A0A096LTE1_POEFO Loading...

Transmembrane protein 62

AlphaFold DB , UniProt , Accession A0A096LTE1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 234 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	42	Very low	61.1	Low	248 Å²	248	159.2 Å²	159.2	100%	1.222	72%	0.723	S	S	*	*				0	112.2	0	-90.9	166.5	160.7	0	0	109
2	R	47.5	Very low	62.2	Low	253 Å²	253	158.7 Å²	158.7	96%	0.955	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-85.9	122.1	173.6	-72.8	-175	-173.9	-145.5	1.6	108.5
3	L	58	Low	63.5	Low	163 Å²	163	159.8 Å²	159.8	85%	0.853	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-62.3	139	177.9	-74.4	157.6	0	0	0	110.7
4	P	61.8	Low	64.7	Low	117 Å²	117	161.9 Å²	161.9	76%	0.76	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-68.6	140.2	180	26.6	-31.1	0	0	0	111.3
5	W	60.3	Low	66.1	Low	173 Å²	173	159.4 Å²	159.4	66%	0.655	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-57.7	140.2	-179	-140.1	-104.9	0	0	0	111.7	R7 Q9 Q10	W5-R7 PolarHBondContact O-N 2.7Å; W5-Q9 VanDerWaalsContact CD1-CB 3.43Å; W5-Q10 HydrophobicContact CB-CG 4.48Å
6	P	69.4	Low	67.4	Low	79 Å²	79	157.4 Å²	157.4	51%	0.513	70%	0.704	S	S	.	*	P	Polyproline II helix	trans	-56.8	132.1	179.8	-21.9	30.3	0	0	0	112	W8 Q9 Q10	P6-W8 PolarHBondContact O-N 2.88Å; P6-Q9 PolarHBondContact O-N 3.32Å; P6-Q10 PolarHBondContact O-N 3.19Å
7	R	65.8	Low	68.6	Low	217 Å²	217	156.2 Å²	156.2	82%	0.819	70%	0.698	S	S	*	*	H	α-helix	trans	-47.1	-35.7	-178.7	-82.8	178.8	170.2	171.2	-3.4	113.8	W5 Q10 Q11	W5-R7 PolarHBondContact O-N 2.7Å; R7-Q10 PolarHBondContact O-N 3.07Å; R7-Q11 PolarHBondContact O-N 3.03Å
8	W	61.5	Low	69.8	Low	188 Å²	188	153.6 Å²	153.6	71%	0.712	69%	0.691	S	S	*	*	H	α-helix	trans	-64.8	-36.7	177.4	-83	93.4	0	0	0	114.5	P6 Q11 K12	P6-W8 PolarHBondContact O-N 2.88Å; W8-Q11 PolarHBondContact O-N 3.05Å; W8-K12 PolarHBondContact O-N 2.75Å
9	Q	65.7	Low	70.9	Confident	99 Å²	99	152.7 Å²	152.7	46%	0.463	69%	0.686	S	S	.	*	H	α-helix	trans	-73.7	-32.1	176.8	-76.4	-176.9	-29.1	0	0	111.5	W5 P6 R13	W5-Q9 VanDerWaalsContact CD1-CB 3.43Å; P6-Q9 PolarHBondContact O-N 3.32Å; Q9-R13 WeakPolarHBondContact O-CB 3.18Å; Q9-R13 PolarHBondContact O-N 3.17Å; Q9-R13 VanDerWaalsContact O-N 3.12Å
10	Q	68.1	Low	72	Confident	103 Å²	103	146.7 Å²	146.7	48%	0.481	67%	0.669	S	S	.	*	H	α-helix	trans	-66.3	-39.8	171.5	-67.4	-175.1	-19.4	0	0	111.9	W5 P6 R7 R13 R14	W5-Q10 HydrophobicContact CB-CG 4.48Å; P6-Q10 PolarHBondContact O-N 3.19Å; R7-Q10 PolarHBondContact O-N 3.07Å; Q10-R13 PolarHBondContact O-N 3.49Å; Q10-R14 WeakPolarHBondContact O-CG 2.91Å; Q10-R14 PolarHBondContact O-N 3Å
11	Q	72.3	Confident	73.1	Confident	111 Å²	111	142.6 Å²	142.6	52%	0.519	66%	0.661	S	S	.	*	H	α-helix	trans	-66.9	-45.2	177.6	-171.1	172.7	-14.6	0	0	112.4	R7 W8 R13 R14 M15	R7-Q11 PolarHBondContact O-N 3.03Å; W8-Q11 PolarHBondContact O-N 3.05Å; Q11-R13 VanDerWaalsContact C-N 3.32Å; Q11-R13 PolarHBondContact O-N 3.2Å; Q11-R14 PolarHBondContact O-N 3.32Å; Q11-M15 WeakPolarHBondContact O-CG 3.21Å; Q11-M15 PolarHBondContact O-N 2.78Å
12	K	74.6	Confident	75.6	Confident	153 Å²	153	136.3 Å²	136.3	67%	0.665	63%	0.631	S	S	*	*	H	α-helix	trans	-59.3	-41.8	173.7	-76.5	-174.1	177.7	-175.3	0	112.3	W8 R14 M15 L16	W8-K12 PolarHBondContact O-N 2.75Å; K12-R14 VanDerWaalsContact C-N 3.34Å; K12-R14 PolarHBondContact O-N 3.3Å; K12-M15 PolarHBondContact O-N 3.14Å; K12-L16 WeakPolarHBondContact O-CB 3.4Å; K12-L16 PolarHBondContact O-N 2.74Å
13	R	78.2	Confident	77.8	Confident	173 Å²	173	127.5 Å²	127.5	65%	0.653	61%	0.605	S	S	*	*	H	α-helix	trans	-65.6	-35.1	177.2	-167.3	176.3	-177.6	-165.3	0.6	112.4	Q9 Q10 Q11 K17	Q9-R13 WeakPolarHBondContact O-CB 3.18Å; Q9-R13 PolarHBondContact O-N 3.17Å; Q9-R13 VanDerWaalsContact O-N 3.12Å; Q10-R13 PolarHBondContact O-N 3.49Å; Q11-R13 VanDerWaalsContact C-N 3.32Å; Q11-R13 PolarHBondContact O-N 3.2Å; R13-K17 VanDerWaalsContact O-CG 3.28Å; R13-K17 WeakPolarHBondContact O-CG 3.29Å; R13-K17 PolarHBondContact O-N 3.41Å
14	R	81.1	Confident	79.6	Confident	189 Å²	189	124.4 Å²	124.4	71%	0.713	59%	0.593	S	S	*	*	H	α-helix	trans	-67.3	-45.5	172.9	-78.9	179.3	170.7	-170.1	-3.1	111.9	Q10 Q11 K12 L16 K17 L18	Q10-R14 WeakPolarHBondContact O-CG 2.91Å; Q10-R14 PolarHBondContact O-N 3Å; Q11-R14 PolarHBondContact O-N 3.32Å; K12-R14 VanDerWaalsContact C-N 3.34Å; K12-R14 PolarHBondContact O-N 3.3Å; R14-L16 PolarHBondContact O-N 3.14Å; R14-K17 PolarHBondContact O-N 3.46Å; R14-L18 PolarHBondContact O-N 3.39Å
15	M	85.1	Confident	81.2	Confident	125 Å²	125	123.7 Å²	123.7	62%	0.616	58%	0.583	S	S	*	*	H	α-helix	trans	-61	-43	177.1	-70.3	-73.9	-74.4	0	0	112.1	Q11 K12 K17 L18 F19	Q11-M15 WeakPolarHBondContact O-CG 3.21Å; Q11-M15 PolarHBondContact O-N 2.78Å; K12-M15 PolarHBondContact O-N 3.14Å; M15-K17 VanDerWaalsContact C-N 3.34Å; M15-K17 PolarHBondContact O-N 3.36Å; M15-L18 PolarHBondContact O-N 2.78Å; M15-F19 WeakPolarHBondContact O-CB 3.14Å; M15-F19 PolarHBondContact O-N 2.88Å
16	L	86.8	Confident	82.8	Confident	128 Å²	128	117.3 Å²	117.3	67%	0.67	57%	0.57	S	S	*	*	H	α-helix	trans	-65.9	-36.8	178.6	-162.9	72.6	0	0	0	112.2	K12 R14 G20	K12-L16 WeakPolarHBondContact O-CB 3.4Å; K12-L16 PolarHBondContact O-N 2.74Å; R14-L16 PolarHBondContact O-N 3.14Å; L16-G20 PolarHBondContact O-N 2.84Å
17	K	87.7	Confident	84.1	Confident	136 Å²	136	118.7 Å²	118.7	59%	0.591	57%	0.572	S	S	*	*	H	α-helix	trans	-67.3	-41.6	174	-75	179.1	176.6	-165	0	112.3	R13 R14 M15 G20 A21	R13-K17 VanDerWaalsContact O-CG 3.28Å; R13-K17 WeakPolarHBondContact O-CG 3.29Å; R13-K17 PolarHBondContact O-N 3.41Å; R14-K17 PolarHBondContact O-N 3.46Å; M15-K17 VanDerWaalsContact C-N 3.34Å; M15-K17 PolarHBondContact O-N 3.36Å; K17-G20 PolarHBondContact O-N 2.95Å; K17-A21 WeakPolarHBondContact O-CB 3.37Å; K17-A21 PolarHBondContact O-N 2.9Å
18	L	91	Very high	85.5	Confident	109 Å²	109	110.5 Å²	110.5	57%	0.571	55%	0.551	S	S	*	*	H	α-helix	trans	-62	-45.9	174.7	-81.1	160	0	0	0	111.1	R14 M15 A21 L22	R14-L18 PolarHBondContact O-N 3.39Å; M15-L18 PolarHBondContact O-N 2.78Å; L18-A21 PolarHBondContact O-N 2.69Å; L18-L22 WeakPolarHBondContact O-CG 3.48Å; L18-L22 PolarHBondContact O-N 3.31Å
19	F	90.9	Very high	87.1	Confident	137 Å²	137	106.1 Å²	106.1	60%	0.601	54%	0.541	S	S	*	.	H	α-helix	trans	-60.5	-47.7	176	-179.1	-100.9	0	0	0	111.8	M15 A21 L22 V23	M15-F19 WeakPolarHBondContact O-CB 3.14Å; M15-F19 PolarHBondContact O-N 2.88Å; F19-A21 VanDerWaalsContact C-N 3.33Å; F19-A21 PolarHBondContact O-N 3.03Å; F19-L22 PolarHBondContact O-N 3.29Å; F19-V23 HydrophobicContact CD1-CG2 4.31Å; F19-V23 HydrophobicContact CE1-CG2 3.9Å; F19-V23 HydrophobicContact CE2-CG2 4.35Å; F19-V23 HydrophobicContact CZ-CG2 3.92Å; F19-V23 WeakPolarHBondContact O-CG2 3.44Å; F19-V23 PolarHBondContact O-N 3.4Å
20	G	93.2	Very high	88.3	Confident	33 Å²	33	103.9 Å²	103.9	34%	0.34	54%	0.54	S	S	.	.	H	α-helix	trans	-59.1	-42.1	175.8	0	0	0	0	0	112.9	L16 K17 V23 V24	L16-G20 PolarHBondContact O-N 2.84Å; K17-G20 PolarHBondContact O-N 2.95Å; G20-V23 PolarHBondContact O-N 2.84Å; G20-V24 WeakPolarHBondContact O-CG2 3.47Å; G20-V24 PolarHBondContact O-N 3.17Å
21	A	93.5	Very high	89.6	Confident	61 Å²	61	107 Å²	107	50%	0.504	55%	0.552	S	S	.	*	H	α-helix	trans	-63.6	-40.6	176.6	0	0	0	0	0	112.4	K17 L18 F19 V24 L25	K17-A21 WeakPolarHBondContact O-CB 3.37Å; K17-A21 PolarHBondContact O-N 2.9Å; L18-A21 PolarHBondContact O-N 2.69Å; F19-A21 VanDerWaalsContact C-N 3.33Å; F19-A21 PolarHBondContact O-N 3.03Å; A21-V24 PolarHBondContact O-N 3.46Å; A21-L25 WeakPolarHBondContact O-CB 3.42Å; A21-L25 PolarHBondContact O-N 2.81Å
22	L	94.3	Very high	90.6	Very high	116 Å²	116	106.4 Å²	106.4	61%	0.607	55%	0.551	S	S	*	*	H	α-helix	trans	-66	-39.1	176.7	-72.3	170.4	0	0	0	112.2	L18 F19 L25 G26	L18-L22 WeakPolarHBondContact O-CG 3.48Å; L18-L22 PolarHBondContact O-N 3.31Å; F19-L22 PolarHBondContact O-N 3.29Å; L22-L25 PolarHBondContact O-N 2.92Å; L22-G26 PolarHBondContact O-N 3.04Å
23	V	94.1	Very high	91.3	Very high	67 Å²	67	102.9 Å²	102.9	41%	0.406	54%	0.543	S	S	.	.	H	α-helix	trans	-64.3	-46.4	175.5	172.5	0	0	0	0	110.7	F19 G20 L25 G26 L27	F19-V23 HydrophobicContact CD1-CG2 4.31Å; F19-V23 HydrophobicContact CE1-CG2 3.9Å; F19-V23 HydrophobicContact CE2-CG2 4.35Å; F19-V23 HydrophobicContact CZ-CG2 3.92Å; F19-V23 WeakPolarHBondContact O-CG2 3.44Å; F19-V23 PolarHBondContact O-N 3.4Å; G20-V23 PolarHBondContact O-N 2.84Å; V23-L25 PolarHBondContact O-N 3.36Å; V23-G26 PolarHBondContact O-N 3.46Å; V23-L27 HydrophobicContact CG1-CD1 4.1Å; V23-L27 WeakPolarHBondContact O-CG 3.24Å; V23-L27 PolarHBondContact O-N 2.84Å
24	V	95.4	Very high	91.5	Very high	98 Å²	98	98.2 Å²	98.2	59%	0.594	54%	0.537	S	S	*	.	H	α-helix	trans	-63	-42.4	178	173.3	0	0	0	0	111.2	G20 A21 L27 A28	G20-V24 WeakPolarHBondContact O-CG2 3.47Å; G20-V24 PolarHBondContact O-N 3.17Å; A21-V24 PolarHBondContact O-N 3.46Å; V24-L27 PolarHBondContact O-N 3.28Å; V24-A28 WeakPolarHBondContact O-CB 2.97Å; V24-A28 PolarHBondContact O-N 2.81Å
25	L	95.9	Very high	91.7	Very high	103 Å²	103	97.6 Å²	97.6	54%	0.539	54%	0.535	S	S	.	.	H	α-helix	trans	-62.1	-43.2	175.4	-177.5	69.5	0	0	0	111.6	A21 L22 V23 A28 L29	A21-L25 WeakPolarHBondContact O-CB 3.42Å; A21-L25 PolarHBondContact O-N 2.81Å; L22-L25 PolarHBondContact O-N 2.92Å; V23-L25 PolarHBondContact O-N 3.36Å; L25-A28 PolarHBondContact O-N 3Å; L25-L29 HydrophobicContact CG-CD1 4.14Å; L25-L29 WeakPolarHBondContact O-CB 3.48Å; L25-L29 WeakPolarHBondContact O-CG 3.26Å; L25-L29 PolarHBondContact O-N 2.8Å
26	G	95.3	Very high	91.6	Very high	38 Å²	38	94.2 Å²	94.2	39%	0.392	52%	0.521	S	S	.	.	H	α-helix	trans	-61.8	-43.1	176.3	0	0	0	0	0	112.7	L22 V23 L29 A30	L22-G26 PolarHBondContact O-N 3.04Å; V23-G26 PolarHBondContact O-N 3.46Å; G26-L29 PolarHBondContact O-N 3.33Å; G26-A30 WeakPolarHBondContact O-CB 3.14Å; G26-A30 PolarHBondContact O-N 3.43Å
27	L	95.6	Very high	91.2	Very high	108 Å²	108	94 Å²	94	57%	0.565	52%	0.52	S	S	*	.	H	α-helix	trans	-65.4	-40.5	175.5	-71.6	172.2	0	0	0	112.1	V23 V24 A30 F31	V23-L27 HydrophobicContact CG1-CD1 4.1Å; V23-L27 WeakPolarHBondContact O-CG 3.24Å; V23-L27 PolarHBondContact O-N 2.84Å; V24-L27 PolarHBondContact O-N 3.28Å; L27-A30 PolarHBondContact O-N 2.79Å; L27-F31 WeakPolarHBondContact O-CB 3.35Å; L27-F31 PolarHBondContact O-N 2.84Å
28	A	95.4	Very high	90.6	Very high	45 Å²	45	93 Å²	93	37%	0.372	52%	0.521	S	S	.	.	H	α-helix	trans	-64	-43.6	176.2	0	0	0	0	0	111.5	V24 L25 F31 I32	V24-A28 WeakPolarHBondContact O-CB 2.97Å; V24-A28 PolarHBondContact O-N 2.81Å; L25-A28 PolarHBondContact O-N 3Å; A28-F31 PolarHBondContact O-N 3.05Å; A28-I32 VanDerWaalsContact O-CG1 3.27Å; A28-I32 WeakPolarHBondContact O-CG1 3.43Å; A28-I32 PolarHBondContact O-N 3.47Å
29	L	95.4	Very high	89.7	Confident	97 Å²	97	90.6 Å²	90.6	51%	0.508	51%	0.513	S	S	.	.	H	α-helix	trans	-61.2	-45.2	174.6	-77.2	164.9	0	0	0	111.4	L25 G26 F31 I32 T33	L25-L29 HydrophobicContact CG-CD1 4.14Å; L25-L29 WeakPolarHBondContact O-CB 3.48Å; L25-L29 WeakPolarHBondContact O-CG 3.26Å; L25-L29 PolarHBondContact O-N 2.8Å; G26-L29 PolarHBondContact O-N 3.33Å; L29-F31 VanDerWaalsContact C-N 3.34Å; L29-F31 PolarHBondContact O-N 2.88Å; L29-I32 PolarHBondContact O-N 2.83Å; L29-T33 WeakPolarHBondContact O-CG2 3.28Å; L29-T33 PolarHBondContact O-N 2.95Å; L29-T33 PolarHBondContact O-OG1 2.7Å; L29-T33 VanDerWaalsContact O-OG1 3.14Å
30	A	91.3	Very high	88.5	Confident	52 Å²	52	93 Å²	93	43%	0.43	52%	0.519	S	S	.	.	H	α-helix	trans	-59.4	-44.3	176.2	0	0	0	0	0	111.9	G26 L27 T33 S34	G26-A30 WeakPolarHBondContact O-CB 3.14Å; G26-A30 PolarHBondContact O-N 3.43Å; L27-A30 PolarHBondContact O-N 2.79Å; A30-T33 VanDerWaalsContact CA-OG1 3.32Å; A30-T33 WeakPolarHBondContact CA-OG1 3.32Å; A30-T33 PolarHBondContact O-N 3.24Å; A30-T33 PolarHBondContact O-OG1 3.41Å; A30-S34 WeakPolarHBondContact O-CB 3.41Å; A30-S34 PolarHBondContact O-N 2.83Å
31	F	93.9	Very high	86.5	Confident	167 Å²	167	97 Å²	97	73%	0.732	53%	0.533	S	S	*	.	H	α-helix	trans	-60.5	-46.2	175.5	-116.4	-83.7	0	0	0	112.2	L27 A28 L29 S34 W35	L27-F31 WeakPolarHBondContact O-CB 3.35Å; L27-F31 PolarHBondContact O-N 2.84Å; A28-F31 PolarHBondContact O-N 3.05Å; L29-F31 VanDerWaalsContact C-N 3.34Å; L29-F31 PolarHBondContact O-N 2.88Å; F31-S34 PolarHBondContact O-N 2.73Å; F31-W35 WeakPolarHBondContact O-CB 3.36Å; F31-W35 PolarHBondContact O-N 2.99Å
32	I	93.4	Very high	84.3	Confident	99 Å²	99	99.4 Å²	99.4	51%	0.508	54%	0.542	S	S	.	.	H	α-helix	trans	-63.2	-44.7	177.5	-67.6	164.5	0	0	0	110.1	A28 L29 S34 W35 V36	A28-I32 VanDerWaalsContact O-CG1 3.27Å; A28-I32 WeakPolarHBondContact O-CG1 3.43Å; A28-I32 PolarHBondContact O-N 3.47Å; L29-I32 PolarHBondContact O-N 2.83Å; I32-S34 VanDerWaalsContact C-N 3.33Å; I32-S34 PolarHBondContact O-N 3.11Å; I32-W35 PolarHBondContact O-N 3.26Å; I32-V36 HydrophobicContact CG2-CG2 4.26Å; I32-V36 WeakPolarHBondContact O-CB 3.43Å; I32-V36 VanDerWaalsContact O-CG2 3.23Å; I32-V36 WeakPolarHBondContact O-CG2 3.37Å; I32-V36 PolarHBondContact O-N 3.29Å
33	T	89.6	Confident	82.1	Confident	80 Å²	80	96.9 Å²	96.9	49%	0.491	54%	0.537	S	S	.	.	H	α-helix	trans	-63.4	-39.1	177.6	53.6	0	0	0	0	112.3	L29 A30 V36 L37	L29-T33 WeakPolarHBondContact O-CG2 3.28Å; L29-T33 PolarHBondContact O-N 2.95Å; L29-T33 PolarHBondContact O-OG1 2.7Å; L29-T33 VanDerWaalsContact O-OG1 3.14Å; A30-T33 VanDerWaalsContact CA-OG1 3.32Å; A30-T33 WeakPolarHBondContact CA-OG1 3.32Å; A30-T33 PolarHBondContact O-N 3.24Å; A30-T33 PolarHBondContact O-OG1 3.41Å; T33-V36 PolarHBondContact O-N 2.9Å; T33-L37 WeakPolarHBondContact O-CB 3.29Å; T33-L37 VanDerWaalsContact O-CG 3.28Å; T33-L37 WeakPolarHBondContact O-CG 3.43Å; T33-L37 PolarHBondContact O-N 2.71Å
34	S	81.9	Confident	79.4	Confident	75 Å²	75	104.3 Å²	104.3	52%	0.524	56%	0.558	S	S	.	*	H	α-helix	trans	-65.5	-43.3	175.9	-171.3	0	0	0	0	111.2	A30 F31 I32 L37 D38	A30-S34 WeakPolarHBondContact O-CB 3.41Å; A30-S34 PolarHBondContact O-N 2.83Å; F31-S34 PolarHBondContact O-N 2.73Å; I32-S34 VanDerWaalsContact C-N 3.33Å; I32-S34 PolarHBondContact O-N 3.11Å; S34-L37 PolarHBondContact O-N 3.05Å; S34-D38 WeakPolarHBondContact O-CB 3.29Å; S34-D38 PolarHBondContact O-N 2.92Å
35	W	85.7	Confident	77.1	Confident	175 Å²	175	107.2 Å²	107.2	66%	0.663	57%	0.565	S	S	*	*	H	α-helix	trans	-66.2	-40	177.4	-179.6	71.2	0	0	0	112	F31 I32 D38 S39	F31-W35 WeakPolarHBondContact O-CB 3.36Å; F31-W35 PolarHBondContact O-N 2.99Å; I32-W35 PolarHBondContact O-N 3.26Å; W35-D38 PolarHBondContact O-N 2.89Å; W35-S39 WeakPolarHBondContact O-CB 3.43Å; W35-S39 PolarHBondContact O-N 3.32Å; W35-S39 PolarHBondContact O-OG 3.32Å
36	V	83.6	Confident	74.3	Confident	54 Å²	54	107 Å²	107	33%	0.327	57%	0.57	S	S	.	*	H	α-helix	trans	-61.6	-49.3	173.7	169.8	0	0	0	0	109.8	I32 T33 D38 S39 Y40	I32-V36 HydrophobicContact CG2-CG2 4.26Å; I32-V36 WeakPolarHBondContact O-CB 3.43Å; I32-V36 VanDerWaalsContact O-CG2 3.23Å; I32-V36 WeakPolarHBondContact O-CG2 3.37Å; I32-V36 PolarHBondContact O-N 3.29Å; T33-V36 PolarHBondContact O-N 2.9Å; V36-D38 VanDerWaalsContact C-N 3.35Å; V36-D38 PolarHBondContact O-N 3.38Å; V36-S39 WeakPolarHBondContact CA-OG 3.27Å; V36-S39 PolarHBondContact O-N 2.9Å; V36-S39 VanDerWaalsContact O-N 3.17Å; V36-S39 PolarHBondContact O-OG 3.34Å; V36-Y40 HydrophobicContact CG1-CD2 3.64Å; V36-Y40 HydrophobicContact CG1-CE2 3.66Å; V36-Y40 WeakPolarHBondContact O-CD2 3.28Å; V36-Y40 PolarHBondContact O-N 2.84Å
37	L	77.4	Confident	71.4	Confident	124 Å²	124	115.3 Å²	115.3	65%	0.649	60%	0.595	S	S	*	*	H	α-helix	trans	-58.7	-43.5	176.9	-74.8	167.4	0	0	0	112.3	T33 S34 Y40 D41	T33-L37 WeakPolarHBondContact O-CB 3.29Å; T33-L37 VanDerWaalsContact O-CG 3.28Å; T33-L37 WeakPolarHBondContact O-CG 3.43Å; T33-L37 PolarHBondContact O-N 2.71Å; S34-L37 PolarHBondContact O-N 3.05Å; L37-Y40 CarbonylContact O-C 3.48Å; L37-Y40 PolarHBondContact O-N 3.31Å; L37-D41 WeakPolarHBondContact O-CB 3.28Å; L37-D41 PolarHBondContact O-N 3.01Å
38	D	74.9	Confident	68.6	Low	116 Å²	116	121 Å²	121	62%	0.62	61%	0.609	S	S	*	*	H	α-helix	trans	-64.8	-37.4	176	-166.7	55.5	0	0	0	112.1	S34 W35 V36 Y40 D41	S34-D38 WeakPolarHBondContact O-CB 3.29Å; S34-D38 PolarHBondContact O-N 2.92Å; W35-D38 PolarHBondContact O-N 2.89Å; V36-D38 VanDerWaalsContact C-N 3.35Å; V36-D38 PolarHBondContact O-N 3.38Å; D38-Y40 VanDerWaalsContact C-N 3.31Å; D38-Y40 PolarHBondContact O-N 3.44Å; D38-D41 CarbonylContact O-C 3.52Å; D38-D41 PolarHBondContact O-N 2.87Å
39	S	72.9	Confident	66	Low	57 Å²	57	123.8 Å²	123.8	40%	0.399	63%	0.626	S	S	.	*	H	α-helix	trans	-71.6	-24.1	175.7	73.3	0	0	0	0	113.7	W35 V36 T42	W35-S39 WeakPolarHBondContact O-CB 3.43Å; W35-S39 PolarHBondContact O-N 3.32Å; W35-S39 PolarHBondContact O-OG 3.32Å; V36-S39 WeakPolarHBondContact CA-OG 3.27Å; V36-S39 PolarHBondContact O-N 2.9Å; V36-S39 VanDerWaalsContact O-N 3.17Å; V36-S39 PolarHBondContact O-OG 3.34Å; S39-T42 WeakPolarHBondContact O-CG2 3.42Å
