A0A077ZK92_TRITR Loading...

Peptidoglycan hydrolase

AlphaFold DB , UniProt , Accession A0A077ZK92, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 249 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	36.6	Very low	31.8	Very low	236 Å²	236	145.8 Å²	145.8	100%	1.163	83%	0.83	S	S	*	*				0	89.5	0	-163.7	172.9	-171	0	0	106.5
2	I	34.6	Very low	32.9	Very low	170 Å²	170	146.3 Å²	146.3	87%	0.872	83%	0.829	S	S	*	*			trans	-95.9	110	-176.7	27.7	176	0	0	0	106.7	S4	I2-S4 PolarHBondContact O-N 3.06Å
3	L	26.6	Very low	33.7	Very low	167 Å²	167	144.6 Å²	144.6	87%	0.874	82%	0.823	S	S	*	*			trans	-71.8	115.5	175.3	-76.2	158.1	0	0	0	108.3
4	S	27.3	Very low	34.4	Very low	110 Å²	110	148.2 Å²	148.2	77%	0.769	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-68.9	139.3	167.9	-59.6	0	0	0	0	110	I2	I2-S4 PolarHBondContact O-N 3.06Å
5	P	31.4	Very low	35.2	Very low	118 Å²	118	143.7 Å²	143.7	77%	0.766	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-69.2	133.5	172.4	27.4	-31.1	0	0	0	110.3	V7	P5-V7 PolarHBondContact O-N 2.91Å
6	A	29.9	Very low	36.9	Very low	102 Å²	102	137.9 Å²	137.9	84%	0.843	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-66.5	121.6	171.7	0	0	0	0	0	109.5	L8	A6-L8 PolarHBondContact O-N 2.86Å
7	V	32.4	Very low	38.1	Very low	133 Å²	133	134.4 Å²	134.4	81%	0.806	77%	0.767	S	S	*	*			trans	-72.9	108.7	168.6	177.4	0	0	0	0	107.2	P5 T9	P5-V7 PolarHBondContact O-N 2.91Å; V7-T9 PolarHBondContact O-N 2.59Å; V7-T9 VanDerWaalsContact O-N 3.15Å
8	L	27.6	Very low	38.8	Very low	153 Å²	153	131.1 Å²	131.1	80%	0.801	76%	0.759	S	S	*	*			trans	-68.9	107.8	170.8	-162.2	74.9	0	0	0	107.7	A6 M10	A6-L8 PolarHBondContact O-N 2.86Å; L8-M10 PolarHBondContact O-N 3.32Å
9	T	31.2	Very low	39.4	Very low	114 Å²	114	129.6 Å²	129.6	70%	0.699	74%	0.744	S	S	*	*			trans	-64.3	105.4	171.7	-50.6	0	0	0	0	108.2	V7 N11	V7-T9 PolarHBondContact O-N 2.59Å; V7-T9 VanDerWaalsContact O-N 3.15Å; T9-N11 PolarHBondContact O-N 2.84Å
10	M	32.4	Very low	39.6	Very low	163 Å²	163	128.4 Å²	128.4	80%	0.803	73%	0.733	S	S	*	*			trans	-69.1	111.4	167	-70.7	-175.9	174.2	0	0	107.6	L8 N12	L8-M10 PolarHBondContact O-N 3.32Å; M10-N12 PolarHBondContact O-N 2.89Å; M10-N12 VanDerWaalsContact O-N 3.11Å
11	N	40.2	Very low	40.5	Very low	138 Å²	138	123.8 Å²	123.8	74%	0.738	71%	0.713	S	S	*	*			trans	-63.7	111.5	168	-83.9	9.7	0	0	0	107.9	T9 V13	T9-N11 PolarHBondContact O-N 2.84Å; N11-V13 VanDerWaalsContact C-N 3.3Å; N11-V13 PolarHBondContact O-N 2.92Å
12	N	44.9	Very low	41.7	Very low	151 Å²	151	118.6 Å²	118.6	81%	0.807	69%	0.686	S	S	*	*			trans	-61.3	96.7	163.7	-78.6	32.7	0	0	0	107.8	M10 K14	M10-N12 PolarHBondContact O-N 2.89Å; M10-N12 VanDerWaalsContact O-N 3.11Å; N12-K14 PolarHBondContact O-N 2.82Å
13	V	43.4	Very low	43	Very low	125 Å²	125	114.1 Å²	114.1	76%	0.758	67%	0.667	S	S	*	*			trans	-62.9	104.8	170.8	-179.5	0	0	0	0	106.6	N11 V15	N11-V13 VanDerWaalsContact C-N 3.3Å; N11-V13 PolarHBondContact O-N 2.92Å; V13-V15 PolarHBondContact O-N 2.78Å
14	K	43.5	Very low	44.5	Very low	195 Å²	195	112.6 Å²	112.6	85%	0.848	66%	0.655	S	S	*	*			trans	-70.2	99.5	171.9	-69	-171.4	177.8	-173.8	0	107.2	N12 S16	N12-K14 PolarHBondContact O-N 2.82Å; K14-S16 PolarHBondContact O-N 2.82Å
15	V	46.5	Very low	47	Very low	81 Å²	81	112.9 Å²	112.9	49%	0.491	65%	0.648	S	S	.	*			trans	-55.1	125.4	169.2	-175.7	0	0	0	0	107.7	V13 E19 M20	V13-V15 PolarHBondContact O-N 2.78Å; V15-E19 HydrophobicContact CG1-CB 3.58Å; V15-M20 HydrophobicContact CB-CG 4.45Å; V15-M20 HydrophobicContact CG1-CG 3.87Å
16	S	62.1	Low	49.7	Very low	50 Å²	50	109.4 Å²	109.4	35%	0.35	62%	0.622	S	S	.	*			trans	-69.4	156	-177.2	68.3	0	0	0	0	110.9	K14 A18 E19 M20	K14-S16 PolarHBondContact O-N 2.82Å; S16-A18 PolarHBondContact O-N 2.96Å; S16-E19 WeakPolarHBondContact CB-OE2 3.32Å; S16-E19 PolarHBondContact N-OE2 3.21Å; S16-E19 PolarHBondContact O-N 3.34Å; S16-E19 VanDerWaalsContact O-N 3.15Å; S16-E19 WeakPolarHBondContact OG-CG 3.29Å; S16-E19 PolarHBondContact OG-N 3.47Å; S16-E19 PolarHBondContact OG-OE2 2.73Å; S16-M20 PolarHBondContact O-N 2.99Å
17	A	57.5	Low	52.5	Low	78 Å²	78	107 Å²	107	65%	0.645	60%	0.599	S	S	*	*	H	α-helix	trans	-58.9	-29.2	174.6	0	0	0	0	0	112.7	M20 G21	A17-M20 HydrophobicContact CB-CE 4.45Å; A17-G21 PolarHBondContact O-N 3.25Å
18	A	50.9	Low	55.3	Low	76 Å²	76	103 Å²	103	63%	0.628	58%	0.58	S	S	*	*	H	α-helix	trans	-68.6	-44.2	175.6	0	0	0	0	0	111.9	S16 G21 Q22	S16-A18 PolarHBondContact O-N 2.96Å; A18-G21 PolarHBondContact O-N 3.49Å; A18-Q22 PolarHBondContact O-N 2.73Å
19	E	49.9	Very low	58.4	Low	103 Å²	103	96.8 Å²	96.8	48%	0.481	55%	0.546	S	S	.	.	H	α-helix	trans	-65.2	-43.3	174.7	-73.4	161.9	132.9	0	0	111.2	V15 S16 G21 Q22 T23	V15-E19 HydrophobicContact CG1-CB 3.58Å; S16-E19 WeakPolarHBondContact CB-OE2 3.32Å; S16-E19 PolarHBondContact N-OE2 3.21Å; S16-E19 PolarHBondContact O-N 3.34Å; S16-E19 VanDerWaalsContact O-N 3.15Å; S16-E19 WeakPolarHBondContact OG-CG 3.29Å; S16-E19 PolarHBondContact OG-N 3.47Å; S16-E19 PolarHBondContact OG-OE2 2.73Å; E19-G21 VanDerWaalsContact C-N 3.3Å; E19-G21 PolarHBondContact O-N 2.82Å; E19-Q22 PolarHBondContact O-N 3.33Å; E19-T23 PolarHBondContact O-N 2.87Å; E19-T23 PolarHBondContact O-OG1 3.34Å
20	M	43.9	Very low	61.5	Low	105 Å²	105	91.4 Å²	91.4	52%	0.517	51%	0.514	S	S	.	.	H	α-helix	trans	-59.6	-41.7	173.5	-70.4	-168	-67.8	0	0	111.8	V15 S16 A17 T23 Q24	V15-M20 HydrophobicContact CB-CG 4.45Å; V15-M20 HydrophobicContact CG1-CG 3.87Å; S16-M20 PolarHBondContact O-N 2.99Å; A17-M20 HydrophobicContact CB-CE 4.45Å; M20-T23 PolarHBondContact O-N 2.99Å; M20-Q24 WeakPolarHBondContact O-CB 3.44Å; M20-Q24 VanDerWaalsContact O-CG 3.23Å; M20-Q24 WeakPolarHBondContact O-CG 3.31Å; M20-Q24 PolarHBondContact O-N 2.94Å
21	G	57.2	Low	64.5	Low	31 Å²	31	87.5 Å²	87.5	32%	0.32	49%	0.493	S	S	.	.	H	α-helix	trans	-64.1	-41.7	177	0	0	0	0	0	113.2	A17 A18 E19 Q24 N25	A17-G21 PolarHBondContact O-N 3.25Å; A18-G21 PolarHBondContact O-N 3.49Å; E19-G21 VanDerWaalsContact C-N 3.3Å; E19-G21 PolarHBondContact O-N 2.82Å; G21-Q24 PolarHBondContact O-N 2.83Å; G21-N25 PolarHBondContact O-N 3.01Å; G21-N25 PolarHBondContact O-ND2 2.87Å
22	Q	62.5	Low	67.1	Low	127 Å²	127	86 Å²	86	59%	0.593	48%	0.482	S	S	*	.	H	α-helix	trans	-62.7	-48.1	173.8	-100.8	-160.1	3.9	0	0	111.9	A18 E19 Q24 N25 Q26	A18-Q22 PolarHBondContact O-N 2.73Å; E19-Q22 PolarHBondContact O-N 3.33Å; Q22-Q24 VanDerWaalsContact C-N 3.29Å; Q22-Q24 PolarHBondContact O-N 3.24Å; Q22-N25 PolarHBondContact O-N 3.37Å; Q22-Q26 WeakPolarHBondContact O-CG 3.49Å; Q22-Q26 PolarHBondContact O-N 3.43Å
23	T	61.6	Low	69.6	Low	76 Å²	76	78.9 Å²	78.9	47%	0.466	44%	0.444	S	S	.	.	H	α-helix	trans	-61.6	-38.5	179.9	-56	0	0	0	0	111.8	E19 M20 Q26 S27	E19-T23 PolarHBondContact O-N 2.87Å; E19-T23 PolarHBondContact O-OG1 3.34Å; M20-T23 PolarHBondContact O-N 2.99Å; T23-Q26 PolarHBondContact O-N 2.84Å; T23-S27 WeakPolarHBondContact O-CB 3.44Å; T23-S27 PolarHBondContact O-N 3.11Å; T23-S27 PolarHBondContact O-OG 3.41Å
24	Q	58.9	Low	72.2	Confident	135 Å²	135	72.9 Å²	72.9	63%	0.631	41%	0.407	S	S	*	.	H	α-helix	trans	-64.9	-44.3	174.9	-73.1	-67.8	-25.7	0	0	111.9	M20 G21 Q22 Q26 S27 A28	M20-Q24 WeakPolarHBondContact O-CB 3.44Å; M20-Q24 VanDerWaalsContact O-CG 3.23Å; M20-Q24 WeakPolarHBondContact O-CG 3.31Å; M20-Q24 PolarHBondContact O-N 2.94Å; G21-Q24 PolarHBondContact O-N 2.83Å; Q22-Q24 VanDerWaalsContact C-N 3.29Å; Q22-Q24 PolarHBondContact O-N 3.24Å; Q24-Q26 PolarHBondContact O-N 2.91Å; Q24-S27 PolarHBondContact O-N 3.37Å; Q24-A28 WeakPolarHBondContact O-CB 3.44Å; Q24-A28 PolarHBondContact O-N 3.42Å
25	N	80	Confident	74.6	Confident	117 Å²	117	66 Å²	66	63%	0.626	39%	0.387	S	S	*	.	H	α-helix	trans	-63.3	-40.4	175.7	-75.6	-34	0	0	0	112.2	G21 Q22 A28 F29	G21-N25 PolarHBondContact O-N 3.01Å; G21-N25 PolarHBondContact O-ND2 2.87Å; Q22-N25 PolarHBondContact O-N 3.37Å; N25-A28 PolarHBondContact O-N 3.12Å; N25-F29 WeakPolarHBondContact O-CB 3.37Å; N25-F29 PolarHBondContact O-N 3.1Å
26	Q	87.9	Confident	77	Confident	45 Å²	45	63 Å²	63	21%	0.21	37%	0.37	C	S	.	.	H	α-helix	trans	-62.3	-45.9	175.2	-74.4	177.7	-14.4	0	0	111.6	Q22 T23 Q24 A28 F29 I30 F61	Q22-Q26 WeakPolarHBondContact O-CG 3.49Å; Q22-Q26 PolarHBondContact O-N 3.43Å; T23-Q26 PolarHBondContact O-N 2.84Å; Q24-Q26 PolarHBondContact O-N 2.91Å; Q26-A28 PolarHBondContact O-N 3.32Å; Q26-F29 PolarHBondContact O-N 3.4Å; Q26-I30 VanDerWaalsContact O-CG1 3.25Å; Q26-I30 WeakPolarHBondContact O-CG1 3.44Å; Q26-I30 PolarHBondContact O-N 3.01Å; Q26-F61 HydrophobicContact CG-CB 4.36Å; Q26-F61 HydrophobicContact CG-CD1 4.36Å
27	S	88.5	Confident	78.7	Confident	51 Å²	51	60.7 Å²	60.7	36%	0.357	35%	0.353	S	S	.	.	H	α-helix	trans	-60.8	-46.2	178.3	-58.1	0	0	0	0	111	T23 Q24 F29 I30 E31	T23-S27 WeakPolarHBondContact O-CB 3.44Å; T23-S27 PolarHBondContact O-N 3.11Å; T23-S27 PolarHBondContact O-OG 3.41Å; Q24-S27 PolarHBondContact O-N 3.37Å; S27-F29 VanDerWaalsContact C-N 3.34Å; S27-F29 PolarHBondContact O-N 3.19Å; S27-I30 PolarHBondContact O-N 2.83Å; S27-E31 WeakPolarHBondContact O-CG 3.41Å; S27-E31 PolarHBondContact O-N 3.11Å
28	A	90.4	Very high	80.5	Confident	50 Å²	50	59 Å²	59	41%	0.413	33%	0.332	S	S	.	.	H	α-helix	trans	-61.8	-40.7	176.7	0	0	0	0	0	112.5	Q24 N25 Q26 E31 Q32	Q24-A28 WeakPolarHBondContact O-CB 3.44Å; Q24-A28 PolarHBondContact O-N 3.42Å; N25-A28 PolarHBondContact O-N 3.12Å; Q26-A28 PolarHBondContact O-N 3.32Å; A28-E31 PolarHBondContact O-N 3.29Å; A28-Q32 WeakPolarHBondContact O-CG 3.43Å; A28-Q32 PolarHBondContact O-N 2.9Å; A28-Q32 VanDerWaalsContact O-N 3.09Å
29	F	93.6	Very high	82.6	Confident	21 Å²	21	61.8 Å²	61.8	9%	0.092	33%	0.333	C	S	.	.	H	α-helix	trans	-64.7	-44.2	176.4	-176.2	-122.4	0	0	0	111.6	N25 Q26 S27 E31 Q32 L33 L56 G62 L74 Y111	N25-F29 WeakPolarHBondContact O-CB 3.37Å; N25-F29 PolarHBondContact O-N 3.1Å; Q26-F29 PolarHBondContact O-N 3.4Å; S27-F29 VanDerWaalsContact C-N 3.34Å; S27-F29 PolarHBondContact O-N 3.19Å; F29-E31 VanDerWaalsContact C-N 3.31Å; F29-E31 PolarHBondContact O-N 3.27Å; F29-Q32 PolarHBondContact O-N 2.88Å; F29-L33 HydrophobicContact CD1-CD1 4.07Å; F29-L33 HydrophobicContact CD1-CG 4.49Å; F29-L33 HydrophobicContact CD2-CG 4.38Å; F29-L33 HydrophobicContact CE1-CD1 3.55Å; F29-L33 HydrophobicContact CE1-CG 4.18Å; F29-L33 HydrophobicContact CE2-CD1 4.29Å; F29-L33 HydrophobicContact CE2-CD2 3.98Å; F29-L33 HydrophobicContact CE2-CG 4.06Å; F29-L33 HydrophobicContact CZ-CD1 3.69Å; F29-L33 HydrophobicContact CZ-CD2 3.97Å; F29-L33 HydrophobicContact CZ-CG 3.96Å; F29-L33 WeakPolarHBondContact O-CG 2.92Å; F29-L33 PolarHBondContact O-N 3.39Å; F29-L56 HydrophobicContact CD1-CD2 4.11Å; F29-L56 HydrophobicContact CE1-CD2 4.2Å; F29-G62 VanDerWaalsContact CE1-N 3.29Å; F29-L74 HydrophobicContact CZ-CD2 4.2Å; F29-Y111 HydrophobicContact CE2-CE1 4.34Å; F29-Y111 HydrophobicContact CE2-CE2 4.17Å; F29-Y111 AromaticContact CE2-CZ 3.77Å
30	I	96.2	Very high	84.8	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-58.6	-42.3	175.9	-70.8	165.8	0	0	0	111.4	Q26 S27 L33 G34 V52 L56 Y166 L168 F171	Q26-I30 VanDerWaalsContact O-CG1 3.25Å; Q26-I30 WeakPolarHBondContact O-CG1 3.44Å; Q26-I30 PolarHBondContact O-N 3.01Å; S27-I30 PolarHBondContact O-N 2.83Å; I30-L33 PolarHBondContact O-N 3.35Å; I30-G34 PolarHBondContact O-N 3.33Å; I30-V52 HydrophobicContact CG2-CG1 4.48Å; I30-L56 HydrophobicContact CD1-CD1 4.22Å; I30-L56 HydrophobicContact CG1-CD1 4Å; I30-L56 HydrophobicContact CG1-CD2 3.79Å; I30-L56 HydrophobicContact CG1-CG 4.47Å; I30-Y166 HydrophobicContact CD1-CD1 3.36Å; I30-Y166 HydrophobicContact CD1-CD2 4.27Å; I30-Y166 HydrophobicContact CD1-CE1 3.67Å; I30-Y166 HydrophobicContact CD1-CG 3.67Å; I30-L168 HydrophobicContact CG2-CD2 3.63Å; I30-F171 HydrophobicContact CG2-CE2 4.05Å; I30-F171 HydrophobicContact CG2-CZ 4.38Å
31	E	95.1	Very high	87.3	Confident	81 Å²	81	52.4 Å²	52.4	38%	0.379	29%	0.288	S	S	.	.	H	α-helix	trans	-65.8	-40	177.2	-67.1	-55.4	147	0	0	112.5	S27 A28 F29 G34 A35 R170 F171	S27-E31 WeakPolarHBondContact O-CG 3.41Å; S27-E31 PolarHBondContact O-N 3.11Å; A28-E31 PolarHBondContact O-N 3.29Å; F29-E31 VanDerWaalsContact C-N 3.31Å; F29-E31 PolarHBondContact O-N 3.27Å; E31-G34 PolarHBondContact O-N 3.04Å; E31-A35 WeakPolarHBondContact O-CB 3.23Å; E31-A35 PolarHBondContact O-N 3.07Å; E31-R170 IonicContact OE1-CZ 2.73Å; E31-R170 IonicContact OE1-NE 2.84Å; E31-R170 PolarHBondContact OE1-NE 2.81Å; E31-R170 IonicContact OE1-NH2 2.62Å; E31-R170 PolarHBondContact OE1-NH2 3.25Å; E31-F171 WeakPolarHBondContact OE2-CE1 3.48Å; E31-F171 WeakPolarHBondContact OE2-CZ 3.46Å
32	Q	95.3	Very high	88.8	Confident	107 Å²	107	54.3 Å²	54.3	50%	0.5	30%	0.301	S	S	.	.	H	α-helix	trans	-63	-43.5	175	-73.1	-179.8	2.2	0	0	112	A28 F29 S36	A28-Q32 WeakPolarHBondContact O-CG 3.43Å; A28-Q32 PolarHBondContact O-N 2.9Å; A28-Q32 VanDerWaalsContact O-N 3.09Å; F29-Q32 PolarHBondContact O-N 2.88Å; Q32-S36 PolarHBondContact O-N 2.92Å; Q32-S36 PolarHBondContact O-OG 3.15Å
33	L	97	Very high	90.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.1	-45.7	175.5	-67.4	-172	0	0	0	111.1	F29 I30 A35 S36 A37 V52 A55 L56 L74 Y111 F115	F29-L33 HydrophobicContact CD1-CD1 4.07Å; F29-L33 HydrophobicContact CD1-CG 4.49Å; F29-L33 HydrophobicContact CD2-CG 4.38Å; F29-L33 HydrophobicContact CE1-CD1 3.55Å; F29-L33 HydrophobicContact CE1-CG 4.18Å; F29-L33 HydrophobicContact CE2-CD1 4.29Å; F29-L33 HydrophobicContact CE2-CD2 3.98Å; F29-L33 HydrophobicContact CE2-CG 4.06Å; F29-L33 HydrophobicContact CZ-CD1 3.69Å; F29-L33 HydrophobicContact CZ-CD2 3.97Å; F29-L33 HydrophobicContact CZ-CG 3.96Å; F29-L33 WeakPolarHBondContact O-CG 2.92Å; F29-L33 PolarHBondContact O-N 3.39Å; I30-L33 PolarHBondContact O-N 3.35Å; L33-A35 PolarHBondContact O-N 3.05Å; L33-S36 PolarHBondContact O-N 3.44Å; L33-S36 VanDerWaalsContact O-N 3.17Å; L33-A37 VanDerWaalsContact O-CB 3.28Å; L33-A37 WeakPolarHBondContact O-CB 3.22Å; L33-A37 PolarHBondContact O-N 3.22Å; L33-V52 HydrophobicContact CB-CG1 4.14Å; L33-V52 HydrophobicContact CB-CG2 4.2Å; L33-V52 HydrophobicContact CD1-CG1 4.49Å; L33-A55 HydrophobicContact CD1-CB 3.85Å; L33-L56 HydrophobicContact CD1-CD2 4.15Å; L33-L74 HydrophobicContact CD2-CD1 3.75Å; L33-L74 HydrophobicContact CD2-CD2 3.73Å; L33-L74 HydrophobicContact CD2-CG 4.41Å; L33-Y111 HydrophobicContact CD2-CD1 4.13Å; L33-Y111 HydrophobicContact CD2-CD2 4.1Å; L33-Y111 HydrophobicContact CD2-CE1 4.46Å; L33-Y111 HydrophobicContact CD2-CE2 4.45Å; L33-Y111 HydrophobicContact CD2-CG 3.95Å; L33-F115 HydrophobicContact CB-CE2 4.17Å; L33-F115 HydrophobicContact CB-CZ 4.11Å; L33-F115 HydrophobicContact CD2-CE2 3.89Å; L33-F115 HydrophobicContact CD2-CZ 4.03Å; L33-F115 HydrophobicContact CG-CZ 4.5Å; L33-F115 WeakPolarHBondContact O-CE2 3.41Å
34	G	96.8	Very high	92	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-57.7	-49	178.6	0	0	0	0	0	112.4	I30 E31 S36 A37 M38	I30-G34 PolarHBondContact O-N 3.33Å; E31-G34 PolarHBondContact O-N 3.04Å; G34-S36 VanDerWaalsContact C-N 3.28Å; G34-S36 PolarHBondContact O-N 3.05Å; G34-A37 PolarHBondContact O-N 3.04Å; G34-M38 WeakPolarHBondContact O-CB 3.26Å; G34-M38 VanDerWaalsContact O-CG 3.25Å; G34-M38 WeakPolarHBondContact O-CG 3.38Å; G34-M38 PolarHBondContact O-N 3.39Å
35	A	95.1	Very high	93.7	Very high	51 Å²	51	46.1 Å²	46.1	42%	0.421	27%	0.27	S	S	.	.	H	α-helix	trans	-58.7	-40.1	176.3	0	0	0	0	0	112.3	E31 L33 Q39	E31-A35 WeakPolarHBondContact O-CB 3.23Å; E31-A35 PolarHBondContact O-N 3.07Å; L33-A35 PolarHBondContact O-N 3.05Å; A35-Q39 WeakPolarHBondContact O-CG 3.27Å; A35-Q39 PolarHBondContact O-N 3.39Å
36	S	96.5	Very high	94.5	Very high	18 Å²	18	40.8 Å²	40.8	13%	0.126	24%	0.242	C	C	.	.	H	α-helix	trans	-72.8	-42.4	178.6	-55.6	0	0	0	0	112.1	Q32 L33 G34 M38 Q39 V40	Q32-S36 PolarHBondContact O-N 2.92Å; Q32-S36 PolarHBondContact O-OG 3.15Å; L33-S36 PolarHBondContact O-N 3.44Å; L33-S36 VanDerWaalsContact O-N 3.17Å; G34-S36 VanDerWaalsContact C-N 3.28Å; G34-S36 PolarHBondContact O-N 3.05Å; S36-M38 VanDerWaalsContact C-N 3.33Å; S36-M38 PolarHBondContact O-N 2.84Å; S36-Q39 WeakPolarHBondContact O-CB 3.31Å; S36-Q39 PolarHBondContact O-N 3.26Å; S36-V40 PolarHBondContact O-N 3.38Å
