Å; Y99-F125 HydrophobicContact CE1-CB 3.53Å; Y99-F125 AromaticContact CE1-CD2 3.7Å; Y99-F125 HydrophobicContact CE1-CD2 3.7Å; Y99-F125 AromaticContact CE1-CG 3.75Å; Y99-F125 HydrophobicContact CE1-CG 3.75Å; Y99-F125 AromaticContact CE2-CD2 3.36Å; Y99-F125 HydrophobicContact CE2-CD2 3.36Å; Y99-F125 AromaticContact CE2-CE2 3.63Å; Y99-F125 HydrophobicContact CE2-CE2 3.63Å; Y99-F125 HydrophobicContact CE2-CG 4.12Å; Y99-F125 AromaticContact CG-CD2 3.84Å; Y99-F125 HydrophobicContact CG-CD2 3.84Å; Y99-F125 AromaticContact CZ-CD2 3.42Å; Y99-F125 VanDerWaalsContact CZ-CD2 3.42Å; Y99-F125 AromaticContact CZ-CG 3.69Å; F125-M127 HydrophobicContact CD1-CG 3.93Å; F125-M127 HydrophobicContact CE1-CB 4.43Å; F125-M127 HydrophobicContact CE1-CG 3.31Å; F125-M127 HydrophobicContact CE1-SD 4.29Å; F125-M127 HydrophobicContact CZ-CG 3.96Å; F125-T197 HydrophobicContact CB-CG2 4.28Å; F125-Q198 PolarHBondContact N-O 2.9Å; F125-V200 PolarHBondContact O-N 2.89Å
126	Y	83.5	Confident	78.6	Confident	18 Å²	18	55.1 Å²	55.1	7%	0.071	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	116.3	176.1	-61.2	-88.5	0	0	0	109.8	G37 Y82 G97 V98 L100 C124 V200 M240	G37-Y126 PolarHBondContact O-OH 2.99Å; Y82-Y126 PolarHBondContact OH-OH 2.79Å; G97-Y126 CarbonylContact C-O 3.5Å; G97-Y126 WeakPolarHBondContact CA-O 3.3Å; V98-Y126 PolarHBondContact N-O 2.9Å; V98-Y126 PolarHBondContact O-N 2.01Å; L100-Y126 HydrophobicContact CD1-CD2 4.26Å; L100-Y126 HydrophobicContact CD1-CE2 3.55Å; L100-Y126 HydrophobicContact CG-CD2 4.26Å; L100-Y126 HydrophobicContact CG-CE2 3.92Å; C124-Y126 HydrophobicContact CB-CD2 4.43Å; C124-Y126 HydrophobicContact CB-CE2 3.63Å; Y126-V200 HydrophobicContact CD1-CB 3.75Å; Y126-V200 HydrophobicContact CD1-CG1 3.94Å; Y126-V200 HydrophobicContact CD1-CG2 3.99Å; Y126-V200 HydrophobicContact CE1-CB 3.84Å; Y126-V200 HydrophobicContact CE1-CG1 3.83Å; Y126-V200 HydrophobicContact CE1-CG2 3.64Å; Y126-M240 HydrophobicContact CD1-CE 3.06Å; Y126-M240 HydrophobicContact CD1-SD 4.42Å; Y126-M240 HydrophobicContact CD2-CE 4.19Å; Y126-M240 HydrophobicContact CE1-CE 3.19Å; Y126-M240 HydrophobicContact CE1-SD 4Å; Y126-M240 HydrophobicContact CE2-CE 4.32Å; Y126-M240 HydrophobicContact CG-CE 3.58Å
127	M	79.6	Confident	77.8	Confident	65 Å²	65	55.4 Å²	55.4	32%	0.32	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	136.5	179.4	-66.4	-172.1	81.7	0	0	111.6	P95 F125 T129	P95-M127 HydrophobicContact CB-CE 4.35Å; F125-M127 HydrophobicContact CD1-CG 3.93Å; F125-M127 HydrophobicContact CE1-CB 4.43Å; F125-M127 HydrophobicContact CE1-CG 3.31Å; F125-M127 HydrophobicContact CE1-SD 4.29Å; F125-M127 HydrophobicContact CZ-CG 3.96Å; M127-T129 HydrophobicContact CE-CG2 4.3Å
128	A	72.7	Confident	77.3	Confident	64 Å²	64	59.4 Å²	59.4	53%	0.529	33%	0.329	S	S	.	.			trans	-112.1	82.8	170.9	0	0	0	0	0	108.2	S96	S96-A128 VanDerWaalsContact CB-O 3.26Å; S96-A128 WeakPolarHBondContact CB-O 3.29Å; S96-A128 PolarHBondContact O-N 2.9Å
129	T	68.2	Low	76.4	Confident	63 Å²	63	60.2 Å²	60.2	39%	0.387	34%	0.342	S	S	.	.			trans	-131.4	130.6	176	56.7	0	0	0	0	109.5	M127 K131 M202	M127-T129 HydrophobicContact CE-CG2 4.3Å; T129-K131 PolarHBondContact O-N 3.45Å; T129-M202 WeakPolarHBondContact O-CE 3.24Å
130	D	61.8	Low	75.1	Confident	165 Å²	165	62.1 Å²	62.1	88%	0.882	36%	0.355	S	S	*	.			trans	-69.9	120.4	175.8	-58.5	-44.6	0	0	0	110.2
131	K	60.6	Low	73.8	Confident	112 Å²	112	67 Å²	67	49%	0.487	38%	0.381	S	S	.	.			trans	-89	107.2	168	-165.8	172.8	-175.8	169.7	0	107.9	T129 V133 M202 D204	T129-K131 PolarHBondContact O-N 3.45Å; K131-V133 PolarHBondContact O-N 2.83Å; K131-M202 HydrophobicContact CB-SD 4.17Å; K131-D204 IonicContact NZ-OD1 2.66Å; K131-D204 PolarHBondContact NZ-OD1 2.94Å
132	V	60.6	Low	72	Confident	132 Å²	132	69.7 Å²	69.7	80%	0.8	40%	0.402	S	S	*	.			trans	-72	111.4	174.6	-178.6	0	0	0	0	108.5
133	V	53.1	Low	69.9	Low	36 Å²	36	73.6 Å²	73.6	22%	0.218	43%	0.434	C	S	.	.			trans	-97.7	109.5	174	-169	0	0	0	0	108.3	K131 C205 W232	K131-V133 PolarHBondContact O-N 2.83Å; V133-C205 HydrophobicContact CG2-CB 4.15Å; V133-C205 VanDerWaalsContact CG2-O 3.31Å; V133-C205 WeakPolarHBondContact CG2-O 3.45Å; V133-W232 HydrophobicContact CB-CZ3 4.24Å
134	S	62.3	Low	67.8	Low	109 Å²	109	76.6 Å²	76.6	76%	0.762	45%	0.452	S	S	*	.			trans	-96.4	132.9	178.1	60.2	0	0	0	0	111.3
135	S	66.7	Low	65.7	Low	47 Å²	47	82.3 Å²	82.3	33%	0.329	49%	0.487	S	S	.	.			trans	-109.7	136.1	161.2	71.3	0	0	0	0	109.6	L137 Y207	S135-L137 PolarHBondContact O-N 2.9Å; S135-Y207 WeakPolarHBondContact OG-CD1 3.38Å; S135-Y207 WeakPolarHBondContact OG-CE1 3.45Å
136	N	70.6	Confident	63.7	Low	120 Å²	120	87.7 Å²	87.7	64%	0.642	53%	0.525	S	S	*	.			trans	-78.4	113.1	170.4	-167.6	-17.5	0	0	0	109
137	L	67.2	Low	61.9	Low	61 Å²	61	90.6 Å²	90.6	32%	0.319	55%	0.552	S	S	.	*			trans	-124.4	116.3	173	-175.8	76	0	0	0	108.1	S135 V209 I219 K220	S135-L137 PolarHBondContact O-N 2.9Å; L137-V209 HydrophobicContact CD1-CG1 4.4Å; L137-V209 HydrophobicContact CD2-CG1 4.22Å; L137-V209 HydrophobicContact CD2-CG2 4.46Å; L137-I219 HydrophobicContact CD1-CD1 4.47Å; L137-I219 HydrophobicContact CD1-CG1 4.23Å; L137-K220 WeakPolarHBondContact CA-O 3.45Å