40	Y	65.3	Low	63.4	Low	188 Å²	188	125.6 Å²	125.6	74%	0.737	64%	0.635	S	S	*	*	H	α-helix	trans	-87.7	-23.5	171.5	-83.6	-74.9	0	0	0	112.3	V36 L37 D38 T42	V36-Y40 HydrophobicContact CG1-CD2 3.64Å; V36-Y40 HydrophobicContact CG1-CE2 3.66Å; V36-Y40 WeakPolarHBondContact O-CD2 3.28Å; V36-Y40 PolarHBondContact O-N 2.84Å; L37-Y40 CarbonylContact O-C 3.48Å; L37-Y40 PolarHBondContact O-N 3.31Å; D38-Y40 VanDerWaalsContact C-N 3.31Å; D38-Y40 PolarHBondContact O-N 3.44Å; Y40-T42 PolarHBondContact O-N 3.29Å
41	D	52.5	Low	60.8	Low	118 Å²	118	134 Å²	134	63%	0.631	66%	0.655	S	S	*	*			trans	-78.1	57.2	168.9	-155.2	1.6	0	0	0	109.9	L37 D38 A43	L37-D41 WeakPolarHBondContact O-CB 3.28Å; L37-D41 PolarHBondContact O-N 3.01Å; D38-D41 CarbonylContact O-C 3.52Å; D38-D41 PolarHBondContact O-N 2.87Å; D41-A43 PolarHBondContact O-N 3.15Å
42	T	47.3	Very low	58.2	Low	111 Å²	111	133.9 Å²	133.9	68%	0.681	66%	0.657	S	S	*	*			trans	-71.5	75.9	167	55.9	0	0	0	0	108.4	S39 Y40 W44	S39-T42 WeakPolarHBondContact O-CG2 3.42Å; Y40-T42 PolarHBondContact O-N 3.29Å; T42-W44 PolarHBondContact O-N 2.81Å
43	A	46.2	Very low	55.8	Low	62 Å²	62	135.2 Å²	135.2	51%	0.512	67%	0.672	S	S	.	*			trans	-67	63.8	158.1	0	0	0	0	0	108.9	D41 H45	D41-A43 PolarHBondContact O-N 3.15Å; A43-H45 VanDerWaalsContact C-N 3.28Å; A43-H45 PolarHBondContact O-N 2.9Å
44	W	38	Very low	53.4	Low	223 Å²	223	137.1 Å²	137.1	85%	0.845	69%	0.688	S	S	*	*			trans	-69.4	91.6	166.2	-175.4	-91.3	0	0	0	107.3	T42 P46	T42-W44 PolarHBondContact O-N 2.81Å; W44-P46 WeakPolarHBondContact O-CD 3.36Å
45	H	46.4	Very low	51.6	Low	160 Å²	160	138.1 Å²	138.1	74%	0.741	70%	0.701	S	S	*	*			trans	-88	104.6	167.5	-68.3	-69.7	0	0	0	108.6	A43 K47	A43-H45 VanDerWaalsContact C-N 3.28Å; A43-H45 PolarHBondContact O-N 2.9Å; H45-K47 PolarHBondContact O-N 3.34Å; H45-K47 VanDerWaalsContact O-N 3.14Å
46	P	37.2	Very low	49.5	Very low	98 Å²	98	135.3 Å²	135.3	64%	0.636	71%	0.708	S	S	*	*			trans	-61.2	122.2	159.9	25.1	-28.2	0	0	0	106.5	W44 R48	W44-P46 WeakPolarHBondContact O-CD 3.36Å; P46-R48 PolarHBondContact O-N 3.36Å
47	K	35.3	Very low	47.6	Very low	212 Å²	212	139.4 Å²	139.4	92%	0.922	73%	0.728	S	S	*	*			trans	-57.2	93.7	168.7	-77.7	-176	177.6	179.8	0	107.6	H45 S49	H45-K47 PolarHBondContact O-N 3.34Å; H45-K47 VanDerWaalsContact O-N 3.14Å; K47-S49 PolarHBondContact O-N 2.93Å
48	R	37.6	Very low	46	Very low	229 Å²	229	136.4 Å²	136.4	86%	0.864	73%	0.727	S	S	*	*			trans	-72.8	100	172.3	-165	174.2	-175.8	175.6	0.1	106	P46 I50	P46-R48 PolarHBondContact O-N 3.36Å; R48-I50 PolarHBondContact O-N 2.94Å
49	S	39.2	Very low	45	Very low	103 Å²	103	139.6 Å²	139.6	72%	0.72	74%	0.744	S	S	*	*			trans	-58.9	108.3	166.6	59.5	0	0	0	0	107.4	K47 R51	K47-S49 PolarHBondContact O-N 2.93Å; S49-R51 PolarHBondContact O-N 3.37Å
50	I	41.9	Very low	43.9	Very low	135 Å²	135	138.8 Å²	138.8	69%	0.692	75%	0.745	S	S	*	*			trans	-67.7	104.2	170.3	-61.3	177.7	0	0	0	105.8	R48 H52	R48-I50 PolarHBondContact O-N 2.94Å; I50-H52 PolarHBondContact O-N 3.1Å
51	R	35.6	Very low	43	Very low	229 Å²	229	136.7 Å²	136.7	86%	0.864	75%	0.754	S	S	*	*			trans	-68.3	109.8	164.6	-105.5	-177.5	175.6	-170.7	-1.6	106.5	S49 P53	S49-R51 PolarHBondContact O-N 3.37Å; R51-P53 WeakPolarHBondContact O-CD 3.19Å
52	H	40.3	Very low	43	Very low	164 Å²	164	138.9 Å²	138.9	76%	0.759	76%	0.758	S	S	*	*			trans	-62.3	124.6	164.1	-75.5	-79.2	0	0	0	108.5	I50 S54	I50-H52 PolarHBondContact O-N 3.1Å; H52-S54 PolarHBondContact O-N 2.81Å; H52-S54 VanDerWaalsContact O-N 3.17Å
53	P	41.9	Very low	43.3	Very low	127 Å²	127	136.8 Å²	136.8	83%	0.825	76%	0.759	S	S	*	*			trans	-65.9	114	163.6	-11.7	27.1	0	0	0	107.3	R51 A55	R51-P53 WeakPolarHBondContact O-CD 3.19Å; P53-A55 PolarHBondContact O-N 2.93Å
54	S	40.8	Very low	44	Very low	119 Å²	119	139 Å²	139	83%	0.832	77%	0.771	S	S	*	*			trans	-63.8	102.4	165.5	47	0	0	0	0	108.2	H52 S56	H52-S54 PolarHBondContact O-N 2.81Å; H52-S54 VanDerWaalsContact O-N 3.17Å; S54-S56 PolarHBondContact O-N 3.35Å
55	A	44.6	Very low	45.3	Very low	97 Å²	97	132.8 Å²	132.8	80%	0.802	76%	0.761	S	S	*	*			trans	-72.6	123.2	166	0	0	0	0	0	108.2	P53	P53-A55 PolarHBondContact O-N 2.93Å
56	S	41.6	Very low	46.2	Very low	116 Å²	116	129.6 Å²	129.6	81%	0.811	76%	0.755	S	S	*	*			trans	-55.6	137.4	-176.5	50.4	0	0	0	0	113.9	S54 G58	S54-S56 PolarHBondContact O-N 3.35Å; S56-G58 PolarHBondContact O-N 3.05Å
57	D	43.2	Very low	47.8	Very low	140 Å²	140	127.2 Å²	127.2	75%	0.749	74%	0.739	S	S	*	*			trans	-59.9	115.8	168.8	-77.3	-57.4	0	0	0	111.9	K62	D57-K62 IonicContact OD1-NZ 2.7Å; D57-K62 PolarHBondContact OD1-NZ 3.43Å
58	G	42.9	Very low	50.1	Low	61 Å²	61	122.9 Å²	122.9	63%	0.629	72%	0.72	S	S	*	*			trans	-114.8	131.1	160.7	0	0	0	0	0	109.2	S56	S56-G58 PolarHBondContact O-N 3.05Å
59	D	53.7	Low	52.4	Low	182 Å²	182	116.5 Å²	116.5	97%	0.973	71%	0.709	S	S	*	*			trans	-76.4	124.3	-167.5	-162.2	20.4	0	0	0	112.8
60	G	49.7	Very low	54.4	Low	40 Å²	40	113.8 Å²	113.8	41%	0.412	70%	0.697	S	S	.	*	S	Bend	trans	167.5	156.7	-178.6	0	0	0	0	0	111	K62	G60-K62 PolarHBondContact O-N 3.31Å
61	P	46.9	Very low	56.6	Low	144 Å²	144	115.5 Å²	115.5	94%	0.935	71%	0.708	S	S	*	*			trans	-59.4	107.5	-171.6	14.6	-18.4	0	0	0	111.4	G63	P61-G63 PolarHBondContact O-N 3.17Å
62	K	53.1	Low	59.2	Low	164 Å²	164	110.1 Å²	110.1	71%	0.713	69%	0.692	S	S	*	*			trans	-77	93.3	-173.5	-75.4	179.6	172.9	-179.7	0	110.8	D57 G60	D57-K62 IonicContact OD1-NZ 2.7Å; D57-K62 PolarHBondContact OD1-NZ 3.43Å; G60-K62 PolarHBondContact O-N 3.31Å
63	G	53.4	Low	61.4	Low	68 Å²	68	108.9 Å²	108.9	70%	0.701	69%	0.691	S	S	*	*			trans	-141.4	6.3	177.1	0	0	0	0	0	117.8	P61	P61-G63 PolarHBondContact O-N 3.17Å
64	S	60.6	Low	63.5	Low	108 Å²	108	107 Å²	107	76%	0.755	67%	0.673	S	S	*	*			trans	178.2	104.6	-174.7	41.7	0	0	0	0	115.6
65	S	65.5	Low	66	Low	93 Å²	93	103.5 Å²	103.5	65%	0.65	65%	0.646	S	S	*	*			trans	-169.7	143.6	168.7	50.3	0	0	0	0	108.4	F68	S65-F68 WeakPolarHBondContact O-CE2 3.4Å; S65-F68 WeakPolarHBondContact O-CZ 3.41Å
66	P	65.3	Low	68.2	Low	93 Å²	93	102 Å²	102	60%	0.604	62%	0.623	S	S	*	*	S	Bend	cis	-75.3	-164.9	-18.3	-17.8	37.2	0	0	0	113.8	F68	P66-F68 WeakPolarHBondContact O-CD2 3.23Å; P66-F68 VanDerWaalsContact O-CG 3.29Å; P66-F68 WeakPolarHBondContact O-CG 3.09Å; P66-F68 PolarHBondContact O-N 2.85Å
67	P	71.8	Confident	70.7	Confident	47 Å²	47	98.7 Å²	98.7	31%	0.305	59%	0.594	S	S	.	*			trans	-64.3	95.2	-164	32.7	-42	0	0	0	111.7	F199	P67-F199 HydrophobicContact CB-CB 3.99Å; P67-F199 HydrophobicContact CB-CD2 4.01Å; P67-F199 HydrophobicContact CB-CG 4.48Å; P67-F199 WeakPolarHBondContact CB-O 3.35Å; P67-F199 HydrophobicContact CG-CD2 4.39Å; P67-F199 WeakPolarHBondContact CG-O 3.39Å
68	F	82.7	Confident	73.2	Confident	121 Å²	121	98.2 Å²	98.2	53%	0.531	58%	0.582	S	S	.	*			trans	-89.7	144.9	174.8	-59.4	-51.3	0	0	0	109.3	S65 P66 G70 N75	S65-F68 WeakPolarHBondContact O-CE2 3.4Å; S65-F68 WeakPolarHBondContact O-CZ 3.41Å; P66-F68 WeakPolarHBondContact O-CD2 3.23Å; P66-F68 VanDerWaalsContact O-CG 3.29Å; P66-F68 WeakPolarHBondContact O-CG 3.09Å; P66-F68 PolarHBondContact O-N 2.85Å; F68-G70 PolarHBondContact O-N 2.82Å; F68-N75 WeakPolarHBondContact O-CB 3.49Å; F68-N75 PolarHBondContact O-ND2 3.47Å
69	P	84.9	Confident	75.8	Confident	95 Å²	95	99.8 Å²	99.8	62%	0.617	57%	0.572	S	S	*	*			trans	-51.9	128.9	165.8	-26.2	35.7	0	0	0	110.3	I76	P69-I76 HydrophobicContact CB-CD1 3.96Å; P69-I76 HydrophobicContact CB-CG1 3.87Å; P69-I76 HydrophobicContact CG-CG1 4.38Å
70	G	83.1	Confident	77.9	Confident	47 Å²	47	92.1 Å²	92.1	49%	0.485	53%	0.532	S	S	.	.			trans	-108.3	-159.1	173.9	0	0	0	0	0	111.6	F68	F68-G70 PolarHBondContact O-N 2.82Å
71	D	87.4	Confident	80.2	Confident	170 Å²	170	96.1 Å²	96.1	91%	0.909	54%	0.54	S	S	*	.	S	Bend	trans	-78.4	-8	168.9	58.6	-18	0	0	0	113.2
72	E	89.2	Confident	82.6	Confident	116 Å²	116	90.6 Å²	90.6	54%	0.542	50%	0.503	S	S	.	.	S	Bend	trans	-103	160.8	173.2	-63.6	-169.9	179.3	0	0	113.3	N74	E72-N74 HydrophobicContact CB-CB 4.48Å; E72-N74 PolarHBondContact O-N 2.79Å; E72-N74 PolarHBondContact OE2-ND2 3.17Å
73	L	86.7	Confident	84.8	Confident	139 Å²	139	84.9 Å²	84.9	73%	0.728	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-81.4	1.6	176.5	-62.2	178.6	0	0	0	114	N75 I76	L73-N75 VanDerWaalsContact C-N 3.31Å; L73-N75 PolarHBondContact O-N 3Å; L73-I76 PolarHBondContact O-N 3.3Å
74	N	87.3	Confident	86.9	Confident	86 Å²	86	85.5 Å²	85.5	46%	0.46	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-72.4	-19	-169.9	62.8	4.5	0	0	0	114.4	E72 F199	E72-N74 HydrophobicContact CB-CB 4.48Å; E72-N74 PolarHBondContact O-N 2.79Å; E72-N74 PolarHBondContact OE2-ND2 3.17Å; N74-F199 WeakPolarHBondContact O-CD1 3.47Å; N74-F199 VanDerWaalsContact O-CE1 3.26Å; N74-F199 WeakPolarHBondContact O-CE1 3.22Å
75	N	91.7	Very high	88.7	Confident	47 Å²	47	81 Å²	81	25%	0.251	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-120.7	25.2	178.5	-67.3	-21	0	0	0	112.5	F68 L73 F199	F68-N75 WeakPolarHBondContact O-CB 3.49Å; F68-N75 PolarHBondContact O-ND2 3.47Å; L73-N75 VanDerWaalsContact C-N 3.31Å; L73-N75 PolarHBondContact O-N 3Å; N75-F199 VanDerWaalsContact C-CE2 3.45Å; N75-F199 VanDerWaalsContact C-CZ 3.5Å; N75-F199 HydrophobicContact CB-CD2 4.27Å; N75-F199 HydrophobicContact CB-CG 4.41Å; N75-F199 WeakPolarHBondContact O-CE2 3.33Å; N75-F199 VanDerWaalsContact OD1-CB 3.28Å; N75-F199 WeakPolarHBondContact OD1-CB 3.09Å
76	I	91.4	Very high	90.2	Very high	64 Å²	64	77.5 Å²	77.5	33%	0.328	41%	0.412	S	S	.	.			trans	-129.3	137.1	-176.1	-57.6	175.5	0	0	0	109.5	P69 L73	P69-I76 HydrophobicContact CB-CD1 3.96Å; P69-I76 HydrophobicContact CB-CG1 3.87Å; P69-I76 HydrophobicContact CG-CG1 4.38Å; L73-I76 PolarHBondContact O-N 3.3Å
77	F	93.7	Very high	91.8	Very high	47 Å²	47	73.1 Å²	73.1	21%	0.206	38%	0.383	C	S	.	.			trans	-138.9	163.8	162	74.9	-82.7	0	0	0	108.3	F79 A113 L114 H195 T197 F199 Y202 F204	F77-F79 HydrophobicContact CE2-CD1 4.17Å; F77-A113 HydrophobicContact CB-CB 4.49Å; F77-A113 HydrophobicContact CD2-CB 3.75Å; F77-L114 HydrophobicContact CE2-CD2 4.49Å; F77-H195 AromaticContact CE2-CD2 3.98Å; F77-T197 HydrophobicContact CD1-CG2 4.23Å; F77-F199 HydrophobicContact CD1-CE2 4.3Å; F77-F199 HydrophobicContact CD1-CZ 4.12Å; F77-Y202 HydrophobicContact CD1-CD2 4.38Å; F77-Y202 HydrophobicContact CD1-CE2 4.17Å; F77-Y202 AromaticContact CE1-CD1 3.73Å; F77-Y202 HydrophobicContact CE1-CD1 3.73Å; F77-Y202 AromaticContact CE1-CD2 3.49Å; F77-Y202 HydrophobicContact CE1-CD2 3.49Å; F77-Y202 VanDerWaalsContact CE1-CD2 3.49Å; F77-Y202 AromaticContact CE1-CE1 3.79Å; F77-Y202 HydrophobicContact CE1-CE1 3.79Å; F77-Y202 AromaticContact CE1-CE2 3.56Å; F77-Y202 HydrophobicContact CE1-CE2 3.56Å; F77-Y202 AromaticContact CE1-CG 3.59Å; F77-Y202 HydrophobicContact CE1-CG 3.59Å; F77-Y202 AromaticContact CE1-CZ 3.71Å; F77-Y202 HydrophobicContact CZ-CD1 4.01Å; F77-Y202 HydrophobicContact CZ-CD2 4.04Å; F77-Y202 HydrophobicContact CZ-CE1 4.48Å; F77-Y202 AromaticContact CZ-CG 3.77Å; F77-Y202 HydrophobicContact CZ-CG 3.77Å; F77-F204 HydrophobicContact CE2-CZ 4.16Å; F77-F204 HydrophobicContact CZ-CZ 4.2Å
78	W	95.2	Very high	93.1	Very high	130 Å²	130	71.2 Å²	71.2	49%	0.492	37%	0.371	S	S	.	.			trans	-127.8	152.7	174.5	55.6	89.5	0	0	0	110.9	I110 K111 A113	W78-I110 PolarHBondContact NE1-O 3.18Å; W78-K111 PolarHBondContact NE1-O 2.81Å; W78-A113 PolarHBondContact O-N 3.09Å
79	F	97.6	Very high	93.7	Very high	94 Å²	94	72.2 Å²	72.2	41%	0.412	37%	0.372	S	S	.	.			trans	-130.3	161.7	173.3	66.8	-87.8	0	0	0	109	F77 L114 L116 F204	F77-F79 HydrophobicContact CE2-CD1 4.17Å; F79-L114 VanDerWaalsContact CA-O 3.28Å; F79-L114 WeakPolarHBondContact CA-O 3.24Å; F79-L114 HydrophobicContact CB-CD1 3.76Å; F79-L114 HydrophobicContact CB-CD2 4.42Å; F79-L114 HydrophobicContact CB-CG 3.64Å; F79-L114 VanDerWaalsContact CB-O 3.29Å; F79-L114 WeakPolarHBondContact CB-O 3.31Å; F79-L114 HydrophobicContact CD2-CD1 4.42Å; F79-L114 HydrophobicContact CG-CD1 4.25Å; F79-L116 HydrophobicContact CD2-CD1 3.94Å; F79-L116 HydrophobicContact CD2-CG 4.29Å; F79-L116 HydrophobicContact CE2-CD1 3.86Å; F79-F204 HydrophobicContact CD1-CE1 4.15Å; F79-F204 HydrophobicContact CD1-CZ 4.18Å; F79-F204 HydrophobicContact CD2-CE1 4.41Å; F79-F204 HydrophobicContact CE1-CE1 4.16Å; F79-F204 HydrophobicContact CE1-CZ 4.45Å; F79-F204 HydrophobicContact CE2-CE1 4.42Å; F79-F204 HydrophobicContact CG-CE1 4.28Å; F79-F204 HydrophobicContact CZ-CE1 4.29Å
80	V	98.6	Very high	94.3	Very high	22 Å²	22	70.9 Å²	70.9	13%	0.133	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	135.1	176.3	171.9	0	0	0	0	108.9	F102 I107 I110 P112 L114 V115 L116	V80-F102 HydrophobicContact CG1-CE2 4.25Å; V80-F102 HydrophobicContact CG1-CZ 3.8Å; V80-I107 HydrophobicContact CB-CD1 4.5Å; V80-I107 HydrophobicContact CG1-CD1 4.47Å; V80-I107 HydrophobicContact CG2-CD1 4.49Å; V80-I110 HydrophobicContact CG2-CD1 3.97Å; V80-I110 HydrophobicContact CG2-CG2 3.86Å; V80-P112 HydrophobicContact CB-CB 4.49Å; V80-P112 HydrophobicContact CB-CG 4.46Å; V80-P112 HydrophobicContact CG2-CB 3.94Å; V80-P112 HydrophobicContact CG2-CG 4.01Å; V80-L114 PolarHBondContact N-O 3.14Å; V80-V115 HydrophobicContact CB-CG1 4.5Å; V80-V115 HydrophobicContact CB-CG2 4.38Å; V80-V115 CarbonylContact O-C 3.57Å; V80-V115 VanDerWaalsContact O-CA 3.28Å; V80-V115 WeakPolarHBondContact O-CA 3.22Å; V80-L116 PolarHBondContact O-N 3.38Å
81	Q	98.1	Very high	94.8	Very high	124 Å²	124	70.6 Å²	70.6	58%	0.579	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	132.8	166.3	-174	-172.1	-8.3	0	0	109.2	L116 T118	Q81-L116 CarbonylContact C-O 3.49Å; Q81-L116 WeakPolarHBondContact CA-O 3.4Å; Q81-L116 HydrophobicContact CG-CB 4.41Å; Q81-T118 HydrophobicContact CG-CG2 3.78Å; Q81-T118 PolarHBondContact NE2-OG1 3.19Å
82	V	98.3	Very high	95.2	Very high	28 Å²	28	66.2 Å²	66.2	17%	0.17	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	143	171	62.3	0	0	0	0	108.3	I85 F102 V115 L116 A117 T118 W157	V82-I85 HydrophobicContact CG1-CD1 4.49Å; V82-I85 HydrophobicContact CG2-CG1 4.1Å; V82-F102 HydrophobicContact CB-CE1 4.33Å; V82-F102 HydrophobicContact CB-CZ 4.19Å; V82-F102 HydrophobicContact CG1-CE1 4.19Å; V82-F102 HydrophobicContact CG1-CZ 4.42Å; V82-F102 HydrophobicContact CG2-CE1 4.47Å; V82-V115 HydrophobicContact CG1-CG1 4.13Å; V82-L116 PolarHBondContact N-O 3.41Å; V82-L116 VanDerWaalsContact O-O 3.11Å; V82-A117 HydrophobicContact CG1-CB 3.98Å; V82-A117 CarbonylContact O-C 3.46Å; V82-A117 VanDerWaalsContact O-CA 3.23Å; V82-A117 WeakPolarHBondContact O-CA 3.27Å; V82-T118 PolarHBondContact O-N 3.1Å; V82-T118 PolarHBondContact O-OG1 2.88Å; V82-W157 HydrophobicContact CG1-CH2 4.41Å; V82-W157 HydrophobicContact CG1-CZ2 4.36Å
83	S	97.6	Very high	95.4	Very high	44 Å²	44	65.8 Å²	65.8	31%	0.308	33%	0.326	S	S	.	.			trans	-143.7	165.7	-179.3	-163.8	0	0	0	0	109.1	I85 T118	S83-I85 PolarHBondContact O-N 3.45Å; S83-T118 WeakPolarHBondContact CB-OG1 3.06Å; S83-T118 PolarHBondContact OG-OG1 3.02Å
84	D	97.7	Very high	95.9	Very high	80 Å²	80	66 Å²	66	43%	0.428	32%	0.321	S	S	.	.			trans	56.3	42.3	167	-66	-99.9	0	0	0	111.8	H86 R95 G119	D84-H86 VanDerWaalsContact C-CD2 3.48Å; D84-H86 VanDerWaalsContact CA-CD2 3.5Å; D84-H86 WeakPolarHBondContact CA-CD2 3.27Å; D84-H86 PolarHBondContact O-CD2 2.91Å; D84-H86 PolarHBondContact O-N 2.84Å; D84-H86 IonicContact OD1-CD2 3.37Å; D84-H86 IonicContact OD1-NE2 3.09Å; D84-H86 PolarHBondContact OD1-NE2 3.02Å; D84-R95 PolarHBondContact O-NH1 3.4Å; D84-G119 PolarHBondContact N-O 3.39Å
85	I	98.3	Very high	96.4	Very high	13 Å²	13	65.7 Å²	65.7	7%	0.067	31%	0.314	C	S	.	.			trans	-64	-32.3	176.8	-53.4	169.5	0	0	0	109	V82 S83 I87 R95 F99 D120 L121 Y142	V82-I85 HydrophobicContact CG1-CD1 4.49Å; V82-I85 HydrophobicContact CG2-CG1 4.1Å; S83-I85 PolarHBondContact O-N 3.45Å; I85-I87 VanDerWaalsContact C-N 3.29Å; I85-I87 HydrophobicContact CG2-CD1 4.22Å; I85-I87 HydrophobicContact CG2-CG1 3.91Å; I85-I87 PolarHBondContact O-N 3.16Å; I85-I87 VanDerWaalsContact O-N 3.17Å; I85-R95 WeakPolarHBondContact O-CD 3.49Å; I85-R95 PolarHBondContact O-NH1 3.44Å; I85-F99 HydrophobicContact CD1-CD2 4.1Å; I85-F99 HydrophobicContact CD1-CE2 3.55Å; I85-F99 HydrophobicContact CD1-CZ 3.92Å; I85-F99 HydrophobicContact CG1-CD2 4.48Å; I85-F99 HydrophobicContact CG1-CE2 4.37Å; I85-F99 HydrophobicContact CG2-CB 4.21Å; I85-F99 HydrophobicContact CG2-CD1 4.38Å; I85-F99 HydrophobicContact CG2-CD2 3.87Å; I85-F99 HydrophobicContact CG2-CE2 4.33Å; I85-F99 HydrophobicContact CG2-CG 3.9Å; I85-D120 PolarHBondContact N-O 2.99Å; I85-D120 VanDerWaalsContact N-O 3.1Å; I85-L121 HydrophobicContact CD1-CD2 4.04Å; I85-Y142 HydrophobicContact CD1-CD2 4.46Å; I85-Y142 HydrophobicContact CD1-CE2 3.89Å