37	A	97.8	Very high	95	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.4	-35.8	177.6	0	0	0	0	0	111.7	L33 G34 Q39 V40 S41 A48 M51 V52 F115	L33-A37 VanDerWaalsContact O-CB 3.28Å; L33-A37 WeakPolarHBondContact O-CB 3.22Å; L33-A37 PolarHBondContact O-N 3.22Å; G34-A37 PolarHBondContact O-N 3.04Å; A37-Q39 VanDerWaalsContact C-N 3.31Å; A37-Q39 PolarHBondContact O-N 3.35Å; A37-V40 PolarHBondContact O-N 2.67Å; A37-S41 WeakPolarHBondContact O-CB 3.47Å; A37-S41 PolarHBondContact O-N 3.22Å; A37-S41 PolarHBondContact O-OG 3.29Å; A37-A48 HydrophobicContact CB-CB 4.09Å; A37-M51 HydrophobicContact CB-CB 4.13Å; A37-V52 HydrophobicContact CB-CG2 3.69Å; A37-F115 HydrophobicContact CB-CD2 4.31Å; A37-F115 HydrophobicContact CB-CE1 4.4Å; A37-F115 HydrophobicContact CB-CE2 4.07Å; A37-F115 HydrophobicContact CB-CZ 4.12Å
38	M	95.9	Very high	95.4	Very high	42 Å²	42	37.4 Å²	37.4	21%	0.207	22%	0.219	C	C	.	.	H	α-helix	trans	-60	-38.7	173.1	-78.5	-179.8	70.7	0	0	112.8	G34 S36 V40 A48 F171	G34-M38 WeakPolarHBondContact O-CB 3.26Å; G34-M38 VanDerWaalsContact O-CG 3.25Å; G34-M38 WeakPolarHBondContact O-CG 3.38Å; G34-M38 PolarHBondContact O-N 3.39Å; S36-M38 VanDerWaalsContact C-N 3.33Å; S36-M38 PolarHBondContact O-N 2.84Å; M38-V40 PolarHBondContact O-N 3.21Å; M38-A48 HydrophobicContact CG-CB 4.41Å; M38-F171 HydrophobicContact CG-CB 3.9Å; M38-F171 HydrophobicContact CG-CD1 4.39Å; M38-F171 WeakPolarHBondContact CG-O 3.5Å; M38-F171 HydrophobicContact SD-CB 4.2Å; M38-F171 HydrophobicContact SD-CD1 3.81Å; M38-F171 HydrophobicContact SD-CG 4.5Å
39	Q	94.1	Very high	95.8	Very high	136 Å²	136	35 Å²	35	64%	0.636	20%	0.2	S	C	*	.	H	α-helix	trans	-64.3	-32.6	178.6	-67.4	170	17.8	0	0	112.2	A35 S36 A37	A35-Q39 WeakPolarHBondContact O-CG 3.27Å; A35-Q39 PolarHBondContact O-N 3.39Å; S36-Q39 WeakPolarHBondContact O-CB 3.31Å; S36-Q39 PolarHBondContact O-N 3.26Å; A37-Q39 VanDerWaalsContact C-N 3.31Å; A37-Q39 PolarHBondContact O-N 3.35Å
40	V	97	Very high	96	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.03	20%	0.197	C	C	.	.	H	α-helix	trans	-95.3	-44.8	-173.8	177.1	0	0	0	0	112	S36 A37 M38 A42 S43 N44 M51 A112 F115 Q116 A119	S36-V40 PolarHBondContact O-N 3.38Å; A37-V40 PolarHBondContact O-N 2.67Å; M38-V40 PolarHBondContact O-N 3.21Å; V40-A42 VanDerWaalsContact C-N 3.34Å; V40-A42 PolarHBondContact O-N 3.07Å; V40-S43 PolarHBondContact O-N 3.32Å; V40-S43 PolarHBondContact O-OG 3.11Å; V40-S43 VanDerWaalsContact O-OG 3.09Å; V40-N44 WeakPolarHBondContact CG1-ND2 3.46Å; V40-N44 PolarHBondContact O-N 3.28Å; V40-N44 PolarHBondContact O-ND2 2.97Å; V40-M51 HydrophobicContact CB-CE 4.04Å; V40-M51 HydrophobicContact CG1-CE 3.73Å; V40-A112 HydrophobicContact CG2-CB 4.49Å; V40-A112 WeakPolarHBondContact CG2-O 3.49Å; V40-F115 HydrophobicContact CB-CB 4.34Å; V40-F115 HydrophobicContact CG1-CB 4.47Å; V40-F115 HydrophobicContact CG2-CB 4Å; V40-Q116 HydrophobicContact CG1-CB 4.3Å; V40-Q116 HydrophobicContact CG2-CB 4.25Å; V40-A119 HydrophobicContact CG1-CB 3.63Å
41	S	96.5	Very high	96.1	Very high	5 Å²	5	34.3 Å²	34.3	4%	0.035	20%	0.197	C	C	.	.	H	α-helix	trans	-57.5	-41.4	-170.5	55	0	0	0	0	113.8	A37 S43 N44 D45 L46	A37-S41 WeakPolarHBondContact O-CB 3.47Å; A37-S41 PolarHBondContact O-N 3.22Å; A37-S41 PolarHBondContact O-OG 3.29Å; S41-S43 PolarHBondContact O-N 2.95Å; S41-N44 PolarHBondContact O-N 2.88Å; S41-D45 PolarHBondContact O-N 3.26Å; S41-D45 VanDerWaalsContact O-N 3.12Å; S41-L46 WeakPolarHBondContact CB-O 3.45Å; S41-L46 PolarHBondContact O-N 3.04Å; S41-L46 VanDerWaalsContact O-N 3.11Å
42	A	88.3	Confident	96.3	Very high	72 Å²	72	30.5 Å²	30.5	60%	0.595	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-40.5	-175.2	0	0	0	0	0	113.2	V40 N44	V40-A42 VanDerWaalsContact C-N 3.34Å; V40-A42 PolarHBondContact O-N 3.07Å; A42-N44 VanDerWaalsContact C-N 3.31Å
43	S	93.3	Very high	96.5	Very high	93 Å²	93	25.4 Å²	25.4	65%	0.65	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-15	178.6	53.2	0	0	0	0	113.3	V40 S41	V40-S43 PolarHBondContact O-N 3.32Å; V40-S43 PolarHBondContact O-OG 3.11Å; V40-S43 VanDerWaalsContact O-OG 3.09Å; S41-S43 PolarHBondContact O-N 2.95Å
44	N	96.9	Very high	96.5	Very high	22 Å²	22	25.4 Å²	25.4	12%	0.118	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	7	-175.8	-68.8	-90.3	0	0	0	113.3	V40 S41 A42 L46 Q116 A119 T123	V40-N44 WeakPolarHBondContact CG1-ND2 3.46Å; V40-N44 PolarHBondContact O-N 3.28Å; V40-N44 PolarHBondContact O-ND2 2.97Å; S41-N44 PolarHBondContact O-N 2.88Å; A42-N44 VanDerWaalsContact C-N 3.31Å; N44-L46 VanDerWaalsContact C-N 3.35Å; N44-L46 HydrophobicContact CB-CD1 4.17Å; N44-L46 HydrophobicContact CB-CG 4.4Å; N44-L46 WeakPolarHBondContact O-CG 3.39Å; N44-L46 PolarHBondContact O-N 2.78Å; N44-Q116 PolarHBondContact ND2-NE2 3.2Å; N44-Q116 PolarHBondContact ND2-OE1 3.01Å; N44-Q116 VanDerWaalsContact ND2-OE1 3.1Å; N44-Q116 PolarHBondContact OD1-NE2 3.05Å; N44-A119 HydrophobicContact CB-CB 3.99Å; N44-T123 HydrophobicContact CB-CG2 3.96Å; N44-T123 WeakPolarHBondContact O-CG2 3.42Å
45	D	96.1	Very high	96.6	Very high	51 Å²	51	25.4 Å²	25.4	27%	0.273	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	41.5	178.6	-171.5	35.7	0	0	0	113.3	S41 R131 K132 S133	S41-D45 PolarHBondContact O-N 3.26Å; S41-D45 VanDerWaalsContact O-N 3.12Å; D45-R131 CarbonylContact O-C 3.59Å; D45-R131 VanDerWaalsContact O-CA 3.3Å; D45-R131 WeakPolarHBondContact O-CA 3.36Å; D45-R131 WeakPolarHBondContact O-CB 3.34Å; D45-R131 WeakPolarHBondContact OD2-CB 3.38Å; D45-K132 PolarHBondContact O-N 3.42Å; D45-K132 WeakPolarHBondContact OD1-CB 3.43Å; D45-S133 WeakPolarHBondContact OD1-CB 3.47Å; D45-S133 PolarHBondContact OD1-N 3.35Å; D45-S133 VanDerWaalsContact OD2-CB 3.22Å; D45-S133 WeakPolarHBondContact OD2-CB 3.36Å; D45-S133 PolarHBondContact OD2-N 3.36Å; D45-S133 PolarHBondContact OD2-OG 2.62Å
46	L	97.1	Very high	96.7	Very high	5 Å²	5	23 Å²	23	3%	0.026	14%	0.135	C	C	.	.			trans	-123.2	161.7	-177.8	-64.8	172.9	0	0	0	112.1	S41 N44 M51 A119 L122 R131 K132	S41-L46 WeakPolarHBondContact CB-O 3.45Å; S41-L46 PolarHBondContact O-N 3.04Å; S41-L46 VanDerWaalsContact O-N 3.11Å; N44-L46 VanDerWaalsContact C-N 3.35Å; N44-L46 HydrophobicContact CB-CD1 4.17Å; N44-L46 HydrophobicContact CB-CG 4.4Å; N44-L46 WeakPolarHBondContact O-CG 3.39Å; N44-L46 PolarHBondContact O-N 2.78Å; L46-M51 HydrophobicContact CB-SD 4.14Å; L46-M51 HydrophobicContact CD1-SD 4.22Å; L46-A119 HydrophobicContact CD1-CB 3.78Å; L46-L122 HydrophobicContact CD1-CB 4.03Å; L46-L122 HydrophobicContact CD1-CD1 4.4Å; L46-L122 HydrophobicContact CD2-CB 4.06Å; L46-R131 HydrophobicContact CD2-CG 4.37Å; L46-K132 WeakPolarHBondContact O-CD 3.22Å; L46-K132 WeakPolarHBondContact O-CE 3.33Å
47	Y	97.4	Very high	96.7	Very high	24 Å²	24	24.5 Å²	24.5	9%	0.094	14%	0.143	C	C	.	.			trans	-84.1	122.9	168.5	-64.3	-90.3	0	0	0	109.8	S49 I50 M51 K132 T135 S137 A141 D172	Y47-S49 PolarHBondContact O-N 3.08Å; Y47-I50 HydrophobicContact CD2-CG1 4.49Å; Y47-I50 HydrophobicContact CG-CG1 4.44Å; Y47-I50 PolarHBondContact O-N 3.27Å; Y47-M51 WeakPolarHBondContact O-CG 3.33Å; Y47-M51 PolarHBondContact O-N 3.44Å; Y47-M51 VanDerWaalsContact O-N 3.1Å; Y47-K132 HydrophobicContact CD1-CD 4.29Å; Y47-K132 HydrophobicContact CD1-CG 3.92Å; Y47-K132 HydrophobicContact CD2-CG 3.6Å; Y47-K132 HydrophobicContact CE1-CD 4.35Å; Y47-K132 HydrophobicContact CE1-CG 3.82Å; Y47-K132 HydrophobicContact CE2-CB 4.19Å; Y47-K132 HydrophobicContact CE2-CG 3.5Å; Y47-K132 HydrophobicContact CG-CD 4.44Å; Y47-K132 HydrophobicContact CG-CG 3.8Å; Y47-T135 VanDerWaalsContact CE2-OG1 3.27Å; Y47-T135 WeakPolarHBondContact CE2-OG1 3.49Å; Y47-T135 PolarHBondContact OH-OG1 2.87Å; Y47-T135 VanDerWaalsContact OH-OG1 3.05Å; Y47-S137 VanDerWaalsContact CZ-C 3.48Å; Y47-S137 WeakPolarHBondContact OH-CA 3.45Å; Y47-S137 PolarHBondContact OH-N 3.04Å; Y47-S137 PolarHBondContact OH-O 2.87Å; Y47-A141 HydrophobicContact CD2-CB 4.04Å; Y47-A141 HydrophobicContact CE2-CB 4.08Å; Y47-D172 WeakPolarHBondContact CA-OD1 3.09Å
48	A	97.9	Very high	96.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.3	-35.8	171.2	0	0	0	0	0	110.6	A37 M38 I50 M51 V52 F171 D172	A37-A48 HydrophobicContact CB-CB 4.09Å; M38-A48 HydrophobicContact CG-CB 4.41Å; A48-I50 PolarHBondContact O-N 2.78Å; A48-M51 PolarHBondContact O-N 3.31Å; A48-V52 VanDerWaalsContact O-CG2 3.31Å; A48-V52 WeakPolarHBondContact O-CG2 3.48Å; A48-V52 PolarHBondContact O-N 3.21Å; A48-F171 HydrophobicContact CB-CB 3.77Å; A48-F171 WeakPolarHBondContact CB-O 3.48Å; A48-D172 WeakPolarHBondContact CA-OD1 3.48Å; A48-D172 PolarHBondContact N-OD1 3.39Å
49	S	98.2	Very high	96.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.7	-44.2	176.3	58.9	0	0	0	0	112.5	Y47 A53 L168 D172	Y47-S49 PolarHBondContact O-N 3.08Å; S49-A53 VanDerWaalsContact O-CB 3.27Å; S49-A53 WeakPolarHBondContact O-CB 3.41Å; S49-A53 PolarHBondContact O-N 3.19Å; S49-L168 WeakPolarHBondContact CB-O 3.29Å; S49-D172 WeakPolarHBondContact CB-OD2 3.24Å; S49-D172 PolarHBondContact N-OD1 2.96Å; S49-D172 PolarHBondContact OG-OD1 3.38Å; S49-D172 PolarHBondContact OG-OD2 2.99Å
50	I	98.3	Very high	96.4	Very high	8 Å²	8	21.4 Å²	21.4	4%	0.041	14%	0.138	C	C	.	.	H	α-helix	trans	-64	-47.6	174.3	-68.4	-73.6	0	0	0	110.6	Y47 A48 V52 A53 Q54 Y138 A141 A142 L145 L159 I163	Y47-I50 HydrophobicContact CD2-CG1 4.49Å; Y47-I50 HydrophobicContact CG-CG1 4.44Å; Y47-I50 PolarHBondContact O-N 3.27Å; A48-I50 PolarHBondContact O-N 2.78Å; I50-V52 VanDerWaalsContact C-N 3.35Å; I50-V52 PolarHBondContact O-N 3.13Å; I50-A53 PolarHBondContact O-N 2.84Å; I50-Q54 HydrophobicContact CG2-CG 4.29Å; I50-Q54 WeakPolarHBondContact O-CG 3.27Å; I50-Q54 PolarHBondContact O-N 3.43Å; I50-Y138 WeakPolarHBondContact CD1-O 3.16Å; I50-A141 HydrophobicContact CG1-CB 4.37Å; I50-A142 HydrophobicContact CD1-CB 3.85Å; I50-L145 HydrophobicContact CG2-CD1 3.71Å; I50-L159 HydrophobicContact CD1-CD1 4.36Å; I50-I163 HydrophobicContact CD1-CD1 3.64Å; I50-I163 HydrophobicContact CG1-CD1 4.16Å
51	M	98.5	Very high	96.3	Very high	1 Å²	1	24 Å²	24	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-57.8	-47.1	180	-66.4	176.1	71.4	0	0	111.6	A37 V40 L46 Y47 A48 Q54 A55 F115 A119	A37-M51 HydrophobicContact CB-CB 4.13Å; V40-M51 HydrophobicContact CB-CE 4.04Å; V40-M51 HydrophobicContact CG1-CE 3.73Å; L46-M51 HydrophobicContact CB-SD 4.14Å; L46-M51 HydrophobicContact CD1-SD 4.22Å; Y47-M51 WeakPolarHBondContact O-CG 3.33Å; Y47-M51 PolarHBondContact O-N 3.44Å; Y47-M51 VanDerWaalsContact O-N 3.1Å; A48-M51 PolarHBondContact O-N 3.31Å; M51-Q54 PolarHBondContact O-N 3.44Å; M51-A55 PolarHBondContact O-N 3.04Å; M51-F115 HydrophobicContact CB-CD1 4.03Å; M51-F115 HydrophobicContact CB-CE1 3.87Å; M51-F115 HydrophobicContact CE-CB 3.64Å; M51-F115 HydrophobicContact CE-CD1 3.57Å; M51-F115 HydrophobicContact CE-CG 3.87Å; M51-F115 WeakPolarHBondContact O-CE1 3.3Å; M51-A119 HydrophobicContact CE-CB 4.41Å
52	V	98.6	Very high	96	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.5	-45.8	177.2	177.4	0	0	0	0	110.9	I30 L33 A37 A48 I50 Q54 A55 L56 L168 F171	I30-V52 HydrophobicContact CG2-CG1 4.48Å; L33-V52 HydrophobicContact CB-CG1 4.14Å; L33-V52 HydrophobicContact CB-CG2 4.2Å; L33-V52 HydrophobicContact CD1-CG1 4.49Å; A37-V52 HydrophobicContact CB-CG2 3.69Å; A48-V52 VanDerWaalsContact O-CG2 3.31Å; A48-V52 WeakPolarHBondContact O-CG2 3.48Å; A48-V52 PolarHBondContact O-N 3.21Å; I50-V52 VanDerWaalsContact C-N 3.35Å; I50-V52 PolarHBondContact O-N 3.13Å; V52-Q54 VanDerWaalsContact C-N 3.33Å; V52-Q54 PolarHBondContact O-N 3.24Å; V52-A55 PolarHBondContact O-N 3.32Å; V52-L56 HydrophobicContact CG1-CD1 4.21Å; V52-L56 HydrophobicContact CG1-CG 4.32Å; V52-L56 WeakPolarHBondContact O-CG 3.28Å; V52-L56 PolarHBondContact O-N 2.94Å; V52-L168 HydrophobicContact CB-CD1 4.21Å; V52-L168 HydrophobicContact CG1-CD1 3.96Å; V52-L168 HydrophobicContact CG1-CD2 3.99Å; V52-F171 HydrophobicContact CG2-CD2 4.38Å
53	A	98.4	Very high	96.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60	-42.9	179.4	0	0	0	0	0	112.2	S49 I50 L56 V57 L159 L162 I163 L168	S49-A53 VanDerWaalsContact O-CB 3.27Å; S49-A53 WeakPolarHBondContact O-CB 3.41Å; S49-A53 PolarHBondContact O-N 3.19Å; I50-A53 PolarHBondContact O-N 2.84Å; A53-L56 PolarHBondContact O-N 3.46Å; A53-V57 WeakPolarHBondContact O-CG2 3.11Å; A53-V57 PolarHBondContact O-N 2.93Å; A53-V57 VanDerWaalsContact O-N 3.12Å; A53-L159 HydrophobicContact CB-CB 4.45Å; A53-L159 HydrophobicContact CB-CD2 3.93Å; A53-L162 HydrophobicContact CB-CB 4.19Å; A53-I163 HydrophobicContact CB-CD1 4.16Å; A53-I163 HydrophobicContact CB-CG1 3.75Å; A53-L168 HydrophobicContact CB-CD1 4Å
54	Q	98.5	Very high	96.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.8	-49.5	173.8	-69.3	-170.9	-69.8	0	0	110.8	I50 M51 V52 L56 V57 E58 F75 H118 Y155 L159	I50-Q54 HydrophobicContact CG2-CG 4.29Å; I50-Q54 WeakPolarHBondContact O-CG 3.27Å; I50-Q54 PolarHBondContact O-N 3.43Å; M51-Q54 PolarHBondContact O-N 3.44Å; V52-Q54 VanDerWaalsContact C-N 3.33Å; V52-Q54 PolarHBondContact O-N 3.24Å; Q54-L56 VanDerWaalsContact C-N 3.27Å; Q54-L56 PolarHBondContact O-N 3.29Å; Q54-V57 WeakPolarHBondContact O-CA 3.3Å; Q54-V57 WeakPolarHBondContact O-CB 3.17Å; Q54-V57 PolarHBondContact O-N 3.42Å; Q54-E58 WeakPolarHBondContact O-CG 3.32Å; Q54-E58 PolarHBondContact O-N 2.81Å; Q54-F75 HydrophobicContact CB-CE1 4.23Å; Q54-H118 PolarHBondContact OE1-NE2 3.37Å; Q54-Y155 WeakPolarHBondContact CG-OH 3.25Å; Q54-Y155 PolarHBondContact NE2-OH 2.94Å; Q54-Y155 VanDerWaalsContact NE2-OH 3.07Å; Q54-L159 HydrophobicContact CG-CD1 4.08Å; Q54-L159 HydrophobicContact CG-CD2 3.88Å
55	A	98.3	Very high	95.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.6	-37	178	0	0	0	0	0	112.6	L33 M51 V52 E58 T59 L74 F75 F115	L33-A55 HydrophobicContact CD1-CB 3.85Å; M51-A55 PolarHBondContact O-N 3.04Å; V52-A55 PolarHBondContact O-N 3.32Å; A55-E58 PolarHBondContact O-N 3.36Å; A55-T59 VanDerWaalsContact O-CB 3.29Å; A55-T59 WeakPolarHBondContact O-CB 3.4Å; A55-T59 WeakPolarHBondContact O-CG2 3.29Å; A55-T59 PolarHBondContact O-N 3.13Å; A55-T59 PolarHBondContact O-OG1 3.24Å; A55-L74 HydrophobicContact CB-CB 4.34Å; A55-L74 HydrophobicContact CB-CD1 4.14Å; A55-F75 HydrophobicContact CB-CE1 4.18Å; A55-F75 HydrophobicContact CB-CZ 4.13Å; A55-F115 HydrophobicContact CB-CE1 3.92Å; A55-F115 HydrophobicContact CB-CZ 3.91Å
56	L	97.3	Very high	95.9	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.4	-39.6	174.8	-67.4	174.8	0	0	0	112.4	F29 I30 L33 V52 A53 Q54 G60 F61 L162 L168	F29-L56 HydrophobicContact CD1-CD2 4.11Å; F29-L56 HydrophobicContact CE1-CD2 4.2Å; I30-L56 HydrophobicContact CD1-CD1 4.22Å; I30-L56 HydrophobicContact CG1-CD1 4Å; I30-L56 HydrophobicContact CG1-CD2 3.79Å; I30-L56 HydrophobicContact CG1-CG 4.47Å; L33-L56 HydrophobicContact CD1-CD2 4.15Å; V52-L56 HydrophobicContact CG1-CD1 4.21Å; V52-L56 HydrophobicContact CG1-CG 4.32Å; V52-L56 WeakPolarHBondContact O-CG 3.28Å; V52-L56 PolarHBondContact O-N 2.94Å; A53-L56 PolarHBondContact O-N 3.46Å; Q54-L56 VanDerWaalsContact C-N 3.27Å; Q54-L56 PolarHBondContact O-N 3.29Å; L56-G60 PolarHBondContact O-N 2.98Å; L56-F61 HydrophobicContact CB-CD1 4.49Å; L56-F61 HydrophobicContact CB-CE1 4.42Å; L56-F61 HydrophobicContact CD1-CE1 4.15Å; L56-F61 HydrophobicContact CD2-CD1 3.8Å; L56-F61 HydrophobicContact CD2-CE1 4.24Å; L56-F61 HydrophobicContact CD2-CG 4.41Å; L56-F61 HydrophobicContact CG-CD1 4.49Å; L56-F61 PolarHBondContact O-N 3.43Å; L56-L162 HydrophobicContact CB-CD1 4.27Å; L56-L168 HydrophobicContact CD1-CD1 4.3Å