138	E	77.3	Confident	60.1	Low	96 Å²	96	93.4 Å²	93.4	45%	0.449	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.9	133.3	178.1	-71.7	179.8	-157.1	0	0	109.9	K220 Y221 A222	E138-K220 PolarHBondContact N-O 3.06Å; E138-Y221 HydrophobicContact CB-CD1 3.54Å; E138-Y221 HydrophobicContact CB-CE1 3.52Å; E138-Y221 HydrophobicContact CG-CE1 4.19Å; E138-Y221 WeakPolarHBondContact O-CA 3Å; E138-Y221 VanDerWaalsContact OE2-CE1 3.28Å; E138-Y221 WeakPolarHBondContact OE2-CE1 3.42Å; E138-A222 PolarHBondContact O-N 3.2Å
139	V	72.4	Confident	58.6	Low	89 Å²	89	97.9 Å²	97.9	54%	0.539	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85	122.6	177.7	179.6	0	0	0	0	109	N141 A222 V224	V139-N141 PolarHBondContact O-N 2.72Å; V139-A222 WeakPolarHBondContact CA-O 2.85Å; V139-V224 HydrophobicContact CG1-CG2 3.92Å
140	S	67.1	Low	57.2	Low	46 Å²	46	98.8 Å²	98.8	32%	0.322	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.3	108.9	170	57.4	0	0	0	0	109.1	S142 A222 T223	S140-S142 VanDerWaalsContact C-N 3.26Å; S140-S142 PolarHBondContact O-N 2.78Å; S140-A222 PolarHBondContact N-O 2.83Å; S140-A222 PolarHBondContact OG-O 3.28Å; S140-T223 VanDerWaalsContact OG-CG2 3.24Å; S140-T223 WeakPolarHBondContact OG-CG2 3Å
141	N	65.9	Low	56.3	Low	104 Å²	104	96.1 Å²	96.1	56%	0.556	60%	0.596	S	S	*	*			trans	-70.9	82.1	171.8	-79.8	10.3	0	0	0	109.3	V139 A143	V139-N141 PolarHBondContact O-N 2.72Å; N141-A143 VanDerWaalsContact C-N 3.32Å
142	S	55.5	Low	55.3	Low	89 Å²	89	99.1 Å²	99.1	62%	0.622	61%	0.612	S	S	*	*	S	Bend	trans	-83	-3.2	172	54.6	0	0	0	0	113.8	S140	S140-S142 VanDerWaalsContact C-N 3.26Å; S140-S142 PolarHBondContact O-N 2.78Å
143	A	51.1	Low	54	Low	82 Å²	82	101.1 Å²	101.1	68%	0.678	61%	0.612	S	S	*	*	S	Bend	trans	-156.3	28	-178.1	0	0	0	0	0	118	N141	N141-A143 VanDerWaalsContact C-N 3.32Å
144	L	47.5	Very low	52.9	Low	108 Å²	108	107.5 Å²	107.5	57%	0.565	64%	0.644	S	S	*	*			trans	-125.1	20	175.3	-72.1	172.3	0	0	0	115.4	S146	L144-S146 PolarHBondContact O-N 2.86Å
145	T	47.4	Very low	51.3	Low	120 Å²	120	113.6 Å²	113.6	74%	0.736	65%	0.651	S	S	*	*	S	Bend	trans	-79.4	5.9	167.5	49	0	0	0	0	113.9
146	S	46.1	Very low	49.8	Very low	116 Å²	116	119.7 Å²	119.7	81%	0.811	67%	0.674	S	S	*	*	S	Bend	trans	-122	47	-177.5	-55.2	0	0	0	0	113.1	L144	L144-S146 PolarHBondContact O-N 2.86Å
147	A	45.4	Very low	48.6	Very low	78 Å²	78	121.3 Å²	121.3	65%	0.645	69%	0.688	S	S	*	*			trans	-159.8	41.8	159.3	0	0	0	0	0	112.6	N149	A147-N149 VanDerWaalsContact C-N 3.34Å
148	V	43.1	Very low	47.1	Very low	125 Å²	125	125.4 Å²	125.4	76%	0.758	71%	0.709	S	S	*	*	S	Bend	trans	-86.8	-6.9	171.2	-176.5	0	0	0	0	112.2
149	N	41.4	Very low	44.7	Very low	158 Å²	158	128.9 Å²	128.9	85%	0.845	73%	0.725	S	S	*	*			trans	-120.2	75.8	178	-63.4	-4.2	0	0	0	110.7	A147	A147-N149 VanDerWaalsContact C-N 3.34Å
150	A	38.9	Very low	43	Very low	81 Å²	81	130.4 Å²	130.4	67%	0.669	74%	0.74	S	S	*	*	S	Bend	trans	-146	103.2	162.7	0	0	0	0	0	110
151	S	41.4	Very low	41.2	Very low	109 Å²	109	134 Å²	134	76%	0.762	76%	0.76	S	S	*	*			trans	64.2	81.5	164.9	48.7	0	0	0	0	117.7
152	Q	39.7	Very low	40.2	Very low	176 Å²	176	133.4 Å²	133.4	82%	0.822	76%	0.761	S	S	*	*				-36.2	151.8	104.2	-66.7	173.7	-38.7	0	0	114
153	H	34.5	Very low	39.1	Very low	174 Å²	174	135.5 Å²	135.5	81%	0.806	77%	0.77	S	S	*	*			trans	86.4	102	-167.9	-49.8	-74.7	0	0	0	111.1
154	L	30.1	Very low	38.2	Very low	170 Å²	170	140.9 Å²	140.9	89%	0.89	78%	0.779	S	S	*	*			cis	-155.1	136.9	43.1	-85.2	140.3	0	0	0	111.4
155	W	29.1	Very low	37.4	Very low	237 Å²	237	142.9 Å²	142.9	90%	0.898	79%	0.789	S	S	*	*			trans	-65.4	158.8	160.1	-92.4	81.1	0	0	0	111.4
156	Q	34.2	Very low	36.7	Very low	175 Å²	175	142.3 Å²	142.3	82%	0.818	79%	0.789	S	S	*	*			trans	96.3	97.5	160.7	-51.3	-171.3	-20	0	0	116.9
157	V	44.4	Very low	36.1	Very low	153 Å²	153	147.1 Å²	147.1	93%	0.927	79%	0.791	S	S	*	*				-140.3	137.1	115.6	-178	0	0	0	0	108.3
158	L	36	Very low	35.5	Very low	148 Å²	148	154.3 Å²	154.3	78%	0.775	80%	0.802	S	S	*	*			trans	-72.6	146.4	-162.8	-75.6	140.8	0	0	0	115.3
159	H	27.6	Very low	34.5	Very low	168 Å²	168	157.7 Å²	157.7	78%	0.778	81%	0.806	S	S	*	*			trans	-15.3	119.9	141.8	-60.8	-81.1	0	0	0	116.2
160	S	36.1	Very low	34.5	Very low	122 Å²	122	159.8 Å²	159.8	85%	0.853	80%	0.803	S	S	*	*			trans	-143	134.6	134.4	56.5	0	0	0	0	109.1
161	V	30.7	Very low	34.2	Very low	122 Å²	122	160.4 Å²	160.4	74%	0.739	80%	0.802	S	S	*	*			trans	-127.8	166.3	-171.9	-171.9	0	0	0	0	104.8
162	P	43.7	Very low	33.9	Very low	90 Å²	90	162 Å²	162	58%	0.584	80%	0.802	S	S	*	*				-120.1	161.3	-54.7	37.1	-22.9	0	0	0	110.8	F164	P162-F164 HydrophobicContact CB-CD2 4.41Å; P162-F164 HydrophobicContact CB-CE2 4.5Å
163	T	32.5	Very low	33.4	Very low	133 Å²	133	161.6 Å²	161.6	82%	0.816	80%	0.8	S	S	*	*			trans	-132.3	95.2	158	51.9	0	0	0	0	110.7	I165	T163-I165 PolarHBondContact O-N 2.64Å