86	H	98.2	Very high	96.6	Very high	20 Å²	20	65.9 Å²	65.9	9%	0.093	31%	0.314	C	S	.	.			trans	38	55.8	175.7	-69.4	-82.2	0	0	0	112.2	D84 S88 R95 D120 D123 H164	D84-H86 VanDerWaalsContact C-CD2 3.48Å; D84-H86 VanDerWaalsContact CA-CD2 3.5Å; D84-H86 WeakPolarHBondContact CA-CD2 3.27Å; D84-H86 PolarHBondContact O-CD2 2.91Å; D84-H86 PolarHBondContact O-N 2.84Å; D84-H86 IonicContact OD1-CD2 3.37Å; D84-H86 IonicContact OD1-NE2 3.09Å; D84-H86 PolarHBondContact OD1-NE2 3.02Å; H86-S88 PolarHBondContact O-N 3.44Å; H86-R95 VanDerWaalsContact O-CD 3.27Å; H86-R95 WeakPolarHBondContact O-CD 3.28Å; H86-D120 VanDerWaalsContact CE1-CB 3.43Å; H86-D120 WeakPolarHBondContact CE1-CB 2.91Å; H86-D120 IonicContact CE1-OD2 3.18Å; H86-D120 PolarHBondContact CE1-OD2 2.76Å; H86-D120 PolarHBondContact N-O 3.1Å; H86-D120 WeakPolarHBondContact NE2-CB 3.35Å; H86-D120 IonicContact NE2-OD2 3.95Å; H86-D120 PolarHBondContact NE2-OD2 2.74Å; H86-D123 HydrophobicContact CB-CB 4.1Å; H86-D123 IonicContact ND1-OD1 3.85Å; H86-H164 AromaticContact CE1-CD2 3.61Å; H86-H164 AromaticContact CE1-CE1 3.6Å; H86-H164 AromaticContact CE1-CG 3.56Å; H86-H164 AromaticContact CE1-ND1 3.52Å; H86-H164 AromaticContact CE1-NE2 3.71Å; H86-H164 AromaticContact ND1-CE1 3.81Å; H86-H164 AromaticContact ND1-CG 3.82Å; H86-H164 AromaticContact ND1-ND1 3.47Å; H86-H164 PolarHBondContact ND1-ND1 3.43Å
87	I	98.5	Very high	96.9	Very high	1 Å²	1	66 Å²	66	1%	0.005	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-59.9	117.9	172.8	-73.3	174.9	0	0	0	107.7	I85 I96 F99 L121 D123 E138 A141 Y142	I85-I87 VanDerWaalsContact C-N 3.29Å; I85-I87 HydrophobicContact CG2-CD1 4.22Å; I85-I87 HydrophobicContact CG2-CG1 3.91Å; I85-I87 PolarHBondContact O-N 3.16Å; I85-I87 VanDerWaalsContact O-N 3.17Å; I87-I96 HydrophobicContact CG1-CG1 4.29Å; I87-I96 HydrophobicContact CG2-CD1 4.07Å; I87-I96 HydrophobicContact CG2-CG1 3.85Å; I87-F99 HydrophobicContact CD1-CD1 4.03Å; I87-F99 HydrophobicContact CD1-CE1 4.5Å; I87-L121 PolarHBondContact N-O 3.38Å; I87-D123 PolarHBondContact O-N 3.21Å; I87-E138 HydrophobicContact CG2-CB 4.11Å; I87-E138 WeakPolarHBondContact O-CB 3.4Å; I87-E138 VanDerWaalsContact O-CD 3.22Å; I87-E138 WeakPolarHBondContact O-CG 3.35Å; I87-A141 HydrophobicContact CG2-CB 3.88Å; I87-Y142 VanDerWaalsContact CD1-CA 3.5Å; I87-Y142 HydrophobicContact CD1-CD2 4.13Å; I87-Y142 HydrophobicContact CD1-CG 4.45Å
88	S	97.9	Very high	97.1	Very high	8 Å²	8	68.3 Å²	68.3	6%	0.056	33%	0.333	C	S	.	.			trans	-122.5	135.2	-174.7	-173.6	0	0	0	0	109.8	H86 F90 H91 D123 E138	H86-S88 PolarHBondContact O-N 3.44Å; S88-F90 VanDerWaalsContact C-N 3.28Å; S88-F90 PolarHBondContact OG-N 3.14Å; S88-H91 WeakPolarHBondContact CB-O 3.4Å; S88-H91 PolarHBondContact OG-N 2.76Å; S88-D123 WeakPolarHBondContact CB-OD2 3.45Å; S88-D123 PolarHBondContact OG-OD2 3.05Å; S88-E138 WeakPolarHBondContact CA-OE1 3.48Å
89	R	96.8	Very high	97.3	Very high	142 Å²	142	62.6 Å²	62.6	54%	0.536	31%	0.312	S	S	.	.	S	Bend	trans	-77.7	-15.9	173.4	69.3	175.2	-68.9	-179.7	0.9	113.1	V137 E138	R89-V137 HydrophobicContact CB-CG2 4Å; R89-V137 HydrophobicContact CG-CG2 4.48Å; R89-E138 HydrophobicContact CB-CG 4.06Å; R89-E138 HydrophobicContact CG-CG 4.41Å; R89-E138 WeakPolarHBondContact CG-OE1 3.4Å; R89-E138 PolarHBondContact N-OE1 3.44Å
90	F	96.9	Very high	97.3	Very high	66 Å²	66	60.6 Å²	60.6	29%	0.289	30%	0.304	S	S	.	.	S	Bend	trans	-111.4	-26.7	-173.2	-59.2	-62.7	0	0	0	113	S88 K125 E127 H135	S88-F90 VanDerWaalsContact C-N 3.28Å; S88-F90 PolarHBondContact OG-N 3.14Å; F90-K125 WeakPolarHBondContact CD2-O 2.92Å; F90-K125 WeakPolarHBondContact CE2-O 3.07Å; F90-E127 HydrophobicContact CB-CB 4.29Å; F90-E127 HydrophobicContact CB-CG 4.34Å; F90-E127 HydrophobicContact CD1-CB 3.66Å; F90-E127 HydrophobicContact CD1-CG 3.95Å; F90-E127 HydrophobicContact CD2-CB 4.17Å; F90-E127 HydrophobicContact CE1-CB 3.94Å; F90-E127 HydrophobicContact CE2-CB 4.4Å; F90-E127 HydrophobicContact CG-CB 3.78Å; F90-E127 HydrophobicContact CG-CG 4.23Å; F90-E127 HydrophobicContact CZ-CB 4.29Å; F90-H135 AromaticContact CE2-CE1 3.97Å; F90-H135 AromaticContact CE2-NE2 3.53Å
91	H	94.4	Very high	97.3	Very high	41 Å²	41	65.4 Å²	65.4	19%	0.19	32%	0.323	C	S	.	.	S	Bend	trans	-129.7	150.2	-168.9	-56.7	-47.6	0	0	0	111.6	S88 D123 E127 K129	S88-H91 WeakPolarHBondContact CB-O 3.4Å; S88-H91 PolarHBondContact OG-N 2.76Å; H91-D123 IonicContact CD2-OD2 2.96Å; H91-E127 PolarHBondContact CE1-O 2.82Å; H91-E127 PolarHBondContact NE2-O 2.92Å; H91-K129 WeakPolarHBondContact CD2-CE 3.45Å; H91-K129 WeakPolarHBondContact CE1-CE 3.33Å; H91-K129 WeakPolarHBondContact NE2-CE 3.38Å; H91-K129 VanDerWaalsContact NE2-CG 3.26Å; H91-K129 WeakPolarHBondContact NE2-CG 3.17Å
92	D	94.9	Very high	97.4	Very high	78 Å²	78	61.4 Å²	61.4	42%	0.417	30%	0.304	S	S	.	.			trans	47	62.8	173	-164.5	4.2	0	0	0	113.3	K94 R95	D92-K94 PolarHBondContact O-N 3.07Å; D92-R95 HydrophobicContact CB-CG 4.15Å; D92-R95 WeakPolarHBondContact O-CB 3.42Å; D92-R95 PolarHBondContact O-N 2.92Å; D92-R95 WeakPolarHBondContact OD2-CD 3.49Å; D92-R95 WeakPolarHBondContact OD2-CG 3.18Å; D92-R95 IonicContact OD2-CZ 2.84Å; D92-R95 IonicContact OD2-NE 3.35Å; D92-R95 PolarHBondContact OD2-NE 3.3Å
93	P	94.1	Very high	97.4	Very high	108 Å²	108	60 Å²	60	70%	0.701	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-10.9	-174.8	26.4	-36	0	0	0	113.4	R95 P97	P93-R95 VanDerWaalsContact C-N 3.33Å; P93-P97 VanDerWaalsContact O-CD 3.24Å; P93-P97 WeakPolarHBondContact O-CD 3.19Å
94	K	97.1	Very high	97.4	Very high	142 Å²	142	60.3 Å²	60.3	62%	0.617	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-20.2	174.7	-66.5	-175.3	179.3	-179.6	0	113.2	D92 I96 P97 D98	D92-K94 PolarHBondContact O-N 3.07Å; K94-I96 VanDerWaalsContact C-N 3.28Å; K94-I96 PolarHBondContact O-N 2.92Å; K94-P97 WeakPolarHBondContact O-CD 2.94Å; K94-P97 VanDerWaalsContact O-CG 3.22Å; K94-P97 WeakPolarHBondContact O-CG 3.46Å; K94-D98 VanDerWaalsContact O-CB 3.27Å; K94-D98 WeakPolarHBondContact O-CB 3.41Å; K94-D98 PolarHBondContact O-N 3.47Å
95	R	96.8	Very high	97.4	Very high	81 Å²	81	62.2 Å²	62.2	31%	0.306	30%	0.301	S	S	.	.	H	α-helix	trans	-56.9	-39.8	179.8	-78.5	179.1	172.6	-107.8	4.3	113.5	D84 I85 H86 D92 P93 F99	D84-R95 PolarHBondContact O-NH1 3.4Å; I85-R95 WeakPolarHBondContact O-CD 3.49Å; I85-R95 PolarHBondContact O-NH1 3.44Å; H86-R95 VanDerWaalsContact O-CD 3.27Å; H86-R95 WeakPolarHBondContact O-CD 3.28Å; D92-R95 HydrophobicContact CB-CG 4.15Å; D92-R95 WeakPolarHBondContact O-CB 3.42Å; D92-R95 PolarHBondContact O-N 2.92Å; D92-R95 WeakPolarHBondContact OD2-CD 3.49Å; D92-R95 WeakPolarHBondContact OD2-CG 3.18Å; D92-R95 IonicContact OD2-CZ 2.84Å; D92-R95 IonicContact OD2-NE 3.35Å; D92-R95 PolarHBondContact OD2-NE 3.3Å; P93-R95 VanDerWaalsContact C-N 3.33Å; R95-F99 WeakPolarHBondContact O-CB 3.32Å; R95-F99 PolarHBondContact O-N 3.02Å
96	I	97.1	Very high	97.4	Very high	51 Å²	51	64.2 Å²	64.2	26%	0.262	32%	0.315	S	S	.	.	H	α-helix	trans	-64.9	-57.1	178.4	-62.4	168.5	0	0	0	111.3	I87 K94 D98 F99 E100 A141	I87-I96 HydrophobicContact CG1-CG1 4.29Å; I87-I96 HydrophobicContact CG2-CD1 4.07Å; I87-I96 HydrophobicContact CG2-CG1 3.85Å; K94-I96 VanDerWaalsContact C-N 3.28Å; K94-I96 PolarHBondContact O-N 2.92Å; I96-D98 VanDerWaalsContact C-N 3.31Å; I96-D98 PolarHBondContact O-N 3.48Å; I96-F99 PolarHBondContact O-N 3.22Å; I96-E100 WeakPolarHBondContact O-CG 3.47Å; I96-E100 PolarHBondContact O-N 3.26Å; I96-A141 HydrophobicContact CD1-CB 3.82Å; I96-A141 HydrophobicContact CG1-CB 4.28Å
97	P	97.9	Very high	97.4	Very high	66 Å²	66	63.4 Å²	63.4	43%	0.429	31%	0.311	S	S	.	.	H	α-helix	trans	-64.8	-32.3	178.6	23	-32.7	0	0	0	113.1	P93 K94 E100 K101	P93-P97 VanDerWaalsContact O-CD 3.24Å; P93-P97 WeakPolarHBondContact O-CD 3.19Å; K94-P97 WeakPolarHBondContact O-CD 2.94Å; K94-P97 VanDerWaalsContact O-CG 3.22Å; K94-P97 WeakPolarHBondContact O-CG 3.46Å; P97-E100 PolarHBondContact O-N 2.9Å; P97-K101 WeakPolarHBondContact O-CB 3.34Å; P97-K101 PolarHBondContact O-N 3.21Å
98	D	98.3	Very high	97.3	Very high	95 Å²	95	67.1 Å²	67.1	51%	0.508	33%	0.331	S	S	.	.	H	α-helix	trans	-67.1	-40.3	174.5	-71.4	-21.6	0	0	0	111.3	K94 I96 K101 F102	K94-D98 VanDerWaalsContact O-CB 3.27Å; K94-D98 WeakPolarHBondContact O-CB 3.41Å; K94-D98 PolarHBondContact O-N 3.47Å; I96-D98 VanDerWaalsContact C-N 3.31Å; I96-D98 PolarHBondContact O-N 3.48Å; D98-K101 PolarHBondContact O-N 3.43Å; D98-F102 WeakPolarHBondContact O-CB 3.4Å; D98-F102 PolarHBondContact O-N 2.93Å
99	F	98.6	Very high	97.3	Very high	10 Å²	10	72.6 Å²	72.6	4%	0.044	36%	0.364	C	S	.	.	H	α-helix	trans	-67	-40.7	173.7	-178	-121.1	0	0	0	112.2	I85 I87 R95 I96 K101 F102 C103 Y142 A145 L146 W157	I85-F99 HydrophobicContact CD1-CD2 4.1Å; I85-F99 HydrophobicContact CD1-CE2 3.55Å; I85-F99 HydrophobicContact CD1-CZ 3.92Å; I85-F99 HydrophobicContact CG1-CD2 4.48Å; I85-F99 HydrophobicContact CG1-CE2 4.37Å; I85-F99 HydrophobicContact CG2-CB 4.21Å; I85-F99 HydrophobicContact CG2-CD1 4.38Å; I85-F99 HydrophobicContact CG2-CD2 3.87Å; I85-F99 HydrophobicContact CG2-CE2 4.33Å; I85-F99 HydrophobicContact CG2-CG 3.9Å; I87-F99 HydrophobicContact CD1-CD1 4.03Å; I87-F99 HydrophobicContact CD1-CE1 4.5Å; R95-F99 WeakPolarHBondContact O-CB 3.32Å; R95-F99 PolarHBondContact O-N 3.02Å; I96-F99 PolarHBondContact O-N 3.22Å; F99-K101 VanDerWaalsContact C-N 3.34Å; F99-K101 PolarHBondContact O-N 2.97Å; F99-F102 HydrophobicContact CD2-CD1 4.22Å; F99-F102 HydrophobicContact CE2-CD1 4.25Å; F99-F102 WeakPolarHBondContact O-CB 3.42Å; F99-F102 PolarHBondContact O-N 3.36Å; F99-C103 VanDerWaalsContact CE2-SG 3.6Å; F99-C103 WeakPolarHBondContact O-CB 3.23Å; F99-C103 PolarHBondContact O-N 2.92Å; F99-C103 PolarHBondContact O-SG 2.59Å; F99-Y142 AromaticContact CE1-CD2 3.65Å; F99-Y142 HydrophobicContact CE1-CD2 3.65Å; F99-Y142 AromaticContact CE1-CE2 3.85Å; F99-Y142 HydrophobicContact CE1-CE2 3.85Å; F99-Y142 AromaticContact CZ-CD2 3.92Å; F99-Y142 HydrophobicContact CZ-CD2 3.92Å; F99-Y142 AromaticContact CZ-CE2 3.62Å; F99-Y142 HydrophobicContact CZ-CE2 3.62Å; F99-A145 HydrophobicContact CD1-CB 3.56Å; F99-A145 HydrophobicContact CE1-CB 3.77Å; F99-L146 HydrophobicContact CE1-CD2 4.18Å; F99-L146 HydrophobicContact CE1-CG 4.46Å; F99-L146 HydrophobicContact CZ-CD2 3.81Å; F99-L146 HydrophobicContact CZ-CG 4.49Å; F99-W157 AromaticContact CE2-CH2 3.67Å; F99-W157 HydrophobicContact CE2-CH2 3.67Å; F99-W157 AromaticContact CE2-CZ2 3.81Å; F99-W157 HydrophobicContact CE2-CZ2 3.81Å; F99-W157 AromaticContact CZ-CH2 3.83Å; F99-W157 HydrophobicContact CZ-CH2 3.83Å; F99-W157 AromaticContact CZ-CZ2 3.67Å; F99-W157 HydrophobicContact CZ-CZ2 3.67Å
100	E	98.4	Very high	97.3	Very high	52 Å²	52	68.8 Å²	68.8	24%	0.243	35%	0.353	C	S	.	.	H	α-helix	trans	-60.8	-43.2	172.5	-75.1	-175.9	159.6	0	0	110.7	I96 P97 C103 T104 A145 K148	I96-E100 WeakPolarHBondContact O-CG 3.47Å; I96-E100 PolarHBondContact O-N 3.26Å; P97-E100 PolarHBondContact O-N 2.9Å; E100-C103 PolarHBondContact O-N 2.99Å; E100-T104 WeakPolarHBondContact O-CB 3.39Å; E100-T104 WeakPolarHBondContact O-CG2 3.21Å; E100-T104 PolarHBondContact O-N 2.95Å; E100-T104 PolarHBondContact O-OG1 2.94Å; E100-A145 HydrophobicContact CG-CB 3.6Å; E100-K148 IonicContact OE1-NZ 2.7Å; E100-K148 PolarHBondContact OE1-NZ 3.29Å; E100-K148 VanDerWaalsContact OE1-NZ 3.15Å
101	K	98.4	Very high	97.3	Very high	124 Å²	124	72.9 Å²	72.9	54%	0.539	37%	0.371	S	S	.	.	H	α-helix	trans	-64	-42.4	175.5	-175.2	179.4	178.3	-177.4	0	112.1	P97 D98 F99 T104 H105 T106	P97-K101 WeakPolarHBondContact O-CB 3.34Å; P97-K101 PolarHBondContact O-N 3.21Å; D98-K101 PolarHBondContact O-N 3.43Å; F99-K101 VanDerWaalsContact C-N 3.34Å; F99-K101 PolarHBondContact O-N 2.97Å; K101-T104 WeakPolarHBondContact CA-OG1 3.36Å; K101-T104 PolarHBondContact O-N 2.71Å; K101-T104 PolarHBondContact O-OG1 3.46Å; K101-H105 HydrophobicContact CG-CB 4.46Å; K101-H105 WeakPolarHBondContact O-CB 3.31Å; K101-H105 PolarHBondContact O-N 3.16Å; K101-T106 PolarHBondContact O-N 2.91Å
102	F	98.6	Very high	97.5	Very high	39 Å²	39	71.1 Å²	71.1	17%	0.171	36%	0.363	C	S	.	.	I	π-helix	trans	-57.7	-52	174	170.7	-101	0	0	0	110.8	V80 V82 D98 F99 T104 T106 I107 W157	V80-F102 HydrophobicContact CG1-CE2 4.25Å; V80-F102 HydrophobicContact CG1-CZ 3.8Å; V82-F102 HydrophobicContact CB-CE1 4.33Å; V82-F102 HydrophobicContact CB-CZ 4.19Å; V82-F102 HydrophobicContact CG1-CE1 4.19Å; V82-F102 HydrophobicContact CG1-CZ 4.42Å; V82-F102 HydrophobicContact CG2-CE1 4.47Å; D98-F102 WeakPolarHBondContact O-CB 3.4Å; D98-F102 PolarHBondContact O-N 2.93Å; F99-F102 HydrophobicContact CD2-CD1 4.22Å; F99-F102 HydrophobicContact CE2-CD1 4.25Å; F99-F102 WeakPolarHBondContact O-CB 3.42Å; F99-F102 PolarHBondContact O-N 3.36Å; F102-T104 VanDerWaalsContact C-N 3.33Å; F102-T104 PolarHBondContact O-N 3Å; F102-T106 HydrophobicContact CD2-CG2 3.8Å; F102-T106 HydrophobicContact CE2-CG2 3.99Å; F102-T106 WeakPolarHBondContact O-CB 3.32Å; F102-T106 PolarHBondContact O-N 3.39Å; F102-I107 HydrophobicContact CD1-CG1 4.39Å; F102-I107 HydrophobicContact CE1-CD1 3.89Å; F102-I107 HydrophobicContact CE1-CG1 4.05Å; F102-I107 HydrophobicContact CE2-CD1 4.07Å; F102-I107 HydrophobicContact CZ-CD1 3.57Å; F102-I107 HydrophobicContact CZ-CG1 4.18Å; F102-I107 WeakPolarHBondContact O-CG1 3.38Å; F102-I107 PolarHBondContact O-N 3.47Å; F102-W157 HydrophobicContact CD1-CH2 4.3Å; F102-W157 AromaticContact CE1-CH2 3.83Å; F102-W157 HydrophobicContact CE1-CH2 3.83Å; F102-W157 HydrophobicContact CE1-CZ3 4.16Å
103	C	98.6	Very high	97.6	Very high	0 Å²	0	69 Å²	69	0%	0	36%	0.357	C	S	.	.	I	π-helix	trans	-63.3	-37.9	-179.9	-65.7	0	0	0	0	112.5	F99 E100 S149 V151 R154	F99-C103 VanDerWaalsContact CE2-SG 3.6Å; F99-C103 WeakPolarHBondContact O-CB 3.23Å; F99-C103 PolarHBondContact O-N 2.92Å; F99-C103 PolarHBondContact O-SG 2.59Å; E100-C103 PolarHBondContact O-N 2.99Å; C103-S149 WeakPolarHBondContact CB-OG 3.47Å; C103-V151 HydrophobicContact CB-CB 4.07Å; C103-V151 HydrophobicContact CB-CG1 4.18Å; C103-V151 HydrophobicContact CB-CG2 4.3Å; C103-R154 PolarHBondContact O-NH2 2.91Å
104	T	97.9	Very high	97.8	Very high	49 Å²	49	63.9 Å²	63.9	30%	0.301	32%	0.323	S	S	.	.	I	π-helix	trans	-82.1	-51.3	-177	47.7	0	0	0	0	113.4	E100 K101 F102 D108 S149	E100-T104 WeakPolarHBondContact O-CB 3.39Å; E100-T104 WeakPolarHBondContact O-CG2 3.21Å; E100-T104 PolarHBondContact O-N 2.95Å; E100-T104 PolarHBondContact O-OG1 2.94Å; K101-T104 WeakPolarHBondContact CA-OG1 3.36Å; K101-T104 PolarHBondContact O-N 2.71Å; K101-T104 PolarHBondContact O-OG1 3.46Å; F102-T104 VanDerWaalsContact C-N 3.33Å; F102-T104 PolarHBondContact O-N 3Å; T104-D108 VanDerWaalsContact O-CB 3.31Å; T104-D108 WeakPolarHBondContact O-CB 3.36Å; T104-S149 VanDerWaalsContact CG2-CB 3.46Å
105	H	97.8	Very high	97.9	Very high	120 Å²	120	57.1 Å²	57.1	56%	0.556	29%	0.294	S	S	*	.	I	π-helix	trans	-98.9	-52.7	-170.5	-62.8	73.9	0	0	0	111.6	K101 I107 D108 V109	K101-H105 HydrophobicContact CG-CB 4.46Å; K101-H105 WeakPolarHBondContact O-CB 3.31Å; K101-H105 PolarHBondContact O-N 3.16Å; H105-I107 PolarHBondContact O-N 3.25Å; H105-D108 PolarHBondContact O-N 3.36Å; H105-D108 VanDerWaalsContact O-N 3.16Å; H105-V109 WeakPolarHBondContact O-CG2 3.46Å; H105-V109 PolarHBondContact O-N 2.86Å
106	T	98.2	Very high	97.9	Very high	56 Å²	56	54.4 Å²	54.4	34%	0.344	29%	0.285	S	S	.	.	I	π-helix	trans	-64.1	-46.5	-173.4	-55.9	0	0	0	0	111.5	K101 F102 D108 V109 I110	K101-T106 PolarHBondContact O-N 2.91Å; F102-T106 HydrophobicContact CD2-CG2 3.8Å; F102-T106 HydrophobicContact CE2-CG2 3.99Å; F102-T106 WeakPolarHBondContact O-CB 3.32Å; F102-T106 PolarHBondContact O-N 3.39Å; T106-D108 VanDerWaalsContact C-N 3.27Å; T106-D108 PolarHBondContact O-N 3.24Å; T106-V109 PolarHBondContact O-N 3.09Å; T106-I110 HydrophobicContact CG2-CD1 3.72Å; T106-I110 HydrophobicContact CG2-CG1 4.47Å; T106-I110 WeakPolarHBondContact O-CG1 3.38Å; T106-I110 PolarHBondContact O-N 3.14Å
107	I	98.3	Very high	98	Very high	3 Å²	3	52 Å²	52	2%	0.015	27%	0.273	C	S	.	.	H	α-helix	trans	-65.3	-31.5	176.9	-63.3	-55	0	0	0	111.9	V80 F102 H105 K111 P112 V115 V151 T155	V80-I107 HydrophobicContact CB-CD1 4.5Å; V80-I107 HydrophobicContact CG1-CD1 4.47Å; V80-I107 HydrophobicContact CG2-CD1 4.49Å; F102-I107 HydrophobicContact CD1-CG1 4.39Å; F102-I107 HydrophobicContact CE1-CD1 3.89Å; F102-I107 HydrophobicContact CE1-CG1 4.05Å; F102-I107 HydrophobicContact CE2-CD1 4.07Å; F102-I107 HydrophobicContact CZ-CD1 3.57Å; F102-I107 HydrophobicContact CZ-CG1 4.18Å; F102-I107 WeakPolarHBondContact O-CG1 3.38Å; F102-I107 PolarHBondContact O-N 3.47Å; H105-I107 PolarHBondContact O-N 3.25Å; I107-K111 WeakPolarHBondContact O-CA 3.45Å; I107-K111 PolarHBondContact O-N 3.07Å; I107-P112 HydrophobicContact CD1-CG 4.2Å; I107-P112 HydrophobicContact CG2-CG 4.27Å; I107-V115 HydrophobicContact CD1-CG2 3.65Å; I107-V115 HydrophobicContact CG1-CG2 4.43Å; I107-V151 HydrophobicContact CB-CG2 4.08Å; I107-V151 HydrophobicContact CG1-CG2 4.13Å; I107-V151 HydrophobicContact CG2-CG2 3.7Å; I107-T155 HydrophobicContact CG2-CG2 3.66Å