57	V	96.1	Very high	95.8	Very high	50 Å²	50	27.8 Å²	27.8	30%	0.303	16%	0.161	S	C	.	.	H	α-helix	trans	-64.8	-54.1	173.9	174	0	0	0	0	110.5	A53 Q54 T59 G60 Y155 L159 L162	A53-V57 WeakPolarHBondContact O-CG2 3.11Å; A53-V57 PolarHBondContact O-N 2.93Å; A53-V57 VanDerWaalsContact O-N 3.12Å; Q54-V57 WeakPolarHBondContact O-CA 3.3Å; Q54-V57 WeakPolarHBondContact O-CB 3.17Å; Q54-V57 PolarHBondContact O-N 3.42Å; V57-T59 VanDerWaalsContact C-N 3.29Å; V57-T59 PolarHBondContact O-N 3.07Å; V57-G60 PolarHBondContact O-N 2.83Å; V57-Y155 HydrophobicContact CG1-CE2 4.46Å; V57-L159 HydrophobicContact CG2-CD2 4.17Å; V57-L162 HydrophobicContact CG2-CD1 3.49Å; V57-L162 VanDerWaalsContact CG2-CD1 3.49Å
58	E	94.9	Very high	95.7	Very high	78 Å²	78	28.4 Å²	28.4	36%	0.364	17%	0.17	S	C	.	.	H	α-helix	trans	-66.2	-30.4	-172.8	-60	-41.6	144	0	0	112.9	Q54 A55 L74 F75	Q54-E58 WeakPolarHBondContact O-CG 3.32Å; Q54-E58 PolarHBondContact O-N 2.81Å; A55-E58 PolarHBondContact O-N 3.36Å; E58-L74 VanDerWaalsContact CB-O 3.3Å; E58-L74 WeakPolarHBondContact CB-O 3.3Å; E58-F75 HydrophobicContact CB-CD1 4.45Å; E58-F75 HydrophobicContact CG-CD1 3.9Å
59	T	94.8	Very high	95.5	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.018	19%	0.194	C	C	.	.	H	α-helix	trans	-94.7	-8.6	-179	64.7	0	0	0	0	114	A55 V57 G62 T63 S64 L74	A55-T59 VanDerWaalsContact O-CB 3.29Å; A55-T59 WeakPolarHBondContact O-CB 3.4Å; A55-T59 WeakPolarHBondContact O-CG2 3.29Å; A55-T59 PolarHBondContact O-N 3.13Å; A55-T59 PolarHBondContact O-OG1 3.24Å; V57-T59 VanDerWaalsContact C-N 3.29Å; V57-T59 PolarHBondContact O-N 3.07Å; T59-G62 PolarHBondContact O-N 3.44Å; T59-G62 PolarHBondContact OG1-N 3.02Å; T59-T63 PolarHBondContact O-N 3.27Å; T59-T63 PolarHBondContact O-OG1 3.18Å; T59-S64 PolarHBondContact O-N 3.26Å; T59-L74 HydrophobicContact CG2-CB 4.22Å; T59-L74 HydrophobicContact CG2-CD2 3.77Å; T59-L74 VanDerWaalsContact CG2-O 3.32Å; T59-L74 WeakPolarHBondContact CG2-O 3.22Å
60	G	93.1	Very high	95.4	Very high	33 Å²	33	35.4 Å²	35.4	34%	0.34	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	52.8	-167.6	0	0	0	0	0	111.4	L56 V57 G62 T63	L56-G60 PolarHBondContact O-N 2.98Å; V57-G60 PolarHBondContact O-N 2.83Å; G60-G62 PolarHBondContact O-N 2.9Å; G60-T63 WeakPolarHBondContact O-CB 3.48Å; G60-T63 WeakPolarHBondContact O-CG2 3.3Å; G60-T63 PolarHBondContact O-N 3.37Å; G60-T63 PolarHBondContact O-OG1 3.02Å
61	F	93.1	Very high	95.3	Very high	58 Å²	58	37.6 Å²	37.6	25%	0.254	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	42.2	-175	-65.7	-97.6	0	0	0	114	Q26 L56 T63 L162 Y166	Q26-F61 HydrophobicContact CG-CB 4.36Å; Q26-F61 HydrophobicContact CG-CD1 4.36Å; L56-F61 HydrophobicContact CB-CD1 4.49Å; L56-F61 HydrophobicContact CB-CE1 4.42Å; L56-F61 HydrophobicContact CD1-CE1 4.15Å; L56-F61 HydrophobicContact CD2-CD1 3.8Å; L56-F61 HydrophobicContact CD2-CE1 4.24Å; L56-F61 HydrophobicContact CD2-CG 4.41Å; L56-F61 HydrophobicContact CG-CD1 4.49Å; L56-F61 PolarHBondContact O-N 3.43Å; F61-T63 VanDerWaalsContact C-N 3.29Å; F61-T63 PolarHBondContact O-N 3.24Å; F61-L162 HydrophobicContact CE1-CD2 4.19Å; F61-L162 HydrophobicContact CE2-CD2 4.32Å; F61-L162 HydrophobicContact CZ-CD2 3.48Å; F61-L162 VanDerWaalsContact CZ-CD2 3.48Å; F61-Y166 HydrophobicContact CE1-CD2 4.47Å; F61-Y166 AromaticContact CE1-CE2 3.54Å; F61-Y166 HydrophobicContact CE1-CE2 3.54Å; F61-Y166 AromaticContact CE1-CZ 3.61Å; F61-Y166 WeakPolarHBondContact CE1-OH 3.47Å; F61-Y166 AromaticContact CZ-CE2 3.87Å; F61-Y166 HydrophobicContact CZ-CE2 3.87Å
62	G	91.5	Very high	95.3	Very high	24 Å²	24	40.7 Å²	40.7	25%	0.247	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	10	176.1	0	0	0	0	0	114.7	F29 T59 G60 S64	F29-G62 VanDerWaalsContact CE1-N 3.29Å; T59-G62 PolarHBondContact O-N 3.44Å; T59-G62 PolarHBondContact OG1-N 3.02Å; G60-G62 PolarHBondContact O-N 2.9Å; G62-S64 VanDerWaalsContact C-N 3.28Å
63	T	91.3	Very high	95.3	Very high	119 Å²	119	40.8 Å²	40.8	73%	0.73	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-18.5	176.7	57.4	0	0	0	0	112.7	T59 G60 F61 Q65	T59-T63 PolarHBondContact O-N 3.27Å; T59-T63 PolarHBondContact O-OG1 3.18Å; G60-T63 WeakPolarHBondContact O-CB 3.48Å; G60-T63 WeakPolarHBondContact O-CG2 3.3Å; G60-T63 PolarHBondContact O-N 3.37Å; G60-T63 PolarHBondContact O-OG1 3.02Å; F61-T63 VanDerWaalsContact C-N 3.29Å; F61-T63 PolarHBondContact O-N 3.24Å; T63-Q65 PolarHBondContact O-N 3.42Å
64	S	91.6	Very high	95.3	Very high	42 Å²	42	41 Å²	41	29%	0.294	24%	0.243	S	C	.	.			trans	-64.2	121.7	172.4	174.6	0	0	0	0	111.7	T59 G62 L66 S67 A68	T59-S64 PolarHBondContact O-N 3.26Å; G62-S64 VanDerWaalsContact C-N 3.28Å; S64-L66 PolarHBondContact O-N 3.05Å; S64-L66 PolarHBondContact OG-N 3.19Å; S64-S67 WeakPolarHBondContact O-CB 3.31Å; S64-S67 PolarHBondContact O-N 2.62Å; S64-S67 PolarHBondContact O-OG 2.85Å; S64-A68 PolarHBondContact O-N 3.03Å
65	Q	93.7	Very high	95.2	Very high	128 Å²	128	42 Å²	42	60%	0.598	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-36.8	174.4	179.8	-179.7	-38.6	0	0	112	T63 S67 A68 Y71 M88	T63-Q65 PolarHBondContact O-N 3.42Å; Q65-S67 PolarHBondContact O-N 3.5Å; Q65-A68 PolarHBondContact O-N 3.45Å; Q65-Y71 HydrophobicContact CG-CE2 4.42Å; Q65-M88 HydrophobicContact CB-CE 4.34Å; Q65-M88 HydrophobicContact CG-CE 4.18Å
66	L	95.2	Very high	95.1	Very high	15 Å²	15	43.7 Å²	43.7	8%	0.079	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-27.7	179.7	179.5	61.8	0	0	0	112.3	S64 Y71 N73 V86 M88 F105	S64-L66 PolarHBondContact O-N 3.05Å; S64-L66 PolarHBondContact OG-N 3.19Å; L66-Y71 HydrophobicContact CD1-CG 4.46Å; L66-Y71 VanDerWaalsContact O-CB 3.29Å; L66-Y71 WeakPolarHBondContact O-CB 3.17Å; L66-N73 CarbonylContact C-O 3.46Å; L66-N73 HydrophobicContact CD1-CB 3.94Å; L66-N73 HydrophobicContact CD2-CB 4.42Å; L66-N73 HydrophobicContact CG-CB 3.86Å; L66-N73 PolarHBondContact O-N 2.96Å; L66-V86 HydrophobicContact CD1-CG1 4.04Å; L66-M88 HydrophobicContact CB-SD 4.23Å; L66-M88 HydrophobicContact CD1-SD 3.96Å; L66-F105 HydrophobicContact CD1-CB 3.62Å; L66-F105 HydrophobicContact CD1-CG 4.19Å; L66-F105 HydrophobicContact CD2-CB 3.78Å; L66-F105 HydrophobicContact CD2-CD1 3.4Å; L66-F105 HydrophobicContact CD2-CD2 4.22Å; L66-F105 HydrophobicContact CD2-CE1 3.97Å; L66-F105 HydrophobicContact CD2-CG 3.52Å; L66-F105 HydrophobicContact CG-CB 4.36Å
67	S	95.7	Very high	95	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.007	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-26.7	175.7	75.7	0	0	0	0	112.6	S64 Q65 Y72 N73 Y111	S64-S67 WeakPolarHBondContact O-CB 3.31Å; S64-S67 PolarHBondContact O-N 2.62Å; S64-S67 PolarHBondContact O-OG 2.85Å; Q65-S67 PolarHBondContact O-N 3.5Å; S67-Y72 WeakPolarHBondContact O-CA 3.28Å; S67-N73 WeakPolarHBondContact CA-O 3.44Å; S67-Y111 WeakPolarHBondContact O-CE1 3.42Å; S67-Y111 PolarHBondContact O-OH 3.28Å
68	A	94.8	Very high	95	Very high	36 Å²	36	46.9 Å²	46.9	30%	0.298	28%	0.278	S	S	.	.	S	Bend	trans	-75.8	165.6	-178.1	0	0	0	0	0	112.6	S64 Q65 Y71 Y72	S64-A68 PolarHBondContact O-N 3.03Å; Q65-A68 PolarHBondContact O-N 3.45Å; A68-Y71 PolarHBondContact O-N 3.31Å; A68-Y72 PolarHBondContact O-N 3.12Å
69	A	93.2	Very high	95.1	Very high	61 Å²	61	45.1 Å²	45.1	50%	0.504	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	141.8	165.7	0	0	0	0	0	110.3	Y72	A69-Y72 HydrophobicContact CB-CE1 4.1Å; A69-Y72 HydrophobicContact CB-CE2 3.87Å; A69-Y72 WeakPolarHBondContact CB-OH 3.4Å
70	P	96.5	Very high	95.1	Very high	87 Å²	87	51.6 Å²	51.6	57%	0.565	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	cis	-93.2	14.6	8.2	38	-36.3	0	0	0	114.4
71	Y	97.5	Very high	95.2	Very high	53 Å²	53	57.2 Å²	57.2	21%	0.208	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-37.2	-169.2	-48.7	-52.8	0	0	0	114	Q65 L66 A68 N73 V86 M88 V107 Y108	Q65-Y71 HydrophobicContact CG-CE2 4.42Å; L66-Y71 HydrophobicContact CD1-CG 4.46Å; L66-Y71 VanDerWaalsContact O-CB 3.29Å; L66-Y71 WeakPolarHBondContact O-CB 3.17Å; A68-Y71 PolarHBondContact O-N 3.31Å; Y71-N73 PolarHBondContact O-N 3.2Å; Y71-V86 HydrophobicContact CD1-CB 4.05Å; Y71-V86 HydrophobicContact CD1-CG1 3.74Å; Y71-V86 HydrophobicContact CD1-CG2 4.39Å; Y71-V86 HydrophobicContact CE1-CB 3.84Å; Y71-V86 HydrophobicContact CE1-CG1 3.91Å; Y71-V86 HydrophobicContact CE1-CG2 3.7Å; Y71-V86 HydrophobicContact CG-CG1 4.15Å; Y71-M88 HydrophobicContact CE2-SD 4.42Å; Y71-V107 HydrophobicContact CD1-CG2 3.84Å; Y71-Y108 PolarHBondContact O-N 3.41Å
72	Y	98	Very high	95.2	Very high	67 Å²	67	58.1 Å²	58.1	26%	0.263	34%	0.343	S	S	.	.			trans	56.1	21.1	176.1	-59.9	-84.7	0	0	0	115.2	S67 A68 A69 L74 Y108 Y111 S114	S67-Y72 WeakPolarHBondContact O-CA 3.28Å; A68-Y72 PolarHBondContact O-N 3.12Å; A69-Y72 HydrophobicContact CB-CE1 4.1Å; A69-Y72 HydrophobicContact CB-CE2 3.87Å; A69-Y72 WeakPolarHBondContact CB-OH 3.4Å; Y72-L74 PolarHBondContact O-N 2.93Å; Y72-Y108 VanDerWaalsContact CD2-O 3.3Å; Y72-Y108 WeakPolarHBondContact CD2-O 3.49Å; Y72-Y111 AromaticContact CD1-CD1 3.82Å; Y72-Y111 HydrophobicContact CD1-CD1 3.82Å; Y72-Y111 HydrophobicContact CD1-CD2 4.31Å; Y72-Y111 AromaticContact CD1-CE1 3.65Å; Y72-Y111 HydrophobicContact CD1-CE1 3.65Å; Y72-Y111 HydrophobicContact CD1-CE2 4.15Å; Y72-Y111 HydrophobicContact CD1-CG 4.14Å; Y72-Y111 AromaticContact CD1-CZ 3.8Å; Y72-Y111 HydrophobicContact CE1-CE2 4.36Å; Y72-Y111 HydrophobicContact CG-CE1 4.45Å; Y72-S114 WeakPolarHBondContact O-CB 3.09Å; Y72-S114 PolarHBondContact O-OG 2.86Å
73	N	97.8	Very high	95.4	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.011	34%	0.344	C	S	.	.			trans	-92.4	96.4	-175.5	-179.6	-8.2	0	0	0	110.3	L66 S67 Y71 F75 G76 V77 A106 Y108	L66-N73 CarbonylContact C-O 3.46Å; L66-N73 HydrophobicContact CD1-CB 3.94Å; L66-N73 HydrophobicContact CD2-CB 4.42Å; L66-N73 HydrophobicContact CG-CB 3.86Å; L66-N73 PolarHBondContact O-N 2.96Å; S67-N73 WeakPolarHBondContact CA-O 3.44Å; Y71-N73 PolarHBondContact O-N 3.2Å; N73-F75 PolarHBondContact OD1-N 3.43Å; N73-G76 PolarHBondContact OD1-N 3.41Å; N73-V77 PolarHBondContact ND2-N 2.66Å; N73-V77 PolarHBondContact ND2-O 3.38Å; N73-V77 PolarHBondContact OD1-N 2.98Å; N73-A106 WeakPolarHBondContact CB-O 3.37Å; N73-A106 PolarHBondContact ND2-N 3.48Å; N73-A106 PolarHBondContact ND2-O 3.39Å; N73-Y108 HydrophobicContact CB-CD2 3.85Å; N73-Y108 HydrophobicContact CB-CE2 3.76Å
74	L	97.8	Very high	95.7	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.016	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-26.6	-173.6	-64.2	171.4	0	0	0	113.4	F29 L33 A55 E58 T59 Y72 Y111 S114 F115	F29-L74 HydrophobicContact CZ-CD2 4.2Å; L33-L74 HydrophobicContact CD2-CD1 3.75Å; L33-L74 HydrophobicContact CD2-CD2 3.73Å; L33-L74 HydrophobicContact CD2-CG 4.41Å; A55-L74 HydrophobicContact CB-CB 4.34Å; A55-L74 HydrophobicContact CB-CD1 4.14Å; E58-L74 VanDerWaalsContact CB-O 3.3Å; E58-L74 WeakPolarHBondContact CB-O 3.3Å; T59-L74 HydrophobicContact CG2-CB 4.22Å; T59-L74 HydrophobicContact CG2-CD2 3.77Å; T59-L74 VanDerWaalsContact CG2-O 3.32Å; T59-L74 WeakPolarHBondContact CG2-O 3.22Å; Y72-L74 PolarHBondContact O-N 2.93Å; L74-Y111 HydrophobicContact CD1-CD1 3.9Å; L74-Y111 HydrophobicContact CD1-CG 4.43Å; L74-Y111 HydrophobicContact CD2-CD1 3.6Å; L74-Y111 HydrophobicContact CD2-CE1 3.61Å; L74-Y111 HydrophobicContact CG-CD1 3.79Å; L74-Y111 HydrophobicContact CG-CE1 4.24Å; L74-S114 PolarHBondContact N-OG 3.35Å; L74-S114 VanDerWaalsContact N-OG 3.13Å; L74-F115 HydrophobicContact CD1-CD1 4.27Å; L74-F115 HydrophobicContact CD1-CD2 3.99Å; L74-F115 HydrophobicContact CD1-CE1 3.95Å; L74-F115 HydrophobicContact CD1-CE2 3.63Å; L74-F115 HydrophobicContact CD1-CG 4.29Å; L74-F115 HydrophobicContact CD1-CZ 3.62Å
75	F	97.5	Very high	96	Very high	23 Å²	23	58.2 Å²	58.2	10%	0.101	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	13.5	-166.4	-52.6	-79.2	0	0	0	113.2	Q54 A55 E58 N73 V77 F115 H118	Q54-F75 HydrophobicContact CB-CE1 4.23Å; A55-F75 HydrophobicContact CB-CE1 4.18Å; A55-F75 HydrophobicContact CB-CZ 4.13Å; E58-F75 HydrophobicContact CB-CD1 4.45Å; E58-F75 HydrophobicContact CG-CD1 3.9Å; N73-F75 PolarHBondContact OD1-N 3.43Å; F75-V77 HydrophobicContact CB-CG2 4.12Å; F75-V77 PolarHBondContact O-N 2.74Å; F75-F115 AromaticContact CE2-CD1 3.87Å; F75-F115 HydrophobicContact CE2-CD1 3.87Å; F75-F115 HydrophobicContact CE2-CE1 4.21Å; F75-F115 AromaticContact CZ-CD1 3.65Å; F75-F115 HydrophobicContact CZ-CD1 3.65Å; F75-F115 AromaticContact CZ-CE1 3.64Å; F75-F115 HydrophobicContact CZ-CE1 3.64Å; F75-H118 AromaticContact CD1-CE1 3.83Å; F75-H118 AromaticContact CD1-ND1 3.77Å; F75-H118 HydrophobicContact CD2-CB 3.61Å; F75-H118 AromaticContact CD2-CG 3.87Å; F75-H118 HydrophobicContact CE1-CB 4.48Å; F75-H118 AromaticContact CE1-CD2 3.68Å; F75-H118 AromaticContact CE1-CE1 3.89Å; F75-H118 AromaticContact CE1-CG 3.83Å; F75-H118 AromaticContact CE1-ND1 3.99Å; F75-H118 AromaticContact CE1-NE2 3.72Å; F75-H118 HydrophobicContact CE2-CB 3.42Å; F75-H118 VanDerWaalsContact CE2-CB 3.42Å; F75-H118 AromaticContact CE2-CG 3.68Å; F75-H118 HydrophobicContact CG-CB 4.24Å; F75-H118 AromaticContact CG-ND1 3.84Å; F75-H118 HydrophobicContact CZ-CB 3.89Å; F75-H118 AromaticContact CZ-CD2 3.55Å; F75-H118 AromaticContact CZ-CG 3.65Å
76	G	95.6	Very high	96.2	Very high	34 Å²	34	53.4 Å²	53.4	35%	0.351	33%	0.326	S	S	.	.			trans	61.8	30.2	178.2	0	0	0	0	0	113.9	N73 K78 F105	N73-G76 PolarHBondContact OD1-N 3.41Å; G76-K78 PolarHBondContact O-N 3.18Å; G76-F105 WeakPolarHBondContact O-CD1 3.29Å; G76-F105 WeakPolarHBondContact O-CE1 3.48Å
77	V	96.1	Very high	96.3	Very high	51 Å²	51	56.6 Å²	56.6	31%	0.309	35%	0.349	S	S	.	.			trans	-65.8	126.6	-175.4	-178.8	0	0	0	0	109.7	N73 F75 F105 A106 Y108	N73-V77 PolarHBondContact ND2-N 2.66Å; N73-V77 PolarHBondContact ND2-O 3.38Å; N73-V77 PolarHBondContact OD1-N 2.98Å; F75-V77 HydrophobicContact CB-CG2 4.12Å; F75-V77 PolarHBondContact O-N 2.74Å; V77-F105 CarbonylContact O-C 3.49Å; V77-F105 WeakPolarHBondContact O-CA 3.38Å; V77-A106 HydrophobicContact CB-CB 4.28Å; V77-A106 HydrophobicContact CG1-CB 4.3Å; V77-A106 PolarHBondContact O-N 3.36Å; V77-Y108 WeakPolarHBondContact CB-OH 3.35Å
78	K	95.3	Very high	96.2	Very high	67 Å²	67	58.4 Å²	58.4	29%	0.291	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-84.9	146.4	173.2	-61.1	-177.2	178.6	-176.2	0	110.7	G76 Y80 E92 E103 P104 F105	G76-K78 PolarHBondContact O-N 3.18Å; K78-Y80 HydrophobicContact CB-CD2 4.32Å; K78-Y80 HydrophobicContact CB-CE2 3.61Å; K78-Y80 HydrophobicContact CD-CE2 4.14Å; K78-Y80 VanDerWaalsContact CD-OH 3.31Å; K78-Y80 WeakPolarHBondContact CD-OH 3.44Å; K78-E92 IonicContact NZ-OE1 3.4Å; K78-E92 PolarHBondContact NZ-OE1 3.32Å; K78-E103 HydrophobicContact CD-CB 4.37Å; K78-E103 HydrophobicContact CD-CG 4.37Å; K78-E103 IonicContact NZ-OE1 3.4Å; K78-E103 PolarHBondContact NZ-OE1 2.91Å; K78-P104 CarbonylContact C-O 3.54Å; K78-P104 VanDerWaalsContact CA-O 3.26Å; K78-P104 WeakPolarHBondContact CA-O 3.27Å; K78-F105 HydrophobicContact CG-CD1 4.23Å; K78-F105 HydrophobicContact CG-CE1 4.06Å
79	E	96.6	Very high	96.1	Very high	40 Å²	40	60.3 Å²	60.3	19%	0.187	37%	0.369	C	S	.	.			trans	-129.3	110.4	-176	175.1	47	-127.2	0	0	111.5	N81 G82 G83 P104 A106	E79-N81 VanDerWaalsContact OE1-C 3.31Å; E79-N81 VanDerWaalsContact OE1-CA 3.23Å; E79-N81 WeakPolarHBondContact OE1-CA 3.47Å; E79-N81 WeakPolarHBondContact OE1-CB 3.35Å; E79-N81 PolarHBondContact OE1-N 3.12Å; E79-G82 PolarHBondContact OE1-N 3.36Å; E79-G83 PolarHBondContact OE1-N 3.41Å; E79-P104 PolarHBondContact N-O 3.27Å; E79-P104 VanDerWaalsContact O-CB 3.31Å; E79-P104 WeakPolarHBondContact O-CB 3.34Å; E79-P104 WeakPolarHBondContact O-CG 3.46Å; E79-A106 HydrophobicContact CB-CB 4.01Å
80	Y	95.2	Very high	96	Very high	139 Å²	139	59.1 Å²	59.1	55%	0.545	36%	0.356	S	S	.	.			trans	-117.5	-2.3	-176.5	-61.5	-77.9	0	0	0	114.1	K78 E103 P104	K78-Y80 HydrophobicContact CB-CD2 4.32Å; K78-Y80 HydrophobicContact CB-CE2 3.61Å; K78-Y80 HydrophobicContact CD-CE2 4.14Å; K78-Y80 VanDerWaalsContact CD-OH 3.31Å; K78-Y80 WeakPolarHBondContact CD-OH 3.44Å; Y80-E103 PolarHBondContact OH-OE1 2.89Å; Y80-E103 PolarHBondContact OH-OE2 3.05Å; Y80-P104 HydrophobicContact CD1-CG 3.65Å; Y80-P104 HydrophobicContact CE1-CG 3.52Å; Y80-P104 HydrophobicContact CG-CG 4.43Å