164	F	31.5	Very low	33.3	Very low	196 Å²	196	161.6 Å²	161.6	86%	0.86	81%	0.805	S	S	*	*			trans	-52.4	121.5	155.7	-75.5	-103.6	0	0	0	109.2	P162	P162-F164 HydrophobicContact CB-CD2 4.41Å; P162-F164 HydrophobicContact CB-CE2 4.5Å
165	I	31.4	Very low	33.2	Very low	150 Å²	150	156.7 Å²	156.7	77%	0.769	80%	0.795	S	S	*	*			trans	-132.9	123.2	157.9	-59.8	-177.2	0	0	0	109.5	T163	T163-I165 PolarHBondContact O-N 2.64Å
166	S	32.9	Very low	33.4	Very low	107 Å²	107	153.4 Å²	153.4	75%	0.748	79%	0.794	S	S	*	*			trans	-58.5	147.5	-171.8	50.2	0	0	0	0	116.2
167	Y	33.2	Very low	32.8	Very low	217 Å²	217	152.1 Å²	152.1	85%	0.851	79%	0.792	S	S	*	*			trans	-72.1	140	162.4	-64.9	-86.6	0	0	0	111.4
168	R	32.2	Very low	31.9	Very low	230 Å²	230	153.5 Å²	153.5	87%	0.868	79%	0.788	S	S	*	*			trans	-96.7	105	176	-169.1	-176.5	-72.4	-155.6	-2.2	108.9
169	F	23.8	Very low	31.2	Very low	195 Å²	195	157.3 Å²	157.3	86%	0.855	79%	0.794	S	S	*	*			trans	-82.6	134.3	163.4	-80.9	-92.6	0	0	0	109.3
170	R	40.2	Very low	31.1	Very low	203 Å²	203	154.9 Å²	154.9	77%	0.766	80%	0.796	S	S	*	*			trans	-110.3	108.8	166.2	179.4	167.9	-70.4	-135.5	-2.7	108.1
171	S	32.1	Very low	30.6	Very low	94 Å²	94	158.6 Å²	158.6	66%	0.657	80%	0.797	S	S	*	*			trans	-98.5	111.9	163.9	60.8	0	0	0	0	108	H173	S171-H173 PolarHBondContact O-N 3.06Å
172	D	36.7	Very low	30.5	Very low	142 Å²	142	158.6 Å²	158.6	76%	0.759	80%	0.797	S	S	*	*			trans	-94.3	90.3	162.5	-72.2	-29.9	0	0	0	107.3
173	H	28.1	Very low	29.8	Very low	167 Å²	167	160.7 Å²	160.7	77%	0.773	81%	0.807	S	S	*	*			trans	-78.3	118.4	155.4	-86	-70.6	0	0	0	107.7	S171	S171-H173 PolarHBondContact O-N 3.06Å
174	L	33.1	Very low	29.8	Very low	174 Å²	174	160.7 Å²	160.7	91%	0.911	81%	0.807	S	S	*	*			trans	-161.1	106.7	142.5	-74	-171	0	0	0	106.3
175	G	28.5	Very low	30.1	Very low	67 Å²	67	155.4 Å²	155.4	69%	0.691	80%	0.795	S	S	*	*				81.2	114.8	101.2	0	0	0	0	0	109.5
176	I	31.8	Very low	30.3	Very low	169 Å²	169	157.8 Å²	157.8	87%	0.867	80%	0.8	S	S	*	*				-166.7	143.8	88.5	-85.5	149.8	0	0	0	109.4
177	N	23.6	Very low	30.5	Very low	148 Å²	148	158.2 Å²	158.2	79%	0.791	79%	0.793	S	S	*	*			trans	-55.9	161.8	175.9	-57.7	-63.8	0	0	0	113.9
178	Q	24.8	Very low	31.1	Very low	181 Å²	181	156.1 Å²	156.1	85%	0.846	80%	0.796	S	S	*	*				127.5	110.8	126.6	-155.1	164.7	10.5	0	0	113.2	S180	Q178-S180 PolarHBondContact O-N 3.41Å
179	Y	21.6	Very low	31.9	Very low	229 Å²	229	148.4 Å²	148.4	90%	0.898	78%	0.777	S	S	*	*			trans	-39.7	118	161.3	-78.4	-104.2	0	0	0	111.4
180	S	24.3	Very low	33.1	Very low	116 Å²	116	144.7 Å²	144.7	81%	0.811	77%	0.771	S	S	*	*			trans	-135.2	82.2	150	76.7	0	0	0	0	109	Q178 V182	Q178-S180 PolarHBondContact O-N 3.41Å; S180-V182 PolarHBondContact O-N 2.96Å
181	K	25.8	Very low	33.8	Very low	201 Å²	201	137.9 Å²	137.9	87%	0.874	75%	0.749	S	S	*	*			trans	-88.4	83.4	166.2	-169.8	-176.2	-173.5	179.2	0	107.8
182	V	28.9	Very low	35.4	Very low	122 Å²	122	137.6 Å²	137.6	74%	0.739	75%	0.753	S	S	*	*			trans	-151.3	97.8	161.3	-173.7	0	0	0	0	108.8	S180	S180-V182 PolarHBondContact O-N 2.96Å
183	V	30	Very low	36.2	Very low	133 Å²	133	133.3 Å²	133.3	81%	0.806	73%	0.732	S	S	*	*			trans	-144.7	96.1	138.4	-176.9	0	0	0	0	107.2	S185	V183-S185 PolarHBondContact O-N 3.31Å
184	T	31.8	Very low	38.3	Very low	133 Å²	133	129.7 Å²	129.7	82%	0.816	72%	0.715	S	S	*	*			trans	-65.7	108.9	149.4	35	0	0	0	0	108.7
185	S	38.5	Very low	39.8	Very low	85 Å²	85	126.9 Å²	126.9	59%	0.594	70%	0.701	S	S	*	*			trans	-146.2	102.6	136.9	58.4	0	0	0	0	107.2	V183 L187	V183-S185 PolarHBondContact O-N 3.31Å; S185-L187 VanDerWaalsContact C-N 3.27Å; S185-L187 PolarHBondContact O-N 2.59Å
186	F	34.1	Very low	42	Very low	201 Å²	201	125.2 Å²	125.2	88%	0.882	68%	0.675	S	S	*	*			trans	-58.8	95	165	-138.4	-96.9	0	0	0	106.1
187	L	37.8	Very low	44	Very low	115 Å²	115	120.3 Å²	120.3	60%	0.602	65%	0.653	S	S	*	*			trans	-76.9	125.2	160.4	-67.1	174.1	0	0	0	105.6	S185 S189	S185-L187 VanDerWaalsContact C-N 3.27Å; S185-L187 PolarHBondContact O-N 2.59Å; L187-S189 WeakPolarHBondContact CB-OG 3.48Å; L187-S189 PolarHBondContact O-N 3.41Å
188	L	46.5	Very low	46.5	Very low	173 Å²	173	116 Å²	116	91%	0.906	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	24.2	169.7	-141.2	78.5	0	0	0	112.2
189	S	48	Very low	48.9	Very low	68 Å²	68	111.7 Å²	111.7	48%	0.476	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.8	7.2	-169.1	68.6	0	0	0	0	114.4	L187 L191	L187-S189 WeakPolarHBondContact CB-OG 3.48Å; L187-S189 PolarHBondContact O-N 3.41Å; S189-L191 PolarHBondContact O-N 2.64Å
190	T	49.7	Very low	51.3	Low	117 Å²	117	101.4 Å²	101.4	72%	0.718	57%	0.572	S	S	*	*			trans	-92.1	87.2	170.9	63.6	0	0	0	0	109	A192	T190-A192 PolarHBondContact O-N 3.36Å
191	L	53.9	Low	53.4	Low	60 Å²	60	102.3 Å²	102.3	31%	0.314	56%	0.564	S	S	.	*			trans	-54.6	117.9	150.4	-80.4	100.8	0	0	0	106.1	D117 R118 A119 S189 T193	D117-L191 WeakPolarHBondContact O-CD2 3.49Å; R118-L191 VanDerWaalsContact CA-CD2 3.49Å; A119-L191 HydrophobicContact CB-CB 3.44Å; A119-L191 VanDerWaalsContact CB-CB 3.44Å; A119-L191 HydrophobicContact CB-CD2 3.85Å; A119-L191 HydrophobicContact CB-CG 4.14Å; A119-L191 VanDerWaalsContact N-CD2 3.33Å; S189-L191 PolarHBondContact O-N 2.64Å; L191-T193 PolarHBondContact O-N 3.43Å; L191-T193 PolarHBondContact O-OG1 2.76Å; L191-T193 VanDerWaalsContact O-OG1 3.07Å