108	D	96.3	Very high	97.9	Very high	79 Å²	79	51.2 Å²	51.2	42%	0.422	27%	0.267	S	S	.	.	H	α-helix	trans	-71.7	-32.1	177.8	-155.7	61.8	0	0	0	113.4	T104 H105 T106 K111 R154	T104-D108 VanDerWaalsContact O-CB 3.31Å; T104-D108 WeakPolarHBondContact O-CB 3.36Å; H105-D108 PolarHBondContact O-N 3.36Å; H105-D108 VanDerWaalsContact O-N 3.16Å; T106-D108 VanDerWaalsContact C-N 3.27Å; T106-D108 PolarHBondContact O-N 3.24Å; D108-K111 WeakPolarHBondContact O-CE 3.28Å; D108-K111 WeakPolarHBondContact O-CG 3.46Å; D108-R154 IonicContact OD1-CZ 3.14Å; D108-R154 IonicContact OD1-NH1 3.73Å; D108-R154 PolarHBondContact OD1-NH1 2.93Å
109	V	97.8	Very high	97.8	Very high	123 Å²	123	46.7 Å²	46.7	75%	0.745	24%	0.243	S	C	*	.	H	α-helix	trans	-74.1	-47.4	174.6	172.4	0	0	0	0	110.6	H105 T106	H105-V109 WeakPolarHBondContact O-CG2 3.46Å; H105-V109 PolarHBondContact O-N 2.86Å; T106-V109 PolarHBondContact O-N 3.09Å
110	I	97.6	Very high	97.8	Very high	61 Å²	61	46.9 Å²	46.9	31%	0.313	24%	0.244	S	C	.	.	H	α-helix	trans	-71.5	-38.1	-177	-63.1	171.6	0	0	0	110.8	W78 V80 T106 P112	W78-I110 PolarHBondContact NE1-O 3.18Å; V80-I110 HydrophobicContact CG2-CD1 3.97Å; V80-I110 HydrophobicContact CG2-CG2 3.86Å; T106-I110 HydrophobicContact CG2-CD1 3.72Å; T106-I110 HydrophobicContact CG2-CG1 4.47Å; T106-I110 WeakPolarHBondContact O-CG1 3.38Å; T106-I110 PolarHBondContact O-N 3.14Å; I110-P112 HydrophobicContact CG2-CB 4.14Å; I110-P112 HydrophobicContact CG2-CG 4.32Å
111	K	97.3	Very high	97.8	Very high	152 Å²	152	44.4 Å²	44.4	66%	0.661	23%	0.233	S	C	*	.			trans	48.8	53.8	-172.8	-55.7	-177	-179.9	173.9	0	112.9	W78 I107 D108	W78-K111 PolarHBondContact NE1-O 2.81Å; I107-K111 WeakPolarHBondContact O-CA 3.45Å; I107-K111 PolarHBondContact O-N 3.07Å; D108-K111 WeakPolarHBondContact O-CE 3.28Å; D108-K111 WeakPolarHBondContact O-CG 3.46Å
112	P	97.9	Very high	97.8	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.032	21%	0.207	C	C	.	.			trans	-68.3	151.1	-178.6	32	-34.3	0	0	0	111.3	V80 I107 I110 L114 V115 T155	V80-P112 HydrophobicContact CB-CB 4.49Å; V80-P112 HydrophobicContact CB-CG 4.46Å; V80-P112 HydrophobicContact CG2-CB 3.94Å; V80-P112 HydrophobicContact CG2-CG 4.01Å; I107-P112 HydrophobicContact CD1-CG 4.2Å; I107-P112 HydrophobicContact CG2-CG 4.27Å; I110-P112 HydrophobicContact CG2-CB 4.14Å; I110-P112 HydrophobicContact CG2-CG 4.32Å; P112-L114 PolarHBondContact O-N 3.37Å; P112-V115 HydrophobicContact CG-CG2 3.75Å; P112-T155 PolarHBondContact O-OG1 2.84Å
113	A	97	Very high	97.7	Very high	34 Å²	34	37 Å²	37	28%	0.281	20%	0.201	S	C	.	.	S	Bend	trans	-61	-34.3	173.8	0	0	0	0	0	111.9	F77 W78	F77-A113 HydrophobicContact CB-CB 4.49Å; F77-A113 HydrophobicContact CD2-CB 3.75Å; W78-A113 PolarHBondContact O-N 3.09Å
114	L	97.7	Very high	97.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	159.8	175.4	59.4	108.9	0	0	0	111.6	F77 F79 V80 P112 L116 K156 Y193 H195 F204	F77-L114 HydrophobicContact CE2-CD2 4.49Å; F79-L114 VanDerWaalsContact CA-O 3.28Å; F79-L114 WeakPolarHBondContact CA-O 3.24Å; F79-L114 HydrophobicContact CB-CD1 3.76Å; F79-L114 HydrophobicContact CB-CD2 4.42Å; F79-L114 HydrophobicContact CB-CG 3.64Å; F79-L114 VanDerWaalsContact CB-O 3.29Å; F79-L114 WeakPolarHBondContact CB-O 3.31Å; F79-L114 HydrophobicContact CD2-CD1 4.42Å; F79-L114 HydrophobicContact CG-CD1 4.25Å; V80-L114 PolarHBondContact N-O 3.14Å; P112-L114 PolarHBondContact O-N 3.37Å; L114-L116 HydrophobicContact CD1-CD1 4.33Å; L114-L116 HydrophobicContact CD1-CD2 3.43Å; L114-L116 VanDerWaalsContact CD1-CD2 3.43Å; L114-L116 HydrophobicContact CD1-CG 3.68Å; L114-K156 CarbonylContact C-O 3.51Å; L114-K156 WeakPolarHBondContact CA-O 3.26Å; L114-K156 HydrophobicContact CB-CB 3.9Å; L114-K156 HydrophobicContact CB-CG 4.29Å; L114-K156 WeakPolarHBondContact CB-O 3.39Å; L114-Y193 HydrophobicContact CD2-CE1 4.16Å; L114-H195 HydrophobicContact CD2-CB 4.12Å; L114-F204 HydrophobicContact CD1-CD1 4.2Å; L114-F204 HydrophobicContact CD1-CE1 3.91Å; L114-F204 HydrophobicContact CD1-CE2 4.39Å; L114-F204 HydrophobicContact CD1-CZ 4.02Å; L114-F204 HydrophobicContact CD2-CD2 4.14Å; L114-F204 HydrophobicContact CD2-CE1 4.37Å; L114-F204 HydrophobicContact CD2-CE2 3.5Å; L114-F204 HydrophobicContact CD2-CZ 3.63Å; L114-F204 HydrophobicContact CG-CZ 4.36Å
115	V	98.6	Very high	97.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.9	173.4	-177.1	0	0	0	0	108.9	V80 V82 I107 P112 T155 K156 W157 I158	V80-V115 HydrophobicContact CB-CG1 4.5Å; V80-V115 HydrophobicContact CB-CG2 4.38Å; V80-V115 CarbonylContact O-C 3.57Å; V80-V115 VanDerWaalsContact O-CA 3.28Å; V80-V115 WeakPolarHBondContact O-CA 3.22Å; V82-V115 HydrophobicContact CG1-CG1 4.13Å; I107-V115 HydrophobicContact CD1-CG2 3.65Å; I107-V115 HydrophobicContact CG1-CG2 4.43Å; P112-V115 HydrophobicContact CG-CG2 3.75Å; V115-T155 HydrophobicContact CG2-CG2 3.73Å; V115-K156 PolarHBondContact N-O 3.47Å; V115-W157 HydrophobicContact CB-CD2 4.22Å; V115-W157 HydrophobicContact CB-CE3 3.71Å; V115-W157 HydrophobicContact CB-CZ3 4.04Å; V115-W157 HydrophobicContact CG1-CD2 4.21Å; V115-W157 HydrophobicContact CG1-CE3 3.75Å; V115-W157 HydrophobicContact CG1-CH2 3.95Å; V115-W157 HydrophobicContact CG1-CZ2 4.35Å; V115-W157 HydrophobicContact CG1-CZ3 3.62Å; V115-W157 HydrophobicContact CG2-CE3 4.1Å; V115-W157 HydrophobicContact CG2-CZ3 4.25Å; V115-I158 PolarHBondContact O-N 2.72Å
116	L	98.4	Very high	97.4	Very high	23 Å²	23	32.6 Å²	32.6	12%	0.12	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	114.3	174.6	-56.7	180	0	0	0	109.1	F79 V80 Q81 V82 L114 T118 I158 F204	F79-L116 HydrophobicContact CD2-CD1 3.94Å; F79-L116 HydrophobicContact CD2-CG 4.29Å; F79-L116 HydrophobicContact CE2-CD1 3.86Å; V80-L116 PolarHBondContact O-N 3.38Å; Q81-L116 CarbonylContact C-O 3.49Å; Q81-L116 WeakPolarHBondContact CA-O 3.4Å; Q81-L116 HydrophobicContact CG-CB 4.41Å; V82-L116 PolarHBondContact N-O 3.41Å; V82-L116 VanDerWaalsContact O-O 3.11Å; L114-L116 HydrophobicContact CD1-CD1 4.33Å; L114-L116 HydrophobicContact CD1-CD2 3.43Å; L114-L116 VanDerWaalsContact CD1-CD2 3.43Å; L114-L116 HydrophobicContact CD1-CG 3.68Å; L116-T118 HydrophobicContact CB-CG2 4Å; L116-I158 CarbonylContact C-O 3.58Å; L116-I158 WeakPolarHBondContact CA-O 3.28Å; L116-I158 HydrophobicContact CD2-CB 3.98Å; L116-I158 HydrophobicContact CD2-CD1 4.15Å; L116-I158 HydrophobicContact CD2-CG2 4.35Å; L116-F204 HydrophobicContact CD1-CD1 3.89Å; L116-F204 HydrophobicContact CD1-CE1 4.18Å; L116-F204 HydrophobicContact CD2-CD1 4.31Å
117	A	98.4	Very high	97.2	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.008	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	98.7	171.7	0	0	0	0	0	109.6	V82 G119 L121 W157 I158 D159 I160	V82-A117 HydrophobicContact CG1-CB 3.98Å; V82-A117 CarbonylContact O-C 3.46Å; V82-A117 VanDerWaalsContact O-CA 3.23Å; V82-A117 WeakPolarHBondContact O-CA 3.27Å; A117-G119 VanDerWaalsContact C-N 3.35Å; A117-G119 PolarHBondContact O-N 3.16Å; A117-L121 HydrophobicContact CB-CD2 3.9Å; A117-W157 HydrophobicContact CB-CZ2 4.02Å; A117-I158 PolarHBondContact N-O 2.87Å; A117-D159 HydrophobicContact CB-CB 3.86Å; A117-D159 WeakPolarHBondContact O-CA 3.42Å; A117-I160 PolarHBondContact O-N 2.93Å
118	T	96.7	Very high	97	Very high	49 Å²	49	40.3 Å²	40.3	30%	0.301	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	43.3	-159.6	57.5	0	0	0	0	114.9	Q81 V82 S83 L116	Q81-T118 HydrophobicContact CG-CG2 3.78Å; Q81-T118 PolarHBondContact NE2-OG1 3.19Å; V82-T118 PolarHBondContact O-N 3.1Å; V82-T118 PolarHBondContact O-OG1 2.88Å; S83-T118 WeakPolarHBondContact CB-OG1 3.06Å; S83-T118 PolarHBondContact OG-OG1 3.02Å; L116-T118 HydrophobicContact CB-CG2 4Å
119	G	96.1	Very high	96.7	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.01	22%	0.223	C	C	.	.	S	Bend	trans	99.4	171.4	175.2	0	0	0	0	0	115	D84 A117 L121 I160 G162	D84-G119 PolarHBondContact N-O 3.39Å; A117-G119 VanDerWaalsContact C-N 3.35Å; A117-G119 PolarHBondContact O-N 3.16Å; G119-L121 VanDerWaalsContact C-N 3.3Å; G119-L121 PolarHBondContact O-N 3.35Å; G119-I160 WeakPolarHBondContact CA-O 3.32Å; G119-I160 PolarHBondContact N-O 3.03Å; G119-I160 VanDerWaalsContact N-O 3.14Å; G119-G162 VanDerWaalsContact CA-N 3.27Å
120	D	97.4	Very high	96.3	Very high	13 Å²	13	41.5 Å²	41.5	7%	0.07	22%	0.221	C	C	.	.			trans	50.4	52.9	-174.8	-75.2	2.6	0	0	0	111.3	I85 H86 T122 G162 N163 H164 D165	I85-D120 PolarHBondContact N-O 2.99Å; I85-D120 VanDerWaalsContact N-O 3.1Å; H86-D120 VanDerWaalsContact CE1-CB 3.43Å; H86-D120 WeakPolarHBondContact CE1-CB 2.91Å; H86-D120 IonicContact CE1-OD2 3.18Å; H86-D120 PolarHBondContact CE1-OD2 2.76Å; H86-D120 PolarHBondContact N-O 3.1Å; H86-D120 WeakPolarHBondContact NE2-CB 3.35Å; H86-D120 IonicContact NE2-OD2 3.95Å; H86-D120 PolarHBondContact NE2-OD2 2.74Å; D120-T122 VanDerWaalsContact C-N 3.35Å; D120-G162 VanDerWaalsContact OD1-C 3.27Å; D120-G162 VanDerWaalsContact OD1-CA 3.27Å; D120-G162 WeakPolarHBondContact OD1-CA 3.24Å; D120-N163 PolarHBondContact OD1-N 3.45Å; D120-N163 VanDerWaalsContact OD1-N 3.09Å; D120-N163 PolarHBondContact OD1-OD1 3.06Å; D120-N163 PolarHBondContact OD2-OD1 3.5Å; D120-H164 HydrophobicContact CB-CB 4.34Å; D120-H164 VanDerWaalsContact CG-CD2 3.49Å; D120-H164 VanDerWaalsContact OD1-CB 3.32Å; D120-H164 WeakPolarHBondContact OD1-CB 3.49Å; D120-H164 IonicContact OD1-CD2 2.7Å; D120-H164 IonicContact OD1-CG 3.82Å; D120-H164 PolarHBondContact OD1-N 3.26Å; D120-H164 IonicContact OD2-CD2 3.77Å; D120-H164 PolarHBondContact OD2-CD2 2.95Å; D120-H164 IonicContact OD2-CG 2.66Å; D120-H164 IonicContact OD2-NE2 3.05Å; D120-D165 WeakPolarHBondContact CA-OD2 3.18Å; D120-D165 PolarHBondContact N-OD2 3.39Å
121	L	98.4	Very high	96	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.218	C	C	.	.			trans	-69.5	-39.1	179.9	-50.7	178	0	0	0	110.2	I85 I87 A117 G119 W139 Y142 D159 D165 Y179	I85-L121 HydrophobicContact CD1-CD2 4.04Å; I87-L121 PolarHBondContact N-O 3.38Å; A117-L121 HydrophobicContact CB-CD2 3.9Å; G119-L121 VanDerWaalsContact C-N 3.3Å; G119-L121 PolarHBondContact O-N 3.35Å; L121-W139 HydrophobicContact CD1-CH2 4.41Å; L121-W139 HydrophobicContact CD1-CZ3 4.14Å; L121-Y142 HydrophobicContact CB-CD2 4.3Å; L121-Y142 HydrophobicContact CB-CE2 4.23Å; L121-Y142 HydrophobicContact CD1-CE1 4.1Å; L121-Y142 HydrophobicContact CD1-CE2 4.44Å; L121-Y142 HydrophobicContact CD2-CE2 4.14Å; L121-Y142 HydrophobicContact CG-CE2 4.5Å; L121-D159 HydrophobicContact CD1-CB 3.98Å; L121-D159 HydrophobicContact CD2-CB 4.45Å; L121-D165 PolarHBondContact N-OD1 2.99Å; L121-D165 VanDerWaalsContact N-OD1 3.12Å; L121-D165 PolarHBondContact N-OD2 2.66Å; L121-D165 VanDerWaalsContact N-OD2 3.14Å; L121-Y179 HydrophobicContact CD1-CD2 4.24Å; L121-Y179 HydrophobicContact CD1-CE2 4.13Å
122	T	98.3	Very high	95.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-115.1	154.8	175.9	61	0	0	0	0	111.1	D120 E138 W139 H164 D165	D120-T122 VanDerWaalsContact C-N 3.35Å; T122-E138 HydrophobicContact CG2-CB 3.9Å; T122-W139 HydrophobicContact CG2-CD2 3.6Å; T122-W139 HydrophobicContact CG2-CE3 4.02Å; T122-W139 HydrophobicContact CG2-CG 3.84Å; T122-W139 HydrophobicContact CG2-CH2 4.44Å; T122-W139 HydrophobicContact CG2-CZ2 4.11Å; T122-W139 HydrophobicContact CG2-CZ3 4.41Å; T122-W139 WeakPolarHBondContact OG1-CZ2 3.37Å; T122-W139 PolarHBondContact OG1-NE1 3.17Å; T122-H164 WeakPolarHBondContact O-CB 3.43Å; T122-D165 PolarHBondContact N-OD1 3.25Å; T122-D165 PolarHBondContact OG1-OD1 3.15Å; T122-D165 VanDerWaalsContact OG1-OD1 3.04Å
123	D	97.6	Very high	95.7	Very high	9 Å²	9	35 Å²	35	5%	0.048	20%	0.199	C	C	.	.			trans	-83.7	-37.2	-178.4	-175.3	41	0	0	0	111.7	H86 I87 S88 H91 K125 H164	H86-D123 HydrophobicContact CB-CB 4.1Å; H86-D123 IonicContact ND1-OD1 3.85Å; I87-D123 PolarHBondContact O-N 3.21Å; S88-D123 WeakPolarHBondContact CB-OD2 3.45Å; S88-D123 PolarHBondContact OG-OD2 3.05Å; H91-D123 IonicContact CD2-OD2 2.96Å; D123-K125 PolarHBondContact O-N 3.33Å; D123-K125 WeakPolarHBondContact OD1-CD 3.27Å; D123-K125 WeakPolarHBondContact OD1-CG 3.5Å; D123-K125 IonicContact OD1-NZ 3.67Å; D123-K125 PolarHBondContact OD1-NZ 2.92Å; D123-H164 PolarHBondContact O-ND1 3.33Å; D123-H164 IonicContact OD1-CE1 2.71Å; D123-H164 IonicContact OD1-ND1 3.16Å
124	A	96.5	Very high	95.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.19	C	C	.	.			trans	51.8	21.6	175.7	0	0	0	0	0	114.6	S132 L133 E138 H164 F167	A124-S132 CarbonylContact O-C 3.37Å; A124-S132 WeakPolarHBondContact O-CA 3.47Å; A124-S132 WeakPolarHBondContact O-CB 3.43Å; A124-L133 CarbonylContact C-O 3.52Å; A124-L133 VanDerWaalsContact CA-O 3.28Å; A124-L133 WeakPolarHBondContact CA-O 3.5Å; A124-L133 VanDerWaalsContact CB-O 3.32Å; A124-L133 WeakPolarHBondContact CB-O 3.38Å; A124-L133 PolarHBondContact O-N 3.24Å; A124-E138 WeakPolarHBondContact CA-OE2 3.49Å; A124-E138 PolarHBondContact N-OE2 3.01Å; A124-H164 VanDerWaalsContact CB-O 3.31Å; A124-H164 WeakPolarHBondContact CB-O 3.44Å; A124-F167 HydrophobicContact CB-CB 4.45Å; A124-F167 HydrophobicContact CB-CD2 3.92Å
125	K	96.2	Very high	95.7	Very high	41 Å²	41	35 Å²	35	18%	0.178	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-91.7	147.3	174.4	-67.4	-171.6	-174	96.3	0	109.7	F90 D123 K129 H135 H164	F90-K125 WeakPolarHBondContact CD2-O 2.92Å; F90-K125 WeakPolarHBondContact CE2-O 3.07Å; D123-K125 PolarHBondContact O-N 3.33Å; D123-K125 WeakPolarHBondContact OD1-CD 3.27Å; D123-K125 WeakPolarHBondContact OD1-CG 3.5Å; D123-K125 IonicContact OD1-NZ 3.67Å; D123-K125 PolarHBondContact OD1-NZ 2.92Å; K125-K129 HydrophobicContact CD-CB 4.32Å; K125-K129 HydrophobicContact CD-CG 4.35Å; K125-H135 PolarHBondContact O-NE2 2.73Å; K125-H164 PolarHBondContact NZ-CE1 3.11Å; K125-H164 VanDerWaalsContact NZ-CE1 3.35Å
126	T	94.1	Very high	95.7	Very high	35 Å²	35	37.8 Å²	37.8	22%	0.215	21%	0.207	C	C	.	.			trans	-65.9	158.7	164.6	57.2	0	0	0	0	110.3	S128 K129 G131 L133	T126-S128 PolarHBondContact O-N 3.49Å; T126-S128 VanDerWaalsContact O-N 3.12Å; T126-S128 PolarHBondContact OG1-OG 3.32Å; T126-K129 WeakPolarHBondContact O-CA 3.32Å; T126-K129 PolarHBondContact O-N 3.35Å; T126-G131 PolarHBondContact N-O 2.89Å; T126-G131 WeakPolarHBondContact OG1-CA 3.25Å; T126-G131 PolarHBondContact OG1-N 3.4Å; T126-G131 PolarHBondContact OG1-O 3.39Å; T126-L133 HydrophobicContact CG2-CD2 3.51Å
127	E	95.3	Very high	95.7	Very high	138 Å²	138	39.9 Å²	39.9	65%	0.645	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-36.7	175.6	-173.1	174.8	-164.6	0	0	114	F90 H91 K129	F90-E127 HydrophobicContact CB-CB 4.29Å; F90-E127 HydrophobicContact CB-CG 4.34Å; F90-E127 HydrophobicContact CD1-CB 3.66Å; F90-E127 HydrophobicContact CD1-CG 3.95Å; F90-E127 HydrophobicContact CD2-CB 4.17Å; F90-E127 HydrophobicContact CE1-CB 3.94Å; F90-E127 HydrophobicContact CE2-CB 4.4Å; F90-E127 HydrophobicContact CG-CB 3.78Å; F90-E127 HydrophobicContact CG-CG 4.23Å; F90-E127 HydrophobicContact CZ-CB 4.29Å; H91-E127 PolarHBondContact CE1-O 2.82Å; H91-E127 PolarHBondContact NE2-O 2.92Å; E127-K129 PolarHBondContact O-N 2.8Å
128	S	92.9	Very high	95.7	Very high	83 Å²	83	39.9 Å²	39.9	58%	0.58	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-7.5	176	66	0	0	0	0	114.3	T126 V130	T126-S128 PolarHBondContact O-N 3.49Å; T126-S128 VanDerWaalsContact O-N 3.12Å; T126-S128 PolarHBondContact OG1-OG 3.32Å; S128-V130 PolarHBondContact O-N 3.23Å; S128-V130 PolarHBondContact OG-N 2.86Å
129	K	90.3	Very high	95.8	Very high	110 Å²	110	37.6 Å²	37.6	48%	0.478	21%	0.206	S	C	.	.	S	Bend	trans	58.3	6.1	-170.5	-55.5	179.5	-179.8	178.5	0	115.7	H91 K125 T126 E127 R217	H91-K129 WeakPolarHBondContact CD2-CE 3.45Å; H91-K129 WeakPolarHBondContact CE1-CE 3.33Å; H91-K129 WeakPolarHBondContact NE2-CE 3.38Å; H91-K129 VanDerWaalsContact NE2-CG 3.26Å; H91-K129 WeakPolarHBondContact NE2-CG 3.17Å; K125-K129 HydrophobicContact CD-CB 4.32Å; K125-K129 HydrophobicContact CD-CG 4.35Å; T126-K129 WeakPolarHBondContact O-CA 3.32Å; T126-K129 PolarHBondContact O-N 3.35Å; E127-K129 PolarHBondContact O-N 2.8Å; K129-R217 PolarHBondContact O-NH1 3.16Å
130	V	89.9	Confident	95.9	Very high	116 Å²	116	40.9 Å²	40.9	70%	0.703	22%	0.221	S	C	*	.	S	Bend	trans	-82.1	-42.7	179.1	178.8	0	0	0	0	110.9	S128	S128-V130 PolarHBondContact O-N 3.23Å; S128-V130 PolarHBondContact OG-N 2.86Å
131	G	92	Very high	96	Very high	23 Å²	23	41.2 Å²	41.2	24%	0.237	23%	0.225	C	C	.	.			trans	-98.7	174.5	179.6	0	0	0	0	0	113.3	T126	T126-G131 PolarHBondContact N-O 2.89Å; T126-G131 WeakPolarHBondContact OG1-CA 3.25Å; T126-G131 PolarHBondContact OG1-N 3.4Å; T126-G131 PolarHBondContact OG1-O 3.39Å
132	S	94.3	Very high	96	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.014	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-143	150.5	167.6	59.1	0	0	0	0	112.3	A124 F167 K216 R217	A124-S132 CarbonylContact O-C 3.37Å; A124-S132 WeakPolarHBondContact O-CA 3.47Å; A124-S132 WeakPolarHBondContact O-CB 3.43Å; S132-F167 VanDerWaalsContact CB-CG 3.49Å; S132-F167 WeakPolarHBondContact OG-CD1 3.12Å; S132-F167 VanDerWaalsContact OG-CG 3.24Å; S132-F167 WeakPolarHBondContact OG-CG 3.34Å; S132-K216 WeakPolarHBondContact O-CD 3.16Å; S132-K216 WeakPolarHBondContact O-CG 3.43Å; S132-K216 WeakPolarHBondContact OG-CA 3.48Å; S132-R217 PolarHBondContact OG-N 3.15Å