81	N	95.2	Very high	95.6	Very high	152 Å²	152	61 Å²	61	81%	0.813	36%	0.357	S	S	*	.	S	Bend	trans	-99.2	13.9	-173.3	-57.2	-58.3	0	0	0	112.8	E79	E79-N81 VanDerWaalsContact OE1-C 3.31Å; E79-N81 VanDerWaalsContact OE1-CA 3.23Å; E79-N81 WeakPolarHBondContact OE1-CA 3.47Å; E79-N81 WeakPolarHBondContact OE1-CB 3.35Å; E79-N81 PolarHBondContact OE1-N 3.12Å
82	G	93.4	Very high	95	Very high	76 Å²	76	60.7 Å²	60.7	78%	0.784	36%	0.358	S	S	*	.	S	Bend	trans	84.2	12.1	177.9	0	0	0	0	0	114.6	E79	E79-G82 PolarHBondContact OE1-N 3.36Å
83	G	96.1	Very high	94.4	Very high	26 Å²	26	64.1 Å²	64.1	27%	0.268	37%	0.371	S	S	.	.			trans	-67.7	168.8	169	0	0	0	0	0	113	E79 S85	E79-G83 PolarHBondContact OE1-N 3.41Å; G83-S85 PolarHBondContact O-N 3.3Å; G83-S85 PolarHBondContact O-OG 3.36Å
84	P	98	Very high	93.8	Very high	100 Å²	100	68 Å²	68	65%	0.649	39%	0.391	S	S	*	.	S	Bend	trans	-54.3	125.8	173.5	-23.7	34.1	0	0	0	111.1	V107	P84-V107 HydrophobicContact CB-CB 4.28Å; P84-V107 PolarHBondContact O-N 3.4Å
85	S	97.8	Very high	93.2	Very high	62 Å²	62	76 Å²	76	43%	0.434	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	158.8	-176	56.2	0	0	0	0	112.8	G83 F105	G83-S85 PolarHBondContact O-N 3.3Å; G83-S85 PolarHBondContact O-OG 3.36Å; S85-F105 CarbonylContact C-O 3.57Å; S85-F105 WeakPolarHBondContact CA-O 3.19Å; S85-F105 VanDerWaalsContact CB-O 3.27Å; S85-F105 WeakPolarHBondContact CB-O 3.25Å
86	V	97.5	Very high	92.8	Very high	27 Å²	27	77 Å²	77	16%	0.164	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131	170.9	61.7	0	0	0	0	108.8	L66 Y71 M88 F105 V107	L66-V86 HydrophobicContact CD1-CG1 4.04Å; Y71-V86 HydrophobicContact CD1-CB 4.05Å; Y71-V86 HydrophobicContact CD1-CG1 3.74Å; Y71-V86 HydrophobicContact CD1-CG2 4.39Å; Y71-V86 HydrophobicContact CE1-CB 3.84Å; Y71-V86 HydrophobicContact CE1-CG1 3.91Å; Y71-V86 HydrophobicContact CE1-CG2 3.7Å; Y71-V86 HydrophobicContact CG-CG1 4.15Å; V86-M88 HydrophobicContact CG1-CG 4.06Å; V86-M88 HydrophobicContact CG1-SD 4.05Å; V86-M88 HydrophobicContact CG2-CG 4.02Å; V86-M88 PolarHBondContact O-N 3.43Å; V86-F105 HydrophobicContact CG1-CB 4.35Å; V86-F105 PolarHBondContact N-O 3.2Å; V86-F105 PolarHBondContact O-N 3.36Å; V86-V107 HydrophobicContact CB-CG2 3.89Å; V86-V107 HydrophobicContact CG1-CG2 3.81Å
87	S	96.7	Very high	92.6	Very high	82 Å²	82	82.1 Å²	82.1	57%	0.573	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	115.9	173.3	178.1	0	0	0	0	109.3	E103	S87-E103 WeakPolarHBondContact CA-O 3.21Å
88	M	94	Very high	92.2	Very high	39 Å²	39	87.9 Å²	87.9	19%	0.192	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.9	175.7	-63.2	-174.1	65.9	0	0	111.3	Q65 L66 Y71 V86 N102 E103 F105	Q65-M88 HydrophobicContact CB-CE 4.34Å; Q65-M88 HydrophobicContact CG-CE 4.18Å; L66-M88 HydrophobicContact CB-SD 4.23Å; L66-M88 HydrophobicContact CD1-SD 3.96Å; Y71-M88 HydrophobicContact CE2-SD 4.42Å; V86-M88 HydrophobicContact CG1-CG 4.06Å; V86-M88 HydrophobicContact CG1-SD 4.05Å; V86-M88 HydrophobicContact CG2-CG 4.02Å; V86-M88 PolarHBondContact O-N 3.43Å; M88-N102 WeakPolarHBondContact O-CA 3.45Å; M88-E103 PolarHBondContact N-O 3.02Å; M88-E103 PolarHBondContact O-N 3.1Å; M88-F105 HydrophobicContact CB-CD2 3.88Å; M88-F105 HydrophobicContact CB-CE2 4.1Å
89	S	91.7	Very high	92	Very high	76 Å²	76	87.5 Å²	87.5	53%	0.531	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	130.9	174.1	178.3	0	0	0	0	110.3	T100 M101 N102	S89-T100 WeakPolarHBondContact OG-CG2 3.34Å; S89-M101 CarbonylContact C-O 3.58Å; S89-M101 WeakPolarHBondContact CA-O 3.33Å; S89-N102 WeakPolarHBondContact CA-OD1 3.49Å; S89-N102 PolarHBondContact N-OD1 3.04Å
90	T	91	Very high	91.8	Very high	35 Å²	35	89.9 Å²	89.9	22%	0.215	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	158.9	171	-172.1	0	0	0	0	110.3	E92 T100 M101 E103 F105	T90-E92 HydrophobicContact CG2-CG 4.11Å; T90-E92 WeakPolarHBondContact CG2-OE1 3.16Å; T90-T100 WeakPolarHBondContact O-CA 3.46Å; T90-M101 HydrophobicContact CG2-CG 4.45Å; T90-M101 PolarHBondContact N-O 3.32Å; T90-M101 PolarHBondContact O-N 2.5Å; T90-E103 HydrophobicContact CG2-CB 4.01Å; T90-E103 HydrophobicContact CG2-CG 3.45Å; T90-E103 VanDerWaalsContact CG2-CG 3.45Å; T90-F105 HydrophobicContact CG2-CZ 4.26Å
91	Q	89	Confident	91.6	Very high	126 Å²	126	86.5 Å²	86.5	59%	0.589	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	120.1	173	-66.8	-173.6	-41.6	0	0	108.7	W98 V99	Q91-W98 HydrophobicContact CB-CE3 3.74Å; Q91-W98 HydrophobicContact CB-CZ3 3.93Å; Q91-V99 WeakPolarHBondContact CA-O 3.46Å
92	E	84.5	Confident	91.6	Very high	48 Å²	48	84.4 Å²	84.4	22%	0.224	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	143.8	175.7	-64.7	-64.9	162.2	0	0	109.2	K78 T90 L94 W98 V99 M101	K78-E92 IonicContact NZ-OE1 3.4Å; K78-E92 PolarHBondContact NZ-OE1 3.32Å; T90-E92 HydrophobicContact CG2-CG 4.11Å; T90-E92 WeakPolarHBondContact CG2-OE1 3.16Å; E92-L94 HydrophobicContact CB-CD1 4.3Å; E92-L94 HydrophobicContact CB-CG 4.12Å; E92-W98 CarbonylContact O-C 3.56Å; E92-W98 WeakPolarHBondContact O-CA 3.07Å; E92-V99 PolarHBondContact N-O 2.92Å; E92-V99 PolarHBondContact O-N 3.26Å; E92-M101 HydrophobicContact CB-SD 4.25Å; E92-M101 HydrophobicContact CG-CG 3.84Å; E92-M101 HydrophobicContact CG-SD 3.74Å
93	Y	86.2	Confident	91.7	Very high	139 Å²	139	81.6 Å²	81.6	55%	0.545	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	100.1	174.3	-166.7	-107.6	0	0	0	109.2	G96 Q97 W98	Y93-G96 VanDerWaalsContact CE2-O 3.32Å; Y93-G96 WeakPolarHBondContact CE2-O 3.46Å; Y93-G96 VanDerWaalsContact CZ-CA 3.45Å; Y93-G96 VanDerWaalsContact CZ-O 3.28Å; Y93-G96 VanDerWaalsContact OH-C 3.23Å; Y93-G96 VanDerWaalsContact OH-CA 3.29Å; Y93-G96 WeakPolarHBondContact OH-CA 3.19Å; Y93-G96 PolarHBondContact OH-O 2.86Å; Y93-Q97 WeakPolarHBondContact CA-O 3.41Å; Y93-W98 AromaticContact CD2-CD1 3.85Å; Y93-W98 AromaticContact CD2-CD2 3.86Å; Y93-W98 HydrophobicContact CD2-CD2 3.86Å; Y93-W98 AromaticContact CD2-CE2 3.85Å; Y93-W98 HydrophobicContact CD2-CE3 4.47Å; Y93-W98 AromaticContact CD2-CG 3.89Å; Y93-W98 HydrophobicContact CD2-CG 3.89Å; Y93-W98 HydrophobicContact CD2-CZ2 4.49Å; Y93-W98 AromaticContact CD2-NE1 3.8Å; Y93-W98 HydrophobicContact CE2-CG 4.48Å
94	L	83.8	Confident	91.8	Very high	84 Å²	84	81.9 Å²	81.9	44%	0.44	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133	-176	-60.8	174.2	0	0	0	109.2	E92 G96 Q97 V99 M101	E92-L94 HydrophobicContact CB-CD1 4.3Å; E92-L94 HydrophobicContact CB-CG 4.12Å; L94-G96 PolarHBondContact O-N 3.09Å; L94-Q97 PolarHBondContact N-O 3.1Å; L94-Q97 PolarHBondContact O-N 2.78Å; L94-Q97 VanDerWaalsContact O-O 3.04Å; L94-V99 HydrophobicContact CB-CG2 4.42Å; L94-M101 HydrophobicContact CD1-SD 4.39Å
95	D	85.8	Confident	91.8	Very high	171 Å²	171	78 Å²	78	91%	0.914	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	35.5	177	-58.9	-36.8	0	0	0	114.6	Q97	D95-Q97 VanDerWaalsContact C-N 3.34Å
96	G	90.4	Very high	91.8	Very high	44 Å²	44	75.2 Å²	75.2	45%	0.454	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	6.1	179.5	0	0	0	0	0	115	Y93 L94	Y93-G96 VanDerWaalsContact CE2-O 3.32Å; Y93-G96 WeakPolarHBondContact CE2-O 3.46Å; Y93-G96 VanDerWaalsContact CZ-CA 3.45Å; Y93-G96 VanDerWaalsContact CZ-O 3.28Å; Y93-G96 VanDerWaalsContact OH-C 3.23Å; Y93-G96 VanDerWaalsContact OH-CA 3.29Å; Y93-G96 WeakPolarHBondContact OH-CA 3.19Å; Y93-G96 PolarHBondContact OH-O 2.86Å; L94-G96 PolarHBondContact O-N 3.09Å
97	Q	89.4	Confident	91.8	Very high	141 Å²	141	75.8 Å²	75.8	66%	0.659	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	144.1	-179.7	-61.3	-168.9	-46.5	0	0	112	Y93 L94 D95 V99	Y93-Q97 WeakPolarHBondContact CA-O 3.41Å; L94-Q97 PolarHBondContact N-O 3.1Å; L94-Q97 PolarHBondContact O-N 2.78Å; L94-Q97 VanDerWaalsContact O-O 3.04Å; D95-Q97 VanDerWaalsContact C-N 3.34Å; Q97-V99 PolarHBondContact O-N 3.25Å
98	W	89.5	Confident	91.9	Very high	172 Å²	172	73.2 Å²	73.2	65%	0.652	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	121.8	168.4	-74	103.4	0	0	0	109.5	Q91 E92 Y93	Q91-W98 HydrophobicContact CB-CE3 3.74Å; Q91-W98 HydrophobicContact CB-CZ3 3.93Å; E92-W98 CarbonylContact O-C 3.56Å; E92-W98 WeakPolarHBondContact O-CA 3.07Å; Y93-W98 AromaticContact CD2-CD1 3.85Å; Y93-W98 AromaticContact CD2-CD2 3.86Å; Y93-W98 HydrophobicContact CD2-CD2 3.86Å; Y93-W98 AromaticContact CD2-CE2 3.85Å; Y93-W98 HydrophobicContact CD2-CE3 4.47Å; Y93-W98 AromaticContact CD2-CG 3.89Å; Y93-W98 HydrophobicContact CD2-CG 3.89Å; Y93-W98 HydrophobicContact CD2-CZ2 4.49Å; Y93-W98 AromaticContact CD2-NE1 3.8Å; Y93-W98 HydrophobicContact CE2-CG 4.48Å
99	V	90.5	Very high	92	Very high	59 Å²	59	77.5 Å²	77.5	36%	0.358	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.8	177.4	-176.1	0	0	0	0	108.2	Q91 E92 L94 Q97	Q91-V99 WeakPolarHBondContact CA-O 3.46Å; E92-V99 PolarHBondContact N-O 2.92Å; E92-V99 PolarHBondContact O-N 3.26Å; L94-V99 HydrophobicContact CB-CG2 4.42Å; Q97-V99 PolarHBondContact O-N 3.25Å
100	T	91.2	Very high	92.3	Very high	89 Å²	89	75.9 Å²	75.9	55%	0.546	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	122.4	172.3	-59	0	0	0	0	109	S89 T90	S89-T100 WeakPolarHBondContact OG-CG2 3.34Å; T90-T100 WeakPolarHBondContact O-CA 3.46Å
101	M	92.3	Very high	92.6	Very high	68 Å²	68	75.4 Å²	75.4	34%	0.335	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	153.3	176.9	62.4	-174.3	-70.5	0	0	111.9	S89 T90 E92 L94 E103	S89-M101 CarbonylContact C-O 3.58Å; S89-M101 WeakPolarHBondContact CA-O 3.33Å; T90-M101 HydrophobicContact CG2-CG 4.45Å; T90-M101 PolarHBondContact N-O 3.32Å; T90-M101 PolarHBondContact O-N 2.5Å; E92-M101 HydrophobicContact CB-SD 4.25Å; E92-M101 HydrophobicContact CG-CG 3.84Å; E92-M101 HydrophobicContact CG-SD 3.74Å; L94-M101 HydrophobicContact CD1-SD 4.39Å; M101-E103 HydrophobicContact CE-CG 4.45Å; M101-E103 WeakPolarHBondContact CE-OE1 3.38Å; M101-E103 HydrophobicContact CG-CG 4.28Å
102	N	94.2	Very high	93.1	Very high	108 Å²	108	70.1 Å²	70.1	58%	0.578	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	127.2	173.9	-75.9	-32.7	0	0	0	109.5	M88 S89	M88-N102 WeakPolarHBondContact O-CA 3.45Å; S89-N102 WeakPolarHBondContact CA-OD1 3.49Å; S89-N102 PolarHBondContact N-OD1 3.04Å
103	E	96.1	Very high	93.7	Very high	18 Å²	18	71.6 Å²	71.6	8%	0.084	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	144.2	177.2	-69.7	-77.1	-150.6	0	0	110.3	K78 Y80 S87 M88 T90 M101 F105	K78-E103 HydrophobicContact CD-CB 4.37Å; K78-E103 HydrophobicContact CD-CG 4.37Å; K78-E103 IonicContact NZ-OE1 3.4Å; K78-E103 PolarHBondContact NZ-OE1 2.91Å; Y80-E103 PolarHBondContact OH-OE1 2.89Å; Y80-E103 PolarHBondContact OH-OE2 3.05Å; S87-E103 WeakPolarHBondContact CA-O 3.21Å; M88-E103 PolarHBondContact N-O 3.02Å; M88-E103 PolarHBondContact O-N 3.1Å; T90-E103 HydrophobicContact CG2-CB 4.01Å; T90-E103 HydrophobicContact CG2-CG 3.45Å; T90-E103 VanDerWaalsContact CG2-CG 3.45Å; M101-E103 HydrophobicContact CE-CG 4.45Å; M101-E103 WeakPolarHBondContact CE-OE1 3.38Å; M101-E103 HydrophobicContact CG-CG 4.28Å; E103-F105 HydrophobicContact CB-CD2 4.4Å; E103-F105 HydrophobicContact CB-CE2 3.86Å; E103-F105 HydrophobicContact CB-CZ 4.18Å; E103-F105 WeakPolarHBondContact O-CD2 3.32Å; E103-F105 PolarHBondContact O-N 2.9Å
104	P	97.5	Very high	94.3	Very high	31 Å²	31	65 Å²	65	20%	0.201	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	109.3	173.1	32.1	-31	0	0	0	108.9	K78 E79 Y80	K78-P104 CarbonylContact C-O 3.54Å; K78-P104 VanDerWaalsContact CA-O 3.26Å; K78-P104 WeakPolarHBondContact CA-O 3.27Å; E79-P104 PolarHBondContact N-O 3.27Å; E79-P104 VanDerWaalsContact O-CB 3.31Å; E79-P104 WeakPolarHBondContact O-CB 3.34Å; E79-P104 WeakPolarHBondContact O-CG 3.46Å; Y80-P104 HydrophobicContact CD1-CG 3.65Å; Y80-P104 HydrophobicContact CE1-CG 3.52Å; Y80-P104 HydrophobicContact CG-CG 4.43Å
105	F	98.1	Very high	95	Very high	18 Å²	18	61 Å²	61	8%	0.079	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	138.8	172.7	-69	-82.9	0	0	0	110.3	L66 G76 V77 K78 S85 V86 M88 T90 E103	L66-F105 HydrophobicContact CD1-CB 3.62Å; L66-F105 HydrophobicContact CD1-CG 4.19Å; L66-F105 HydrophobicContact CD2-CB 3.78Å; L66-F105 HydrophobicContact CD2-CD1 3.4Å; L66-F105 HydrophobicContact CD2-CD2 4.22Å; L66-F105 HydrophobicContact CD2-CE1 3.97Å; L66-F105 HydrophobicContact CD2-CG 3.52Å; L66-F105 HydrophobicContact CG-CB 4.36Å; G76-F105 WeakPolarHBondContact O-CD1 3.29Å; G76-F105 WeakPolarHBondContact O-CE1 3.48Å; V77-F105 CarbonylContact O-C 3.49Å; V77-F105 WeakPolarHBondContact O-CA 3.38Å; K78-F105 HydrophobicContact CG-CD1 4.23Å; K78-F105 HydrophobicContact CG-CE1 4.06Å; S85-F105 CarbonylContact C-O 3.57Å; S85-F105 WeakPolarHBondContact CA-O 3.19Å; S85-F105 VanDerWaalsContact CB-O 3.27Å; S85-F105 WeakPolarHBondContact CB-O 3.25Å; V86-F105 HydrophobicContact CG1-CB 4.35Å; V86-F105 PolarHBondContact N-O 3.2Å; V86-F105 PolarHBondContact O-N 3.36Å; M88-F105 HydrophobicContact CB-CD2 3.88Å; M88-F105 HydrophobicContact CB-CE2 4.1Å; T90-F105 HydrophobicContact CG2-CZ 4.26Å; E103-F105 HydrophobicContact CB-CD2 4.4Å; E103-F105 HydrophobicContact CB-CE2 3.86Å; E103-F105 HydrophobicContact CB-CZ 4.18Å; E103-F105 WeakPolarHBondContact O-CD2 3.32Å; E103-F105 PolarHBondContact O-N 2.9Å
106	A	98.3	Very high	95.6	Very high	5 Å²	5	55.7 Å²	55.7	4%	0.041	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	142.9	175.9	0	0	0	0	0	111	N73 V77 E79 Y108	N73-A106 WeakPolarHBondContact CB-O 3.37Å; N73-A106 PolarHBondContact ND2-N 3.48Å; N73-A106 PolarHBondContact ND2-O 3.39Å; V77-A106 HydrophobicContact CB-CB 4.28Å; V77-A106 HydrophobicContact CG1-CB 4.3Å; V77-A106 PolarHBondContact O-N 3.36Å; E79-A106 HydrophobicContact CB-CB 4.01Å; A106-Y108 HydrophobicContact CB-CE1 4.35Å; A106-Y108 HydrophobicContact CB-CE2 3.96Å
107	V	98.5	Very high	95.9	Very high	38 Å²	38	55.2 Å²	55.2	23%	0.23	29%	0.286	C	S	.	.			trans	-114.1	128	171.8	170.4	0	0	0	0	108.4	Y71 P84 V86	Y71-V107 HydrophobicContact CD1-CG2 3.84Å; P84-V107 HydrophobicContact CB-CB 4.28Å; P84-V107 PolarHBondContact O-N 3.4Å; V86-V107 HydrophobicContact CB-CG2 3.89Å; V86-V107 HydrophobicContact CG1-CG2 3.81Å
108	Y	97.6	Very high	96.3	Very high	29 Å²	29	48.9 Å²	48.9	11%	0.114	26%	0.256	C	S	.	.			trans	-111.9	156.5	178.1	-54.7	-75.9	0	0	0	110.5	Y71 Y72 N73 V77 A106 S110 E113 A117	Y71-Y108 PolarHBondContact O-N 3.41Å; Y72-Y108 VanDerWaalsContact CD2-O 3.3Å; Y72-Y108 WeakPolarHBondContact CD2-O 3.49Å; N73-Y108 HydrophobicContact CB-CD2 3.85Å; N73-Y108 HydrophobicContact CB-CE2 3.76Å; V77-Y108 WeakPolarHBondContact CB-OH 3.35Å; A106-Y108 HydrophobicContact CB-CE1 4.35Å; A106-Y108 HydrophobicContact CB-CE2 3.96Å; Y108-S110 VanDerWaalsContact C-N 3.32Å; Y108-E113 HydrophobicContact CD1-CB 4.08Å; Y108-E113 HydrophobicContact CG-CB 4.37Å; Y108-A117 HydrophobicContact CE1-CB 3.86Å
109	N	96.8	Very high	96.7	Very high	129 Å²	129	40.7 Å²	40.7	69%	0.69	23%	0.225	S	C	*	.	S	Bend	trans	-79.9	-18	175.4	-57.6	-58.2	0	0	0	112.6	E113	N109-E113 WeakPolarHBondContact CB-OE2 3.5Å; N109-E113 PolarHBondContact N-OE2 2.94Å; N109-E113 PolarHBondContact ND2-OE1 3.23Å; N109-E113 PolarHBondContact ND2-OE2 3.1Å
110	S	97.4	Very high	96.9	Very high	41 Å²	41	42.6 Å²	42.6	29%	0.287	23%	0.233	S	C	.	.	S	Bend	trans	-160	164.6	-177.4	69	0	0	0	0	112.3	Y108 A112 E113 S114	Y108-S110 VanDerWaalsContact C-N 3.32Å; S110-A112 VanDerWaalsContact C-N 3.25Å; S110-A112 PolarHBondContact O-N 2.88Å; S110-A112 PolarHBondContact OG-N 3.46Å; S110-E113 PolarHBondContact O-N 3.4Å; S110-E113 PolarHBondContact OG-N 3.49Å; S110-S114 PolarHBondContact O-N 2.89Å