192	A	65.4	Low	55.4	Low	89 Å²	89	95.8 Å²	95.8	74%	0.736	54%	0.537	S	S	*	.			trans	-54.9	119.5	172.9	0	0	0	0	0	106.5	T190	T190-A192 PolarHBondContact O-N 3.36Å
193	T	54.2	Low	57.4	Low	52 Å²	52	90.3 Å²	90.3	32%	0.319	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	114	-171.1	-41.5	0	0	0	0	109	I103 A119 N121 L191	I103-T193 HydrophobicContact CG2-CG2 4.11Å; A119-T193 WeakPolarHBondContact O-CA 3.07Å; N121-T193 HydrophobicContact CB-CG2 3.41Å; N121-T193 VanDerWaalsContact CB-CG2 3.41Å; L191-T193 PolarHBondContact O-N 3.43Å; L191-T193 PolarHBondContact O-OG1 2.76Å; L191-T193 VanDerWaalsContact O-OG1 3.07Å
194	E	71.9	Confident	59.4	Low	90 Å²	90	89.3 Å²	89.3	42%	0.421	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	134.4	175.9	-69.9	177.7	-178.2	0	0	109.9	A119 Y120 N121	A119-E194 PolarHBondContact O-N 3.3Å; Y120-E194 HydrophobicContact CD1-CB 3.85Å; Y120-E194 HydrophobicContact CE1-CB 4.07Å; Y120-E194 WeakPolarHBondContact CE1-OE2 3.34Å; N121-E194 PolarHBondContact N-O 2.91Å
195	L	66	Low	61.7	Low	116 Å²	116	84.8 Å²	84.8	61%	0.607	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	117.7	-176.4	-78	157.7	0	0	0	109.7	N121 K123	N121-L195 HydrophobicContact CB-CD2 4.18Å; K123-L195 HydrophobicContact CD-CD2 4.24Å
196	I	73.9	Confident	63.7	Low	31 Å²	31	86.1 Å²	86.1	16%	0.159	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	116.6	177.4	-62.4	173.8	0	0	0	107.5	P32 V34 Y120 N121 K123	P32-I196 HydrophobicContact CG-CD1 3.11Å; V34-I196 HydrophobicContact CG2-CG2 3.99Å; Y120-I196 HydrophobicContact CD1-CD1 3.78Å; Y120-I196 HydrophobicContact CE1-CD1 4.28Å; N121-I196 PolarHBondContact O-N 3.21Å; N121-I196 VanDerWaalsContact O-N 3.16Å; K123-I196 PolarHBondContact N-O 3.12Å
197	T	73.1	Confident	66	Low	66 Å²	66	78.6 Å²	78.6	41%	0.405	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	120.9	-176.8	-54.8	0	0	0	0	109.3	Y99 K123 F125	Y99-T197 HydrophobicContact CE1-CG2 3.84Å; K123-T197 HydrophobicContact CB-CG2 4.34Å; K123-T197 CarbonylContact O-C 3.48Å; K123-T197 VanDerWaalsContact O-CA 3.32Å; K123-T197 WeakPolarHBondContact O-CA 3.31Å; F125-T197 HydrophobicContact CB-CG2 4.28Å
198	Q	77.5	Confident	68.3	Low	58 Å²	58	74.7 Å²	74.7	27%	0.271	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.7	165.8	-171.5	-176.3	8.5	0	0	108.8	V34 D35 C36 K123 F125	V34-Q198 PolarHBondContact O-OE1 2.77Å; D35-Q198 VanDerWaalsContact CA-OE1 3.26Å; C36-Q198 PolarHBondContact SG-OE1 3.03Å; K123-Q198 PolarHBondContact O-N 2.89Å; F125-Q198 PolarHBondContact N-O 2.9Å
199	N	74.5	Confident	70.2	Confident	91 Å²	91	66.7 Å²	66.7	49%	0.487	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	112.6	173.2	-68.3	-3.2	0	0	0	108.6
200	V	71.5	Confident	72.2	Confident	13 Å²	13	63.6 Å²	63.6	8%	0.079	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	122.4	175.6	-173.4	0	0	0	0	108.8	C36 F125 Y126 A238	C36-V200 HydrophobicContact CB-CG2 3.54Å; F125-V200 PolarHBondContact O-N 2.89Å; Y126-V200 HydrophobicContact CD1-CB 3.75Å; Y126-V200 HydrophobicContact CD1-CG1 3.94Å; Y126-V200 HydrophobicContact CD1-CG2 3.99Å; Y126-V200 HydrophobicContact CE1-CB 3.84Å; Y126-V200 HydrophobicContact CE1-CG1 3.83Å; Y126-V200 HydrophobicContact CE1-CG2 3.64Å; V200-A238 HydrophobicContact CG1-CB 4.05Å
201	Q	68.7	Low	74	Confident	135 Å²	135	58.7 Å²	58.7	63%	0.631	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-83	134.1	-177.3	-64.7	-61.4	-40.4	0	0	111.9	Y241	Q201-Y241 PolarHBondContact O-OH 3.08Å
202	M	67.9	Low	75.5	Confident	64 Å²	64	62.8 Å²	62.8	32%	0.315	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-57.7	145.6	172.2	-174.4	174	-98	0	0	110.8	T129 K131 Y241	T129-M202 WeakPolarHBondContact O-CE 3.24Å; K131-M202 HydrophobicContact CB-SD 4.17Å; M202-Y241 WeakPolarHBondContact CA-OH 3.28Å; M202-Y241 HydrophobicContact CB-CE1 4.42Å; M202-Y241 HydrophobicContact CG-CE1 4.35Å; M202-Y241 PolarHBondContact N-OH 3.48Å
203	P	70.3	Confident	76.6	Confident	7 Å²	7	58.8 Å²	58.8	5%	0.045	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-76.6	155.9	-175.5	32.8	-31.2	0	0	0	110.4	C205 C234 S235 Y241	P203-C205 PolarHBondContact O-N 2.05Å; P203-C205 VanDerWaalsContact O-N 3.12Å; P203-C234 HydrophobicContact CB-CB 4.34Å; P203-C234 HydrophobicContact CG-CB 4.13Å; P203-S235 WeakPolarHBondContact CA-O 3.11Å; P203-S235 WeakPolarHBondContact CB-O 3.41Å; P203-Y241 HydrophobicContact CB-CD2 4.07Å; P203-Y241 HydrophobicContact CB-CE2 4.31Å; P203-Y241 VanDerWaalsContact CD-CE2 3.43Å; P203-Y241 HydrophobicContact CG-CD1 4.06Å; P203-Y241 HydrophobicContact CG-CD2 3.43Å; P203-Y241 VanDerWaalsContact CG-CD2 3.43Å; P203-Y241 HydrophobicContact CG-CE2 3.95Å; P203-Y241 HydrophobicContact CG-CG 3.47Å; P203-Y241 VanDerWaalsContact CG-CG 3.47Å
204	D	72.9	Confident	78	Confident	111 Å²	111	60.6 Å²	60.6	59%	0.594	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	105.5	169.6	-74.6	-41.3	0	0	0	109.5	K131 C234 S235	K131-D204 IonicContact NZ-OD1 2.66Å; K131-D204 PolarHBondContact NZ-OD1 2.94Å; D204-C234 WeakPolarHBondContact O-CA 3.24Å; D204-S235 PolarHBondContact O-N 3.05Å