133	L	94.6	Very high	96	Very high	57 Å²	57	43.5 Å²	43.5	30%	0.298	24%	0.236	S	C	.	.			trans	-163.4	159.5	170.1	64.9	158	0	0	0	109.3	A124 T126 H135 N168	A124-L133 CarbonylContact C-O 3.52Å; A124-L133 VanDerWaalsContact CA-O 3.28Å; A124-L133 WeakPolarHBondContact CA-O 3.5Å; A124-L133 VanDerWaalsContact CB-O 3.32Å; A124-L133 WeakPolarHBondContact CB-O 3.38Å; A124-L133 PolarHBondContact O-N 3.24Å; T126-L133 HydrophobicContact CG2-CD2 3.51Å; L133-H135 VanDerWaalsContact CD2-CE1 3.46Å; L133-H135 WeakPolarHBondContact CD2-CE1 3.45Å; L133-H135 VanDerWaalsContact CG-CE1 3.42Å; L133-H135 WeakPolarHBondContact CG-CE1 3.49Å; L133-H135 PolarHBondContact O-N 2.84Å; L133-N168 HydrophobicContact CB-CB 4.31Å
134	Q	96.5	Very high	96	Very high	16 Å²	16	46.4 Å²	46.4	8%	0.075	25%	0.251	C	S	.	.			trans	-70.1	129.2	171.8	-64.9	-51.9	-56.9	0	0	111.5	H164 F167 I169 Y178	Q134-H164 PolarHBondContact NE2-O 3.35Å; Q134-F167 VanDerWaalsContact CG-O 3.3Å; Q134-F167 WeakPolarHBondContact CG-O 3.41Å; Q134-F167 PolarHBondContact NE2-O 3.25Å; Q134-I169 HydrophobicContact CG-CD1 4.05Å; Q134-I169 HydrophobicContact CG-CG1 3.83Å; Q134-Y178 HydrophobicContact CB-CD2 3.77Å; Q134-Y178 HydrophobicContact CB-CE2 3.85Å
135	H	97.6	Very high	96.1	Very high	19 Å²	19	46.4 Å²	46.4	9%	0.088	25%	0.251	C	S	.	.			trans	-110.3	108.9	173.6	-66.3	-57.1	0	0	0	109.7	F90 K125 L133 V137 E138	F90-H135 AromaticContact CE2-CE1 3.97Å; F90-H135 AromaticContact CE2-NE2 3.53Å; K125-H135 PolarHBondContact O-NE2 2.73Å; L133-H135 VanDerWaalsContact CD2-CE1 3.46Å; L133-H135 WeakPolarHBondContact CD2-CE1 3.45Å; L133-H135 VanDerWaalsContact CG-CE1 3.42Å; L133-H135 WeakPolarHBondContact CG-CE1 3.49Å; L133-H135 PolarHBondContact O-N 2.84Å; H135-V137 HydrophobicContact CB-CG2 4.31Å; H135-V137 PolarHBondContact O-N 2.88Å; H135-V137 VanDerWaalsContact O-N 3.11Å; H135-E138 HydrophobicContact CB-CB 4.45Å; H135-E138 HydrophobicContact CB-CG 3.93Å; H135-E138 IonicContact CD2-OE1 3.68Å; H135-E138 IonicContact CD2-OE2 3.51Å; H135-E138 WeakPolarHBondContact O-CB 3.49Å; H135-E138 PolarHBondContact O-N 2.67Å
136	E	98.1	Very high	96.2	Very high	58 Å²	58	44.5 Å²	44.5	27%	0.271	24%	0.243	S	C	.	.	H	α-helix	trans	-56.7	-33.5	-176.7	-164.3	170.1	-169.6	0	0	113	E138 W139 Q140 Y178 K181 Y182	E136-E138 VanDerWaalsContact C-N 3.27Å; E136-E138 PolarHBondContact O-N 3.13Å; E136-W139 WeakPolarHBondContact O-CB 3.13Å; E136-W139 PolarHBondContact O-N 3.48Å; E136-Q140 HydrophobicContact CG-CG 4.38Å; E136-Q140 WeakPolarHBondContact O-CG 3.35Å; E136-Q140 PolarHBondContact O-N 3.33Å; E136-Y178 HydrophobicContact CB-CD1 4.42Å; E136-Y178 HydrophobicContact CB-CD2 4.13Å; E136-Y178 HydrophobicContact CB-CE1 3.96Å; E136-Y178 HydrophobicContact CB-CE2 3.67Å; E136-Y178 HydrophobicContact CG-CD1 3.9Å; E136-Y178 HydrophobicContact CG-CD2 4.41Å; E136-Y178 HydrophobicContact CG-CE1 3.65Å; E136-Y178 HydrophobicContact CG-CE2 4.22Å; E136-Y178 HydrophobicContact CG-CG 4.29Å; E136-K181 IonicContact OE1-NZ 3.9Å; E136-K181 PolarHBondContact OE1-NZ 3.14Å; E136-Y182 HydrophobicContact CG-CE2 3.66Å; E136-Y182 PolarHBondContact OE1-OH 3.27Å
137	V	98.3	Very high	96.4	Very high	66 Å²	66	49.5 Å²	49.5	40%	0.4	26%	0.262	S	S	.	.	H	α-helix	trans	-62.3	-30.7	178.2	-65	0	0	0	0	113.3	R89 H135 A141	R89-V137 HydrophobicContact CB-CG2 4Å; R89-V137 HydrophobicContact CG-CG2 4.48Å; H135-V137 HydrophobicContact CB-CG2 4.31Å; H135-V137 PolarHBondContact O-N 2.88Å; H135-V137 VanDerWaalsContact O-N 3.11Å; V137-A141 WeakPolarHBondContact O-CB 3.34Å; V137-A141 PolarHBondContact O-N 3.46Å
138	E	98.6	Very high	96.6	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.009	26%	0.261	C	S	.	.	H	α-helix	trans	-70.9	-42.7	176.2	-65.9	176.6	174.1	0	0	110.4	I87 S88 R89 T122 A124 H135 E136 A141 Y142	I87-E138 HydrophobicContact CG2-CB 4.11Å; I87-E138 WeakPolarHBondContact O-CB 3.4Å; I87-E138 VanDerWaalsContact O-CD 3.22Å; I87-E138 WeakPolarHBondContact O-CG 3.35Å; S88-E138 WeakPolarHBondContact CA-OE1 3.48Å; R89-E138 HydrophobicContact CB-CG 4.06Å; R89-E138 HydrophobicContact CG-CG 4.41Å; R89-E138 WeakPolarHBondContact CG-OE1 3.4Å; R89-E138 PolarHBondContact N-OE1 3.44Å; T122-E138 HydrophobicContact CG2-CB 3.9Å; A124-E138 WeakPolarHBondContact CA-OE2 3.49Å; A124-E138 PolarHBondContact N-OE2 3.01Å; H135-E138 HydrophobicContact CB-CB 4.45Å; H135-E138 HydrophobicContact CB-CG 3.93Å; H135-E138 IonicContact CD2-OE1 3.68Å; H135-E138 IonicContact CD2-OE2 3.51Å; H135-E138 WeakPolarHBondContact O-CB 3.49Å; H135-E138 PolarHBondContact O-N 2.67Å; E136-E138 VanDerWaalsContact C-N 3.27Å; E136-E138 PolarHBondContact O-N 3.13Å; E138-A141 WeakPolarHBondContact O-CB 3.27Å; E138-A141 PolarHBondContact O-N 3.29Å; E138-Y142 PolarHBondContact O-N 3.4Å
139	W	98.5	Very high	96.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.6	-41.2	174.5	-73.2	97.2	0	0	0	112.8	L121 T122 E136 A141 Y142 H143 D165 Y178 Y179 Y182	L121-W139 HydrophobicContact CD1-CH2 4.41Å; L121-W139 HydrophobicContact CD1-CZ3 4.14Å; T122-W139 HydrophobicContact CG2-CD2 3.6Å; T122-W139 HydrophobicContact CG2-CE3 4.02Å; T122-W139 HydrophobicContact CG2-CG 3.84Å; T122-W139 HydrophobicContact CG2-CH2 4.44Å; T122-W139 HydrophobicContact CG2-CZ2 4.11Å; T122-W139 HydrophobicContact CG2-CZ3 4.41Å; T122-W139 WeakPolarHBondContact OG1-CZ2 3.37Å; T122-W139 PolarHBondContact OG1-NE1 3.17Å; E136-W139 WeakPolarHBondContact O-CB 3.13Å; E136-W139 PolarHBondContact O-N 3.48Å; W139-A141 VanDerWaalsContact C-N 3.31Å; W139-A141 PolarHBondContact O-N 2.93Å; W139-Y142 PolarHBondContact O-N 2.94Å; W139-H143 WeakPolarHBondContact O-CB 3.32Å; W139-H143 PolarHBondContact O-N 2.79Å; W139-D165 HydrophobicContact CH2-CB 3.71Å; W139-D165 WeakPolarHBondContact CH2-OD1 3.4Å; W139-D165 HydrophobicContact CZ2-CB 3.71Å; W139-Y178 AromaticContact CD1-CD2 3.64Å; W139-Y178 AromaticContact CD1-CG 3.92Å; W139-Y178 HydrophobicContact CG-CD2 4.38Å; W139-Y178 HydrophobicContact CG-CG 4.26Å; W139-Y179 AromaticContact CH2-CD2 3.78Å; W139-Y179 HydrophobicContact CH2-CD2 3.78Å; W139-Y179 HydrophobicContact CH2-CG 4.19Å; W139-Y179 AromaticContact CZ3-CD2 3.88Å; W139-Y179 HydrophobicContact CZ3-CD2 3.88Å; W139-Y179 HydrophobicContact CZ3-CG 4.38Å; W139-Y182 HydrophobicContact CB-CD2 3.62Å; W139-Y182 HydrophobicContact CB-CE2 4.37Å; W139-Y182 HydrophobicContact CB-CG 3.89Å; W139-Y182 HydrophobicContact CG-CD2 4.46Å
140	Q	98.6	Very high	97.2	Very high	71 Å²	71	48 Å²	48	33%	0.332	24%	0.24	S	C	.	.	H	α-helix	trans	-61.5	-40.7	173.3	-73.1	173.4	-3	0	0	111.2	E136 H143 N144 Y182	E136-Q140 HydrophobicContact CG-CG 4.38Å; E136-Q140 WeakPolarHBondContact O-CG 3.35Å; E136-Q140 PolarHBondContact O-N 3.33Å; Q140-H143 PolarHBondContact O-N 2.91Å; Q140-N144 WeakPolarHBondContact O-CB 3.44Å; Q140-N144 PolarHBondContact O-N 2.96Å; Q140-N144 PolarHBondContact O-ND2 3.19Å; Q140-N144 VanDerWaalsContact O-ND2 3.09Å; Q140-Y182 HydrophobicContact CG-CD1 4.34Å; Q140-Y182 HydrophobicContact CG-CE1 3.62Å; Q140-Y182 HydrophobicContact CG-CE2 4.31Å; Q140-Y182 PolarHBondContact NE2-OH 3.06Å
141	A	98.6	Very high	97.6	Very high	19 Å²	19	42.5 Å²	42.5	16%	0.157	21%	0.206	C	C	.	.	H	α-helix	trans	-64	-45.8	176	0	0	0	0	0	112.1	I87 I96 V137 E138 W139 N144 A145	I87-A141 HydrophobicContact CG2-CB 3.88Å; I96-A141 HydrophobicContact CD1-CB 3.82Å; I96-A141 HydrophobicContact CG1-CB 4.28Å; V137-A141 WeakPolarHBondContact O-CB 3.34Å; V137-A141 PolarHBondContact O-N 3.46Å; E138-A141 WeakPolarHBondContact O-CB 3.27Å; E138-A141 PolarHBondContact O-N 3.29Å; W139-A141 VanDerWaalsContact C-N 3.31Å; W139-A141 PolarHBondContact O-N 2.93Å; A141-N144 PolarHBondContact O-N 2.89Å; A141-A145 WeakPolarHBondContact O-CB 3.39Å; A141-A145 PolarHBondContact O-N 3.3Å
142	Y	98.8	Very high	97.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-55.1	-53.8	172.8	177.4	-102.9	0	0	0	111.7	I85 I87 F99 L121 E138 W139 N144 A145 L146 W157 D159	I85-Y142 HydrophobicContact CD1-CD2 4.46Å; I85-Y142 HydrophobicContact CD1-CE2 3.89Å; I87-Y142 VanDerWaalsContact CD1-CA 3.5Å; I87-Y142 HydrophobicContact CD1-CD2 4.13Å; I87-Y142 HydrophobicContact CD1-CG 4.45Å; F99-Y142 AromaticContact CE1-CD2 3.65Å; F99-Y142 HydrophobicContact CE1-CD2 3.65Å; F99-Y142 AromaticContact CE1-CE2 3.85Å; F99-Y142 HydrophobicContact CE1-CE2 3.85Å; F99-Y142 AromaticContact CZ-CD2 3.92Å; F99-Y142 HydrophobicContact CZ-CD2 3.92Å; F99-Y142 AromaticContact CZ-CE2 3.62Å; F99-Y142 HydrophobicContact CZ-CE2 3.62Å; L121-Y142 HydrophobicContact CB-CD2 4.3Å; L121-Y142 HydrophobicContact CB-CE2 4.23Å; L121-Y142 HydrophobicContact CD1-CE1 4.1Å; L121-Y142 HydrophobicContact CD1-CE2 4.44Å; L121-Y142 HydrophobicContact CD2-CE2 4.14Å; L121-Y142 HydrophobicContact CG-CE2 4.5Å; E138-Y142 PolarHBondContact O-N 3.4Å; W139-Y142 PolarHBondContact O-N 2.94Å; Y142-N144 VanDerWaalsContact C-N 3.34Å; Y142-N144 PolarHBondContact O-N 2.99Å; Y142-A145 PolarHBondContact O-N 3.05Å; Y142-L146 HydrophobicContact CD1-CD1 4.21Å; Y142-L146 HydrophobicContact CE1-CD1 3.56Å; Y142-L146 HydrophobicContact CE1-CG 4.43Å; Y142-L146 HydrophobicContact CE2-CD1 4.41Å; Y142-L146 PolarHBondContact O-N 3.37Å; Y142-W157 PolarHBondContact OH-NE1 3.35Å; Y142-D159 WeakPolarHBondContact CE1-OD2 3.48Å; Y142-D159 WeakPolarHBondContact OH-CB 3.23Å; Y142-D159 PolarHBondContact OH-OD2 3.05Å
143	H	98.7	Very high	97.9	Very high	49 Å²	49	51.2 Å²	51.2	23%	0.227	24%	0.242	C	C	.	.	H	α-helix	trans	-59.3	-44.5	-179.9	-177.2	78.9	0	0	0	112.4	W139 Q140 A145 L146 K147 Y182	W139-H143 WeakPolarHBondContact O-CB 3.32Å; W139-H143 PolarHBondContact O-N 2.79Å; Q140-H143 PolarHBondContact O-N 2.91Å; H143-A145 VanDerWaalsContact C-N 3.34Å; H143-A145 PolarHBondContact O-N 3.38Å; H143-L146 PolarHBondContact O-N 3.4Å; H143-K147 WeakPolarHBondContact O-CB 3.34Å; H143-K147 PolarHBondContact O-N 2.9Å; H143-Y182 HydrophobicContact CB-CD1 3.86Å; H143-Y182 HydrophobicContact CB-CG 4.43Å; H143-Y182 WeakPolarHBondContact CB-O 3.46Å; H143-Y182 PolarHBondContact ND1-O 3.31Å; H143-Y182 VanDerWaalsContact ND1-O 3.08Å
144	N	98.6	Very high	98	Very high	69 Å²	69	53.2 Å²	53.2	37%	0.369	25%	0.246	S	C	.	.	H	α-helix	trans	-65.7	-37.4	179.9	-74	-24.2	0	0	0	111.8	Q140 A141 Y142 K147 K148	Q140-N144 WeakPolarHBondContact O-CB 3.44Å; Q140-N144 PolarHBondContact O-N 2.96Å; Q140-N144 PolarHBondContact O-ND2 3.19Å; Q140-N144 VanDerWaalsContact O-ND2 3.09Å; A141-N144 PolarHBondContact O-N 2.89Å; Y142-N144 VanDerWaalsContact C-N 3.34Å; Y142-N144 PolarHBondContact O-N 2.99Å; N144-K147 PolarHBondContact O-N 3.06Å; N144-K148 VanDerWaalsContact O-CB 3.29Å; N144-K148 WeakPolarHBondContact O-CB 3.35Å; N144-K148 VanDerWaalsContact O-CG 3.22Å; N144-K148 WeakPolarHBondContact O-CG 3.22Å; N144-K148 PolarHBondContact O-N 2.9Å
145	A	98.5	Very high	98	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.2	-44.9	175.4	0	0	0	0	0	111.5	F99 E100 A141 Y142 H143 K147 S149	F99-A145 HydrophobicContact CD1-CB 3.56Å; F99-A145 HydrophobicContact CE1-CB 3.77Å; E100-A145 HydrophobicContact CG-CB 3.6Å; A141-A145 WeakPolarHBondContact O-CB 3.39Å; A141-A145 PolarHBondContact O-N 3.3Å; Y142-A145 PolarHBondContact O-N 3.05Å; H143-A145 VanDerWaalsContact C-N 3.34Å; H143-A145 PolarHBondContact O-N 3.38Å; A145-K147 PolarHBondContact O-N 3.32Å; A145-S149 WeakPolarHBondContact O-CB 3.31Å; A145-S149 PolarHBondContact O-N 3Å; A145-S149 VanDerWaalsContact O-N 3.11Å; A145-S149 PolarHBondContact O-OG 2.9Å
146	L	98.5	Very high	98	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-62.1	-43.3	174.8	-64.1	-177.7	0	0	0	112.3	F99 Y142 H143 S149 R150 V151 M152 W157 A184	F99-L146 HydrophobicContact CE1-CD2 4.18Å; F99-L146 HydrophobicContact CE1-CG 4.46Å; F99-L146 HydrophobicContact CZ-CD2 3.81Å; F99-L146 HydrophobicContact CZ-CG 4.49Å; Y142-L146 HydrophobicContact CD1-CD1 4.21Å; Y142-L146 HydrophobicContact CE1-CD1 3.56Å; Y142-L146 HydrophobicContact CE1-CG 4.43Å; Y142-L146 HydrophobicContact CE2-CD1 4.41Å; Y142-L146 PolarHBondContact O-N 3.37Å; H143-L146 PolarHBondContact O-N 3.4Å; L146-S149 PolarHBondContact O-OG 3.27Å; L146-S149 VanDerWaalsContact O-OG 3.06Å; L146-R150 PolarHBondContact O-N 3.13Å; L146-V151 HydrophobicContact CB-CG1 4.41Å; L146-V151 HydrophobicContact CD2-CG1 3.64Å; L146-V151 PolarHBondContact O-N 2.93Å; L146-M152 HydrophobicContact CB-CE 4.13Å; L146-M152 HydrophobicContact CB-SD 4.38Å; L146-M152 HydrophobicContact CD1-SD 4.18Å; L146-W157 HydrophobicContact CD2-CD2 3.89Å; L146-W157 HydrophobicContact CD2-CE3 4.19Å; L146-W157 HydrophobicContact CD2-CG 4.47Å; L146-W157 HydrophobicContact CD2-CH2 4.01Å; L146-W157 HydrophobicContact CD2-CZ2 3.72Å; L146-W157 HydrophobicContact CD2-CZ3 4.24Å; L146-A184 HydrophobicContact CD1-CB 4Å
147	K	98.2	Very high	98	Very high	140 Å²	140	54 Å²	54	61%	0.609	25%	0.248	S	C	*	.	H	α-helix	trans	-68.4	-50.3	-179	-174.2	176.7	179.8	177.2	0	112.5	H143 N144 A145 S149 R150	H143-K147 WeakPolarHBondContact O-CB 3.34Å; H143-K147 PolarHBondContact O-N 2.9Å; N144-K147 PolarHBondContact O-N 3.06Å; A145-K147 PolarHBondContact O-N 3.32Å; K147-S149 VanDerWaalsContact C-N 3.32Å; K147-S149 PolarHBondContact O-N 3.12Å; K147-R150 PolarHBondContact O-N 3.13Å; K147-R150 VanDerWaalsContact O-N 3.15Å
148	K	97.8	Very high	98	Very high	144 Å²	144	51.1 Å²	51.1	63%	0.626	23%	0.23	S	C	*	.	H	α-helix	trans	-63.1	-39.3	-179.3	-71.9	174.9	-173.2	172.8	0	112	E100 N144 R150	E100-K148 IonicContact OE1-NZ 2.7Å; E100-K148 PolarHBondContact OE1-NZ 3.29Å; E100-K148 VanDerWaalsContact OE1-NZ 3.15Å; N144-K148 VanDerWaalsContact O-CB 3.29Å; N144-K148 WeakPolarHBondContact O-CB 3.35Å; N144-K148 VanDerWaalsContact O-CG 3.22Å; N144-K148 WeakPolarHBondContact O-CG 3.22Å; N144-K148 PolarHBondContact O-N 2.9Å; K148-R150 PolarHBondContact O-N 3.5Å
149	S	98	Very high	97.9	Very high	9 Å²	9	51 Å²	51	6%	0.063	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-11.7	178.5	64.2	0	0	0	0	113.8	C103 T104 A145 L146 K147 V151 R154	C103-S149 WeakPolarHBondContact CB-OG 3.47Å; T104-S149 VanDerWaalsContact CG2-CB 3.46Å; A145-S149 WeakPolarHBondContact O-CB 3.31Å; A145-S149 PolarHBondContact O-N 3Å; A145-S149 VanDerWaalsContact O-N 3.11Å; A145-S149 PolarHBondContact O-OG 2.9Å; L146-S149 PolarHBondContact O-OG 3.27Å; L146-S149 VanDerWaalsContact O-OG 3.06Å; K147-S149 VanDerWaalsContact C-N 3.32Å; K147-S149 PolarHBondContact O-N 3.12Å; S149-V151 PolarHBondContact O-N 3.14Å; S149-V151 WeakPolarHBondContact OG-CB 3.43Å; S149-V151 WeakPolarHBondContact OG-CG1 3.39Å; S149-V151 PolarHBondContact OG-N 3.29Å; S149-R154 PolarHBondContact O-NH2 3.44Å; S149-R154 VanDerWaalsContact O-NH2 3.13Å
150	R	98	Very high	97.8	Very high	147 Å²	147	51.9 Å²	51.9	56%	0.555	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.3	29.1	-174.1	-58.4	177.5	70.3	-173.4	-0.6	112	L146 K147 K148 M152 E153	L146-R150 PolarHBondContact O-N 3.13Å; K147-R150 PolarHBondContact O-N 3.13Å; K147-R150 VanDerWaalsContact O-N 3.15Å; K148-R150 PolarHBondContact O-N 3.5Å; R150-M152 VanDerWaalsContact C-N 3.26Å; R150-M152 PolarHBondContact O-N 2.99Å; R150-E153 HydrophobicContact CB-CG 4.35Å; R150-E153 WeakPolarHBondContact CG-OE1 3.41Å; R150-E153 IonicContact CZ-OE1 3.67Å; R150-E153 IonicContact CZ-OE2 3.78Å; R150-E153 VanDerWaalsContact NE-CD 3.28Å; R150-E153 IonicContact NE-OE1 3.15Å; R150-E153 PolarHBondContact NE-OE1 2.6Å; R150-E153 IonicContact NE-OE2 2.93Å; R150-E153 PolarHBondContact NE-OE2 2.73Å; R150-E153 IonicContact NH2-OE1 3.99Å; R150-E153 IonicContact NH2-OE2 3.76Å; R150-E153 PolarHBondContact NH2-OE2 2.76Å; R150-E153 WeakPolarHBondContact O-CB 3.4Å; R150-E153 PolarHBondContact O-N 3.12Å; R150-E153 VanDerWaalsContact O-N 3.1Å
151	V	98.3	Very high	97.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.7	-35.1	-172.7	68.1	0	0	0	0	111.4	C103 I107 L146 S149 E153 R154 T155 W157	C103-V151 HydrophobicContact CB-CB 4.07Å; C103-V151 HydrophobicContact CB-CG1 4.18Å; C103-V151 HydrophobicContact CB-CG2 4.3Å; I107-V151 HydrophobicContact CB-CG2 4.08Å; I107-V151 HydrophobicContact CG1-CG2 4.13Å; I107-V151 HydrophobicContact CG2-CG2 3.7Å; L146-V151 HydrophobicContact CB-CG1 4.41Å; L146-V151 HydrophobicContact CD2-CG1 3.64Å; L146-V151 PolarHBondContact O-N 2.93Å; S149-V151 PolarHBondContact O-N 3.14Å; S149-V151 WeakPolarHBondContact OG-CB 3.43Å; S149-V151 WeakPolarHBondContact OG-CG1 3.39Å; S149-V151 PolarHBondContact OG-N 3.29Å; V151-E153 PolarHBondContact O-N 3.04Å; V151-R154 PolarHBondContact O-N 2.97Å; V151-T155 HydrophobicContact CG2-CG2 4Å; V151-T155 PolarHBondContact O-N 3.29Å; V151-W157 HydrophobicContact CG1-CE3 3.87Å; V151-W157 HydrophobicContact CG1-CZ3 4.1Å; V151-W157 HydrophobicContact CG2-CE3 3.96Å; V151-W157 HydrophobicContact CG2-CZ3 3.96Å