111	Y	98.2	Very high	97.1	Very high	26 Å²	26	42.3 Å²	42.3	10%	0.102	23%	0.228	C	C	.	.	H	α-helix	trans	-61.5	-32.5	170.6	-65.8	-47.3	0	0	0	113.1	F29 L33 S67 Y72 L74 E113 S114 F115	F29-Y111 HydrophobicContact CE2-CE1 4.34Å; F29-Y111 HydrophobicContact CE2-CE2 4.17Å; F29-Y111 AromaticContact CE2-CZ 3.77Å; L33-Y111 HydrophobicContact CD2-CD1 4.13Å; L33-Y111 HydrophobicContact CD2-CD2 4.1Å; L33-Y111 HydrophobicContact CD2-CE1 4.46Å; L33-Y111 HydrophobicContact CD2-CE2 4.45Å; L33-Y111 HydrophobicContact CD2-CG 3.95Å; S67-Y111 WeakPolarHBondContact O-CE1 3.42Å; S67-Y111 PolarHBondContact O-OH 3.28Å; Y72-Y111 AromaticContact CD1-CD1 3.82Å; Y72-Y111 HydrophobicContact CD1-CD1 3.82Å; Y72-Y111 HydrophobicContact CD1-CD2 4.31Å; Y72-Y111 AromaticContact CD1-CE1 3.65Å; Y72-Y111 HydrophobicContact CD1-CE1 3.65Å; Y72-Y111 HydrophobicContact CD1-CE2 4.15Å; Y72-Y111 HydrophobicContact CD1-CG 4.14Å; Y72-Y111 AromaticContact CD1-CZ 3.8Å; Y72-Y111 HydrophobicContact CE1-CE2 4.36Å; Y72-Y111 HydrophobicContact CG-CE1 4.45Å; L74-Y111 HydrophobicContact CD1-CD1 3.9Å; L74-Y111 HydrophobicContact CD1-CG 4.43Å; L74-Y111 HydrophobicContact CD2-CD1 3.6Å; L74-Y111 HydrophobicContact CD2-CE1 3.61Å; L74-Y111 HydrophobicContact CG-CD1 3.79Å; L74-Y111 HydrophobicContact CG-CE1 4.24Å; Y111-E113 VanDerWaalsContact C-N 3.31Å; Y111-E113 PolarHBondContact O-N 2.87Å; Y111-S114 PolarHBondContact O-N 3.39Å; Y111-F115 WeakPolarHBondContact O-CB 3.42Å; Y111-F115 WeakPolarHBondContact O-CD2 3.4Å; Y111-F115 PolarHBondContact O-N 3.17Å
112	A	97.7	Very high	97.3	Very high	15 Å²	15	39.2 Å²	39.2	12%	0.124	21%	0.213	C	C	.	.	H	α-helix	trans	-63	-38.1	176.8	0	0	0	0	0	111.7	V40 S110 F115 Q116	V40-A112 HydrophobicContact CG2-CB 4.49Å; V40-A112 WeakPolarHBondContact CG2-O 3.49Å; S110-A112 VanDerWaalsContact C-N 3.25Å; S110-A112 PolarHBondContact O-N 2.88Å; S110-A112 PolarHBondContact OG-N 3.46Å; A112-F115 PolarHBondContact O-N 2.91Å; A112-Q116 WeakPolarHBondContact O-CB 3.16Å; A112-Q116 PolarHBondContact O-N 2.93Å
113	E	97.9	Very high	97.2	Very high	79 Å²	79	36.1 Å²	36.1	37%	0.369	20%	0.198	S	C	.	.	H	α-helix	trans	-66.7	-43.3	173.8	-75.3	-177.5	-172.1	0	0	111.9	Y108 N109 S110 Y111 F115 Q116 A117	Y108-E113 HydrophobicContact CD1-CB 4.08Å; Y108-E113 HydrophobicContact CG-CB 4.37Å; N109-E113 WeakPolarHBondContact CB-OE2 3.5Å; N109-E113 PolarHBondContact N-OE2 2.94Å; N109-E113 PolarHBondContact ND2-OE1 3.23Å; N109-E113 PolarHBondContact ND2-OE2 3.1Å; S110-E113 PolarHBondContact O-N 3.4Å; S110-E113 PolarHBondContact OG-N 3.49Å; Y111-E113 VanDerWaalsContact C-N 3.31Å; Y111-E113 PolarHBondContact O-N 2.87Å; E113-F115 VanDerWaalsContact C-N 3.31Å; E113-F115 PolarHBondContact O-N 3.22Å; E113-Q116 PolarHBondContact O-N 3.35Å; E113-A117 PolarHBondContact O-N 3.43Å
114	S	98.3	Very high	97.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.1	-39.7	174.6	-177.1	0	0	0	0	112	Y72 L74 S110 Y111 H118	Y72-S114 WeakPolarHBondContact O-CB 3.09Å; Y72-S114 PolarHBondContact O-OG 2.86Å; L74-S114 PolarHBondContact N-OG 3.35Å; L74-S114 VanDerWaalsContact N-OG 3.13Å; S110-S114 PolarHBondContact O-N 2.89Å; Y111-S114 PolarHBondContact O-N 3.39Å; S114-H118 PolarHBondContact O-N 3.2Å; S114-H118 VanDerWaalsContact O-N 3.13Å
115	F	98.5	Very high	97	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.8	-37.8	174	-83.6	-54.6	0	0	0	112.4	L33 A37 V40 M51 A55 L74 F75 Y111 A112 E113 H118 A119	L33-F115 HydrophobicContact CB-CE2 4.17Å; L33-F115 HydrophobicContact CB-CZ 4.11Å; L33-F115 HydrophobicContact CD2-CE2 3.89Å; L33-F115 HydrophobicContact CD2-CZ 4.03Å; L33-F115 HydrophobicContact CG-CZ 4.5Å; L33-F115 WeakPolarHBondContact O-CE2 3.41Å; A37-F115 HydrophobicContact CB-CD2 4.31Å; A37-F115 HydrophobicContact CB-CE1 4.4Å; A37-F115 HydrophobicContact CB-CE2 4.07Å; A37-F115 HydrophobicContact CB-CZ 4.12Å; V40-F115 HydrophobicContact CB-CB 4.34Å; V40-F115 HydrophobicContact CG1-CB 4.47Å; V40-F115 HydrophobicContact CG2-CB 4Å; M51-F115 HydrophobicContact CB-CD1 4.03Å; M51-F115 HydrophobicContact CB-CE1 3.87Å; M51-F115 HydrophobicContact CE-CB 3.64Å; M51-F115 HydrophobicContact CE-CD1 3.57Å; M51-F115 HydrophobicContact CE-CG 3.87Å; M51-F115 WeakPolarHBondContact O-CE1 3.3Å; A55-F115 HydrophobicContact CB-CE1 3.92Å; A55-F115 HydrophobicContact CB-CZ 3.91Å; L74-F115 HydrophobicContact CD1-CD1 4.27Å; L74-F115 HydrophobicContact CD1-CD2 3.99Å; L74-F115 HydrophobicContact CD1-CE1 3.95Å; L74-F115 HydrophobicContact CD1-CE2 3.63Å; L74-F115 HydrophobicContact CD1-CG 4.29Å; L74-F115 HydrophobicContact CD1-CZ 3.62Å; F75-F115 AromaticContact CE2-CD1 3.87Å; F75-F115 HydrophobicContact CE2-CD1 3.87Å; F75-F115 HydrophobicContact CE2-CE1 4.21Å; F75-F115 AromaticContact CZ-CD1 3.65Å; F75-F115 HydrophobicContact CZ-CD1 3.65Å; F75-F115 AromaticContact CZ-CE1 3.64Å; F75-F115 HydrophobicContact CZ-CE1 3.64Å; Y111-F115 WeakPolarHBondContact O-CB 3.42Å; Y111-F115 WeakPolarHBondContact O-CD2 3.4Å; Y111-F115 PolarHBondContact O-N 3.17Å; A112-F115 PolarHBondContact O-N 2.91Å; E113-F115 VanDerWaalsContact C-N 3.31Å; E113-F115 PolarHBondContact O-N 3.22Å; F115-H118 PolarHBondContact O-N 3.19Å; F115-A119 WeakPolarHBondContact O-CB 3.15Å; F115-A119 PolarHBondContact O-N 2.52Å
116	Q	98.2	Very high	96.9	Very high	60 Å²	60	46.1 Å²	46.1	28%	0.28	26%	0.258	S	S	.	.	H	α-helix	trans	-67.5	-39.6	177.1	-175	60.2	66.5	0	0	111.3	V40 N44 A112 E113 H118 A119 N120	V40-Q116 HydrophobicContact CG1-CB 4.3Å; V40-Q116 HydrophobicContact CG2-CB 4.25Å; N44-Q116 PolarHBondContact ND2-NE2 3.2Å; N44-Q116 PolarHBondContact ND2-OE1 3.01Å; N44-Q116 VanDerWaalsContact ND2-OE1 3.1Å; N44-Q116 PolarHBondContact OD1-NE2 3.05Å; A112-Q116 WeakPolarHBondContact O-CB 3.16Å; A112-Q116 PolarHBondContact O-N 2.93Å; E113-Q116 PolarHBondContact O-N 3.35Å; Q116-H118 VanDerWaalsContact C-N 3.29Å; Q116-H118 PolarHBondContact O-N 2.92Å; Q116-A119 PolarHBondContact O-N 3.22Å; Q116-N120 PolarHBondContact NE2-OD1 2.89Å; Q116-N120 PolarHBondContact O-N 3.48Å; Q116-N120 PolarHBondContact O-ND2 3.38Å; Q116-N120 PolarHBondContact O-OD1 3.48Å
117	A	97.1	Very high	96.8	Very high	34 Å²	34	47.2 Å²	47.2	28%	0.281	26%	0.262	S	S	.	.	H	α-helix	trans	-59.1	-43.3	172.8	0	0	0	0	0	111.4	Y108 E113 N120	Y108-A117 HydrophobicContact CE1-CB 3.86Å; E113-A117 PolarHBondContact O-N 3.43Å; A117-N120 WeakPolarHBondContact O-CB 3.42Å; A117-N120 PolarHBondContact O-N 3.32Å
118	H	97.6	Very high	96.7	Very high	7 Å²	7	46.2 Å²	46.2	3%	0.032	26%	0.257	C	S	.	.	H	α-helix	trans	-67.2	-39.2	175.1	-172	63.9	0	0	0	113.4	Q54 F75 S114 F115 Q116 N120 L121 L122 Y149	Q54-H118 PolarHBondContact OE1-NE2 3.37Å; F75-H118 AromaticContact CD1-CE1 3.83Å; F75-H118 AromaticContact CD1-ND1 3.77Å; F75-H118 HydrophobicContact CD2-CB 3.61Å; F75-H118 AromaticContact CD2-CG 3.87Å; F75-H118 HydrophobicContact CE1-CB 4.48Å; F75-H118 AromaticContact CE1-CD2 3.68Å; F75-H118 AromaticContact CE1-CE1 3.89Å; F75-H118 AromaticContact CE1-CG 3.83Å; F75-H118 AromaticContact CE1-ND1 3.99Å; F75-H118 AromaticContact CE1-NE2 3.72Å; F75-H118 HydrophobicContact CE2-CB 3.42Å; F75-H118 VanDerWaalsContact CE2-CB 3.42Å; F75-H118 AromaticContact CE2-CG 3.68Å; F75-H118 HydrophobicContact CG-CB 4.24Å; F75-H118 AromaticContact CG-ND1 3.84Å; F75-H118 HydrophobicContact CZ-CB 3.89Å; F75-H118 AromaticContact CZ-CD2 3.55Å; F75-H118 AromaticContact CZ-CG 3.65Å; S114-H118 PolarHBondContact O-N 3.2Å; S114-H118 VanDerWaalsContact O-N 3.13Å; F115-H118 PolarHBondContact O-N 3.19Å; Q116-H118 VanDerWaalsContact C-N 3.29Å; Q116-H118 PolarHBondContact O-N 2.92Å; H118-N120 VanDerWaalsContact C-N 3.28Å; H118-N120 PolarHBondContact O-N 2.95Å; H118-L121 WeakPolarHBondContact O-CB 3.48Å; H118-L121 PolarHBondContact O-N 3.36Å; H118-L121 VanDerWaalsContact O-N 3.1Å; H118-L122 WeakPolarHBondContact NE2-CD1 3.39Å; H118-L122 PolarHBondContact O-N 3.05Å; H118-L122 VanDerWaalsContact O-N 3.08Å; H118-Y149 AromaticContact CE1-CE2 3.41Å; H118-Y149 VanDerWaalsContact CE1-CE2 3.41Å; H118-Y149 WeakPolarHBondContact CE1-CE2 3.25Å; H118-Y149 AromaticContact CE1-CZ 3.59Å; H118-Y149 PolarHBondContact CE1-OH 2.9Å; H118-Y149 VanDerWaalsContact CE1-OH 3.27Å
119	A	98	Very high	96.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63	-35.7	175.9	0	0	0	0	0	111.9	V40 N44 L46 M51 F115 Q116 L121 L122 T123	V40-A119 HydrophobicContact CG1-CB 3.63Å; N44-A119 HydrophobicContact CB-CB 3.99Å; L46-A119 HydrophobicContact CD1-CB 3.78Å; M51-A119 HydrophobicContact CE-CB 4.41Å; F115-A119 WeakPolarHBondContact O-CB 3.15Å; F115-A119 PolarHBondContact O-N 2.52Å; Q116-A119 PolarHBondContact O-N 3.22Å; A119-L121 PolarHBondContact O-N 3.01Å; A119-L122 PolarHBondContact O-N 3.33Å; A119-T123 WeakPolarHBondContact O-CB 3.42Å; A119-T123 VanDerWaalsContact O-CG2 3.28Å; A119-T123 WeakPolarHBondContact O-CG2 3.31Å; A119-T123 PolarHBondContact O-N 3.35Å; A119-T123 PolarHBondContact O-OG1 3.46Å
120	N	96.4	Very high	96.3	Very high	99 Å²	99	39.6 Å²	39.6	53%	0.529	23%	0.228	S	C	.	.	H	α-helix	trans	-61.7	-31.9	174.5	-64.2	-17.2	0	0	0	112.3	Q116 A117 H118 T123	Q116-N120 PolarHBondContact NE2-OD1 2.89Å; Q116-N120 PolarHBondContact O-N 3.48Å; Q116-N120 PolarHBondContact O-ND2 3.38Å; Q116-N120 PolarHBondContact O-OD1 3.48Å; A117-N120 WeakPolarHBondContact O-CB 3.42Å; A117-N120 PolarHBondContact O-N 3.32Å; H118-N120 VanDerWaalsContact C-N 3.28Å; H118-N120 PolarHBondContact O-N 2.95Å; N120-T123 PolarHBondContact O-OG1 3.12Å
121	L	95	Very high	96.2	Very high	84 Å²	84	40.6 Å²	40.6	44%	0.44	23%	0.226	S	C	.	.	H	α-helix	trans	-69	-54.3	170.9	176.1	68.2	0	0	0	110.5	H118 A119 T123 G124 Y127 Y149	H118-L121 WeakPolarHBondContact O-CB 3.48Å; H118-L121 PolarHBondContact O-N 3.36Å; H118-L121 VanDerWaalsContact O-N 3.1Å; A119-L121 PolarHBondContact O-N 3.01Å; L121-T123 VanDerWaalsContact C-N 3.27Å; L121-T123 PolarHBondContact O-N 3.45Å; L121-G124 PolarHBondContact O-N 3.11Å; L121-G124 VanDerWaalsContact O-N 3.11Å; L121-Y127 HydrophobicContact CD1-CD2 4.43Å; L121-Y127 HydrophobicContact CD1-CE2 3.7Å; L121-Y127 HydrophobicContact CD2-CE2 4.38Å; L121-Y127 HydrophobicContact CG-CD2 4.27Å; L121-Y127 HydrophobicContact CG-CE2 3.74Å; L121-Y127 VanDerWaalsContact O-CD2 3.29Å; L121-Y127 WeakPolarHBondContact O-CD2 3.34Å; L121-Y149 HydrophobicContact CD2-CE2 4.03Å
122	L	95.3	Very high	96	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-70.3	-18.1	-172.8	-65.1	-171.7	0	0	0	114.7	L46 H118 A119 G124 Y127 L145 Y149	L46-L122 HydrophobicContact CD1-CB 4.03Å; L46-L122 HydrophobicContact CD1-CD1 4.4Å; L46-L122 HydrophobicContact CD2-CB 4.06Å; H118-L122 WeakPolarHBondContact NE2-CD1 3.39Å; H118-L122 PolarHBondContact O-N 3.05Å; H118-L122 VanDerWaalsContact O-N 3.08Å; A119-L122 PolarHBondContact O-N 3.33Å; L122-G124 VanDerWaalsContact C-N 3.31Å; L122-Y127 HydrophobicContact CD2-CD1 4.13Å; L122-Y127 HydrophobicContact CD2-CD2 4.26Å; L122-Y127 HydrophobicContact CD2-CE1 4.49Å; L122-Y127 HydrophobicContact CD2-CG 4Å; L122-Y127 VanDerWaalsContact O-CB 3.22Å; L122-Y127 WeakPolarHBondContact O-CB 3.48Å; L122-L145 HydrophobicContact CD2-CD2 3.89Å; L122-Y149 HydrophobicContact CD2-CD2 4.08Å; L122-Y149 HydrophobicContact CD2-CE2 4.44Å
123	T	93	Very high	95.8	Very high	44 Å²	44	45.2 Å²	45.2	27%	0.27	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-10.1	174.1	49.6	0	0	0	0	113.2	N44 A119 N120 L121	N44-T123 HydrophobicContact CB-CG2 3.96Å; N44-T123 WeakPolarHBondContact O-CG2 3.42Å; A119-T123 WeakPolarHBondContact O-CB 3.42Å; A119-T123 VanDerWaalsContact O-CG2 3.28Å; A119-T123 WeakPolarHBondContact O-CG2 3.31Å; A119-T123 PolarHBondContact O-N 3.35Å; A119-T123 PolarHBondContact O-OG1 3.46Å; N120-T123 PolarHBondContact O-OG1 3.12Å; L121-T123 VanDerWaalsContact C-N 3.27Å; L121-T123 PolarHBondContact O-N 3.45Å
124	G	94.4	Very high	95.4	Very high	30 Å²	30	46.6 Å²	46.6	31%	0.309	26%	0.259	S	S	.	.	S	Bend	trans	-62.1	153.9	174.1	0	0	0	0	0	112.7	L121 L122 Y126 Y127 A128	L121-G124 PolarHBondContact O-N 3.11Å; L121-G124 VanDerWaalsContact O-N 3.11Å; L122-G124 VanDerWaalsContact C-N 3.31Å; G124-Y126 PolarHBondContact O-N 3.38Å; G124-Y126 VanDerWaalsContact O-N 3.11Å; G124-Y127 PolarHBondContact O-N 2.81Å; G124-A128 PolarHBondContact O-N 3.42Å
125	S	94.9	Very high	94.8	Very high	114 Å²	114	47.4 Å²	47.4	80%	0.797	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-56.1	-33.1	-175.3	55.8	0	0	0	0	113.9	Y127 A128	S125-Y127 PolarHBondContact O-N 2.79Å; S125-A128 VanDerWaalsContact O-CB 3.31Å; S125-A128 WeakPolarHBondContact O-CB 3.4Å; S125-A128 PolarHBondContact O-N 3.48Å
126	Y	96	Very high	94.1	Very high	133 Å²	133	51.9 Å²	51.9	52%	0.522	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-59.5	-35.5	176.7	-173.9	-108.3	0	0	0	112.7	G124 Y144 R148	G124-Y126 PolarHBondContact O-N 3.38Å; G124-Y126 VanDerWaalsContact O-N 3.11Å; Y126-Y144 PolarHBondContact O-OH 3.23Å; Y126-Y144 VanDerWaalsContact O-OH 3.12Å; Y126-R148 HydrophobicContact CE1-CB 3.89Å; Y126-R148 HydrophobicContact CE1-CG 4.24Å
127	Y	96.3	Very high	93.7	Very high	28 Å²	28	49.5 Å²	49.5	11%	0.11	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-100.1	10.3	-179.1	-63.2	-69	0	0	0	113.4	L121 L122 G124 S125 G129 A130 L145 R148 Y149	L121-Y127 HydrophobicContact CD1-CD2 4.43Å; L121-Y127 HydrophobicContact CD1-CE2 3.7Å; L121-Y127 HydrophobicContact CD2-CE2 4.38Å; L121-Y127 HydrophobicContact CG-CD2 4.27Å; L121-Y127 HydrophobicContact CG-CE2 3.74Å; L121-Y127 VanDerWaalsContact O-CD2 3.29Å; L121-Y127 WeakPolarHBondContact O-CD2 3.34Å; L122-Y127 HydrophobicContact CD2-CD1 4.13Å; L122-Y127 HydrophobicContact CD2-CD2 4.26Å; L122-Y127 HydrophobicContact CD2-CE1 4.49Å; L122-Y127 HydrophobicContact CD2-CG 4Å; L122-Y127 VanDerWaalsContact O-CB 3.22Å; L122-Y127 WeakPolarHBondContact O-CB 3.48Å; G124-Y127 PolarHBondContact O-N 2.81Å; S125-Y127 PolarHBondContact O-N 2.79Å; Y127-G129 PolarHBondContact O-N 3.03Å; Y127-A130 WeakPolarHBondContact O-CB 3.27Å; Y127-A130 PolarHBondContact O-N 3.47Å; Y127-L145 HydrophobicContact CD1-CD2 3.97Å; Y127-L145 HydrophobicContact CE1-CD2 4.43Å; Y127-R148 HydrophobicContact CE1-CB 4.07Å; Y127-R148 PolarHBondContact OH-O 3.21Å; Y127-Y149 HydrophobicContact CE1-CD2 4.42Å
128	A	95	Very high	93.6	Very high	17 Å²	17	49.2 Å²	49.2	14%	0.14	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-55.7	-31.6	-173.8	0	0	0	0	0	114	G124 S125 A130 R131 H134	G124-A128 PolarHBondContact O-N 3.42Å; S125-A128 VanDerWaalsContact O-CB 3.31Å; S125-A128 WeakPolarHBondContact O-CB 3.4Å; S125-A128 PolarHBondContact O-N 3.48Å; A128-A130 PolarHBondContact O-N 3.22Å; A128-R131 WeakPolarHBondContact O-CB 3.24Å; A128-R131 WeakPolarHBondContact O-CG 3.39Å; A128-R131 PolarHBondContact O-N 3.36Å; A128-R131 PolarHBondContact O-NE 3.32Å; A128-H134 WeakPolarHBondContact O-CB 3.27Å; A128-H134 PolarHBondContact O-ND1 2.75Å; A128-H134 VanDerWaalsContact O-ND1 3.12Å
129	G	92.2	Very high	93.4	Very high	15 Å²	15	49.5 Å²	49.5	16%	0.155	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-75	-2.8	176.7	0	0	0	0	0	115.4	Y127 T135 Y144	Y127-G129 PolarHBondContact O-N 3.03Å; G129-T135 WeakPolarHBondContact O-CG2 3.47Å; G129-Y144 VanDerWaalsContact C-CG 3.44Å
130	A	95	Very high	93.1	Very high	4 Å²	4	51.6 Å²	51.6	3%	0.033	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-95.9	-3.4	170.8	0	0	0	0	0	113.1	Y127 A128 A141 Y144 L145	Y127-A130 WeakPolarHBondContact O-CB 3.27Å; Y127-A130 PolarHBondContact O-N 3.47Å; A128-A130 PolarHBondContact O-N 3.22Å; A130-A141 HydrophobicContact CB-CB 4.36Å; A130-A141 WeakPolarHBondContact O-CB 3.33Å; A130-Y144 HydrophobicContact CB-CD1 4.07Å; A130-L145 HydrophobicContact CB-CD1 4.38Å; A130-L145 HydrophobicContact CB-CD2 3.82Å; A130-L145 HydrophobicContact CB-CG 3.83Å
131	R	95.5	Very high	93	Very high	62 Å²	62	46.9 Å²	46.9	23%	0.234	25%	0.251	C	S	.	.	S	Bend	trans	-79.1	145.5	-178.8	-62.3	-173.1	-60.8	-179	7.8	111.2	D45 L46 A128 S133 H134 T135	D45-R131 CarbonylContact O-C 3.59Å; D45-R131 VanDerWaalsContact O-CA 3.3Å; D45-R131 WeakPolarHBondContact O-CA 3.36Å; D45-R131 WeakPolarHBondContact O-CB 3.34Å; D45-R131 WeakPolarHBondContact OD2-CB 3.38Å; L46-R131 HydrophobicContact CD2-CG 4.37Å; A128-R131 WeakPolarHBondContact O-CB 3.24Å; A128-R131 WeakPolarHBondContact O-CG 3.39Å; A128-R131 PolarHBondContact O-N 3.36Å; A128-R131 PolarHBondContact O-NE 3.32Å; R131-S133 VanDerWaalsContact C-N 3.26Å; R131-S133 PolarHBondContact O-N 3.18Å; R131-H134 PolarHBondContact NH2-CE1 3.45Å; R131-H134 PolarHBondContact NH2-NE2 3.27Å; R131-H134 PolarHBondContact O-N 3.3Å; R131-T135 PolarHBondContact O-N 3.38Å; R131-T135 PolarHBondContact O-OG1 3.3Å