205	C	78.6	Confident	78.6	Confident	38 Å²	38	62.8 Å²	62.8	26%	0.257	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	135.6	172.2	-65	0	0	0	0	111	V133 P203 S233 C234	V133-C205 HydrophobicContact CG2-CB 4.15Å; V133-C205 VanDerWaalsContact CG2-O 3.31Å; V133-C205 WeakPolarHBondContact CG2-O 3.45Å; P203-C205 PolarHBondContact O-N 2.05Å; P203-C205 VanDerWaalsContact O-N 3.12Å; C205-S233 CarbonylContact C-O 3.49Å; C205-S233 WeakPolarHBondContact CA-O 3.37Å; C205-C234 HydrophobicContact CB-CB 4.14Å; C205-C234 WeakPolarHBondContact CB-SG 3.27Å; C205-C234 WeakPolarHBondContact SG-CB 3.24Å; C205-C234 CovalentContact SG-SG 2.05Å; C205-C234 PolarHBondContact SG-SG 2.88Å
206	K	80.4	Confident	79.6	Confident	113 Å²	113	58.2 Å²	58.2	49%	0.491	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134.7	176.5	-171.3	-171.8	-179.8	-157.1	0	109	E208 W232 S233	K206-E208 HydrophobicContact CD-CG 4.12Å; K206-E208 VanDerWaalsContact CE-OE1 3.27Å; K206-E208 WeakPolarHBondContact CE-OE1 3.41Å; K206-E208 WeakPolarHBondContact CE-OE2 3.08Å; K206-E208 HydrophobicContact CG-CG 4.15Å; K206-E208 IonicContact NZ-OE1 3.31Å; K206-E208 PolarHBondContact NZ-OE1 2.88Å; K206-E208 IonicContact NZ-OE2 3.93Å; K206-E208 PolarHBondContact NZ-OE2 2.66Å; K206-W232 CarbonylContact O-C 3.58Å; K206-W232 WeakPolarHBondContact O-CA 3.49Å; K206-S233 PolarHBondContact N-O 2.73Å; K206-S233 PolarHBondContact O-N 2.87Å
207	Y	83.8	Confident	80.3	Confident	43 Å²	43	63.7 Å²	63.7	17%	0.169	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129	176.7	172.4	-113.5	0	0	0	109.3	S135 V209 H230 K231 W232	S135-Y207 WeakPolarHBondContact OG-CD1 3.38Å; S135-Y207 WeakPolarHBondContact OG-CE1 3.45Å; Y207-V209 HydrophobicContact CE1-CG2 3.99Å; Y207-H230 HydrophobicContact CE2-CB 4.09Å; Y207-H230 AromaticContact CE2-ND1 3.72Å; Y207-H230 AromaticContact CZ-ND1 3.6Å; Y207-H230 PolarHBondContact OH-CE1 2.68Å; Y207-H230 PolarHBondContact OH-ND1 3.19Å; Y207-K231 WeakPolarHBondContact CA-O 3.35Å; Y207-W232 AromaticContact CD2-CD2 3.6Å; Y207-W232 HydrophobicContact CD2-CD2 3.6Å; Y207-W232 AromaticContact CD2-CE2 3.34Å; Y207-W232 AromaticContact CD2-CE3 3.83Å; Y207-W232 HydrophobicContact CD2-CE3 3.83Å; Y207-W232 HydrophobicContact CD2-CG 4.32Å; Y207-W232 AromaticContact CD2-CH2 3.59Å; Y207-W232 HydrophobicContact CD2-CH2 3.59Å; Y207-W232 AromaticContact CD2-CZ2 3.34Å; Y207-W232 HydrophobicContact CD2-CZ2 3.34Å; Y207-W232 AromaticContact CD2-CZ3 3.83Å; Y207-W232 HydrophobicContact CD2-CZ3 3.83Å; Y207-W232 AromaticContact CD2-NE1 3.93Å; Y207-W232 HydrophobicContact CE2-CD2 4.4Å; Y207-W232 AromaticContact CE2-CE2 3.7Å; Y207-W232 HydrophobicContact CE2-CH2 4.12Å; Y207-W232 AromaticContact CE2-CZ2 3.55Å; Y207-W232 HydrophobicContact CE2-CZ2 3.55Å; Y207-W232 HydrophobicContact CG-CD2 4.37Å; Y207-W232 HydrophobicContact CG-CE3 4.14Å; Y207-W232 AromaticContact CG-CH2 3.82Å; Y207-W232 HydrophobicContact CG-CH2 3.82Å; Y207-W232 HydrophobicContact CG-CZ2 4.07Å; Y207-W232 AromaticContact CG-CZ3 3.87Å; Y207-W232 HydrophobicContact CG-CZ3 3.87Å
208	E	84.6	Confident	81	Confident	34 Å²	34	63.7 Å²	63.7	16%	0.159	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	140.8	-179.8	-60.6	-174.3	99.7	0	0	110	K206 L210 P218 K231	K206-E208 HydrophobicContact CD-CG 4.12Å; K206-E208 VanDerWaalsContact CE-OE1 3.27Å; K206-E208 WeakPolarHBondContact CE-OE1 3.41Å; K206-E208 WeakPolarHBondContact CE-OE2 3.08Å; K206-E208 HydrophobicContact CG-CG 4.15Å; K206-E208 IonicContact NZ-OE1 3.31Å; K206-E208 PolarHBondContact NZ-OE1 2.88Å; K206-E208 IonicContact NZ-OE2 3.93Å; K206-E208 PolarHBondContact NZ-OE2 2.66Å; E208-L210 HydrophobicContact CB-CD2 3.99Å; E208-P218 WeakPolarHBondContact OE1-CG 3.22Å; E208-K231 PolarHBondContact N-O 3.25Å; E208-K231 PolarHBondContact O-N 2.86Å
209	V	87.7	Confident	81.4	Confident	4 Å²	4	62.4 Å²	62.4	2%	0.024	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	121.9	170.6	-176.6	0	0	0	0	107.2	L137 Y207 P218 I219 V228 Y229	L137-V209 HydrophobicContact CD1-CG1 4.4Å; L137-V209 HydrophobicContact CD2-CG1 4.22Å; L137-V209 HydrophobicContact CD2-CG2 4.46Å; Y207-V209 HydrophobicContact CE1-CG2 3.99Å; V209-P218 CarbonylContact O-C 3.53Å; V209-P218 VanDerWaalsContact O-CA 3.3Å; V209-P218 WeakPolarHBondContact O-CA 3.22Å; V209-I219 HydrophobicContact CB-CG1 4.36Å; V209-I219 HydrophobicContact CG1-CD1 4.13Å; V209-I219 HydrophobicContact CG1-CG1 3.96Å; V209-I219 WeakPolarHBondContact O-CG1 3.42Å; V209-I219 PolarHBondContact O-N 3.36Å; V209-V228 HydrophobicContact CG1-CB 3.68Å; V209-V228 HydrophobicContact CG1-CG1 4.31Å; V209-V228 HydrophobicContact CG1-CG2 3.85Å; V209-Y229 CarbonylContact C-O 3.54Å; V209-Y229 WeakPolarHBondContact CA-O 3.42Å