152	M	97.4	Very high	97.5	Very high	81 Å²	81	48.8 Å²	48.8	40%	0.399	22%	0.219	S	C	.	.	H	α-helix	trans	-69.4	-15.7	178	-58.5	-171.7	-67.2	0	0	113.7	L146 R150 W157 A184	L146-M152 HydrophobicContact CB-CE 4.13Å; L146-M152 HydrophobicContact CB-SD 4.38Å; L146-M152 HydrophobicContact CD1-SD 4.18Å; R150-M152 VanDerWaalsContact C-N 3.26Å; R150-M152 PolarHBondContact O-N 2.99Å; M152-W157 HydrophobicContact CG-CB 3.92Å; M152-A184 HydrophobicContact SD-CB 3.66Å
153	E	96.4	Very high	97.4	Very high	128 Å²	128	50.8 Å²	50.8	60%	0.598	23%	0.23	S	C	*	.	H	α-helix	trans	-84.2	-19.6	173.3	-59.1	176.3	-143.2	0	0	111.8	R150 V151	R150-E153 HydrophobicContact CB-CG 4.35Å; R150-E153 WeakPolarHBondContact CG-OE1 3.41Å; R150-E153 IonicContact CZ-OE1 3.67Å; R150-E153 IonicContact CZ-OE2 3.78Å; R150-E153 VanDerWaalsContact NE-CD 3.28Å; R150-E153 IonicContact NE-OE1 3.15Å; R150-E153 PolarHBondContact NE-OE1 2.6Å; R150-E153 IonicContact NE-OE2 2.93Å; R150-E153 PolarHBondContact NE-OE2 2.73Å; R150-E153 IonicContact NH2-OE1 3.99Å; R150-E153 IonicContact NH2-OE2 3.76Å; R150-E153 PolarHBondContact NH2-OE2 2.76Å; R150-E153 WeakPolarHBondContact O-CB 3.4Å; R150-E153 PolarHBondContact O-N 3.12Å; R150-E153 VanDerWaalsContact O-N 3.1Å; V151-E153 PolarHBondContact O-N 3.04Å
154	R	95.8	Very high	97.3	Very high	99 Å²	99	49.1 Å²	49.1	37%	0.374	22%	0.223	S	C	.	.	H	α-helix	trans	-104.3	-29.4	-174.7	-66.9	-177.6	-70	128.6	3	113.4	C103 D108 S149 V151	C103-R154 PolarHBondContact O-NH2 2.91Å; D108-R154 IonicContact OD1-CZ 3.14Å; D108-R154 IonicContact OD1-NH1 3.73Å; D108-R154 PolarHBondContact OD1-NH1 2.93Å; S149-R154 PolarHBondContact O-NH2 3.44Å; S149-R154 VanDerWaalsContact O-NH2 3.13Å; V151-R154 PolarHBondContact O-N 2.97Å
155	T	96.5	Very high	97.1	Very high	12 Å²	12	45.9 Å²	45.9	7%	0.074	21%	0.205	C	C	.	.	S	Bend	trans	-145.9	154.7	178.1	-172.4	0	0	0	0	110.7	I107 P112 V115 V151 W157	I107-T155 HydrophobicContact CG2-CG2 3.66Å; P112-T155 PolarHBondContact O-OG1 2.84Å; V115-T155 HydrophobicContact CG2-CG2 3.73Å; V151-T155 HydrophobicContact CG2-CG2 4Å; V151-T155 PolarHBondContact O-N 3.29Å; T155-W157 PolarHBondContact O-N 2.71Å; T155-W157 VanDerWaalsContact O-N 3.16Å
156	K	97.5	Very high	97	Very high	88 Å²	88	45.9 Å²	45.9	38%	0.383	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	110	175.9	178.8	63.2	178.1	177.4	0	109.4	L114 V115 I158 Y193	L114-K156 CarbonylContact C-O 3.51Å; L114-K156 WeakPolarHBondContact CA-O 3.26Å; L114-K156 HydrophobicContact CB-CB 3.9Å; L114-K156 HydrophobicContact CB-CG 4.29Å; L114-K156 WeakPolarHBondContact CB-O 3.39Å; V115-K156 PolarHBondContact N-O 3.47Å; K156-I158 HydrophobicContact CD-CG1 4.45Å; K156-I158 HydrophobicContact CG-CD1 4.08Å; K156-I158 HydrophobicContact CG-CG1 3.98Å; K156-Y193 HydrophobicContact CD-CE2 4.41Å; K156-Y193 HydrophobicContact CG-CE1 4.15Å; K156-Y193 HydrophobicContact CG-CE2 4.34Å
157	W	98.2	Very high	96.8	Very high	10 Å²	10	45.8 Å²	45.8	4%	0.038	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.2	173.5	-163.9	-80.1	0	0	0	110.7	V82 F99 F102 V115 A117 Y142 L146 V151 M152 T155 A184	V82-W157 HydrophobicContact CG1-CH2 4.41Å; V82-W157 HydrophobicContact CG1-CZ2 4.36Å; F99-W157 AromaticContact CE2-CH2 3.67Å; F99-W157 HydrophobicContact CE2-CH2 3.67Å; F99-W157 AromaticContact CE2-CZ2 3.81Å; F99-W157 HydrophobicContact CE2-CZ2 3.81Å; F99-W157 AromaticContact CZ-CH2 3.83Å; F99-W157 HydrophobicContact CZ-CH2 3.83Å; F99-W157 AromaticContact CZ-CZ2 3.67Å; F99-W157 HydrophobicContact CZ-CZ2 3.67Å; F102-W157 HydrophobicContact CD1-CH2 4.3Å; F102-W157 AromaticContact CE1-CH2 3.83Å; F102-W157 HydrophobicContact CE1-CH2 3.83Å; F102-W157 HydrophobicContact CE1-CZ3 4.16Å; V115-W157 HydrophobicContact CB-CD2 4.22Å; V115-W157 HydrophobicContact CB-CE3 3.71Å; V115-W157 HydrophobicContact CB-CZ3 4.04Å; V115-W157 HydrophobicContact CG1-CD2 4.21Å; V115-W157 HydrophobicContact CG1-CE3 3.75Å; V115-W157 HydrophobicContact CG1-CH2 3.95Å; V115-W157 HydrophobicContact CG1-CZ2 4.35Å; V115-W157 HydrophobicContact CG1-CZ3 3.62Å; V115-W157 HydrophobicContact CG2-CE3 4.1Å; V115-W157 HydrophobicContact CG2-CZ3 4.25Å; A117-W157 HydrophobicContact CB-CZ2 4.02Å; Y142-W157 PolarHBondContact OH-NE1 3.35Å; L146-W157 HydrophobicContact CD2-CD2 3.89Å; L146-W157 HydrophobicContact CD2-CE3 4.19Å; L146-W157 HydrophobicContact CD2-CG 4.47Å; L146-W157 HydrophobicContact CD2-CH2 4.01Å; L146-W157 HydrophobicContact CD2-CZ2 3.72Å; L146-W157 HydrophobicContact CD2-CZ3 4.24Å; V151-W157 HydrophobicContact CG1-CE3 3.87Å; V151-W157 HydrophobicContact CG1-CZ3 4.1Å; V151-W157 HydrophobicContact CG2-CE3 3.96Å; V151-W157 HydrophobicContact CG2-CZ3 3.96Å; M152-W157 HydrophobicContact CG-CB 3.92Å; T155-W157 PolarHBondContact O-N 2.71Å; T155-W157 VanDerWaalsContact O-N 3.16Å; W157-A184 HydrophobicContact CB-CB 4.45Å; W157-A184 VanDerWaalsContact CD1-CB 3.5Å; W157-A184 HydrophobicContact CG-CB 4.26Å
158	I	97.8	Very high	96.5	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	112.7	179.1	-59	173.3	0	0	0	107.7	V115 L116 A117 K156 F191 Y193	V115-I158 PolarHBondContact O-N 2.72Å; L116-I158 CarbonylContact C-O 3.58Å; L116-I158 WeakPolarHBondContact CA-O 3.28Å; L116-I158 HydrophobicContact CD2-CB 3.98Å; L116-I158 HydrophobicContact CD2-CD1 4.15Å; L116-I158 HydrophobicContact CD2-CG2 4.35Å; A117-I158 PolarHBondContact N-O 2.87Å; K156-I158 HydrophobicContact CD-CG1 4.45Å; K156-I158 HydrophobicContact CG-CD1 4.08Å; K156-I158 HydrophobicContact CG-CG1 3.98Å; I158-F191 HydrophobicContact CG2-CE2 3.64Å; I158-F191 HydrophobicContact CG2-CZ 3.63Å; I158-Y193 HydrophobicContact CD1-CD1 3.36Å; I158-Y193 HydrophobicContact CD1-CD2 4.37Å; I158-Y193 HydrophobicContact CD1-CE1 4Å; I158-Y193 HydrophobicContact CD1-CG 3.57Å
159	D	97.9	Very high	96.3	Very high	1 Å²	1	35 Å²	35	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	151.2	174.6	57.6	15.7	0	0	0	112.3	A117 L121 Y142 Y179 S183 A184 N185	A117-D159 HydrophobicContact CB-CB 3.86Å; A117-D159 WeakPolarHBondContact O-CA 3.42Å; L121-D159 HydrophobicContact CD1-CB 3.98Å; L121-D159 HydrophobicContact CD2-CB 4.45Å; Y142-D159 WeakPolarHBondContact CE1-OD2 3.48Å; Y142-D159 WeakPolarHBondContact OH-CB 3.23Å; Y142-D159 PolarHBondContact OH-OD2 3.05Å; D159-Y179 PolarHBondContact O-OH 3.25Å; D159-Y179 PolarHBondContact OD1-OH 3.3Å; D159-S183 WeakPolarHBondContact OD2-CB 3.32Å; D159-A184 PolarHBondContact OD1-N 2.88Å; D159-A184 WeakPolarHBondContact OD2-CB 3.49Å; D159-A184 PolarHBondContact OD2-N 2.7Å; D159-N185 VanDerWaalsContact OD1-CB 3.25Å; D159-N185 WeakPolarHBondContact OD1-CB 3.43Å; D159-N185 PolarHBondContact OD1-N 3.49Å
160	I	96.7	Very high	95.9	Very high	18 Å²	18	42 Å²	42	9%	0.092	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	157.3	172.4	-167.5	148.7	0	0	0	109.2	A117 G119 F191 C206 V207 D208	A117-I160 PolarHBondContact O-N 2.93Å; G119-I160 WeakPolarHBondContact CA-O 3.32Å; G119-I160 PolarHBondContact N-O 3.03Å; G119-I160 VanDerWaalsContact N-O 3.14Å; I160-F191 HydrophobicContact CD1-CE1 4Å; I160-C206 HydrophobicContact CD1-CB 3.65Å; I160-V207 VanDerWaalsContact CD1-C 3.46Å; I160-D208 HydrophobicContact CD1-CB 4.1Å; I160-D208 HydrophobicContact CG1-CB 4.37Å
161	R	95.7	Very high	95.6	Very high	12 Å²	12	37.2 Å²	37.2	5%	0.045	18%	0.183	C	C	.	.			trans	-74.2	142.5	-176.8	-65.7	-172.2	-61.9	153.4	3.4	112	D165 L172 Y179 D208 T210	R161-D165 HydrophobicContact CB-CB 4.03Å; R161-D165 HydrophobicContact CG-CB 4.15Å; R161-L172 VanDerWaalsContact NH2-CD2 3.34Å; R161-Y179 HydrophobicContact CG-CD1 3.77Å; R161-Y179 HydrophobicContact CG-CD2 3.34Å; R161-Y179 HydrophobicContact CG-CE1 4.06Å; R161-Y179 HydrophobicContact CG-CE2 3.66Å; R161-Y179 HydrophobicContact CG-CG 3.41Å; R161-Y179 VanDerWaalsContact CG-CG 3.41Å; R161-D208 IonicContact CZ-OD2 3.64Å; R161-D208 IonicContact NE-OD2 2.92Å; R161-D208 PolarHBondContact NE-OD2 3.38Å; R161-D208 VanDerWaalsContact NE-OD2 3.16Å; R161-D208 IonicContact NH2-OD1 3.96Å; R161-D208 IonicContact NH2-OD2 3.92Å; R161-D208 PolarHBondContact NH2-OD2 3.01Å; R161-T210 HydrophobicContact CB-CG2 3.88Å; R161-T210 VanDerWaalsContact CZ-OG1 3.29Å; R161-T210 PolarHBondContact NH2-OG1 2.85Å
162	G	95.2	Very high	95.2	Very high	12 Å²	12	39.8 Å²	39.8	12%	0.124	20%	0.197	C	C	.	.			trans	-100	-178.6	158.5	0	0	0	0	0	111.5	G119 D120 H164 D165 A166 T210	G119-G162 VanDerWaalsContact CA-N 3.27Å; D120-G162 VanDerWaalsContact OD1-C 3.27Å; D120-G162 VanDerWaalsContact OD1-CA 3.27Å; D120-G162 WeakPolarHBondContact OD1-CA 3.24Å; G162-H164 VanDerWaalsContact C-N 3.25Å; G162-H164 PolarHBondContact O-N 3.39Å; G162-D165 PolarHBondContact N-OD2 3.23Å; G162-D165 WeakPolarHBondContact O-CB 3.31Å; G162-D165 PolarHBondContact O-N 3.18Å; G162-A166 PolarHBondContact O-N 2.7Å; G162-T210 VanDerWaalsContact O-CG2 3.24Å; G162-T210 WeakPolarHBondContact O-CG2 3.28Å
163	N	94.8	Very high	94.8	Very high	42 Å²	42	42.2 Å²	42.2	23%	0.225	21%	0.211	C	C	.	.	S	Bend	trans	-66.2	-29.9	-178.6	62.8	-61	0	0	0	112	D120 D165 A166 F167 N220	D120-N163 PolarHBondContact OD1-N 3.45Å; D120-N163 VanDerWaalsContact OD1-N 3.09Å; D120-N163 PolarHBondContact OD1-OD1 3.06Å; D120-N163 PolarHBondContact OD2-OD1 3.5Å; N163-D165 VanDerWaalsContact C-N 3.32Å; N163-D165 PolarHBondContact O-N 3.5Å; N163-A166 PolarHBondContact O-N 2.96Å; N163-A166 VanDerWaalsContact O-N 3.13Å; N163-F167 PolarHBondContact O-N 2.9Å; N163-N220 PolarHBondContact ND2-O 3.5Å; N163-N220 PolarHBondContact O-ND2 2.83Å
164	H	96.6	Very high	94.5	Very high	15 Å²	15	37.1 Å²	37.1	7%	0.069	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-65	-39	175.8	-76.3	-115.9	0	0	0	112.3	H86 D120 T122 D123 A124 K125 Q134 G162 A166 F167	H86-H164 AromaticContact CE1-CD2 3.61Å; H86-H164 AromaticContact CE1-CE1 3.6Å; H86-H164 AromaticContact CE1-CG 3.56Å; H86-H164 AromaticContact CE1-ND1 3.52Å; H86-H164 AromaticContact CE1-NE2 3.71Å; H86-H164 AromaticContact ND1-CE1 3.81Å; H86-H164 AromaticContact ND1-CG 3.82Å; H86-H164 AromaticContact ND1-ND1 3.47Å; H86-H164 PolarHBondContact ND1-ND1 3.43Å; D120-H164 HydrophobicContact CB-CB 4.34Å; D120-H164 VanDerWaalsContact CG-CD2 3.49Å; D120-H164 VanDerWaalsContact OD1-CB 3.32Å; D120-H164 WeakPolarHBondContact OD1-CB 3.49Å; D120-H164 IonicContact OD1-CD2 2.7Å; D120-H164 IonicContact OD1-CG 3.82Å; D120-H164 PolarHBondContact OD1-N 3.26Å; D120-H164 IonicContact OD2-CD2 3.77Å; D120-H164 PolarHBondContact OD2-CD2 2.95Å; D120-H164 IonicContact OD2-CG 2.66Å; D120-H164 IonicContact OD2-NE2 3.05Å; T122-H164 WeakPolarHBondContact O-CB 3.43Å; D123-H164 PolarHBondContact O-ND1 3.33Å; D123-H164 IonicContact OD1-CE1 2.71Å; D123-H164 IonicContact OD1-ND1 3.16Å; A124-H164 VanDerWaalsContact CB-O 3.31Å; A124-H164 WeakPolarHBondContact CB-O 3.44Å; K125-H164 PolarHBondContact NZ-CE1 3.11Å; K125-H164 VanDerWaalsContact NZ-CE1 3.35Å; Q134-H164 PolarHBondContact NE2-O 3.35Å; G162-H164 VanDerWaalsContact C-N 3.25Å; G162-H164 PolarHBondContact O-N 3.39Å; H164-A166 PolarHBondContact O-N 2.93Å; H164-A166 VanDerWaalsContact O-N 3.13Å; H164-F167 HydrophobicContact CB-CD2 4.25Å; H164-F167 HydrophobicContact CB-CE2 4Å; H164-F167 AromaticContact CD2-CE2 3.83Å; H164-F167 AromaticContact CE1-CE2 3.68Å; H164-F167 AromaticContact CG-CE2 3.55Å; H164-F167 AromaticContact ND1-CE2 3.48Å; H164-F167 WeakPolarHBondContact ND1-CE2 3.2Å; H164-F167 AromaticContact NE2-CE2 3.88Å; H164-F167 AromaticContact NE2-CZ 3.97Å; H164-F167 WeakPolarHBondContact O-CD2 3.47Å; H164-F167 PolarHBondContact O-N 2.97Å
165	D	96.1	Very high	94.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-69	-9.7	176.7	-54.7	-46.9	0	0	0	112.9	D120 L121 T122 W139 R161 G162 N163 I169	D120-D165 WeakPolarHBondContact CA-OD2 3.18Å; D120-D165 PolarHBondContact N-OD2 3.39Å; L121-D165 PolarHBondContact N-OD1 2.99Å; L121-D165 VanDerWaalsContact N-OD1 3.12Å; L121-D165 PolarHBondContact N-OD2 2.66Å; L121-D165 VanDerWaalsContact N-OD2 3.14Å; T122-D165 PolarHBondContact N-OD1 3.25Å; T122-D165 PolarHBondContact OG1-OD1 3.15Å; T122-D165 VanDerWaalsContact OG1-OD1 3.04Å; W139-D165 HydrophobicContact CH2-CB 3.71Å; W139-D165 WeakPolarHBondContact CH2-OD1 3.4Å; W139-D165 HydrophobicContact CZ2-CB 3.71Å; R161-D165 HydrophobicContact CB-CB 4.03Å; R161-D165 HydrophobicContact CG-CB 4.15Å; G162-D165 PolarHBondContact N-OD2 3.23Å; G162-D165 WeakPolarHBondContact O-CB 3.31Å; G162-D165 PolarHBondContact O-N 3.18Å; N163-D165 VanDerWaalsContact C-N 3.32Å; N163-D165 PolarHBondContact O-N 3.5Å; D165-I169 VanDerWaalsContact O-CD1 3.26Å; D165-I169 WeakPolarHBondContact O-CD1 3.33Å
166	A	94.6	Very high	94.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-107.1	-8.9	179.5	0	0	0	0	0	114.1	G162 N163 H164 N168 I169 T210 G214	G162-A166 PolarHBondContact O-N 2.7Å; N163-A166 PolarHBondContact O-N 2.96Å; N163-A166 VanDerWaalsContact O-N 3.13Å; H164-A166 PolarHBondContact O-N 2.93Å; H164-A166 VanDerWaalsContact O-N 3.13Å; A166-N168 PolarHBondContact O-N 2.85Å; A166-I169 PolarHBondContact O-N 3.42Å; A166-T210 HydrophobicContact CB-CG2 4.24Å; A166-G214 CarbonylContact O-C 3.52Å; A166-G214 VanDerWaalsContact O-CA 3.26Å; A166-G214 WeakPolarHBondContact O-CA 3.45Å
167	F	94.6	Very high	93.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	132.5	-175.8	-73.7	-46.1	0	0	0	112.9	A124 S132 Q134 N163 H164 I169 P215 R217 N220	A124-F167 HydrophobicContact CB-CB 4.45Å; A124-F167 HydrophobicContact CB-CD2 3.92Å; S132-F167 VanDerWaalsContact CB-CG 3.49Å; S132-F167 WeakPolarHBondContact OG-CD1 3.12Å; S132-F167 VanDerWaalsContact OG-CG 3.24Å; S132-F167 WeakPolarHBondContact OG-CG 3.34Å; Q134-F167 VanDerWaalsContact CG-O 3.3Å; Q134-F167 WeakPolarHBondContact CG-O 3.41Å; Q134-F167 PolarHBondContact NE2-O 3.25Å; N163-F167 PolarHBondContact O-N 2.9Å; H164-F167 HydrophobicContact CB-CD2 4.25Å; H164-F167 HydrophobicContact CB-CE2 4Å; H164-F167 AromaticContact CD2-CE2 3.83Å; H164-F167 AromaticContact CE1-CE2 3.68Å; H164-F167 AromaticContact CG-CE2 3.55Å; H164-F167 AromaticContact ND1-CE2 3.48Å; H164-F167 WeakPolarHBondContact ND1-CE2 3.2Å; H164-F167 AromaticContact NE2-CE2 3.88Å; H164-F167 AromaticContact NE2-CZ 3.97Å; H164-F167 WeakPolarHBondContact O-CD2 3.47Å; H164-F167 PolarHBondContact O-N 2.97Å; F167-I169 VanDerWaalsContact C-N 3.26Å; F167-I169 PolarHBondContact O-N 3.39Å; F167-P215 WeakPolarHBondContact CD1-O 3.45Å; F167-R217 HydrophobicContact CD1-CG 4.25Å; F167-R217 HydrophobicContact CE1-CG 3.46Å; F167-R217 VanDerWaalsContact CE1-CG 3.46Å; F167-R217 HydrophobicContact CE2-CG 4.12Å; F167-R217 HydrophobicContact CZ-CG 3.44Å; F167-R217 VanDerWaalsContact CZ-CG 3.44Å; F167-N220 HydrophobicContact CD1-CB 3.79Å; F167-N220 HydrophobicContact CE1-CB 3.66Å
168	N	93.3	Very high	93.9	Very high	53 Å²	53	37.5 Å²	37.5	28%	0.283	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	30.7	176.7	-163.1	47.2	0	0	0	114.3	L133 A166 G214 K216	L133-N168 HydrophobicContact CB-CB 4.31Å; A166-N168 PolarHBondContact O-N 2.85Å; N168-G214 WeakPolarHBondContact CA-O 3.35Å; N168-G214 PolarHBondContact N-O 3.19Å; N168-K216 HydrophobicContact CB-CG 3.9Å; N168-K216 WeakPolarHBondContact OD1-CE 3.26Å
169	I	92.8	Very high	93.8	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.021	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-102.7	113.3	174.5	-62.7	-177	0	0	0	108.8	Q134 D165 A166 F167 S171 N177 P213 G214	Q134-I169 HydrophobicContact CG-CD1 4.05Å; Q134-I169 HydrophobicContact CG-CG1 3.83Å; D165-I169 VanDerWaalsContact O-CD1 3.26Å; D165-I169 WeakPolarHBondContact O-CD1 3.33Å; A166-I169 PolarHBondContact O-N 3.42Å; F167-I169 VanDerWaalsContact C-N 3.26Å; F167-I169 PolarHBondContact O-N 3.39Å; I169-S171 WeakPolarHBondContact CG2-O 3.47Å; I169-N177 HydrophobicContact CD1-CB 4.07Å; I169-N177 HydrophobicContact CG2-CB 4.06Å; I169-P213 CarbonylContact O-C 3.5Å; I169-P213 WeakPolarHBondContact O-CA 3.47Å; I169-G214 PolarHBondContact N-O 3.12Å; I169-G214 PolarHBondContact O-N 3.44Å
170	M	89.8	Confident	93.6	Very high	155 Å²	155	41 Å²	41	76%	0.764	22%	0.219	S	C	*	.	S	Bend	trans	-72.1	-29.6	-178.5	-69	-176.8	66.8	0	0	113.8	P213	M170-P213 WeakPolarHBondContact O-CB 3.38Å
171	S	91.1	Very high	93.5	Very high	47 Å²	47	45.3 Å²	45.3	33%	0.329	24%	0.237	S	C	.	.			trans	-159.3	161.2	178.9	68.3	0	0	0	0	110.2	I169 D173 S174	I169-S171 WeakPolarHBondContact CG2-O 3.47Å; S171-D173 PolarHBondContact O-N 2.79Å; S171-D173 VanDerWaalsContact O-N 3.12Å; S171-D173 PolarHBondContact OG-N 2.89Å; S171-S174 WeakPolarHBondContact O-CB 3.44Å; S171-S174 PolarHBondContact O-N 3.04Å; S171-S174 PolarHBondContact OG-N 3.12Å; S171-S174 VanDerWaalsContact OG-N 3.16Å
172	L	89.6	Confident	93.6	Very high	55 Å²	55	45.9 Å²	45.9	29%	0.288	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.8	175.9	-62.7	-178.7	0	0	0	113.3	R161 N177 R180 V188 T212	R161-L172 VanDerWaalsContact NH2-CD2 3.34Å; L172-N177 PolarHBondContact O-ND2 3.47Å; L172-R180 VanDerWaalsContact C-NH2 3.27Å; L172-R180 PolarHBondContact O-NH2 2.6Å; L172-V188 HydrophobicContact CB-CG1 3.94Å; L172-V188 HydrophobicContact CD1-CG1 3.41Å; L172-V188 VanDerWaalsContact CD1-CG1 3.41Å; L172-V188 HydrophobicContact CD2-CG1 3.39Å; L172-V188 HydrophobicContact CG-CG1 3.68Å; L172-T212 HydrophobicContact CD2-CG2 3.9Å; L172-T212 WeakPolarHBondContact CD2-OG1 3.46Å; L172-T212 HydrophobicContact CG-CG2 3.81Å