132	K	93.4	Very high	93	Very high	59 Å²	59	42.9 Å²	42.9	26%	0.257	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-52.8	-43.2	179.8	-81	-174.1	148.1	174.5	0	112.4	D45 L46 Y47 H134 T135 D172	D45-K132 PolarHBondContact O-N 3.42Å; D45-K132 WeakPolarHBondContact OD1-CB 3.43Å; L46-K132 WeakPolarHBondContact O-CD 3.22Å; L46-K132 WeakPolarHBondContact O-CE 3.33Å; Y47-K132 HydrophobicContact CD1-CD 4.29Å; Y47-K132 HydrophobicContact CD1-CG 3.92Å; Y47-K132 HydrophobicContact CD2-CG 3.6Å; Y47-K132 HydrophobicContact CE1-CD 4.35Å; Y47-K132 HydrophobicContact CE1-CG 3.82Å; Y47-K132 HydrophobicContact CE2-CB 4.19Å; Y47-K132 HydrophobicContact CE2-CG 3.5Å; Y47-K132 HydrophobicContact CG-CD 4.44Å; Y47-K132 HydrophobicContact CG-CG 3.8Å; K132-H134 PolarHBondContact O-N 2.91Å; K132-T135 PolarHBondContact O-N 2.89Å; K132-T135 PolarHBondContact O-OG1 2.75Å; K132-D172 PolarHBondContact NZ-O 2.77Å; K132-D172 VanDerWaalsContact NZ-O 3.08Å
133	S	93.1	Very high	92.9	Very high	79 Å²	79	46.8 Å²	46.8	55%	0.552	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-66.6	-14.1	-180	66.8	0	0	0	0	114.6	D45 R131	D45-S133 WeakPolarHBondContact OD1-CB 3.47Å; D45-S133 PolarHBondContact OD1-N 3.35Å; D45-S133 VanDerWaalsContact OD2-CB 3.22Å; D45-S133 WeakPolarHBondContact OD2-CB 3.36Å; D45-S133 PolarHBondContact OD2-N 3.36Å; D45-S133 PolarHBondContact OD2-OG 2.62Å; R131-S133 VanDerWaalsContact C-N 3.26Å; R131-S133 PolarHBondContact O-N 3.18Å
134	H	90	Very high	93	Very high	107 Å²	107	48 Å²	48	50%	0.495	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-109.6	2.9	-177.9	-75.6	-147.9	0	0	0	112.9	A128 R131 K132	A128-H134 WeakPolarHBondContact O-CB 3.27Å; A128-H134 PolarHBondContact O-ND1 2.75Å; A128-H134 VanDerWaalsContact O-ND1 3.12Å; R131-H134 PolarHBondContact NH2-CE1 3.45Å; R131-H134 PolarHBondContact NH2-NE2 3.27Å; R131-H134 PolarHBondContact O-N 3.3Å; K132-H134 PolarHBondContact O-N 2.91Å
135	T	86.8	Confident	93.1	Very high	17 Å²	17	46.6 Å²	46.6	10%	0.104	24%	0.236	C	C	.	.			trans	-135.6	157.1	-174.2	54.3	0	0	0	0	110.3	Y47 G129 R131 K132 D140 A141	Y47-T135 VanDerWaalsContact CE2-OG1 3.27Å; Y47-T135 WeakPolarHBondContact CE2-OG1 3.49Å; Y47-T135 PolarHBondContact OH-OG1 2.87Å; Y47-T135 VanDerWaalsContact OH-OG1 3.05Å; G129-T135 WeakPolarHBondContact O-CG2 3.47Å; R131-T135 PolarHBondContact O-N 3.38Å; R131-T135 PolarHBondContact O-OG1 3.3Å; K132-T135 PolarHBondContact O-N 2.89Å; K132-T135 PolarHBondContact O-OG1 2.75Å; T135-D140 HydrophobicContact CG2-CB 3.86Å; T135-A141 HydrophobicContact CG2-CB 4.27Å
136	Y	82.9	Confident	93	Very high	94 Å²	94	42.6 Å²	42.6	37%	0.369	21%	0.207	S	C	.	.	S	Bend	trans	-91.7	-28.8	172.6	-64.4	-74.4	0	0	0	111.5	D140 T240 I241 M242 P243	Y136-D140 WeakPolarHBondContact CA-OD2 3.21Å; Y136-D140 WeakPolarHBondContact CB-OD2 3.42Å; Y136-D140 PolarHBondContact N-OD2 3.33Å; Y136-T240 HydrophobicContact CD2-CG2 4.2Å; Y136-T240 HydrophobicContact CE2-CG2 3.94Å; Y136-I241 WeakPolarHBondContact CE2-O 3.41Å; Y136-M242 HydrophobicContact CE2-CE 4.03Å; Y136-M242 HydrophobicContact CE2-SD 3.99Å; Y136-M242 PolarHBondContact OH-SD 2.95Å; Y136-P243 HydrophobicContact CE1-CG 4.48Å
137	S	89.7	Confident	92.6	Very high	10 Å²	10	38.9 Å²	38.9	7%	0.07	21%	0.208	C	C	.	.	S	Bend	trans	-143.7	169.2	-177.2	78.8	0	0	0	0	113.6	Y47 Q139 D140 A141	Y47-S137 VanDerWaalsContact CZ-C 3.48Å; Y47-S137 WeakPolarHBondContact OH-CA 3.45Å; Y47-S137 PolarHBondContact OH-N 3.04Å; Y47-S137 PolarHBondContact OH-O 2.87Å; S137-Q139 PolarHBondContact O-N 3.2Å; S137-Q139 WeakPolarHBondContact OG-CB 3.42Å; S137-Q139 PolarHBondContact OG-N 2.94Å; S137-Q139 PolarHBondContact OG-OE1 3.17Å; S137-D140 PolarHBondContact N-OD2 3.26Å; S137-D140 PolarHBondContact O-N 2.83Å; S137-D140 PolarHBondContact OG-N 3.14Å; S137-A141 PolarHBondContact O-N 3.22Å
138	Y	94.6	Very high	92.6	Very high	28 Å²	28	42.2 Å²	42.2	11%	0.11	22%	0.221	C	C	.	.	H	α-helix	trans	-65.6	-25.3	171.8	70.3	-97	0	0	0	111.7	I50 A141 A142 I160 I163 Q164 T169	I50-Y138 WeakPolarHBondContact CD1-O 3.16Å; Y138-A141 PolarHBondContact O-N 2.94Å; Y138-A142 WeakPolarHBondContact O-CB 3.41Å; Y138-A142 PolarHBondContact O-N 2.85Å; Y138-I160 HydrophobicContact CE2-CB 4.49Å; Y138-I160 HydrophobicContact CE2-CG1 4.21Å; Y138-I160 HydrophobicContact CE2-CG2 4.3Å; Y138-I163 HydrophobicContact CD1-CG2 4.25Å; Y138-I163 HydrophobicContact CD2-CB 4.25Å; Y138-I163 HydrophobicContact CD2-CD1 3.39Å; Y138-I163 HydrophobicContact CD2-CG1 4.39Å; Y138-I163 HydrophobicContact CD2-CG2 3.87Å; Y138-I163 HydrophobicContact CE1-CG2 3.94Å; Y138-I163 HydrophobicContact CE2-CB 3.88Å; Y138-I163 HydrophobicContact CE2-CD1 3.89Å; Y138-I163 HydrophobicContact CE2-CG1 4.48Å; Y138-I163 HydrophobicContact CE2-CG2 3.51Å; Y138-I163 HydrophobicContact CG-CD1 4.06Å; Y138-I163 HydrophobicContact CG-CG2 4.23Å; Y138-Q164 WeakPolarHBondContact OH-CG 3.44Å; Y138-Q164 PolarHBondContact OH-NE2 3.48Å; Y138-T169 HydrophobicContact CD1-CG2 3.56Å; Y138-T169 HydrophobicContact CE1-CG2 3.39Å
139	Q	94.4	Very high	92.5	Very high	14 Å²	14	43.9 Å²	43.9	7%	0.065	22%	0.224	C	C	.	.	H	α-helix	trans	-65.2	-43.5	176.3	-64.8	90.7	-31.6	0	0	110.8	S137 A141 A142 I143 I160	S137-Q139 PolarHBondContact O-N 3.2Å; S137-Q139 WeakPolarHBondContact OG-CB 3.42Å; S137-Q139 PolarHBondContact OG-N 2.94Å; S137-Q139 PolarHBondContact OG-OE1 3.17Å; Q139-A141 VanDerWaalsContact C-N 3.29Å; Q139-A141 PolarHBondContact O-N 3.23Å; Q139-A142 PolarHBondContact O-N 3.39Å; Q139-I143 VanDerWaalsContact O-CG1 3.31Å; Q139-I143 WeakPolarHBondContact O-CG1 3.25Å; Q139-I143 PolarHBondContact O-N 2.8Å; Q139-I160 HydrophobicContact CB-CD1 3.96Å; Q139-I160 HydrophobicContact CB-CG1 4.43Å; Q139-I160 HydrophobicContact CG-CD1 3.87Å; Q139-I160 HydrophobicContact CG-CG1 4.04Å; Q139-I160 HydrophobicContact CG-CG2 4.33Å
140	D	90.6	Very high	92.4	Very high	43 Å²	43	44.3 Å²	44.3	23%	0.23	23%	0.226	C	C	.	.	H	α-helix	trans	-59.8	-43.9	176.2	-54.4	-28.1	0	0	0	110.5	T135 Y136 S137 I143 Y144	T135-D140 HydrophobicContact CG2-CB 3.86Å; Y136-D140 WeakPolarHBondContact CA-OD2 3.21Å; Y136-D140 WeakPolarHBondContact CB-OD2 3.42Å; Y136-D140 PolarHBondContact N-OD2 3.33Å; S137-D140 PolarHBondContact N-OD2 3.26Å; S137-D140 PolarHBondContact O-N 2.83Å; S137-D140 PolarHBondContact OG-N 3.14Å; D140-I143 PolarHBondContact O-N 3.03Å; D140-Y144 WeakPolarHBondContact O-CB 3.42Å; D140-Y144 PolarHBondContact O-N 2.94Å
141	A	95.3	Very high	92.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-44.4	176.1	0	0	0	0	0	112.1	Y47 I50 A130 T135 S137 Y138 Q139 I143 Y144 L145	Y47-A141 HydrophobicContact CD2-CB 4.04Å; Y47-A141 HydrophobicContact CE2-CB 4.08Å; I50-A141 HydrophobicContact CG1-CB 4.37Å; A130-A141 HydrophobicContact CB-CB 4.36Å; A130-A141 WeakPolarHBondContact O-CB 3.33Å; T135-A141 HydrophobicContact CG2-CB 4.27Å; S137-A141 PolarHBondContact O-N 3.22Å; Y138-A141 PolarHBondContact O-N 2.94Å; Q139-A141 VanDerWaalsContact C-N 3.29Å; Q139-A141 PolarHBondContact O-N 3.23Å; A141-I143 PolarHBondContact O-N 3.46Å; A141-Y144 PolarHBondContact O-N 3.19Å; A141-L145 VanDerWaalsContact O-CG 3.25Å; A141-L145 WeakPolarHBondContact O-CG 3.42Å; A141-L145 PolarHBondContact O-N 3.37Å
142	A	95.7	Very high	91.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-41.3	177.5	0	0	0	0	0	112.3	I50 Y138 Q139 L145 T146 A156 L159 I160	I50-A142 HydrophobicContact CD1-CB 3.85Å; Y138-A142 WeakPolarHBondContact O-CB 3.41Å; Y138-A142 PolarHBondContact O-N 2.85Å; Q139-A142 PolarHBondContact O-N 3.39Å; A142-L145 PolarHBondContact O-N 3.19Å; A142-T146 PolarHBondContact O-N 3.4Å; A142-T146 PolarHBondContact O-OG1 3.23Å; A142-A156 HydrophobicContact CB-CB 4.18Å; A142-A156 WeakPolarHBondContact O-CB 3.48Å; A142-L159 HydrophobicContact CB-CB 4.22Å; A142-L159 HydrophobicContact CB-CD1 4.26Å; A142-I160 HydrophobicContact CB-CD1 4.23Å; A142-I160 HydrophobicContact CB-CG1 3.94Å
143	I	93.2	Very high	91.7	Very high	85 Å²	85	53.2 Å²	53.2	44%	0.436	29%	0.292	S	S	.	.	H	α-helix	trans	-62	-48	174.4	-69.6	164.8	0	0	0	109.8	Q139 D140 A141 L145 T146 A156	Q139-I143 VanDerWaalsContact O-CG1 3.31Å; Q139-I143 WeakPolarHBondContact O-CG1 3.25Å; Q139-I143 PolarHBondContact O-N 2.8Å; D140-I143 PolarHBondContact O-N 3.03Å; A141-I143 PolarHBondContact O-N 3.46Å; I143-L145 VanDerWaalsContact C-N 3.29Å; I143-L145 PolarHBondContact O-N 3.38Å; I143-T146 WeakPolarHBondContact O-CB 3.46Å; I143-T146 PolarHBondContact O-N 3.41Å; I143-A156 HydrophobicContact CG1-CB 4.19Å
144	Y	94.2	Very high	91.5	Very high	69 Å²	69	51 Å²	51	27%	0.271	28%	0.282	S	S	.	.	H	α-helix	trans	-60.1	-39.5	179.7	-169.3	-87.6	0	0	0	112.4	Y126 G129 A130 D140 A141 T146 R148	Y126-Y144 PolarHBondContact O-OH 3.23Å; Y126-Y144 VanDerWaalsContact O-OH 3.12Å; G129-Y144 VanDerWaalsContact C-CG 3.44Å; A130-Y144 HydrophobicContact CB-CD1 4.07Å; D140-Y144 WeakPolarHBondContact O-CB 3.42Å; D140-Y144 PolarHBondContact O-N 2.94Å; A141-Y144 PolarHBondContact O-N 3.19Å; Y144-T146 VanDerWaalsContact C-N 3.25Å; Y144-T146 PolarHBondContact O-N 3.09Å; Y144-R148 VanDerWaalsContact O-CD 3.28Å; Y144-R148 WeakPolarHBondContact O-CD 3.37Å; Y144-R148 PolarHBondContact O-NH1 2.82Å
145	L	96.1	Very high	91.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-66.4	-24.2	176.8	-70.2	169.1	0	0	0	113.3	I50 L122 Y127 A130 A141 A142 I143 G147 R148 Y149 Y155 L159	I50-L145 HydrophobicContact CG2-CD1 3.71Å; L122-L145 HydrophobicContact CD2-CD2 3.89Å; Y127-L145 HydrophobicContact CD1-CD2 3.97Å; Y127-L145 HydrophobicContact CE1-CD2 4.43Å; A130-L145 HydrophobicContact CB-CD1 4.38Å; A130-L145 HydrophobicContact CB-CD2 3.82Å; A130-L145 HydrophobicContact CB-CG 3.83Å; A141-L145 VanDerWaalsContact O-CG 3.25Å; A141-L145 WeakPolarHBondContact O-CG 3.42Å; A141-L145 PolarHBondContact O-N 3.37Å; A142-L145 PolarHBondContact O-N 3.19Å; I143-L145 VanDerWaalsContact C-N 3.29Å; I143-L145 PolarHBondContact O-N 3.38Å; L145-G147 PolarHBondContact O-N 3.08Å; L145-R148 PolarHBondContact O-N 2.9Å; L145-R148 VanDerWaalsContact O-N 3.11Å; L145-Y149 PolarHBondContact O-N 3.36Å; L145-Y155 HydrophobicContact CB-CD1 4.47Å; L145-Y155 HydrophobicContact CB-CE1 4.31Å; L145-L159 HydrophobicContact CD1-CD1 4.36Å
146	T	92.3	Very high	92.1	Very high	31 Å²	31	46 Å²	46	19%	0.19	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-68.9	130.3	180	-60.5	0	0	0	0	110.9	A142 I143 Y144 R148 A156	A142-T146 PolarHBondContact O-N 3.4Å; A142-T146 PolarHBondContact O-OG1 3.23Å; I143-T146 WeakPolarHBondContact O-CB 3.46Å; I143-T146 PolarHBondContact O-N 3.41Å; Y144-T146 VanDerWaalsContact C-N 3.25Å; Y144-T146 PolarHBondContact O-N 3.09Å; T146-R148 PolarHBondContact O-N 3.42Å; T146-A156 WeakPolarHBondContact OG1-CA 3.38Å; T146-A156 WeakPolarHBondContact OG1-CB 3.5Å; T146-A156 PolarHBondContact OG1-N 3.44Å
147	G	89.4	Confident	92.5	Very high	54 Å²	54	43.8 Å²	43.8	56%	0.557	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	-5.6	-173	0	0	0	0	0	114.7	L145 A150	L145-G147 PolarHBondContact O-N 3.08Å; G147-A150 WeakPolarHBondContact CA-O 3.31Å; G147-A150 PolarHBondContact N-O 3.24Å
148	R	94.4	Very high	92.7	Very high	98 Å²	98	48.4 Å²	48.4	37%	0.37	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-45.8	178.7	-68.3	-177	-177.4	66	5	113	Y126 Y127 Y144 L145 T146	Y126-R148 HydrophobicContact CE1-CB 3.89Å; Y126-R148 HydrophobicContact CE1-CG 4.24Å; Y127-R148 HydrophobicContact CE1-CB 4.07Å; Y127-R148 PolarHBondContact OH-O 3.21Å; Y144-R148 VanDerWaalsContact O-CD 3.28Å; Y144-R148 WeakPolarHBondContact O-CD 3.37Å; Y144-R148 PolarHBondContact O-NH1 2.82Å; L145-R148 PolarHBondContact O-N 2.9Å; L145-R148 VanDerWaalsContact O-N 3.11Å; T146-R148 PolarHBondContact O-N 3.42Å
149	Y	94.7	Very high	92.8	Very high	53 Å²	53	47 Å²	47	21%	0.208	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-46.5	175.5	-172.1	-88.2	0	0	0	110.5	H118 L121 L122 Y127 L145 Y155	H118-Y149 AromaticContact CE1-CE2 3.41Å; H118-Y149 VanDerWaalsContact CE1-CE2 3.41Å; H118-Y149 WeakPolarHBondContact CE1-CE2 3.25Å; H118-Y149 AromaticContact CE1-CZ 3.59Å; H118-Y149 PolarHBondContact CE1-OH 2.9Å; H118-Y149 VanDerWaalsContact CE1-OH 3.27Å; L121-Y149 HydrophobicContact CD2-CE2 4.03Å; L122-Y149 HydrophobicContact CD2-CD2 4.08Å; L122-Y149 HydrophobicContact CD2-CE2 4.44Å; Y127-Y149 HydrophobicContact CE1-CD2 4.42Å; L145-Y149 PolarHBondContact O-N 3.36Å; Y149-Y155 AromaticContact CD1-CE1 3.87Å; Y149-Y155 HydrophobicContact CD1-CE1 3.87Å; Y149-Y155 HydrophobicContact CD1-CE2 4.48Å; Y149-Y155 AromaticContact CD1-CZ 3.6Å; Y149-Y155 WeakPolarHBondContact CD1-OH 3.42Å; Y149-Y155 VanDerWaalsContact CE1-OH 3.27Å; Y149-Y155 WeakPolarHBondContact CE1-OH 3.28Å; Y149-Y155 HydrophobicContact CG-CE1 4.44Å
150	A	90.1	Very high	92.8	Very high	23 Å²	23	47.2 Å²	47.2	19%	0.19	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-124.2	144.4	174.5	0	0	0	0	0	110.4	G147 D152 Y155	G147-A150 WeakPolarHBondContact CA-O 3.31Å; G147-A150 PolarHBondContact N-O 3.24Å; A150-D152 PolarHBondContact O-N 2.96Å; A150-Y155 HydrophobicContact CB-CD1 4.1Å; A150-Y155 HydrophobicContact CB-CD2 3.48Å; A150-Y155 VanDerWaalsContact CB-CD2 3.48Å; A150-Y155 HydrophobicContact CB-CE1 4.33Å; A150-Y155 HydrophobicContact CB-CE2 3.76Å; A150-Y155 HydrophobicContact CB-CG 3.66Å
151	T	88.5	Confident	92.9	Very high	143 Å²	143	48 Å²	48	88%	0.877	29%	0.289	S	S	*	.	S	Bend	trans	-76.8	-6.6	174.9	55.2	0	0	0	0	113.1	P153	T151-P153 WeakPolarHBondContact O-CD 3.42Å
152	D	91.2	Very high	92.8	Very high	50 Å²	50	49 Å²	49	27%	0.267	30%	0.295	S	S	.	.			trans	-70.7	119.8	178.4	177.3	9.2	0	0	0	111	A150 G154 Y155 K158	A150-D152 PolarHBondContact O-N 2.96Å; D152-G154 PolarHBondContact O-N 3Å; D152-G154 PolarHBondContact OD1-N 3.38Å; D152-Y155 VanDerWaalsContact O-CB 3.3Å; D152-Y155 WeakPolarHBondContact O-CB 3.44Å; D152-Y155 PolarHBondContact O-N 3.38Å; D152-Y155 VanDerWaalsContact O-N 3.15Å; D152-K158 VanDerWaalsContact OD2-CE 3.27Å; D152-K158 WeakPolarHBondContact OD2-CE 3.24Å; D152-K158 IonicContact OD2-NZ 2.66Å; D152-K158 PolarHBondContact OD2-NZ 3.41Å
153	P	87.6	Confident	92.7	Very high	119 Å²	119	49.1 Å²	49.1	77%	0.773	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.5	176.9	27.4	-35.5	0	0	0	113.3	T151 Y155	T151-P153 WeakPolarHBondContact O-CD 3.42Å; P153-Y155 VanDerWaalsContact C-N 3.33Å
154	G	90.7	Very high	92.6	Very high	33 Å²	33	48.4 Å²	48.4	34%	0.34	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	4.7	176.9	0	0	0	0	0	114.6	D152 A156 G157 K158	D152-G154 PolarHBondContact O-N 3Å; D152-G154 PolarHBondContact OD1-N 3.38Å; G154-A156 PolarHBondContact O-N 3.44Å; G154-G157 PolarHBondContact O-N 3.04Å; G154-K158 PolarHBondContact O-N 3.3Å
155	Y	94	Very high	92.4	Very high	6 Å²	6	49.8 Å²	49.8	2%	0.024	31%	0.306	C	S	.	.	H	α-helix	trans	-60.2	-48.6	-170.4	-168.2	-112.4	0	0	0	113	Q54 V57 L145 Y149 A150 D152 P153 G157 K158 L159	Q54-Y155 WeakPolarHBondContact CG-OH 3.25Å; Q54-Y155 PolarHBondContact NE2-OH 2.94Å; Q54-Y155 VanDerWaalsContact NE2-OH 3.07Å; V57-Y155 HydrophobicContact CG1-CE2 4.46Å; L145-Y155 HydrophobicContact CB-CD1 4.47Å; L145-Y155 HydrophobicContact CB-CE1 4.31Å; Y149-Y155 AromaticContact CD1-CE1 3.87Å; Y149-Y155 HydrophobicContact CD1-CE1 3.87Å; Y149-Y155 HydrophobicContact CD1-CE2 4.48Å; Y149-Y155 AromaticContact CD1-CZ 3.6Å; Y149-Y155 WeakPolarHBondContact CD1-OH 3.42Å; Y149-Y155 VanDerWaalsContact CE1-OH 3.27Å; Y149-Y155 WeakPolarHBondContact CE1-OH 3.28Å; Y149-Y155 HydrophobicContact CG-CE1 4.44Å; A150-Y155 HydrophobicContact CB-CD1 4.1Å; A150-Y155 HydrophobicContact CB-CD2 3.48Å; A150-Y155 VanDerWaalsContact CB-CD2 3.48Å; A150-Y155 HydrophobicContact CB-CE1 4.33Å; A150-Y155 HydrophobicContact CB-CE2 3.76Å; A150-Y155 HydrophobicContact CB-CG 3.66Å; D152-Y155 VanDerWaalsContact O-CB 3.3Å; D152-Y155 WeakPolarHBondContact O-CB 3.44Å; D152-Y155 PolarHBondContact O-N 3.38Å; D152-Y155 VanDerWaalsContact O-N 3.15Å; P153-Y155 VanDerWaalsContact C-N 3.33Å; Y155-G157 VanDerWaalsContact C-N 3.31Å; Y155-G157 PolarHBondContact O-N 2.93Å; Y155-K158 WeakPolarHBondContact O-CB 3.23Å; Y155-K158 PolarHBondContact O-N 3.44Å; Y155-L159 HydrophobicContact CD1-CD1 3.97Å; Y155-L159 HydrophobicContact CD1-CG 4.36Å; Y155-L159 HydrophobicContact CE1-CD1 3.55Å; Y155-L159 HydrophobicContact CE1-CD2 4.48Å; Y155-L159 HydrophobicContact CE1-CG 4.12Å; Y155-L159 PolarHBondContact O-N 2.88Å