210	L	89.8	Confident	81.8	Confident	4 Å²	4	65.4 Å²	65.4	2%	0.021	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	145.9	-174.3	-49.5	-178.3	0	0	0	111.6	E208 P214 G216 Q217 P218 Y229 K231	E208-L210 HydrophobicContact CB-CD2 3.99Å; L210-P214 WeakPolarHBondContact CD1-O 3.28Å; L210-G216 WeakPolarHBondContact CD2-O 3.2Å; L210-Q217 WeakPolarHBondContact CA-O 3.47Å; L210-P218 HydrophobicContact CD2-CB 4.19Å; L210-P218 HydrophobicContact CD2-CG 3.86Å; L210-Y229 PolarHBondContact N-O 3.36Å; L210-Y229 PolarHBondContact O-N 3.24Å; L210-K231 HydrophobicContact CD1-CB 4.02Å; L210-K231 HydrophobicContact CD1-CD 3.69Å; L210-K231 HydrophobicContact CG-CB 4.27Å
211	S	88.1	Confident	82.4	Confident	13 Å²	13	71.2 Å²	71.2	9%	0.091	37%	0.368	C	S	.	.	S	Bend	trans	-82.5	161.3	165.5	68.3	0	0	0	0	111.5	G213 G216 Q217	S211-G213 PolarHBondContact O-N 2.86Å; S211-G216 VanDerWaalsContact O-CA 3.28Å; S211-G216 WeakPolarHBondContact O-CA 3.4Å; S211-Q217 PolarHBondContact N-O 2.79Å; S211-Q217 VanDerWaalsContact N-O 3.11Å
212	D	85.5	Confident	83.1	Confident	147 Å²	147	65.2 Å²	65.2	79%	0.786	34%	0.341	S	S	*	.	S	Bend	trans	57.6	16.9	161.6	-45	-52.3	0	0	0	117.1
213	G	86.8	Confident	83.9	Confident	5 Å²	5	64.7 Å²	64.7	5%	0.052	34%	0.342	C	S	.	.	S	Bend	trans	124.4	-174.5	173.4	0	0	0	0	0	115.7	S211 T215 G216 Y229	S211-G213 PolarHBondContact O-N 2.86Å; G213-T215 VanDerWaalsContact C-N 3.26Å; G213-T215 PolarHBondContact O-N 2.8Å; G213-G216 PolarHBondContact O-N 2.88Å; G213-Y229 VanDerWaalsContact CA-CD2 3.45Å; G213-Y229 VanDerWaalsContact CA-CE2 3.44Å
214	P	83.8	Confident	84.5	Confident	90 Å²	90	68.7 Å²	68.7	58%	0.584	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.3	-175.7	-21.4	33.1	0	0	0	115.6	L210 Y229	L210-P214 WeakPolarHBondContact CD1-O 3.28Å; P214-Y229 HydrophobicContact CG-CD1 4.37Å
215	T	85	Confident	85	Confident	136 Å²	136	67.3 Å²	67.3	83%	0.834	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	9.1	179.5	56	0	0	0	0	112.7	G213	G213-T215 VanDerWaalsContact C-N 3.26Å; G213-T215 PolarHBondContact O-N 2.8Å
216	G	86.7	Confident	85.2	Confident	20 Å²	20	69 Å²	69	21%	0.206	38%	0.382	C	S	.	.	S	Bend	trans	-72.4	-179.9	-178.3	0	0	0	0	0	113.9	L210 S211 G213	L210-G216 WeakPolarHBondContact CD2-O 3.2Å; S211-G216 VanDerWaalsContact O-CA 3.28Å; S211-G216 WeakPolarHBondContact O-CA 3.4Å; G213-G216 PolarHBondContact O-N 2.88Å
217	Q	88.4	Confident	85.5	Confident	145 Å²	145	70.2 Å²	70.2	68%	0.678	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-80.9	143.2	-179.2	-68.4	-65.1	-26.2	0	0	110.7	L210 S211 I219	L210-Q217 WeakPolarHBondContact CA-O 3.47Å; S211-Q217 PolarHBondContact N-O 2.79Å; S211-Q217 VanDerWaalsContact N-O 3.11Å; Q217-I219 PolarHBondContact O-N 3.33Å
218	P	87.9	Confident	85.8	Confident	67 Å²	67	70 Å²	70	44%	0.435	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-59.1	125	170.8	-22	32.9	0	0	0	111.1	E208 V209 L210	E208-P218 WeakPolarHBondContact OE1-CG 3.22Å; V209-P218 CarbonylContact O-C 3.53Å; V209-P218 VanDerWaalsContact O-CA 3.3Å; V209-P218 WeakPolarHBondContact O-CA 3.22Å; L210-P218 HydrophobicContact CD2-CB 4.19Å; L210-P218 HydrophobicContact CD2-CG 3.86Å
219	I	85.6	Confident	86	Confident	31 Å²	31	72.3 Å²	72.3	16%	0.159	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-102.4	142.1	176.6	57.3	170.1	0	0	0	110.9	L137 V209 Q217 A222 V228	L137-I219 HydrophobicContact CD1-CD1 4.47Å; L137-I219 HydrophobicContact CD1-CG1 4.23Å; V209-I219 HydrophobicContact CB-CG1 4.36Å; V209-I219 HydrophobicContact CG1-CD1 4.13Å; V209-I219 HydrophobicContact CG1-CG1 3.96Å; V209-I219 WeakPolarHBondContact O-CG1 3.42Å; V209-I219 PolarHBondContact O-N 3.36Å; Q217-I219 PolarHBondContact O-N 3.33Å; I219-A222 HydrophobicContact CD1-CB 4.11Å; I219-V228 HydrophobicContact CD1-CB 4.28Å; I219-V228 HydrophobicContact CD1-CG1 3.54Å
220	K	84.5	Confident	85.9	Confident	154 Å²	154	77.7 Å²	77.7	67%	0.67	43%	0.425	S	S	*	.	S	Bend	trans	-99	-17.6	171.2	-64.6	-175	-179.8	-177.3	0	112.7	L137 E138	L137-K220 WeakPolarHBondContact CA-O 3.45Å; E138-K220 PolarHBondContact N-O 3.06Å
221	Y	84	Confident	85.7	Confident	134 Å²	134	81.5 Å²	81.5	53%	0.525	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	137.4	-177.8	-55.6	-88.5	0	0	0	110.3	E138	E138-Y221 HydrophobicContact CB-CD1 3.54Å; E138-Y221 HydrophobicContact CB-CE1 3.52Å; E138-Y221 HydrophobicContact CG-CE1 4.19Å; E138-Y221 WeakPolarHBondContact O-CA 3Å; E138-Y221 VanDerWaalsContact OE2-CE1 3.28Å; E138-Y221 WeakPolarHBondContact OE2-CE1 3.42Å
222	A	82.7	Confident	85.4	Confident	9 Å²	9	86.3 Å²	86.3	7%	0.074	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	143.5	173.1	0	0	0	0	0	110.1	E138 V139 S140 I219 V228	E138-A222 PolarHBondContact O-N 3.2Å; V139-A222 WeakPolarHBondContact CA-O 2.85Å; S140-A222 PolarHBondContact N-O 2.83Å; S140-A222 PolarHBondContact OG-O 3.28Å; I219-A222 HydrophobicContact CD1-CB 4.11Å; A222-V228 HydrophobicContact CB-CG1 3.98Å
223	T	84.7	Confident	85.2	Confident	53 Å²	53	81.5 Å²	81.5	33%	0.325	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	155.9	171.3	53.8	0	0	0	0	110.9	S140 G225 Q226	S140-T223 VanDerWaalsContact OG-CG2 3.24Å; S140-T223 WeakPolarHBondContact OG-CG2 3Å; T223-G225 PolarHBondContact O-N 3.11Å; T223-Q226 VanDerWaalsContact O-CB 3.24Å; T223-Q226 WeakPolarHBondContact O-CB 3.3Å; T223-Q226 PolarHBondContact O-N 3.36Å; T223-Q226 PolarHBondContact OG1-OE1 3.25Å