173	D	90.3	Very high	93.7	Very high	132 Å²	132	45.4 Å²	45.4	71%	0.706	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-2.2	177.8	-59.3	-46.8	0	0	0	114.4	S171 V175 R180	S171-D173 PolarHBondContact O-N 2.79Å; S171-D173 VanDerWaalsContact O-N 3.12Å; S171-D173 PolarHBondContact OG-N 2.89Å; D173-V175 PolarHBondContact O-N 3.44Å; D173-R180 VanDerWaalsContact C-CZ 3.48Å; D173-R180 PolarHBondContact O-NH1 3.04Å; D173-R180 PolarHBondContact O-NH2 3.41Å; D173-R180 VanDerWaalsContact O-NH2 3.08Å
174	S	90.2	Very high	93.8	Very high	20 Å²	20	44.8 Å²	44.8	14%	0.14	23%	0.234	C	C	.	.			trans	-57.8	135.1	175.3	-177.6	0	0	0	0	113.6	S171 N176 N177 R180	S171-S174 WeakPolarHBondContact O-CB 3.44Å; S171-S174 PolarHBondContact O-N 3.04Å; S171-S174 PolarHBondContact OG-N 3.12Å; S171-S174 VanDerWaalsContact OG-N 3.16Å; S174-N176 PolarHBondContact O-N 2.89Å; S174-N176 PolarHBondContact OG-N 3.24Å; S174-N177 WeakPolarHBondContact O-CB 3.36Å; S174-N177 PolarHBondContact O-N 3.37Å; S174-R180 VanDerWaalsContact O-CZ 3.3Å; S174-R180 PolarHBondContact O-NH1 2.92Å; S174-R180 PolarHBondContact O-NH2 2.96Å
175	V	91.8	Very high	93.5	Very high	121 Å²	121	45.4 Å²	45.4	73%	0.733	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-21.8	176.6	-63.7	0	0	0	0	114.1	D173 N177	D173-V175 PolarHBondContact O-N 3.44Å; V175-N177 VanDerWaalsContact C-N 3.33Å
176	N	90.8	Very high	93.2	Very high	64 Å²	64	50.1 Å²	50.1	34%	0.342	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-1	177.9	-61.7	-20.9	0	0	0	113.2	S174 Y178	S174-N176 PolarHBondContact O-N 2.89Å; S174-N176 PolarHBondContact OG-N 3.24Å; N176-Y178 PolarHBondContact O-N 3.27Å
177	N	94.7	Very high	92.8	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	28%	0.284	C	S	.	.			trans	-78.4	76.6	170.7	-177.3	7.9	0	0	0	109.9	I169 L172 S174 V175 Y179 R180	I169-N177 HydrophobicContact CD1-CB 4.07Å; I169-N177 HydrophobicContact CG2-CB 4.06Å; L172-N177 PolarHBondContact O-ND2 3.47Å; S174-N177 WeakPolarHBondContact O-CB 3.36Å; S174-N177 PolarHBondContact O-N 3.37Å; V175-N177 VanDerWaalsContact C-N 3.33Å; N177-Y179 PolarHBondContact O-N 3.32Å; N177-Y179 WeakPolarHBondContact OD1-CB 3.49Å; N177-R180 VanDerWaalsContact CB-NH2 3.3Å; N177-R180 WeakPolarHBondContact O-CG 3.41Å; N177-R180 PolarHBondContact O-N 3.34Å
178	Y	96.9	Very high	92.3	Very high	31 Å²	31	58 Å²	58	12%	0.122	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-18	-177.8	-65.3	-46.2	0	0	0	113.6	Q134 E136 W139 N176 R180 K181 Y182	Q134-Y178 HydrophobicContact CB-CD2 3.77Å; Q134-Y178 HydrophobicContact CB-CE2 3.85Å; E136-Y178 HydrophobicContact CB-CD1 4.42Å; E136-Y178 HydrophobicContact CB-CD2 4.13Å; E136-Y178 HydrophobicContact CB-CE1 3.96Å; E136-Y178 HydrophobicContact CB-CE2 3.67Å; E136-Y178 HydrophobicContact CG-CD1 3.9Å; E136-Y178 HydrophobicContact CG-CD2 4.41Å; E136-Y178 HydrophobicContact CG-CE1 3.65Å; E136-Y178 HydrophobicContact CG-CE2 4.22Å; E136-Y178 HydrophobicContact CG-CG 4.29Å; W139-Y178 AromaticContact CD1-CD2 3.64Å; W139-Y178 AromaticContact CD1-CG 3.92Å; W139-Y178 HydrophobicContact CG-CD2 4.38Å; W139-Y178 HydrophobicContact CG-CG 4.26Å; N176-Y178 PolarHBondContact O-N 3.27Å; Y178-R180 PolarHBondContact O-N 2.92Å; Y178-K181 PolarHBondContact O-N 3.13Å; Y178-Y182 HydrophobicContact CD1-CD2 4.4Å; Y178-Y182 HydrophobicContact CD1-CE2 4.09Å; Y178-Y182 HydrophobicContact CG-CD2 4.45Å; Y178-Y182 HydrophobicContact CG-CE2 4.49Å; Y178-Y182 PolarHBondContact O-N 2.96Å
179	Y	96.6	Very high	92.1	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-54.7	-41.9	171.1	178.8	-91.2	0	0	0	111.4	L121 W139 D159 R161 N177 K181 S183 K187	L121-Y179 HydrophobicContact CD1-CD2 4.24Å; L121-Y179 HydrophobicContact CD1-CE2 4.13Å; W139-Y179 AromaticContact CH2-CD2 3.78Å; W139-Y179 HydrophobicContact CH2-CD2 3.78Å; W139-Y179 HydrophobicContact CH2-CG 4.19Å; W139-Y179 AromaticContact CZ3-CD2 3.88Å; W139-Y179 HydrophobicContact CZ3-CD2 3.88Å; W139-Y179 HydrophobicContact CZ3-CG 4.38Å; D159-Y179 PolarHBondContact O-OH 3.25Å; D159-Y179 PolarHBondContact OD1-OH 3.3Å; R161-Y179 HydrophobicContact CG-CD1 3.77Å; R161-Y179 HydrophobicContact CG-CD2 3.34Å; R161-Y179 HydrophobicContact CG-CE1 4.06Å; R161-Y179 HydrophobicContact CG-CE2 3.66Å; R161-Y179 HydrophobicContact CG-CG 3.41Å; R161-Y179 VanDerWaalsContact CG-CG 3.41Å; N177-Y179 PolarHBondContact O-N 3.32Å; N177-Y179 WeakPolarHBondContact OD1-CB 3.49Å; Y179-K181 PolarHBondContact O-N 2.91Å; Y179-K181 VanDerWaalsContact O-N 3.14Å; Y179-S183 VanDerWaalsContact CD2-CB 3.46Å; Y179-S183 WeakPolarHBondContact O-CB 3.21Å; Y179-S183 PolarHBondContact O-N 3.01Å; Y179-S183 VanDerWaalsContact O-N 3.13Å; Y179-S183 PolarHBondContact O-OG 3.45Å; Y179-K187 VanDerWaalsContact CE1-O 3.28Å; Y179-K187 WeakPolarHBondContact CE1-O 3.28Å
180	R	94.1	Very high	92	Very high	78 Å²	78	58.2 Å²	58.2	29%	0.294	31%	0.308	S	S	.	.	H	α-helix	trans	-63.2	-23.4	178	91	173	65.9	133.5	15	113.7	L172 D173 S174 N177 Y178 Q186	L172-R180 VanDerWaalsContact C-NH2 3.27Å; L172-R180 PolarHBondContact O-NH2 2.6Å; D173-R180 VanDerWaalsContact C-CZ 3.48Å; D173-R180 PolarHBondContact O-NH1 3.04Å; D173-R180 PolarHBondContact O-NH2 3.41Å; D173-R180 VanDerWaalsContact O-NH2 3.08Å; S174-R180 VanDerWaalsContact O-CZ 3.3Å; S174-R180 PolarHBondContact O-NH1 2.92Å; S174-R180 PolarHBondContact O-NH2 2.96Å; N177-R180 VanDerWaalsContact CB-NH2 3.3Å; N177-R180 WeakPolarHBondContact O-CG 3.41Å; N177-R180 PolarHBondContact O-N 3.34Å; Y178-R180 PolarHBondContact O-N 2.92Å; R180-Q186 WeakPolarHBondContact O-CB 3.27Å
181	K	94.8	Very high	92.1	Very high	108 Å²	108	52 Å²	52	47%	0.47	28%	0.277	S	S	.	.	H	α-helix	trans	-99.2	-35	-170.9	-176.5	175.4	173.6	-165.6	0	112	E136 Y178 Y179 Q186	E136-K181 IonicContact OE1-NZ 3.9Å; E136-K181 PolarHBondContact OE1-NZ 3.14Å; Y178-K181 PolarHBondContact O-N 3.13Å; Y179-K181 PolarHBondContact O-N 2.91Å; Y179-K181 VanDerWaalsContact O-N 3.14Å; K181-Q186 PolarHBondContact O-NE2 3.2Å
182	Y	97.9	Very high	92.2	Very high	24 Å²	24	54.6 Å²	54.6	9%	0.094	28%	0.283	C	S	.	.	H	α-helix	trans	-121.5	-19	-165.9	-69	-68	0	0	0	114.8	E136 W139 Q140 H143 Y178	E136-Y182 HydrophobicContact CG-CE2 3.66Å; E136-Y182 PolarHBondContact OE1-OH 3.27Å; W139-Y182 HydrophobicContact CB-CD2 3.62Å; W139-Y182 HydrophobicContact CB-CE2 4.37Å; W139-Y182 HydrophobicContact CB-CG 3.89Å; W139-Y182 HydrophobicContact CG-CD2 4.46Å; Q140-Y182 HydrophobicContact CG-CD1 4.34Å; Q140-Y182 HydrophobicContact CG-CE1 3.62Å; Q140-Y182 HydrophobicContact CG-CE2 4.31Å; Q140-Y182 PolarHBondContact NE2-OH 3.06Å; H143-Y182 HydrophobicContact CB-CD1 3.86Å; H143-Y182 HydrophobicContact CB-CG 4.43Å; H143-Y182 WeakPolarHBondContact CB-O 3.46Å; H143-Y182 PolarHBondContact ND1-O 3.31Å; H143-Y182 VanDerWaalsContact ND1-O 3.08Å; Y178-Y182 HydrophobicContact CD1-CD2 4.4Å; Y178-Y182 HydrophobicContact CD1-CE2 4.09Å; Y178-Y182 HydrophobicContact CG-CD2 4.45Å; Y178-Y182 HydrophobicContact CG-CE2 4.49Å; Y178-Y182 PolarHBondContact O-N 2.96Å
183	S	97.1	Very high	92.4	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.007	28%	0.281	C	S	.	.	S	Bend	trans	-64.5	163.4	174.9	69.6	0	0	0	0	111.7	D159 Y179 Q186	D159-S183 WeakPolarHBondContact OD2-CB 3.32Å; Y179-S183 VanDerWaalsContact CD2-CB 3.46Å; Y179-S183 WeakPolarHBondContact O-CB 3.21Å; Y179-S183 PolarHBondContact O-N 3.01Å; Y179-S183 VanDerWaalsContact O-N 3.13Å; Y179-S183 PolarHBondContact O-OG 3.45Å; S183-Q186 WeakPolarHBondContact O-CG 3.44Å; S183-Q186 PolarHBondContact O-NE2 3.22Å; S183-Q186 VanDerWaalsContact OG-CA 3.23Å; S183-Q186 WeakPolarHBondContact OG-CA 3.38Å; S183-Q186 PolarHBondContact OG-N 2.86Å
184	A	96.5	Very high	92.6	Very high	30 Å²	30	51.4 Å²	51.4	25%	0.248	27%	0.265	C	S	.	.	S	Bend	trans	-70	-43.8	175.7	0	0	0	0	0	111.3	L146 M152 W157 D159	L146-A184 HydrophobicContact CD1-CB 4Å; M152-A184 HydrophobicContact SD-CB 3.66Å; W157-A184 HydrophobicContact CB-CB 4.45Å; W157-A184 VanDerWaalsContact CD1-CB 3.5Å; W157-A184 HydrophobicContact CG-CB 4.26Å; D159-A184 PolarHBondContact OD1-N 2.88Å; D159-A184 WeakPolarHBondContact OD2-CB 3.49Å; D159-A184 PolarHBondContact OD2-N 2.7Å
185	N	90.3	Very high	92.9	Very high	28 Å²	28	51.9 Å²	51.9	15%	0.15	27%	0.265	C	S	.	.	S	Bend	trans	-87.2	-32.1	-174.4	-165.7	42.3	0	0	0	112.5	D159 K187 F191	D159-N185 VanDerWaalsContact OD1-CB 3.25Å; D159-N185 WeakPolarHBondContact OD1-CB 3.43Å; D159-N185 PolarHBondContact OD1-N 3.49Å; N185-K187 WeakPolarHBondContact ND2-CB 3.15Å; N185-K187 WeakPolarHBondContact O-CG 3.49Å; N185-K187 PolarHBondContact O-N 3.08Å; N185-F191 WeakPolarHBondContact ND2-CE1 3.22Å; N185-F191 WeakPolarHBondContact ND2-CE2 3.4Å; N185-F191 WeakPolarHBondContact ND2-CZ 3.36Å
186	Q	90.4	Very high	93	Very high	99 Å²	99	50.9 Å²	50.9	46%	0.463	26%	0.259	S	S	.	.			trans	55.5	12.5	179.8	-54.6	-175.6	-6	0	0	114.7	R180 K181 S183	R180-Q186 WeakPolarHBondContact O-CB 3.27Å; K181-Q186 PolarHBondContact O-NE2 3.2Å; S183-Q186 WeakPolarHBondContact O-CG 3.44Å; S183-Q186 PolarHBondContact O-NE2 3.22Å; S183-Q186 VanDerWaalsContact OG-CA 3.23Å; S183-Q186 WeakPolarHBondContact OG-CA 3.38Å; S183-Q186 PolarHBondContact OG-N 2.86Å
187	K	85.1	Confident	93.1	Very high	114 Å²	114	48.6 Å²	48.6	50%	0.496	25%	0.247	S	C	.	.			trans	-96.3	120.6	177.9	-60.7	-176.5	-173.6	-180	0	109.8	Y179 N185 F191	Y179-K187 VanDerWaalsContact CE1-O 3.28Å; Y179-K187 WeakPolarHBondContact CE1-O 3.28Å; N185-K187 WeakPolarHBondContact ND2-CB 3.15Å; N185-K187 WeakPolarHBondContact O-CG 3.49Å; N185-K187 PolarHBondContact O-N 3.08Å; K187-F191 HydrophobicContact CB-CD1 4.39Å; K187-F191 HydrophobicContact CD-CG 4.45Å
188	V	85.1	Confident	93	Very high	52 Å²	52	55.3 Å²	55.3	32%	0.315	29%	0.291	S	S	.	.			trans	-82.3	142.5	174.7	-175.1	0	0	0	0	110.1	L172	L172-V188 HydrophobicContact CB-CG1 3.94Å; L172-V188 HydrophobicContact CD1-CG1 3.41Å; L172-V188 VanDerWaalsContact CD1-CG1 3.41Å; L172-V188 HydrophobicContact CD2-CG1 3.39Å; L172-V188 HydrophobicContact CG-CG1 3.68Å
189	G	88.1	Confident	92.7	Very high	22 Å²	22	55.9 Å²	55.9	23%	0.227	29%	0.294	C	S	.	.	S	Bend	trans	87.6	-179	177.4	0	0	0	0	0	113.4	F191 D208	G189-F191 WeakPolarHBondContact O-CD1 3.48Å; G189-D208 VanDerWaalsContact C-CB 3.49Å; G189-D208 PolarHBondContact N-OD2 2.93Å
190	S	91.3	Very high	92.3	Very high	38 Å²	38	56.9 Å²	56.9	27%	0.266	31%	0.305	S	S	.	.			trans	-68.9	142.2	177.2	-55.7	0	0	0	0	111.1	C206 D208 S229	S190-C206 CarbonylContact C-O 3.51Å; S190-C206 WeakPolarHBondContact CA-O 3.46Å; S190-C206 WeakPolarHBondContact CB-O 3.45Å; S190-D208 PolarHBondContact OG-N 2.95Å; S190-D208 VanDerWaalsContact OG-N 3.1Å; S190-S229 PolarHBondContact OG-O 3.32Å
191	F	91.4	Very high	92.3	Very high	26 Å²	26	58.5 Å²	58.5	11%	0.114	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	168.2	175.1	62.5	-86.1	0	0	0	109.7	I158 I160 N185 K187 G189 C206	I158-F191 HydrophobicContact CG2-CE2 3.64Å; I158-F191 HydrophobicContact CG2-CZ 3.63Å; I160-F191 HydrophobicContact CD1-CE1 4Å; N185-F191 WeakPolarHBondContact ND2-CE1 3.22Å; N185-F191 WeakPolarHBondContact ND2-CE2 3.4Å; N185-F191 WeakPolarHBondContact ND2-CZ 3.36Å; K187-F191 HydrophobicContact CB-CD1 4.39Å; K187-F191 HydrophobicContact CD-CG 4.45Å; G189-F191 WeakPolarHBondContact O-CD1 3.48Å; F191-C206 HydrophobicContact CD1-CB 4.11Å; F191-C206 HydrophobicContact CD2-CB 4.14Å; F191-C206 HydrophobicContact CE1-CB 3.69Å; F191-C206 HydrophobicContact CE2-CB 3.72Å; F191-C206 VanDerWaalsContact CE2-SG 3.57Å; F191-C206 HydrophobicContact CG-CB 4.3Å; F191-C206 HydrophobicContact CZ-CB 3.45Å; F191-C206 VanDerWaalsContact CZ-CB 3.45Å; F191-C206 PolarHBondContact N-O 2.97Å; F191-C206 WeakPolarHBondContact O-CA 3.13Å; F191-C206 WeakPolarHBondContact O-CB 3.24Å; F191-C206 PolarHBondContact O-N 3.49Å; F191-C206 VanDerWaalsContact O-O 3.05Å
192	H	92.7	Very high	92.2	Very high	100 Å²	100	56.7 Å²	56.7	46%	0.463	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	155.4	170.6	71.1	-87.2	0	0	0	110.8	F204 V205	H192-F204 CarbonylContact C-O 3.55Å; H192-F204 WeakPolarHBondContact CA-O 3.19Å; H192-V205 HydrophobicContact CB-CG2 4.44Å
193	Y	93.6	Very high	92	Very high	62 Å²	62	59 Å²	59	24%	0.243	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	126.2	172.7	169.5	-105.3	0	0	0	108.6	L114 K156 I158 H195 F204	L114-Y193 HydrophobicContact CD2-CE1 4.16Å; K156-Y193 HydrophobicContact CD-CE2 4.41Å; K156-Y193 HydrophobicContact CG-CE1 4.15Å; K156-Y193 HydrophobicContact CG-CE2 4.34Å; I158-Y193 HydrophobicContact CD1-CD1 3.36Å; I158-Y193 HydrophobicContact CD1-CD2 4.37Å; I158-Y193 HydrophobicContact CD1-CE1 4Å; I158-Y193 HydrophobicContact CD1-CG 3.57Å; Y193-H195 HydrophobicContact CE1-CB 3.83Å; Y193-F204 HydrophobicContact CD1-CD2 4.08Å; Y193-F204 PolarHBondContact N-O 3.19Å; Y193-F204 PolarHBondContact O-N 3.41Å
194	V	96	Very high	91.9	Very high	59 Å²	59	60.2 Å²	60.2	36%	0.358	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	119.9	174.4	-176.2	0	0	0	0	109	N201 Y202	V194-N201 HydrophobicContact CG1-CB 3.92Å; V194-Y202 CarbonylContact C-O 3.59Å; V194-Y202 WeakPolarHBondContact CA-O 3.5Å
195	H	95.3	Very high	91.8	Very high	30 Å²	30	61.7 Å²	61.7	14%	0.139	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	111.9	169.5	-174.2	63.5	0	0	0	109.4	F77 L114 Y193 Y202 F204	F77-H195 AromaticContact CE2-CD2 3.98Å; L114-H195 HydrophobicContact CD2-CB 4.12Å; Y193-H195 HydrophobicContact CE1-CB 3.83Å; H195-Y202 PolarHBondContact N-O 2.85Å; H195-Y202 PolarHBondContact O-N 3.12Å; H195-F204 HydrophobicContact CB-CD2 4.28Å; H195-F204 HydrophobicContact CB-CE2 3.83Å
196	T	94.8	Very high	91.9	Very high	99 Å²	99	61.1 Å²	61.1	61%	0.607	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	128.7	177.7	-64.8	0	0	0	0	110.6	N201	T196-N201 WeakPolarHBondContact CA-OD1 3.48Å; T196-N201 WeakPolarHBondContact CB-OD1 3.44Å; T196-N201 VanDerWaalsContact CG2-OD1 3.29Å; T196-N201 WeakPolarHBondContact CG2-OD1 3.49Å; T196-N201 PolarHBondContact OG1-OD1 3.28Å
197	T	93.3	Very high	92	Very high	17 Å²	17	59 Å²	59	10%	0.104	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	163.5	173.6	71.1	0	0	0	0	109.3	F77 F199 G200 Y202	F77-T197 HydrophobicContact CD1-CG2 4.23Å; T197-F199 HydrophobicContact CG2-CE1 4.3Å; T197-F199 HydrophobicContact CG2-CE2 4.37Å; T197-F199 HydrophobicContact CG2-CZ 4Å; T197-F199 PolarHBondContact O-N 2.86Å; T197-F199 VanDerWaalsContact O-N 3.14Å; T197-F199 WeakPolarHBondContact OG1-CD2 3.39Å; T197-F199 WeakPolarHBondContact OG1-CG 3.26Å; T197-F199 PolarHBondContact OG1-N 3.37Å; T197-G200 PolarHBondContact N-O 3.05Å; T197-G200 PolarHBondContact O-N 3.48Å; T197-G200 PolarHBondContact OG1-N 3.43Å; T197-G200 PolarHBondContact OG1-O 2.77Å; T197-Y202 HydrophobicContact CG2-CD2 4.06Å; T197-Y202 HydrophobicContact CG2-CE2 4.03Å
198	P	91.2	Very high	92.3	Very high	141 Å²	141	54.1 Å²	54.1	92%	0.916	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.6	174.5	-25.7	36	0	0	0	114.2
199	F	90.3	Very high	92.6	Very high	43 Å²	43	53.4 Å²	53.4	19%	0.189	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-7.1	-175.8	50.7	-89.5	0	0	0	113.6	P67 N74 N75 F77 T197 Y202	P67-F199 HydrophobicContact CB-CB 3.99Å; P67-F199 HydrophobicContact CB-CD2 4.01Å; P67-F199 HydrophobicContact CB-CG 4.48Å; P67-F199 WeakPolarHBondContact CB-O 3.35Å; P67-F199 HydrophobicContact CG-CD2 4.39Å; P67-F199 WeakPolarHBondContact CG-O 3.39Å; N74-F199 WeakPolarHBondContact O-CD1 3.47Å; N74-F199 VanDerWaalsContact O-CE1 3.26Å; N74-F199 WeakPolarHBondContact O-CE1 3.22Å; N75-F199 VanDerWaalsContact C-CE2 3.45Å; N75-F199 VanDerWaalsContact C-CZ 3.5Å; N75-F199 HydrophobicContact CB-CD2 4.27Å; N75-F199 HydrophobicContact CB-CG 4.41Å; N75-F199 WeakPolarHBondContact O-CE2 3.33Å; N75-F199 VanDerWaalsContact OD1-CB 3.28Å; N75-F199 WeakPolarHBondContact OD1-CB 3.09Å; F77-F199 HydrophobicContact CD1-CE2 4.3Å; F77-F199 HydrophobicContact CD1-CZ 4.12Å; T197-F199 HydrophobicContact CG2-CE1 4.3Å; T197-F199 HydrophobicContact CG2-CE2 4.37Å; T197-F199 HydrophobicContact CG2-CZ 4Å; T197-F199 PolarHBondContact O-N 2.86Å; T197-F199 VanDerWaalsContact O-N 3.14Å; T197-F199 WeakPolarHBondContact OG1-CD2 3.39Å; T197-F199 WeakPolarHBondContact OG1-CG 3.26Å; T197-F199 PolarHBondContact OG1-N 3.37Å; F199-Y202 HydrophobicContact CD2-CE2 4.15Å; F199-Y202 WeakPolarHBondContact CD2-OH 3.3Å; F199-Y202 AromaticContact CE2-CE2 3.79Å; F199-Y202 HydrophobicContact CE2-CE2 3.79Å; F199-Y202 AromaticContact CE2-CZ 3.89Å; F199-Y202 VanDerWaalsContact CE2-OH 3.24Å; F199-Y202 WeakPolarHBondContact CE2-OH 3.09Å
200	G	90.2	Very high	92.8	Very high	23 Å²	23	53.2 Å²	53.2	24%	0.237	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.1	171.8	177.9	0	0	0	0	0	115	T197	T197-G200 PolarHBondContact N-O 3.05Å; T197-G200 PolarHBondContact O-N 3.48Å; T197-G200 PolarHBondContact OG1-N 3.43Å; T197-G200 PolarHBondContact OG1-O 2.77Å