156	A	93.5	Very high	92.3	Very high	13 Å²	13	52.7 Å²	52.7	11%	0.107	32%	0.317	C	S	.	.	H	α-helix	trans	-55.7	-46.7	175.5	0	0	0	0	0	111.9	A142 I143 T146 G154 K158 L159 I160	A142-A156 HydrophobicContact CB-CB 4.18Å; A142-A156 WeakPolarHBondContact O-CB 3.48Å; I143-A156 HydrophobicContact CG1-CB 4.19Å; T146-A156 WeakPolarHBondContact OG1-CA 3.38Å; T146-A156 WeakPolarHBondContact OG1-CB 3.5Å; T146-A156 PolarHBondContact OG1-N 3.44Å; G154-A156 PolarHBondContact O-N 3.44Å; A156-K158 VanDerWaalsContact C-N 3.3Å; A156-K158 PolarHBondContact O-N 2.97Å; A156-L159 PolarHBondContact O-N 3.26Å; A156-I160 HydrophobicContact CB-CD1 4.43Å; A156-I160 WeakPolarHBondContact O-CB 3.44Å; A156-I160 VanDerWaalsContact O-CG1 3.23Å; A156-I160 WeakPolarHBondContact O-CG1 3.31Å; A156-I160 PolarHBondContact O-N 3.48Å
157	G	92.1	Very high	92.3	Very high	48 Å²	48	55.7 Å²	55.7	50%	0.495	33%	0.332	S	S	.	.	H	α-helix	trans	-58.8	-41.2	179.5	0	0	0	0	0	112.3	G154 Y155 S161	G154-G157 PolarHBondContact O-N 3.04Å; Y155-G157 VanDerWaalsContact C-N 3.31Å; Y155-G157 PolarHBondContact O-N 2.93Å; G157-S161 VanDerWaalsContact O-CB 3.24Å; G157-S161 WeakPolarHBondContact O-CB 3.24Å; G157-S161 PolarHBondContact O-N 3.48Å
158	K	94.5	Very high	92.6	Very high	106 Å²	106	53.1 Å²	53.1	46%	0.461	31%	0.305	S	S	.	.	H	α-helix	trans	-62.2	-49.3	174.8	-69.3	173.8	179.3	176	0	111.7	D152 G154 Y155 A156 S161 L162	D152-K158 VanDerWaalsContact OD2-CE 3.27Å; D152-K158 WeakPolarHBondContact OD2-CE 3.24Å; D152-K158 IonicContact OD2-NZ 2.66Å; D152-K158 PolarHBondContact OD2-NZ 3.41Å; G154-K158 PolarHBondContact O-N 3.3Å; Y155-K158 WeakPolarHBondContact O-CB 3.23Å; Y155-K158 PolarHBondContact O-N 3.44Å; A156-K158 VanDerWaalsContact C-N 3.3Å; A156-K158 PolarHBondContact O-N 2.97Å; K158-S161 PolarHBondContact O-N 3.33Å; K158-L162 WeakPolarHBondContact O-CG 3.25Å; K158-L162 PolarHBondContact O-N 2.95Å
159	L	96	Very high	92.6	Very high	0 Å²	0	51 Å²	51	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.1	-48.5	-180	-63.9	-173.9	0	0	0	111.5	I50 A53 Q54 V57 A142 L145 Y155 A156 S161 L162 I163	I50-L159 HydrophobicContact CD1-CD1 4.36Å; A53-L159 HydrophobicContact CB-CB 4.45Å; A53-L159 HydrophobicContact CB-CD2 3.93Å; Q54-L159 HydrophobicContact CG-CD1 4.08Å; Q54-L159 HydrophobicContact CG-CD2 3.88Å; V57-L159 HydrophobicContact CG2-CD2 4.17Å; A142-L159 HydrophobicContact CB-CB 4.22Å; A142-L159 HydrophobicContact CB-CD1 4.26Å; L145-L159 HydrophobicContact CD1-CD1 4.36Å; Y155-L159 HydrophobicContact CD1-CD1 3.97Å; Y155-L159 HydrophobicContact CD1-CG 4.36Å; Y155-L159 HydrophobicContact CE1-CD1 3.55Å; Y155-L159 HydrophobicContact CE1-CD2 4.48Å; Y155-L159 HydrophobicContact CE1-CG 4.12Å; Y155-L159 PolarHBondContact O-N 2.88Å; A156-L159 PolarHBondContact O-N 3.26Å; L159-S161 VanDerWaalsContact C-N 3.34Å; L159-S161 PolarHBondContact O-N 2.87Å; L159-L162 PolarHBondContact O-N 3.03Å; L159-I163 VanDerWaalsContact O-CG1 3.25Å; L159-I163 WeakPolarHBondContact O-CG1 3.48Å; L159-I163 PolarHBondContact O-N 3.45Å
160	I	94.3	Very high	92.6	Very high	17 Å²	17	51.4 Å²	51.4	9%	0.087	30%	0.304	C	S	.	.	H	α-helix	trans	-60.6	-45.4	179.8	-67.7	168.8	0	0	0	110.3	Y138 Q139 A142 A156 L162 I163 Q164	Y138-I160 HydrophobicContact CE2-CB 4.49Å; Y138-I160 HydrophobicContact CE2-CG1 4.21Å; Y138-I160 HydrophobicContact CE2-CG2 4.3Å; Q139-I160 HydrophobicContact CB-CD1 3.96Å; Q139-I160 HydrophobicContact CB-CG1 4.43Å; Q139-I160 HydrophobicContact CG-CD1 3.87Å; Q139-I160 HydrophobicContact CG-CG1 4.04Å; Q139-I160 HydrophobicContact CG-CG2 4.33Å; A142-I160 HydrophobicContact CB-CD1 4.23Å; A142-I160 HydrophobicContact CB-CG1 3.94Å; A156-I160 HydrophobicContact CB-CD1 4.43Å; A156-I160 WeakPolarHBondContact O-CB 3.44Å; A156-I160 VanDerWaalsContact O-CG1 3.23Å; A156-I160 WeakPolarHBondContact O-CG1 3.31Å; A156-I160 PolarHBondContact O-N 3.48Å; I160-L162 PolarHBondContact O-N 3.36Å; I160-I163 PolarHBondContact O-N 2.97Å; I160-Q164 HydrophobicContact CG2-CG 4.48Å; I160-Q164 VanDerWaalsContact CG2-NE2 3.29Å; I160-Q164 VanDerWaalsContact O-CG 3.31Å; I160-Q164 WeakPolarHBondContact O-CG 3.23Å; I160-Q164 PolarHBondContact O-N 3.45Å
161	S	92.2	Very high	92.8	Very high	60 Å²	60	50.6 Å²	50.6	42%	0.42	30%	0.297	S	S	.	.	H	α-helix	trans	-59.1	-45.5	176.5	-177.1	0	0	0	0	111.5	G157 K158 L159 Q164 T165	G157-S161 VanDerWaalsContact O-CB 3.24Å; G157-S161 WeakPolarHBondContact O-CB 3.24Å; G157-S161 PolarHBondContact O-N 3.48Å; K158-S161 PolarHBondContact O-N 3.33Å; L159-S161 VanDerWaalsContact C-N 3.34Å; L159-S161 PolarHBondContact O-N 2.87Å; S161-Q164 PolarHBondContact O-N 3.18Å; S161-T165 VanDerWaalsContact O-CB 3.23Å; S161-T165 WeakPolarHBondContact O-CB 3.48Å; S161-T165 PolarHBondContact O-N 3.03Å; S161-T165 PolarHBondContact O-OG1 2.86Å
162	L	94.2	Very high	93.1	Very high	22 Å²	22	44.8 Å²	44.8	12%	0.115	26%	0.26	C	S	.	.	H	α-helix	trans	-63.2	-43.5	177.6	-71.1	171.6	0	0	0	111.9	A53 L56 V57 F61 K158 L159 I160 Q164 Y166	A53-L162 HydrophobicContact CB-CB 4.19Å; L56-L162 HydrophobicContact CB-CD1 4.27Å; V57-L162 HydrophobicContact CG2-CD1 3.49Å; V57-L162 VanDerWaalsContact CG2-CD1 3.49Å; F61-L162 HydrophobicContact CE1-CD2 4.19Å; F61-L162 HydrophobicContact CE2-CD2 4.32Å; F61-L162 HydrophobicContact CZ-CD2 3.48Å; F61-L162 VanDerWaalsContact CZ-CD2 3.48Å; K158-L162 WeakPolarHBondContact O-CG 3.25Å; K158-L162 PolarHBondContact O-N 2.95Å; L159-L162 PolarHBondContact O-N 3.03Å; I160-L162 PolarHBondContact O-N 3.36Å; L162-Q164 VanDerWaalsContact C-N 3.27Å; L162-Q164 PolarHBondContact O-N 3.5Å; L162-Y166 HydrophobicContact CD2-CD2 4.13Å; L162-Y166 HydrophobicContact CD2-CE2 3.83Å; L162-Y166 WeakPolarHBondContact O-CB 3.47Å; L162-Y166 WeakPolarHBondContact O-CD2 3.43Å; L162-Y166 PolarHBondContact O-N 2.99Å
163	I	93.9	Very high	92.5	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-59.4	-41.9	178.6	-69.1	168.2	0	0	0	110.8	I50 A53 Y138 L159 I160 N167 L168 T169	I50-I163 HydrophobicContact CD1-CD1 3.64Å; I50-I163 HydrophobicContact CG1-CD1 4.16Å; A53-I163 HydrophobicContact CB-CD1 4.16Å; A53-I163 HydrophobicContact CB-CG1 3.75Å; Y138-I163 HydrophobicContact CD1-CG2 4.25Å; Y138-I163 HydrophobicContact CD2-CB 4.25Å; Y138-I163 HydrophobicContact CD2-CD1 3.39Å; Y138-I163 HydrophobicContact CD2-CG1 4.39Å; Y138-I163 HydrophobicContact CD2-CG2 3.87Å; Y138-I163 HydrophobicContact CE1-CG2 3.94Å; Y138-I163 HydrophobicContact CE2-CB 3.88Å; Y138-I163 HydrophobicContact CE2-CD1 3.89Å; Y138-I163 HydrophobicContact CE2-CG1 4.48Å; Y138-I163 HydrophobicContact CE2-CG2 3.51Å; Y138-I163 HydrophobicContact CG-CD1 4.06Å; Y138-I163 HydrophobicContact CG-CG2 4.23Å; L159-I163 VanDerWaalsContact O-CG1 3.25Å; L159-I163 WeakPolarHBondContact O-CG1 3.48Å; L159-I163 PolarHBondContact O-N 3.45Å; I160-I163 PolarHBondContact O-N 2.97Å; I163-N167 CarbonylContact O-C 3.54Å; I163-N167 VanDerWaalsContact O-CA 3.25Å; I163-N167 WeakPolarHBondContact O-CA 3.44Å; I163-N167 PolarHBondContact O-N 3.3Å; I163-L168 HydrophobicContact CB-CB 4.4Å; I163-L168 HydrophobicContact CG1-CB 4.29Å; I163-L168 HydrophobicContact CG1-CD1 4.07Å; I163-L168 HydrophobicContact CG2-CB 4.26Å; I163-L168 PolarHBondContact O-N 2.96Å; I163-T169 HydrophobicContact CG2-CG2 3.7Å
164	Q	90.9	Very high	91.3	Very high	71 Å²	71	46.1 Å²	46.1	33%	0.332	27%	0.27	S	S	.	.	H	α-helix	trans	-74.3	-51.9	179.2	-69.1	168.8	-5	0	0	112.2	Y138 I160 S161 L162 Y166 N167	Y138-Q164 WeakPolarHBondContact OH-CG 3.44Å; Y138-Q164 PolarHBondContact OH-NE2 3.48Å; I160-Q164 HydrophobicContact CG2-CG 4.48Å; I160-Q164 VanDerWaalsContact CG2-NE2 3.29Å; I160-Q164 VanDerWaalsContact O-CG 3.31Å; I160-Q164 WeakPolarHBondContact O-CG 3.23Å; I160-Q164 PolarHBondContact O-N 3.45Å; S161-Q164 PolarHBondContact O-N 3.18Å; L162-Q164 VanDerWaalsContact C-N 3.27Å; L162-Q164 PolarHBondContact O-N 3.5Å; Q164-Y166 PolarHBondContact O-N 2.92Å; Q164-N167 PolarHBondContact O-N 3.39Å; Q164-N167 VanDerWaalsContact O-N 3.11Å
165	T	90.4	Very high	89.4	Confident	98 Å²	98	48 Å²	48	60%	0.601	29%	0.289	S	S	*	.	H	α-helix	trans	-55.8	-40.2	-178.6	-63.9	0	0	0	0	111.7	S161	S161-T165 VanDerWaalsContact O-CB 3.23Å; S161-T165 WeakPolarHBondContact O-CB 3.48Å; S161-T165 PolarHBondContact O-N 3.03Å; S161-T165 PolarHBondContact O-OG1 2.86Å
166	Y	92.3	Very high	87	Confident	61 Å²	61	49.7 Å²	49.7	24%	0.239	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	10.8	-178.7	-63.1	-75.9	0	0	0	113.6	I30 F61 L162 Q164 L168 R170	I30-Y166 HydrophobicContact CD1-CD1 3.36Å; I30-Y166 HydrophobicContact CD1-CD2 4.27Å; I30-Y166 HydrophobicContact CD1-CE1 3.67Å; I30-Y166 HydrophobicContact CD1-CG 3.67Å; F61-Y166 HydrophobicContact CE1-CD2 4.47Å; F61-Y166 AromaticContact CE1-CE2 3.54Å; F61-Y166 HydrophobicContact CE1-CE2 3.54Å; F61-Y166 AromaticContact CE1-CZ 3.61Å; F61-Y166 WeakPolarHBondContact CE1-OH 3.47Å; F61-Y166 AromaticContact CZ-CE2 3.87Å; F61-Y166 HydrophobicContact CZ-CE2 3.87Å; L162-Y166 HydrophobicContact CD2-CD2 4.13Å; L162-Y166 HydrophobicContact CD2-CE2 3.83Å; L162-Y166 WeakPolarHBondContact O-CB 3.47Å; L162-Y166 WeakPolarHBondContact O-CD2 3.43Å; L162-Y166 PolarHBondContact O-N 2.99Å; Q164-Y166 PolarHBondContact O-N 2.92Å; Y166-L168 VanDerWaalsContact C-N 3.28Å; Y166-L168 PolarHBondContact O-N 3.15Å; Y166-R170 PolarHBondContact O-NH1 3.3Å
167	N	92.8	Very high	84.4	Confident	94 Å²	94	51.4 Å²	51.4	50%	0.503	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	45.6	179.4	-174.6	30.3	0	0	0	113.4	I163 Q164 T169 R170	I163-N167 CarbonylContact O-C 3.54Å; I163-N167 VanDerWaalsContact O-CA 3.25Å; I163-N167 WeakPolarHBondContact O-CA 3.44Å; I163-N167 PolarHBondContact O-N 3.3Å; Q164-N167 PolarHBondContact O-N 3.39Å; Q164-N167 VanDerWaalsContact O-N 3.11Å; N167-T169 PolarHBondContact O-N 3.2Å; N167-R170 VanDerWaalsContact C-NH1 3.33Å; N167-R170 WeakPolarHBondContact O-CG 3.44Å; N167-R170 PolarHBondContact O-N 3.19Å; N167-R170 PolarHBondContact O-NH1 2.91Å
168	L	95.5	Very high	81.8	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-71.4	-16.5	-170.1	-57	-178.3	0	0	0	113.3	I30 S49 V52 A53 L56 I163 Y166 R170 F171	I30-L168 HydrophobicContact CG2-CD2 3.63Å; S49-L168 WeakPolarHBondContact CB-O 3.29Å; V52-L168 HydrophobicContact CB-CD1 4.21Å; V52-L168 HydrophobicContact CG1-CD1 3.96Å; V52-L168 HydrophobicContact CG1-CD2 3.99Å; A53-L168 HydrophobicContact CB-CD1 4Å; L56-L168 HydrophobicContact CD1-CD1 4.3Å; I163-L168 HydrophobicContact CB-CB 4.4Å; I163-L168 HydrophobicContact CG1-CB 4.29Å; I163-L168 HydrophobicContact CG1-CD1 4.07Å; I163-L168 HydrophobicContact CG2-CB 4.26Å; I163-L168 PolarHBondContact O-N 2.96Å; Y166-L168 VanDerWaalsContact C-N 3.28Å; Y166-L168 PolarHBondContact O-N 3.15Å; L168-R170 PolarHBondContact O-N 2.75Å; L168-R170 VanDerWaalsContact O-N 3.13Å; L168-F171 HydrophobicContact CB-CD2 4.38Å; L168-F171 HydrophobicContact CD2-CD2 4.29Å; L168-F171 HydrophobicContact CD2-CE2 3.9Å; L168-F171 WeakPolarHBondContact O-CB 3.36Å; L168-F171 WeakPolarHBondContact O-CD2 3.23Å; L168-F171 PolarHBondContact O-N 2.97Å
169	T	95.4	Very high	79	Confident	52 Å²	52	54.1 Å²	54.1	32%	0.319	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-61.5	-18.3	174.7	53.6	0	0	0	0	112.9	Y138 I163 N167 F171 D172	Y138-T169 HydrophobicContact CD1-CG2 3.56Å; Y138-T169 HydrophobicContact CE1-CG2 3.39Å; I163-T169 HydrophobicContact CG2-CG2 3.7Å; N167-T169 PolarHBondContact O-N 3.2Å; T169-F171 PolarHBondContact O-N 2.76Å; T169-F171 VanDerWaalsContact O-N 3.11Å; T169-D172 WeakPolarHBondContact O-CB 3.47Å; T169-D172 PolarHBondContact O-N 3.08Å
170	R	93.9	Very high	76.2	Confident	63 Å²	63	60.1 Å²	60.1	24%	0.238	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-57.9	-21.8	169.9	78.2	176.7	169.4	-83.7	4.2	113.3	E31 Y166 N167 L168 A176	E31-R170 IonicContact OE1-CZ 2.73Å; E31-R170 IonicContact OE1-NE 2.84Å; E31-R170 PolarHBondContact OE1-NE 2.81Å; E31-R170 IonicContact OE1-NH2 2.62Å; E31-R170 PolarHBondContact OE1-NH2 3.25Å; Y166-R170 PolarHBondContact O-NH1 3.3Å; N167-R170 VanDerWaalsContact C-NH1 3.33Å; N167-R170 WeakPolarHBondContact O-CG 3.44Å; N167-R170 PolarHBondContact O-N 3.19Å; N167-R170 PolarHBondContact O-NH1 2.91Å; L168-R170 PolarHBondContact O-N 2.75Å; L168-R170 VanDerWaalsContact O-N 3.13Å; R170-A176 WeakPolarHBondContact O-CB 3.36Å
171	F	95	Very high	73.3	Confident	6 Å²	6	67.5 Å²	67.5	3%	0.026	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-86.7	-11.7	176.1	-57.5	-54.8	0	0	0	112.8	I30 E31 M38 A48 V52 L168 T169 T173	I30-F171 HydrophobicContact CG2-CE2 4.05Å; I30-F171 HydrophobicContact CG2-CZ 4.38Å; E31-F171 WeakPolarHBondContact OE2-CE1 3.48Å; E31-F171 WeakPolarHBondContact OE2-CZ 3.46Å; M38-F171 HydrophobicContact CG-CB 3.9Å; M38-F171 HydrophobicContact CG-CD1 4.39Å; M38-F171 WeakPolarHBondContact CG-O 3.5Å; M38-F171 HydrophobicContact SD-CB 4.2Å; M38-F171 HydrophobicContact SD-CD1 3.81Å; M38-F171 HydrophobicContact SD-CG 4.5Å; A48-F171 HydrophobicContact CB-CB 3.77Å; A48-F171 WeakPolarHBondContact CB-O 3.48Å; V52-F171 HydrophobicContact CG2-CD2 4.38Å; L168-F171 HydrophobicContact CB-CD2 4.38Å; L168-F171 HydrophobicContact CD2-CD2 4.29Å; L168-F171 HydrophobicContact CD2-CE2 3.9Å; L168-F171 WeakPolarHBondContact O-CB 3.36Å; L168-F171 WeakPolarHBondContact O-CD2 3.23Å; L168-F171 PolarHBondContact O-N 2.97Å; T169-F171 PolarHBondContact O-N 2.76Å; T169-F171 VanDerWaalsContact O-N 3.11Å; F171-T173 VanDerWaalsContact C-N 3.31Å; F171-T173 PolarHBondContact O-N 3.45Å
172	D	93.9	Very high	70.5	Confident	21 Å²	21	69.3 Å²	69.3	11%	0.112	43%	0.426	C	S	.	.	S	Bend	trans	-79.9	-13.3	-177.7	-69	-35.7	0	0	0	113.9	Y47 A48 S49 K132 T169	Y47-D172 WeakPolarHBondContact CA-OD1 3.09Å; A48-D172 WeakPolarHBondContact CA-OD1 3.48Å; A48-D172 PolarHBondContact N-OD1 3.39Å; S49-D172 WeakPolarHBondContact CB-OD2 3.24Å; S49-D172 PolarHBondContact N-OD1 2.96Å; S49-D172 PolarHBondContact OG-OD1 3.38Å; S49-D172 PolarHBondContact OG-OD2 2.99Å; K132-D172 PolarHBondContact NZ-O 2.77Å; K132-D172 VanDerWaalsContact NZ-O 3.08Å; T169-D172 WeakPolarHBondContact O-CB 3.47Å; T169-D172 PolarHBondContact O-N 3.08Å
173	T	80.5	Confident	67.6	Low	82 Å²	82	72.4 Å²	72.4	50%	0.503	46%	0.455	S	S	.	.	S	Bend	trans	-110.5	114.5	178.1	47.2	0	0	0	0	110.7	F171 G175 A176	F171-T173 VanDerWaalsContact C-N 3.31Å; F171-T173 PolarHBondContact O-N 3.45Å; T173-G175 PolarHBondContact O-N 2.92Å; T173-G175 VanDerWaalsContact O-N 3.11Å; T173-A176 PolarHBondContact O-N 3.11Å
174	P	61	Low	64.5	Low	115 Å²	115	78.6 Å²	78.6	75%	0.747	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	117.1	174.9	-21.3	31.9	0	0	0	110.4
175	G	50.9	Low	61.7	Low	71 Å²	71	83.2 Å²	83.2	73%	0.732	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	117.9	-9.7	176.8	0	0	0	0	0	116.2	T173 G177	T173-G175 PolarHBondContact O-N 2.92Å; T173-G175 VanDerWaalsContact O-N 3.11Å; G175-G177 VanDerWaalsContact C-N 3.35Å
176	A	44.8	Very low	58.7	Low	42 Å²	42	84 Å²	84	35%	0.347	51%	0.514	S	S	.	.			trans	-82.1	-11.5	175.4	0	0	0	0	0	113.9	R170 T173 T178 A179	R170-A176 WeakPolarHBondContact O-CB 3.36Å; T173-A176 PolarHBondContact O-N 3.11Å; A176-T178 PolarHBondContact O-N 3.32Å; A176-A179 PolarHBondContact O-N 2.99Å
177	G	38.5	Very low	55.8	Low	50 Å²	50	88.2 Å²	88.2	52%	0.515	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	23.9	-172.6	0	0	0	0	0	117.2	G175	G175-G177 VanDerWaalsContact C-N 3.35Å
178	T	37.4	Very low	52.7	Low	138 Å²	138	90.2 Å²	90.2	85%	0.847	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.2	6.3	174.3	-38.2	0	0	0	0	113.4	A176 V180	A176-T178 PolarHBondContact O-N 3.32Å; T178-V180 PolarHBondContact O-N 2.8Å