224	V	83.7	Confident	84.8	Confident	91 Å²	91	84.2 Å²	84.2	55%	0.552	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	123.8	175.5	-178.6	0	0	0	0	109.7	V139	V139-V224 HydrophobicContact CG1-CG2 3.92Å
225	G	82.8	Confident	84.2	Confident	83 Å²	83	84.5 Å²	84.5	86%	0.856	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.4	-7.3	-176.3	0	0	0	0	0	114.8	T223 Q227	T223-G225 PolarHBondContact O-N 3.11Å; G225-Q227 PolarHBondContact O-N 3.07Å
226	Q	83.3	Confident	83.2	Confident	73 Å²	73	80.3 Å²	80.3	34%	0.341	43%	0.434	S	S	.	.			trans	-71.3	126.5	172.7	-175.1	178.4	-7	0	0	110.5	T223 V228	T223-Q226 VanDerWaalsContact O-CB 3.24Å; T223-Q226 WeakPolarHBondContact O-CB 3.3Å; T223-Q226 PolarHBondContact O-N 3.36Å; T223-Q226 PolarHBondContact OG1-OE1 3.25Å; Q226-V228 HydrophobicContact CG-CG1 4.4Å
227	Q	87.3	Confident	82.1	Confident	139 Å²	139	89.2 Å²	89.2	65%	0.65	47%	0.47	S	S	*	.			trans	-74.5	128.9	172.1	-175.4	172.3	-17.1	0	0	109.9	G225 Y229	G225-Q227 PolarHBondContact O-N 3.07Å; Q227-Y229 HydrophobicContact CG-CE2 4.17Å; Q227-Y229 PolarHBondContact NE2-OH 2.89Å; Q227-Y229 VanDerWaalsContact NE2-OH 3.08Å
228	V	89.3	Confident	80.5	Confident	37 Å²	37	83.5 Å²	83.5	22%	0.224	45%	0.448	C	S	.	.			trans	-125.3	154.6	-179.9	-56.7	0	0	0	0	110.3	V209 I219 A222 Q226	V209-V228 HydrophobicContact CG1-CB 3.68Å; V209-V228 HydrophobicContact CG1-CG1 4.31Å; V209-V228 HydrophobicContact CG1-CG2 3.85Å; I219-V228 HydrophobicContact CD1-CB 4.28Å; I219-V228 HydrophobicContact CD1-CG1 3.54Å; A222-V228 HydrophobicContact CB-CG1 3.98Å; Q226-V228 HydrophobicContact CG-CG1 4.4Å
229	Y	87.8	Confident	78.8	Confident	84 Å²	84	83.1 Å²	83.1	33%	0.329	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.8	-176.5	-72.4	-99.2	0	0	0	110.5	V209 L210 G213 P214 Q227	V209-Y229 CarbonylContact C-O 3.54Å; V209-Y229 WeakPolarHBondContact CA-O 3.42Å; L210-Y229 PolarHBondContact N-O 3.36Å; L210-Y229 PolarHBondContact O-N 3.24Å; G213-Y229 VanDerWaalsContact CA-CD2 3.45Å; G213-Y229 VanDerWaalsContact CA-CE2 3.44Å; P214-Y229 HydrophobicContact CG-CD1 4.37Å; Q227-Y229 HydrophobicContact CG-CE2 4.17Å; Q227-Y229 PolarHBondContact NE2-OH 2.89Å; Q227-Y229 VanDerWaalsContact NE2-OH 3.08Å
230	H	86.2	Confident	77.5	Confident	117 Å²	117	85 Å²	85	54%	0.542	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	116.5	178	-64.8	-106.3	0	0	0	108.9	Y207	Y207-H230 HydrophobicContact CE2-CB 4.09Å; Y207-H230 AromaticContact CE2-ND1 3.72Å; Y207-H230 AromaticContact CZ-ND1 3.6Å; Y207-H230 PolarHBondContact OH-CE1 2.68Å; Y207-H230 PolarHBondContact OH-ND1 3.19Å
231	K	84.7	Confident	76.3	Confident	84 Å²	84	80.8 Å²	80.8	37%	0.365	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126	179	-176.6	175.4	178.6	177.3	0	110.4	Y207 E208 L210	Y207-K231 WeakPolarHBondContact CA-O 3.35Å; E208-K231 PolarHBondContact N-O 3.25Å; E208-K231 PolarHBondContact O-N 2.86Å; L210-K231 HydrophobicContact CD1-CB 4.02Å; L210-K231 HydrophobicContact CD1-CD 3.69Å; L210-K231 HydrophobicContact CG-CB 4.27Å
232	W	82.9	Confident	74.9	Confident	113 Å²	113	80 Å²	80	43%	0.428	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.8	171.1	-57.5	88.4	0	0	0	108.6	V133 K206 Y207 L243	V133-W232 HydrophobicContact CB-CZ3 4.24Å; K206-W232 CarbonylContact O-C 3.58Å; K206-W232 WeakPolarHBondContact O-CA 3.49Å; Y207-W232 AromaticContact CD2-CD2 3.6Å; Y207-W232 HydrophobicContact CD2-CD2 3.6Å; Y207-W232 AromaticContact CD2-CE2 3.34Å; Y207-W232 AromaticContact CD2-CE3 3.83Å; Y207-W232 HydrophobicContact CD2-CE3 3.83Å; Y207-W232 HydrophobicContact CD2-CG 4.32Å; Y207-W232 AromaticContact CD2-CH2 3.59Å; Y207-W232 HydrophobicContact CD2-CH2 3.59Å; Y207-W232 AromaticContact CD2-CZ2 3.34Å; Y207-W232 HydrophobicContact CD2-CZ2 3.34Å; Y207-W232 AromaticContact CD2-CZ3 3.83Å; Y207-W232 HydrophobicContact CD2-CZ3 3.83Å; Y207-W232 AromaticContact CD2-NE1 3.93Å; Y207-W232 HydrophobicContact CE2-CD2 4.4Å; Y207-W232 AromaticContact CE2-CE2 3.7Å; Y207-W232 HydrophobicContact CE2-CH2 4.12Å; Y207-W232 AromaticContact CE2-CZ2 3.55Å; Y207-W232 HydrophobicContact CE2-CZ2 3.55Å; Y207-W232 HydrophobicContact CG-CD2 4.37Å; Y207-W232 HydrophobicContact CG-CE3 4.14Å; Y207-W232 AromaticContact CG-CH2 3.82Å; Y207-W232 HydrophobicContact CG-CH2 3.82Å; Y207-W232 HydrophobicContact CG-CZ2 4.07Å; Y207-W232 AromaticContact CG-CZ3 3.87Å; Y207-W232 HydrophobicContact CG-CZ3 3.87Å; W232-L243 HydrophobicContact CB-CD2 3.97Å; W232-L243 HydrophobicContact CG-CD2 3.97Å
233	S	80.7	Confident	73.9	Confident	47 Å²	47	84.2 Å²	84.2	33%	0.329	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	124.5	174.7	-55.5	0	0	0	0	108.8	C205 K206	C205-S233 CarbonylContact C-O 3.49Å; C205-S233 WeakPolarHBondContact CA-O 3.37Å; K206-S233 PolarHBondContact N-O 2.73Å; K206-S233 PolarHBondContact O-N 2.87Å