201	N	93	Very high	92.6	Very high	112 Å²	112	52.8 Å²	52.8	60%	0.599	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.3	177.1	-70.6	-31.8	0	0	0	110.4	V194 T196	V194-N201 HydrophobicContact CG1-CB 3.92Å; T196-N201 WeakPolarHBondContact CA-OD1 3.48Å; T196-N201 WeakPolarHBondContact CB-OD1 3.44Å; T196-N201 VanDerWaalsContact CG2-OD1 3.29Å; T196-N201 WeakPolarHBondContact CG2-OD1 3.49Å; T196-N201 PolarHBondContact OG1-OD1 3.28Å
202	Y	92.7	Very high	92.3	Very high	70 Å²	70	54.9 Å²	54.9	28%	0.275	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118	-178.7	-63.7	-94.3	0	0	0	109.8	F77 V194 H195 T197 F199	F77-Y202 HydrophobicContact CD1-CD2 4.38Å; F77-Y202 HydrophobicContact CD1-CE2 4.17Å; F77-Y202 AromaticContact CE1-CD1 3.73Å; F77-Y202 HydrophobicContact CE1-CD1 3.73Å; F77-Y202 AromaticContact CE1-CD2 3.49Å; F77-Y202 HydrophobicContact CE1-CD2 3.49Å; F77-Y202 VanDerWaalsContact CE1-CD2 3.49Å; F77-Y202 AromaticContact CE1-CE1 3.79Å; F77-Y202 HydrophobicContact CE1-CE1 3.79Å; F77-Y202 AromaticContact CE1-CE2 3.56Å; F77-Y202 HydrophobicContact CE1-CE2 3.56Å; F77-Y202 AromaticContact CE1-CG 3.59Å; F77-Y202 HydrophobicContact CE1-CG 3.59Å; F77-Y202 AromaticContact CE1-CZ 3.71Å; F77-Y202 HydrophobicContact CZ-CD1 4.01Å; F77-Y202 HydrophobicContact CZ-CD2 4.04Å; F77-Y202 HydrophobicContact CZ-CE1 4.48Å; F77-Y202 AromaticContact CZ-CG 3.77Å; F77-Y202 HydrophobicContact CZ-CG 3.77Å; V194-Y202 CarbonylContact C-O 3.59Å; V194-Y202 WeakPolarHBondContact CA-O 3.5Å; H195-Y202 PolarHBondContact N-O 2.85Å; H195-Y202 PolarHBondContact O-N 3.12Å; T197-Y202 HydrophobicContact CG2-CD2 4.06Å; T197-Y202 HydrophobicContact CG2-CE2 4.03Å; F199-Y202 HydrophobicContact CD2-CE2 4.15Å; F199-Y202 WeakPolarHBondContact CD2-OH 3.3Å; F199-Y202 AromaticContact CE2-CE2 3.79Å; F199-Y202 HydrophobicContact CE2-CE2 3.79Å; F199-Y202 AromaticContact CE2-CZ 3.89Å; F199-Y202 VanDerWaalsContact CE2-OH 3.24Å; F199-Y202 WeakPolarHBondContact CE2-OH 3.09Å
203	S	94.5	Very high	92.2	Very high	72 Å²	72	54.2 Å²	54.2	50%	0.503	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120.8	-179.6	-168	0	0	0	0	110.9
204	F	94.7	Very high	92	Very high	27 Å²	27	51.4 Å²	51.4	12%	0.118	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	113.6	171.5	-67	-91.6	0	0	0	108.4	F77 F79 L114 L116 H192 Y193 H195	F77-F204 HydrophobicContact CE2-CZ 4.16Å; F77-F204 HydrophobicContact CZ-CZ 4.2Å; F79-F204 HydrophobicContact CD1-CE1 4.15Å; F79-F204 HydrophobicContact CD1-CZ 4.18Å; F79-F204 HydrophobicContact CD2-CE1 4.41Å; F79-F204 HydrophobicContact CE1-CE1 4.16Å; F79-F204 HydrophobicContact CE1-CZ 4.45Å; F79-F204 HydrophobicContact CE2-CE1 4.42Å; F79-F204 HydrophobicContact CG-CE1 4.28Å; F79-F204 HydrophobicContact CZ-CE1 4.29Å; L114-F204 HydrophobicContact CD1-CD1 4.2Å; L114-F204 HydrophobicContact CD1-CE1 3.91Å; L114-F204 HydrophobicContact CD1-CE2 4.39Å; L114-F204 HydrophobicContact CD1-CZ 4.02Å; L114-F204 HydrophobicContact CD2-CD2 4.14Å; L114-F204 HydrophobicContact CD2-CE1 4.37Å; L114-F204 HydrophobicContact CD2-CE2 3.5Å; L114-F204 HydrophobicContact CD2-CZ 3.63Å; L114-F204 HydrophobicContact CG-CZ 4.36Å; L116-F204 HydrophobicContact CD1-CD1 3.89Å; L116-F204 HydrophobicContact CD1-CE1 4.18Å; L116-F204 HydrophobicContact CD2-CD1 4.31Å; H192-F204 CarbonylContact C-O 3.55Å; H192-F204 WeakPolarHBondContact CA-O 3.19Å; Y193-F204 HydrophobicContact CD1-CD2 4.08Å; Y193-F204 PolarHBondContact N-O 3.19Å; Y193-F204 PolarHBondContact O-N 3.41Å; H195-F204 HydrophobicContact CB-CD2 4.28Å; H195-F204 HydrophobicContact CB-CE2 3.83Å
205	V	94	Very high	91.7	Very high	61 Å²	61	50.6 Å²	50.6	37%	0.37	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	105.8	-178.7	-179.4	0	0	0	0	108.9	H192 V207 F232	H192-V205 HydrophobicContact CB-CG2 4.44Å; V205-V207 HydrophobicContact CG1-CG2 4.03Å; V205-F232 HydrophobicContact CB-CE1 4.47Å; V205-F232 HydrophobicContact CG1-CD1 3.31Å; V205-F232 HydrophobicContact CG1-CD2 4.28Å; V205-F232 HydrophobicContact CG1-CE1 3Å; V205-F232 HydrophobicContact CG1-CE2 4.01Å; V205-F232 HydrophobicContact CG1-CG 3.97Å; V205-F232 HydrophobicContact CG1-CZ 3.39Å
206	C	92.6	Very high	91.4	Very high	16 Å²	16	54.1 Å²	54.1	11%	0.108	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	114.6	-179.5	-57.7	0	0	0	0	109	I160 S190 F191	I160-C206 HydrophobicContact CD1-CB 3.65Å; S190-C206 CarbonylContact C-O 3.51Å; S190-C206 WeakPolarHBondContact CA-O 3.46Å; S190-C206 WeakPolarHBondContact CB-O 3.45Å; F191-C206 HydrophobicContact CD1-CB 4.11Å; F191-C206 HydrophobicContact CD2-CB 4.14Å; F191-C206 HydrophobicContact CE1-CB 3.69Å; F191-C206 HydrophobicContact CE2-CB 3.72Å; F191-C206 VanDerWaalsContact CE2-SG 3.57Å; F191-C206 HydrophobicContact CG-CB 4.3Å; F191-C206 HydrophobicContact CZ-CB 3.45Å; F191-C206 VanDerWaalsContact CZ-CB 3.45Å; F191-C206 PolarHBondContact N-O 2.97Å; F191-C206 WeakPolarHBondContact O-CA 3.13Å; F191-C206 WeakPolarHBondContact O-CB 3.24Å; F191-C206 PolarHBondContact O-N 3.49Å; F191-C206 VanDerWaalsContact O-O 3.05Å
207	V	92.7	Very high	91.1	Very high	56 Å²	56	52.7 Å²	52.7	34%	0.339	30%	0.304	S	S	.	.			trans	-106.5	118.3	-174.2	-169.4	0	0	0	0	110.2	I160 V205 A209 L225 F232	I160-V207 VanDerWaalsContact CD1-C 3.46Å; V205-V207 HydrophobicContact CG1-CG2 4.03Å; V207-A209 PolarHBondContact O-N 3.23Å; V207-L225 HydrophobicContact CG1-CD2 3.31Å; V207-F232 HydrophobicContact CG2-CE1 4.42Å; V207-F232 HydrophobicContact CG2-CZ 3.7Å
208	D	91.6	Very high	90.6	Very high	11 Å²	11	55.5 Å²	55.5	6%	0.059	32%	0.323	C	S	.	.			trans	-87.1	100.6	175.2	-172.5	-13.8	0	0	0	108.6	I160 R161 G189 S190 T210	I160-D208 HydrophobicContact CD1-CB 4.1Å; I160-D208 HydrophobicContact CG1-CB 4.37Å; R161-D208 IonicContact CZ-OD2 3.64Å; R161-D208 IonicContact NE-OD2 2.92Å; R161-D208 PolarHBondContact NE-OD2 3.38Å; R161-D208 VanDerWaalsContact NE-OD2 3.16Å; R161-D208 IonicContact NH2-OD1 3.96Å; R161-D208 IonicContact NH2-OD2 3.92Å; R161-D208 PolarHBondContact NH2-OD2 3.01Å; G189-D208 VanDerWaalsContact C-CB 3.49Å; G189-D208 PolarHBondContact N-OD2 2.93Å; S190-D208 PolarHBondContact OG-N 2.95Å; S190-D208 VanDerWaalsContact OG-N 3.1Å; D208-T210 VanDerWaalsContact C-N 3.33Å; D208-T210 VanDerWaalsContact OD1-CB 3.27Å; D208-T210 WeakPolarHBondContact OD1-CB 3.32Å; D208-T210 VanDerWaalsContact OD1-CG2 3.31Å; D208-T210 WeakPolarHBondContact OD1-CG2 3.12Å; D208-T210 PolarHBondContact OD1-N 3.09Å; D208-T210 PolarHBondContact OD1-OG1 3.48Å
209	A	91.2	Very high	90.1	Very high	37 Å²	37	57.2 Å²	57.2	31%	0.306	31%	0.312	S	S	.	.			trans	-91.1	6.3	178.2	0	0	0	0	0	112.8	V207 G223 I224 L225	V207-A209 PolarHBondContact O-N 3.23Å; A209-G223 CarbonylContact O-C 3.47Å; A209-G223 WeakPolarHBondContact O-CA 2.88Å; A209-I224 PolarHBondContact O-N 3.49Å; A209-L225 HydrophobicContact CB-CD2 3.88Å
210	T	91.3	Very high	89.6	Confident	17 Å²	17	55.2 Å²	55.2	10%	0.104	30%	0.303	C	S	.	.			trans	-73.1	148.9	-173.8	66.4	0	0	0	0	112.7	R161 G162 A166 D208	R161-T210 HydrophobicContact CB-CG2 3.88Å; R161-T210 VanDerWaalsContact CZ-OG1 3.29Å; R161-T210 PolarHBondContact NH2-OG1 2.85Å; G162-T210 VanDerWaalsContact O-CG2 3.24Å; G162-T210 WeakPolarHBondContact O-CG2 3.28Å; A166-T210 HydrophobicContact CB-CG2 4.24Å; D208-T210 VanDerWaalsContact C-N 3.33Å; D208-T210 VanDerWaalsContact OD1-CB 3.27Å; D208-T210 WeakPolarHBondContact OD1-CB 3.32Å; D208-T210 VanDerWaalsContact OD1-CG2 3.31Å; D208-T210 WeakPolarHBondContact OD1-CG2 3.12Å; D208-T210 PolarHBondContact OD1-N 3.09Å; D208-T210 PolarHBondContact OD1-OG1 3.48Å
211	L	87.8	Confident	88.9	Confident	30 Å²	30	59.3 Å²	59.3	16%	0.157	32%	0.315	C	S	.	.			trans	-69.7	140.4	175.2	-60.3	-179.9	0	0	0	111.2	P213 G214 P215 I224	L211-P213 CarbonylContact C-O 3.41Å; L211-P213 CarbonylContact O-C 3.57Å; L211-G214 VanDerWaalsContact O-CA 3.31Å; L211-G214 WeakPolarHBondContact O-CA 3.47Å; L211-G214 PolarHBondContact O-N 2.83Å; L211-P215 HydrophobicContact CD1-CG 3.9Å; L211-I224 HydrophobicContact CD2-CB 4.15Å; L211-I224 HydrophobicContact CD2-CD1 3.32Å; L211-I224 HydrophobicContact CD2-CG1 3.52Å
212	T	85.8	Confident	88.1	Confident	70 Å²	70	62.1 Å²	62.1	43%	0.429	32%	0.322	S	S	.	.	S	Bend	trans	-134.2	115.1	169.9	-58.8	0	0	0	0	108.7	L172	L172-T212 HydrophobicContact CD2-CG2 3.9Å; L172-T212 WeakPolarHBondContact CD2-OG1 3.46Å; L172-T212 HydrophobicContact CG-CG2 3.81Å
213	P	89.7	Confident	87.4	Confident	86 Å²	86	61.2 Å²	61.2	56%	0.558	33%	0.334	S	S	*	.	S	Bend	cis	-59.3	147.1	-4.3	26.6	-35	0	0	0	111.8	I169 M170 L211 P215	I169-P213 CarbonylContact O-C 3.5Å; I169-P213 WeakPolarHBondContact O-CA 3.47Å; M170-P213 WeakPolarHBondContact O-CB 3.38Å; L211-P213 CarbonylContact C-O 3.41Å; L211-P213 CarbonylContact O-C 3.57Å; P213-P215 VanDerWaalsContact O-CD 3.22Å; P213-P215 WeakPolarHBondContact O-CD 3.34Å
214	G	89.6	Confident	86.6	Confident	3 Å²	3	62.6 Å²	62.6	3%	0.031	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-87	105.1	175.6	0	0	0	0	0	110.1	A166 N168 I169 L211	A166-G214 CarbonylContact O-C 3.52Å; A166-G214 VanDerWaalsContact O-CA 3.26Å; A166-G214 WeakPolarHBondContact O-CA 3.45Å; N168-G214 WeakPolarHBondContact CA-O 3.35Å; N168-G214 PolarHBondContact N-O 3.19Å; I169-G214 PolarHBondContact N-O 3.12Å; I169-G214 PolarHBondContact O-N 3.44Å; L211-G214 VanDerWaalsContact O-CA 3.31Å; L211-G214 WeakPolarHBondContact O-CA 3.47Å; L211-G214 PolarHBondContact O-N 2.83Å
215	P	89.1	Confident	85.7	Confident	42 Å²	42	66.2 Å²	66.2	27%	0.273	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-70.2	164.1	-173.5	26.6	-28.8	0	0	0	111	F167 L211 P213 N220	F167-P215 WeakPolarHBondContact CD1-O 3.45Å; L211-P215 HydrophobicContact CD1-CG 3.9Å; P213-P215 VanDerWaalsContact O-CD 3.22Å; P213-P215 WeakPolarHBondContact O-CD 3.34Å; P215-N220 HydrophobicContact CG-CB 3.81Å; P215-N220 WeakPolarHBondContact O-CB 3.42Å
216	K	90	Very high	84.5	Confident	103 Å²	103	67.2 Å²	67.2	45%	0.448	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-70.7	165.6	169.6	-67.9	-173.6	-179.1	-177.8	0	110.5	S132 N168 Y219	S132-K216 WeakPolarHBondContact O-CD 3.16Å; S132-K216 WeakPolarHBondContact O-CG 3.43Å; S132-K216 WeakPolarHBondContact OG-CA 3.48Å; N168-K216 HydrophobicContact CB-CG 3.9Å; N168-K216 WeakPolarHBondContact OD1-CE 3.26Å; K216-Y219 PolarHBondContact O-N 3.08Å
217	R	88	Confident	82.9	Confident	70 Å²	70	74.8 Å²	74.8	26%	0.264	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	144.6	163.5	-69.1	-174.9	76.6	-163.5	-3.1	110	K129 S132 F167	K129-R217 PolarHBondContact O-NH1 3.16Å; S132-R217 PolarHBondContact OG-N 3.15Å; F167-R217 HydrophobicContact CD1-CG 4.25Å; F167-R217 HydrophobicContact CE1-CG 3.46Å; F167-R217 VanDerWaalsContact CE1-CG 3.46Å; F167-R217 HydrophobicContact CE2-CG 4.12Å; F167-R217 HydrophobicContact CZ-CG 3.44Å; F167-R217 VanDerWaalsContact CZ-CG 3.44Å
218	P	83.1	Confident	81.3	Confident	76 Å²	76	78 Å²	78	49%	0.494	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	cis	-96.1	32.1	4.4	39.6	-38	0	0	0	114.4	F221	P218-F221 VanDerWaalsContact C-CE2 3.41Å; P218-F221 HydrophobicContact CB-CE2 3.86Å; P218-F221 HydrophobicContact CB-CZ 4.45Å; P218-F221 WeakPolarHBondContact O-CD2 3.22Å; P218-F221 WeakPolarHBondContact O-CE2 3.29Å
219	Y	81	Confident	79.5	Confident	176 Å²	176	79.1 Å²	79.1	69%	0.69	42%	0.42	S	S	*	.	S	Bend	trans	-108.6	-4.3	-169.2	-53.1	-67.3	0	0	0	115.4	K216	K216-Y219 PolarHBondContact O-N 3.08Å
220	N	78.6	Confident	77.5	Confident	1 Å²	1	79.8 Å²	79.8	1%	0.005	42%	0.422	C	S	.	.			trans	-109	67.2	-178	-165.2	11.6	0	0	0	111.1	N163 F167 P215	N163-N220 PolarHBondContact ND2-O 3.5Å; N163-N220 PolarHBondContact O-ND2 2.83Å; F167-N220 HydrophobicContact CD1-CB 3.79Å; F167-N220 HydrophobicContact CE1-CB 3.66Å; P215-N220 HydrophobicContact CG-CB 3.81Å; P215-N220 WeakPolarHBondContact O-CB 3.42Å
221	F	75.2	Confident	75.3	Confident	110 Å²	110	83.1 Å²	83.1	48%	0.482	44%	0.443	S	S	.	.			trans	-116.6	-20.9	179.3	-66.2	-64.8	0	0	0	113.6	P218	P218-F221 VanDerWaalsContact C-CE2 3.41Å; P218-F221 HydrophobicContact CB-CE2 3.86Å; P218-F221 HydrophobicContact CB-CZ 4.45Å; P218-F221 WeakPolarHBondContact O-CD2 3.22Å; P218-F221 WeakPolarHBondContact O-CE2 3.29Å
222	F	77.8	Confident	73.2	Confident	170 Å²	170	84.6 Å²	84.6	75%	0.746	45%	0.448	S	S	*	.			trans	-107.8	135.5	-179.2	-57.2	-73.3	0	0	0	109.6
223	G	77	Confident	70.9	Confident	51 Å²	51	89.8 Å²	89.8	53%	0.526	47%	0.465	S	S	.	.			trans	-85.4	156	169.8	0	0	0	0	0	111.7	A209	A209-G223 CarbonylContact O-C 3.47Å; A209-G223 WeakPolarHBondContact O-CA 2.88Å
224	I	77.6	Confident	68.2	Low	102 Å²	102	97.7 Å²	97.7	52%	0.523	49%	0.491	S	S	.	.			trans	-124.1	127.3	174.4	-65.2	176.1	0	0	0	108.8	A209 L211	A209-I224 PolarHBondContact O-N 3.49Å; L211-I224 HydrophobicContact CD2-CB 4.15Å; L211-I224 HydrophobicContact CD2-CD1 3.32Å; L211-I224 HydrophobicContact CD2-CG1 3.52Å
225	L	77.1	Confident	67.1	Low	103 Å²	103	102.4 Å²	102.4	54%	0.539	51%	0.514	S	S	.	.			trans	-106.1	104.2	166.6	-60.8	-178.8	0	0	0	107.6	V207 A209	V207-L225 HydrophobicContact CG1-CD2 3.31Å; A209-L225 HydrophobicContact CB-CD2 3.88Å
226	N	67.1	Low	66	Low	82 Å²	82	105.6 Å²	105.6	44%	0.439	53%	0.526	S	S	.	.			trans	-86.8	162	169.8	70.3	34.8	0	0	0	109.7	V228 S229 S230	N226-V228 PolarHBondContact O-N 3Å; N226-V228 WeakPolarHBondContact OD1-CA 3.42Å; N226-V228 WeakPolarHBondContact OD1-CB 3.33Å; N226-V228 PolarHBondContact OD1-N 3.35Å; N226-V228 VanDerWaalsContact OD1-N 3.11Å; N226-S229 PolarHBondContact O-N 3.45Å; N226-S229 PolarHBondContact OD1-N 3.11Å; N226-S229 PolarHBondContact OD1-OG 2.89Å; N226-S229 VanDerWaalsContact OD1-OG 3.07Å; N226-S230 PolarHBondContact O-N 2.64Å; N226-S230 PolarHBondContact O-OG 2.86Å
227	Q	60.8	Low	64.6	Low	175 Å²	175	105.7 Å²	105.7	82%	0.818	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-27.7	-176.7	-164.9	170.7	12.7	0	0	113	V231	Q227-V231 WeakPolarHBondContact O-CG2 3.46Å
228	V	59.1	Low	63.3	Low	124 Å²	124	107.8 Å²	107.8	75%	0.752	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-38.3	178.3	-172.6	0	0	0	0	111.4	N226 S230	N226-V228 PolarHBondContact O-N 3Å; N226-V228 WeakPolarHBondContact OD1-CA 3.42Å; N226-V228 WeakPolarHBondContact OD1-CB 3.33Å; N226-V228 PolarHBondContact OD1-N 3.35Å; N226-V228 VanDerWaalsContact OD1-N 3.11Å; V228-S230 PolarHBondContact O-N 3Å
229	S	51.9	Low	62	Low	34 Å²	34	109.8 Å²	109.8	24%	0.238	55%	0.55	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-12.9	175	-59.9	0	0	0	0	113.6	S190 N226	S190-S229 PolarHBondContact OG-O 3.32Å; N226-S229 PolarHBondContact O-N 3.45Å; N226-S229 PolarHBondContact OD1-N 3.11Å; N226-S229 PolarHBondContact OD1-OG 2.89Å; N226-S229 VanDerWaalsContact OD1-OG 3.07Å
230	S	50	Low	60.8	Low	50 Å²	50	105.4 Å²	105.4	35%	0.35	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	5.8	-177.4	-55	0	0	0	0	114.4	N226 V228 F232	N226-S230 PolarHBondContact O-N 2.64Å; N226-S230 PolarHBondContact O-OG 2.86Å; V228-S230 PolarHBondContact O-N 3Å; S230-F232 VanDerWaalsContact O-CD2 3.27Å; S230-F232 WeakPolarHBondContact O-CD2 3.46Å; S230-F232 PolarHBondContact O-N 3.2Å
231	V	44.4	Very low	59.5	Low	88 Å²	88	112.9 Å²	112.9	53%	0.533	58%	0.578	S	S	.	*			trans	-77	94.5	174.1	-172.8	0	0	0	0	109.2	Q227 F233	Q227-V231 WeakPolarHBondContact O-CG2 3.46Å; V231-F233 HydrophobicContact CG1-CD2 4.32Å; V231-F233 HydrophobicContact CG1-CE2 3.89Å; V231-F233 HydrophobicContact CG1-CZ 4.28Å
232	F	44.9	Very low	58.3	Low	61 Å²	61	113.1 Å²	113.1	27%	0.268	59%	0.586	S	S	.	*			trans	-95.4	118.6	169.5	-57	-66.6	0	0	0	108.9	V205 V207 S230 F234	V205-F232 HydrophobicContact CB-CE1 4.47Å; V205-F232 HydrophobicContact CG1-CD1 3.31Å; V205-F232 HydrophobicContact CG1-CD2 4.28Å; V205-F232 HydrophobicContact CG1-CE1 3Å; V205-F232 HydrophobicContact CG1-CE2 4.01Å; V205-F232 HydrophobicContact CG1-CG 3.97Å; V205-F232 HydrophobicContact CG1-CZ 3.39Å; V207-F232 HydrophobicContact CG2-CE1 4.42Å; V207-F232 HydrophobicContact CG2-CZ 3.7Å; S230-F232 VanDerWaalsContact O-CD2 3.27Å; S230-F232 WeakPolarHBondContact O-CD2 3.46Å; S230-F232 PolarHBondContact O-N 3.2Å; F232-F234 HydrophobicContact CB-CE2 4.08Å; F232-F234 HydrophobicContact CB-CZ 4.36Å; F232-F234 PolarHBondContact O-N 2.7Å
233	F	36.3	Very low	56.7	Low	179 Å²	179	108.3 Å²	108.3	79%	0.785	57%	0.573	S	S	*	*			trans	-78.6	113.7	165.6	-70.7	-87.9	0	0	0	107	V231	V231-F233 HydrophobicContact CG1-CD2 4.32Å; V231-F233 HydrophobicContact CG1-CE2 3.89Å; V231-F233 HydrophobicContact CG1-CZ 4.28Å
234	F	33.8	Very low	54.8	Low	251 Å²	251	113.5 Å²	113.5	100%	1.101	58%	0.577	S	S	*	*			trans	-88.6	0	172.9	-70.9	-83	0	0	0	110.4	F232	F232-F234 HydrophobicContact CB-CE2 4.08Å; F232-F234 HydrophobicContact CB-CZ 4.36Å; F232-F234 PolarHBondContact O-N 2.7Å

Retrieved 234 of 234 residues in 44.3 ms (Link to these results)

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