234	C	78.2	Confident	72.5	Confident	62 Å²	62	86.3 Å²	86.3	42%	0.419	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.2	177.1	-58	0	0	0	0	109.7	P203 D204 C205	P203-C234 HydrophobicContact CB-CB 4.34Å; P203-C234 HydrophobicContact CG-CB 4.13Å; D204-C234 WeakPolarHBondContact O-CA 3.24Å; C205-C234 HydrophobicContact CB-CB 4.14Å; C205-C234 WeakPolarHBondContact CB-SG 3.27Å; C205-C234 WeakPolarHBondContact SG-CB 3.24Å; C205-C234 CovalentContact SG-SG 2.05Å; C205-C234 PolarHBondContact SG-SG 2.88Å
235	S	71.4	Confident	71.2	Confident	96 Å²	96	88.4 Å²	88.4	67%	0.671	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	106.5	172.8	-178.1	0	0	0	0	109.3	P203 D204	P203-S235 WeakPolarHBondContact CA-O 3.11Å; P203-S235 WeakPolarHBondContact CB-O 3.41Å; D204-S235 PolarHBondContact O-N 3.05Å
236	S	64.2	Low	70.3	Confident	47 Å²	47	96.6 Å²	96.6	33%	0.329	51%	0.51	S	S	.	.			trans	-117.9	132.4	175.4	74.2	0	0	0	0	111.5	A238 G239 Y241	S236-A238 VanDerWaalsContact C-N 3.33Å; S236-G239 PolarHBondContact OG-N 3.44Å; S236-Y241 VanDerWaalsContact CB-CD2 3.46Å
237	E	62.8	Low	69.6	Low	208 Å²	208	97.8 Å²	97.8	97%	0.972	52%	0.519	S	S	*	.	S	Bend	trans	-71.2	-33.3	165.4	-66.4	177.7	174.3	0	0	111.1
238	A	55.4	Low	68.7	Low	25 Å²	25	95.6 Å²	95.6	21%	0.207	51%	0.512	C	S	.	.	S	Bend	trans	-95.4	7.9	-167.2	0	0	0	0	0	115.8	V38 V200 S236 M240 Y241	V38-A238 WeakPolarHBondContact CG1-O 3.2Å; V200-A238 HydrophobicContact CG1-CB 4.05Å; S236-A238 VanDerWaalsContact C-N 3.33Å; A238-M240 PolarHBondContact O-N 2.99Å; A238-Y241 HydrophobicContact CB-CE2 4.39Å
239	G	52.8	Low	67.5	Low	59 Å²	59	98.9 Å²	98.9	61%	0.608	53%	0.528	S	S	*	.	S	Bend	trans	57	-2	170.9	0	0	0	0	0	119.3	S236	S236-G239 PolarHBondContact OG-N 3.44Å
240	M	57.8	Low	66.3	Low	69 Å²	69	99.8 Å²	99.8	34%	0.34	54%	0.54	S	S	.	.			trans	-96.1	-6.2	-167.5	-146.8	171.1	60	0	0	115.1	V38 Y126 A238 C242	V38-M240 HydrophobicContact CB-CB 4.31Å; V38-M240 HydrophobicContact CB-CG 4.1Å; V38-M240 HydrophobicContact CG1-CB 3.67Å; V38-M240 HydrophobicContact CG1-CG 3.99Å; V38-M240 VanDerWaalsContact CG1-N 3.33Å; Y126-M240 HydrophobicContact CD1-CE 3.06Å; Y126-M240 HydrophobicContact CD1-SD 4.42Å; Y126-M240 HydrophobicContact CD2-CE 4.19Å; Y126-M240 HydrophobicContact CE1-CE 3.19Å; Y126-M240 HydrophobicContact CE1-SD 4Å; Y126-M240 HydrophobicContact CE2-CE 4.32Å; Y126-M240 HydrophobicContact CG-CE 3.58Å; A238-M240 PolarHBondContact O-N 2.99Å; M240-C242 PolarHBondContact O-N 3.41Å
241	Y	59.1	Low	65.1	Low	66 Å²	66	98.7 Å²	98.7	26%	0.259	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-83.7	116.9	-170.2	-59.1	-76.8	0	0	0	110.5	Q201 M202 P203 S236 A238	Q201-Y241 PolarHBondContact O-OH 3.08Å; M202-Y241 WeakPolarHBondContact CA-OH 3.28Å; M202-Y241 HydrophobicContact CB-CE1 4.42Å; M202-Y241 HydrophobicContact CG-CE1 4.35Å; M202-Y241 PolarHBondContact N-OH 3.48Å; P203-Y241 HydrophobicContact CB-CD2 4.07Å; P203-Y241 HydrophobicContact CB-CE2 4.31Å; P203-Y241 VanDerWaalsContact CD-CE2 3.43Å; P203-Y241 HydrophobicContact CG-CD1 4.06Å; P203-Y241 HydrophobicContact CG-CD2 3.43Å; P203-Y241 VanDerWaalsContact CG-CD2 3.43Å; P203-Y241 HydrophobicContact CG-CE2 3.95Å; P203-Y241 HydrophobicContact CG-CG 3.47Å; P203-Y241 VanDerWaalsContact CG-CG 3.47Å; S236-Y241 VanDerWaalsContact CB-CD2 3.46Å; A238-Y241 HydrophobicContact CB-CE2 4.39Å
242	C	56	Low	63.8	Low	118 Å²	118	99.7 Å²	99.7	80%	0.797	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-97.9	132	170.1	-57.6	0	0	0	0	109.4	M240	M240-C242 PolarHBondContact O-N 3.41Å
243	L	60.7	Low	62.4	Low	98 Å²	98	98.7 Å²	98.7	51%	0.513	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-83.5	119.1	166.2	-179.2	69.6	0	0	0	108.1	W232 I245	W232-L243 HydrophobicContact CB-CD2 3.97Å; W232-L243 HydrophobicContact CG-CD2 3.97Å; L243-I245 HydrophobicContact CD2-CD1 4.17Å; L243-I245 HydrophobicContact CD2-CG1 3.96Å; L243-I245 HydrophobicContact CG-CG1 4.06Å
244	V	54.7	Low	61	Low	96 Å²	96	102.7 Å²	102.7	58%	0.582	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-94.5	117.2	168.6	-177.3	0	0	0	0	107.6	F246	V244-F246 HydrophobicContact CB-CE2 4.35Å; V244-F246 HydrophobicContact CG1-CD1 4.48Å; V244-F246 HydrophobicContact CG1-CD2 4.22Å; V244-F246 HydrophobicContact CG1-CE1 4.06Å; V244-F246 HydrophobicContact CG1-CE2 3.78Å; V244-F246 HydrophobicContact CG1-CZ 3.69Å
245	I	57.9	Low	59.6	Low	136 Å²	136	106.1 Å²	106.1	70%	0.697	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-97	119.2	172.3	-54.2	175.1	0	0	0	106.3	L243	L243-I245 HydrophobicContact CD2-CD1 4.17Å; L243-I245 HydrophobicContact CD2-CG1 3.96Å; L243-I245 HydrophobicContact CG-CG1 4.06Å
246	F	62	Low	58.5	Low	255 Å²	255	107 Å²	107	100%	1.118	58%	0.584	S	S	*	*			trans	-91.5	0	172.3	-66.1	-80.6	0	0	0	110.7	V244	V244-F246 HydrophobicContact CB-CE2 4.35Å; V244-F246 HydrophobicContact CG1-CD1 4.48Å; V244-F246 HydrophobicContact CG1-CD2 4.22Å; V244-F246 HydrophobicContact CG1-CE1 4.06Å; V244-F246 HydrophobicContact CG1-CE2 3.78Å; V244-F246 HydrophobicContact CG1-CZ 3.69Å

Retrieved 246 of 246 residues in 450.2 ms (Link to these results)

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