179	A	35	Very low	49.4	Very low	73 Å²	73	96.2 Å²	96.2	60%	0.603	58%	0.584	S	S	*	*			trans	-95.3	83.5	166.8	0	0	0	0	0	109.6	A176 Q181	A176-A179 PolarHBondContact O-N 2.99Å; A179-Q181 PolarHBondContact O-N 2.88Å
180	V	37.2	Very low	46.4	Very low	125 Å²	125	99.1 Å²	99.1	76%	0.758	60%	0.602	S	S	*	*			trans	-61.6	87.2	151.2	177.1	0	0	0	0	106.2	T178 T182	T178-V180 PolarHBondContact O-N 2.8Å; V180-T182 PolarHBondContact O-N 2.78Å
181	Q	34.2	Very low	43.4	Very low	172 Å²	172	100.3 Å²	100.3	80%	0.804	63%	0.625	S	S	*	*			trans	-82.2	90	149.5	-74.3	-164.7	26.5	0	0	106.2	A179 A183	A179-Q181 PolarHBondContact O-N 2.88Å; Q181-A183 PolarHBondContact O-N 2.9Å
182	T	32.1	Very low	40.5	Very low	98 Å²	98	105.5 Å²	105.5	60%	0.601	66%	0.662	S	S	*	*			trans	-45.5	89.1	137.9	-63.1	0	0	0	0	107.2	V180 N184	V180-T182 PolarHBondContact O-N 2.78Å; T182-N184 HydrophobicContact CG2-CB 4.08Å; T182-N184 PolarHBondContact O-N 3.5Å
183	A	33.5	Very low	37.5	Very low	87 Å²	87	113.8 Å²	113.8	72%	0.719	70%	0.7	S	S	*	*			trans	-69.6	72.4	155.5	0	0	0	0	0	106.3	Q181 Q185	Q181-A183 PolarHBondContact O-N 2.9Å; A183-Q185 VanDerWaalsContact C-N 3.28Å; A183-Q185 PolarHBondContact O-N 3.1Å
184	N	29.7	Very low	35.3	Very low	131 Å²	131	116.9 Å²	116.9	70%	0.701	71%	0.714	S	S	*	*			trans	-56.4	108.2	148.4	-100.9	-10	0	0	0	104.4	T182 T186	T182-N184 HydrophobicContact CG2-CB 4.08Å; T182-N184 PolarHBondContact O-N 3.5Å; N184-T186 PolarHBondContact O-N 3.07Å
185	Q	32.7	Very low	34.1	Very low	168 Å²	168	116.5 Å²	116.5	79%	0.785	71%	0.713	S	S	*	*			trans	-57.6	85.4	162.1	-73	-157.5	35.1	0	0	108.3	A183 Q187	A183-Q185 VanDerWaalsContact C-N 3.28Å; A183-Q185 PolarHBondContact O-N 3.1Å; Q185-Q187 PolarHBondContact O-N 2.83Å
186	T	26.2	Very low	33.4	Very low	115 Å²	115	122.2 Å²	122.2	71%	0.706	72%	0.721	S	S	*	*			trans	-77.3	90	149.2	-51.1	0	0	0	0	104.9	N184 N188	N184-T186 PolarHBondContact O-N 3.07Å; T186-N188 PolarHBondContact O-N 3.23Å
187	Q	31.4	Very low	32.9	Very low	150 Å²	150	126 Å²	126	70%	0.701	75%	0.745	S	S	*	*			trans	-51.5	92.4	153.2	-73.3	-177.9	-22.4	0	0	107.3	Q185 T189	Q185-Q187 PolarHBondContact O-N 2.83Å; Q187-T189 PolarHBondContact O-N 3.41Å
188	N	27.9	Very low	32.9	Very low	135 Å²	135	127.6 Å²	127.6	72%	0.722	75%	0.753	S	S	*	*			trans	-97	82.4	162.2	-146.8	30.9	0	0	0	106.5	T186 T190	T186-N188 PolarHBondContact O-N 3.23Å; N188-T190 VanDerWaalsContact C-N 3.33Å; N188-T190 PolarHBondContact O-N 3.13Å
189	T	27.1	Very low	32.7	Very low	127 Å²	127	127.7 Å²	127.7	78%	0.779	75%	0.754	S	S	*	*			trans	-56.3	95.8	163.4	44.3	0	0	0	0	108.8	Q187	Q187-T189 PolarHBondContact O-N 3.41Å
190	T	31	Very low	33	Very low	112 Å²	112	128.5 Å²	128.5	69%	0.687	76%	0.761	S	S	*	*			trans	-104.7	107.6	155.9	-56.7	0	0	0	0	106.8	N188 S192	N188-T190 VanDerWaalsContact C-N 3.33Å; N188-T190 PolarHBondContact O-N 3.13Å; T190-S192 PolarHBondContact O-N 3.33Å
191	A	30.7	Very low	33.3	Very low	88 Å²	88	127.4 Å²	127.4	73%	0.727	76%	0.758	S	S	*	*			trans	-55.7	125.7	169.4	0	0	0	0	0	109.8
192	S	35.8	Very low	34	Very low	115 Å²	115	121.3 Å²	121.3	80%	0.804	74%	0.737	S	S	*	*			trans	-143.8	104.9	150.7	-74.2	0	0	0	0	106.5	T190	T190-S192 PolarHBondContact O-N 3.33Å
193	Q	30.7	Very low	35.2	Very low	196 Å²	196	120.4 Å²	120.4	92%	0.916	74%	0.735	S	S	*	*			trans	-63.2	124.6	170.6	-63.3	162.8	-91.3	0	0	108.3
194	D	33	Very low	36.8	Very low	147 Å²	147	119 Å²	119	79%	0.786	73%	0.729	S	S	*	*			trans	-153.8	109.8	134.4	-154.7	4.8	0	0	0	111.5
195	S	36.8	Very low	39.3	Very low	106 Å²	106	119 Å²	119	74%	0.741	73%	0.725	S	S	*	*			trans	26.8	123.6	141.9	-39.6	0	0	0	0	121.7
196	Q	35.7	Very low	42.1	Very low	191 Å²	191	115.4 Å²	115.4	89%	0.893	72%	0.718	S	S	*	*			trans	-52.3	133.2	154.1	-71.4	157.1	-67.8	0	0	112.8
197	S	33.7	Very low	45.3	Very low	122 Å²	122	111.2 Å²	111.2	85%	0.853	69%	0.69	S	S	*	*			trans	-172.8	137.7	134.4	-88.9	0	0	0	0	113.1
198	A	38.6	Very low	48.3	Very low	83 Å²	83	107.7 Å²	107.7	69%	0.686	68%	0.679	S	S	*	*			trans	64.3	105.4	158.7	0	0	0	0	0	117
199	T	32.8	Very low	51.2	Low	140 Å²	140	101.5 Å²	101.5	86%	0.859	65%	0.645	S	S	*	*				47.6	69.5	77.9	-28.5	0	0	0	0	112.1
200	A	41.4	Very low	53.7	Low	90 Å²	90	101 Å²	101	74%	0.744	64%	0.635	S	S	*	*			trans	-107.2	94.1	154.1	0	0	0	0	0	107	A202	A200-A202 VanDerWaalsContact C-N 3.26Å; A200-A202 PolarHBondContact O-N 3.28Å
201	S	43.5	Very low	55.5	Low	102 Å²	102	101 Å²	101	71%	0.713	64%	0.639	S	S	*	*			trans	-55.4	101.6	152.5	-70.2	0	0	0	0	106.2	S203	S201-S203 PolarHBondContact O-N 3.25Å; S201-S203 VanDerWaalsContact O-N 3.15Å
202	A	49.4	Very low	57	Low	44 Å²	44	99.2 Å²	99.2	36%	0.364	63%	0.629	S	S	.	*			trans	-79	25.9	173.7	0	0	0	0	0	111.4	A200 G204 Q205 I249	A200-A202 VanDerWaalsContact C-N 3.26Å; A200-A202 PolarHBondContact O-N 3.28Å; A202-G204 PolarHBondContact O-N 2.84Å; A202-Q205 HydrophobicContact CB-CG 4.44Å; A202-Q205 PolarHBondContact O-N 2.76Å; A202-I249 CarbonylContact O-C 3.39Å
203	S	57.3	Low	59.1	Low	79 Å²	79	95.1 Å²	95.1	55%	0.552	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	107.9	-178.5	63.5	0	0	0	0	109.8	S201 I249	S201-S203 PolarHBondContact O-N 3.25Å; S201-S203 VanDerWaalsContact O-N 3.15Å; S203-I249 CarbonylContact C-O 3.47Å; S203-I249 WeakPolarHBondContact CA-O 3.44Å
204	G	68.4	Low	61.5	Low	57 Å²	57	86.1 Å²	86.1	59%	0.588	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	123.4	3.1	179.6	0	0	0	0	0	115.3	A202 I249	A202-G204 PolarHBondContact O-N 2.84Å; G204-I249 PolarHBondContact N-O 3.37Å
205	Q	82.1	Confident	63.9	Low	133 Å²	133	80.1 Å²	80.1	62%	0.621	53%	0.525	S	S	*	.			trans	-79.2	137.4	169.9	-74.3	-75.6	-75.1	0	0	109.5	A202 V248 I249	A202-Q205 HydrophobicContact CB-CG 4.44Å; A202-Q205 PolarHBondContact O-N 2.76Å; Q205-V248 CarbonylContact O-C 3.5Å; Q205-V248 WeakPolarHBondContact O-CA 3.38Å; Q205-I249 HydrophobicContact CB-CB 4.37Å; Q205-I249 PolarHBondContact N-O 3.4Å; Q205-I249 VanDerWaalsContact N-O 3.13Å; Q205-I249 PolarHBondContact O-N 3.39Å
206	S	89.9	Confident	66.1	Low	92 Å²	92	78.8 Å²	78.8	64%	0.643	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	132.6	173.6	64.1	0	0	0	0	110.9	I247	S206-I247 CarbonylContact C-O 3.36Å; S206-I247 VanDerWaalsContact CA-O 3.29Å; S206-I247 WeakPolarHBondContact CA-O 3.22Å
207	Y	93.9	Very high	68.2	Low	27 Å²	27	70.8 Å²	70.8	11%	0.106	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.2	171.4	176.9	-104.7	0	0	0	110.2	D213 I218 K221 F222 T246 I247	Y207-D213 WeakPolarHBondContact CE1-OD2 3.2Å; Y207-D213 VanDerWaalsContact CZ-OD2 3.24Å; Y207-D213 PolarHBondContact OH-OD2 3.11Å; Y207-I218 HydrophobicContact CD1-CD1 4.21Å; Y207-I218 HydrophobicContact CD1-CG1 4.39Å; Y207-I218 HydrophobicContact CD1-CG2 4.43Å; Y207-I218 HydrophobicContact CE1-CD1 3.88Å; Y207-I218 HydrophobicContact CE1-CG1 3.9Å; Y207-K221 PolarHBondContact OH-NZ 2.79Å; Y207-F222 HydrophobicContact CD1-CE2 4.2Å; Y207-F222 AromaticContact CD2-CE2 3.78Å; Y207-F222 HydrophobicContact CD2-CE2 3.78Å; Y207-F222 AromaticContact CD2-CZ 3.47Å; Y207-F222 HydrophobicContact CD2-CZ 3.47Å; Y207-F222 VanDerWaalsContact CD2-CZ 3.47Å; Y207-F222 HydrophobicContact CE1-CE2 4.49Å; Y207-F222 HydrophobicContact CE2-CE2 4.12Å; Y207-F222 AromaticContact CE2-CZ 3.92Å; Y207-F222 HydrophobicContact CE2-CZ 3.92Å; Y207-F222 AromaticContact CG-CE2 3.8Å; Y207-F222 HydrophobicContact CG-CE2 3.8Å; Y207-F222 AromaticContact CG-CZ 3.89Å; Y207-F222 HydrophobicContact CG-CZ 3.89Å; Y207-T246 WeakPolarHBondContact O-CA 3.49Å; Y207-I247 HydrophobicContact CD1-CD1 3.92Å; Y207-I247 HydrophobicContact CD1-CG1 4.13Å; Y207-I247 PolarHBondContact N-O 3.5Å; Y207-I247 WeakPolarHBondContact O-CG1 3.17Å; Y207-I247 PolarHBondContact O-N 2.95Å
208	T	93.7	Very high	70.6	Confident	76 Å²	76	65 Å²	65	47%	0.466	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	117.4	170.5	-56	0	0	0	0	108.9	Q210 D245	T208-Q210 PolarHBondContact O-N 2.84Å; T208-D245 CarbonylContact C-O 3.54Å; T208-D245 VanDerWaalsContact CA-O 3.31Å; T208-D245 WeakPolarHBondContact CA-O 3.39Å
209	V	88.8	Confident	73	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.024	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-55.6	127.8	177.8	177.5	0	0	0	0	109.5	D213 I218 I241 M242 P243 G244 D245 I247	V209-D213 HydrophobicContact CG1-CB 3.9Å; V209-I218 HydrophobicContact CG2-CD1 4.06Å; V209-I241 HydrophobicContact CG1-CB 4.27Å; V209-I241 HydrophobicContact CG1-CD1 3.78Å; V209-I241 HydrophobicContact CG1-CG1 4.06Å; V209-I241 HydrophobicContact CG2-CB 4.26Å; V209-I241 HydrophobicContact CG2-CD1 4.11Å; V209-M242 WeakPolarHBondContact CB-O 3.38Å; V209-M242 WeakPolarHBondContact CG1-O 3.38Å; V209-P243 CarbonylContact O-C 3.59Å; V209-P243 WeakPolarHBondContact O-CA 3.47Å; V209-G244 PolarHBondContact O-N 2.85Å; V209-D245 HydrophobicContact CB-CB 4.25Å; V209-D245 HydrophobicContact CG2-CB 3.98Å; V209-D245 WeakPolarHBondContact CG2-O 3.09Å; V209-D245 PolarHBondContact N-O 3.18Å; V209-I247 HydrophobicContact CG2-CD1 3.97Å; V209-I247 HydrophobicContact CG2-CG1 4.37Å; V209-I247 HydrophobicContact CG2-CG2 3.8Å
210	Q	80.7	Confident	75.4	Confident	118 Å²	118	60.5 Å²	60.5	55%	0.551	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-97.3	160.6	177.9	-59.4	-169.7	-48.5	0	0	110.8	T208 G212 D213	T208-Q210 PolarHBondContact O-N 2.84Å; Q210-G212 PolarHBondContact O-N 2.91Å; Q210-G212 VanDerWaalsContact O-N 3.16Å; Q210-D213 WeakPolarHBondContact CB-OD2 3.44Å; Q210-D213 PolarHBondContact N-OD2 3.22Å; Q210-D213 WeakPolarHBondContact O-CB 3.48Å; Q210-D213 PolarHBondContact O-N 2.97Å
211	S	68.2	Low	77.5	Confident	112 Å²	112	61.7 Å²	61.7	78%	0.783	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	120	173.7	-175.1	0	0	0	0	110.5
212	G	61.9	Low	79.8	Confident	50 Å²	50	60.5 Å²	60.5	52%	0.515	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	-0.9	-178.6	0	0	0	0	0	114.8	Q210	Q210-G212 PolarHBondContact O-N 2.91Å; Q210-G212 VanDerWaalsContact O-N 3.16Å
213	D	81.4	Confident	81.6	Confident	28 Å²	28	61.9 Å²	61.9	15%	0.15	38%	0.376	C	S	.	.			trans	-69	152.6	170	-78.1	-20.9	0	0	0	111.6	Y207 V209 Q210 I218 I241	Y207-D213 WeakPolarHBondContact CE1-OD2 3.2Å; Y207-D213 VanDerWaalsContact CZ-OD2 3.24Å; Y207-D213 PolarHBondContact OH-OD2 3.11Å; V209-D213 HydrophobicContact CG1-CB 3.9Å; Q210-D213 WeakPolarHBondContact CB-OD2 3.44Å; Q210-D213 PolarHBondContact N-OD2 3.22Å; Q210-D213 WeakPolarHBondContact O-CB 3.48Å; Q210-D213 PolarHBondContact O-N 2.97Å; D213-I218 HydrophobicContact CB-CD1 3.74Å; D213-I218 HydrophobicContact CB-CG1 3.97Å; D213-I241 HydrophobicContact CB-CD1 4.42Å
214	S	79.6	Confident	83.1	Confident	7 Å²	7	59.7 Å²	59.7	5%	0.049	36%	0.358	C	S	.	.			trans	-131.8	155.9	167.7	59.8	0	0	0	0	108.9	W216 G217 I218	S214-W216 PolarHBondContact O-N 3.04Å; S214-G217 PolarHBondContact O-N 2.96Å; S214-G217 VanDerWaalsContact O-N 3.07Å; S214-G217 PolarHBondContact OG-N 3.43Å; S214-G217 VanDerWaalsContact OG-N 3.1Å; S214-I218 WeakPolarHBondContact O-CB 3.18Å; S214-I218 WeakPolarHBondContact O-CG1 3.42Å; S214-I218 PolarHBondContact O-N 3Å
215	I	84.5	Confident	84	Confident	22 Å²	22	60.2 Å²	60.2	11%	0.113	35%	0.352	C	S	.	.	H	α-helix	trans	-52.7	-44.7	177.6	-64.5	176.8	0	0	0	110.2	I218 A219 V226 L229 L230 W235 S239 I241	I215-I218 PolarHBondContact O-N 2.65Å; I215-A219 VanDerWaalsContact O-CB 3.29Å; I215-A219 WeakPolarHBondContact O-CB 3.48Å; I215-A219 PolarHBondContact O-N 2.66Å; I215-V226 HydrophobicContact CG2-CG1 3.92Å; I215-L229 HydrophobicContact CG2-CD2 3.79Å; I215-L229 HydrophobicContact CG2-CG 4.36Å; I215-L229 WeakPolarHBondContact O-CD2 3.48Å; I215-L230 HydrophobicContact CD1-CD2 3.83Å; I215-L230 HydrophobicContact CG2-CD2 4.05Å; I215-L230 HydrophobicContact CG2-CG 4.34Å; I215-W235 HydrophobicContact CD1-CE3 4.43Å; I215-S239 VanDerWaalsContact CD1-O 3.25Å; I215-S239 WeakPolarHBondContact CD1-O 3.21Å; I215-I241 HydrophobicContact CD1-CG2 3.99Å; I215-I241 HydrophobicContact CG1-CD1 4.03Å; I215-I241 HydrophobicContact CG1-CG1 4.22Å; I215-I241 HydrophobicContact CG1-CG2 3.62Å
216	W	82.4	Confident	84.1	Confident	77 Å²	77	55.9 Å²	55.9	29%	0.292	33%	0.334	S	S	.	.	H	α-helix	trans	-64.4	-46.8	177.9	-170	96.1	0	0	0	112.4	S214 I218 A219 E220 V226	S214-W216 PolarHBondContact O-N 3.04Å; W216-I218 VanDerWaalsContact C-N 3.32Å; W216-I218 PolarHBondContact O-N 2.93Å; W216-A219 PolarHBondContact O-N 2.83Å; W216-E220 HydrophobicContact CE3-CB 4.43Å; W216-E220 HydrophobicContact CH2-CB 4.17Å; W216-E220 HydrophobicContact CH2-CG 4.15Å; W216-E220 WeakPolarHBondContact CH2-OE1 3.47Å; W216-E220 VanDerWaalsContact CH2-OE2 3.25Å; W216-E220 WeakPolarHBondContact CH2-OE2 3.2Å; W216-E220 HydrophobicContact CZ3-CB 4.06Å; W216-E220 VanDerWaalsContact CZ3-CD 3.47Å; W216-E220 HydrophobicContact CZ3-CG 4.34Å; W216-E220 WeakPolarHBondContact CZ3-OE2 3.32Å; W216-E220 WeakPolarHBondContact O-CB 3.44Å; W216-E220 PolarHBondContact O-N 2.85Å; W216-V226 HydrophobicContact CB-CG2 4.11Å; W216-V226 HydrophobicContact CG-CG2 4.15Å
217	G	79.4	Confident	83.9	Confident	23 Å²	23	57.4 Å²	57.4	24%	0.237	34%	0.336	C	S	.	.	H	α-helix	trans	-65.7	-34.7	179.7	0	0	0	0	0	113	S214 K221	S214-G217 PolarHBondContact O-N 2.96Å; S214-G217 VanDerWaalsContact O-N 3.07Å; S214-G217 PolarHBondContact OG-N 3.43Å; S214-G217 VanDerWaalsContact OG-N 3.1Å; G217-K221 WeakPolarHBondContact O-CB 3.29Å; G217-K221 PolarHBondContact O-N 2.81Å
218	I	85.8	Confident	83.7	Confident	0 Å²	0	60 Å²	60	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-67	-49.7	172.4	-71.9	165.5	0	0	0	109.9	Y207 V209 D213 S214 I215 W216 E220 K221 F222 L229 I241 I247 I249	Y207-I218 HydrophobicContact CD1-CD1 4.21Å; Y207-I218 HydrophobicContact CD1-CG1 4.39Å; Y207-I218 HydrophobicContact CD1-CG2 4.43Å; Y207-I218 HydrophobicContact CE1-CD1 3.88Å; Y207-I218 HydrophobicContact CE1-CG1 3.9Å; V209-I218 HydrophobicContact CG2-CD1 4.06Å; D213-I218 HydrophobicContact CB-CD1 3.74Å; D213-I218 HydrophobicContact CB-CG1 3.97Å; S214-I218 WeakPolarHBondContact O-CB 3.18Å; S214-I218 WeakPolarHBondContact O-CG1 3.42Å; S214-I218 PolarHBondContact O-N 3Å; I215-I218 PolarHBondContact O-N 2.65Å; W216-I218 VanDerWaalsContact C-N 3.32Å; W216-I218 PolarHBondContact O-N 2.93Å; I218-E220 VanDerWaalsContact C-N 3.29Å; I218-E220 PolarHBondContact O-N 3.07Å; I218-K221 WeakPolarHBondContact O-CB 3.37Å; I218-K221 PolarHBondContact O-N 3.25Å; I218-K221 VanDerWaalsContact O-N 3.14Å; I218-F222 HydrophobicContact CG2-CD2 3.79Å; I218-F222 HydrophobicContact CG2-CE2 4.02Å; I218-F222 VanDerWaalsContact O-CD2 3.22Å; I218-F222 WeakPolarHBondContact O-CD2 3.45Å; I218-F222 PolarHBondContact O-N 3.11Å; I218-L229 HydrophobicContact CB-CD2 4.15Å; I218-L229 HydrophobicContact CG2-CD2 3.73Å; I218-I241 HydrophobicContact CD1-CD1 3.46Å; I218-I241 VanDerWaalsContact CD1-CD1 3.46Å; I218-I247 HydrophobicContact CD1-CD1 3.72Å; I218-I247 HydrophobicContact CG2-CD1 3.66Å; I218-I249 HydrophobicContact CG2-CD1 3.58Å
219	A	87.2	Confident	83.6	Confident	2 Å²	2	56.4 Å²	56.4	2%	0.017	33%	0.327	C	S	.	.	H	α-helix	trans	-56.2	-46.4	179.4	0	0	0	0	0	111.1	I215 W216 F222 G223 I224 V226 L229	I215-A219 VanDerWaalsContact O-CB 3.29Å; I215-A219 WeakPolarHBondContact O-CB 3.48Å; I215-A219 PolarHBondContact O-N 2.66Å; W216-A219 PolarHBondContact O-N 2.83Å; A219-F222 PolarHBondContact O-N 2.82Å; A219-G223 PolarHBondContact O-N 2.62Å; A219-I224 CarbonylContact C-O 3.57Å; A219-I224 HydrophobicContact CB-CG1 4.16Å; A219-I224 WeakPolarHBondContact CB-O 3.48Å; A219-I224 PolarHBondContact O-N 3.16Å; A219-I224 VanDerWaalsContact O-O 3.05Å; A219-V226 HydrophobicContact CB-CG2 3.84Å; A219-L229 HydrophobicContact CB-CB 4.48Å; A219-L229 HydrophobicContact CB-CD2 3.98Å
220	E	84.3	Confident	83.5	Confident	127 Å²	127	56.8 Å²	56.8	59%	0.593	33%	0.328	S	S	*	.	H	α-helix	trans	-60.7	-48.4	174.5	-174.7	-177.1	-142.6	0	0	112.2	W216 I218 F222 G223	W216-E220 HydrophobicContact CE3-CB 4.43Å; W216-E220 HydrophobicContact CH2-CB 4.17Å; W216-E220 HydrophobicContact CH2-CG 4.15Å; W216-E220 WeakPolarHBondContact CH2-OE1 3.47Å; W216-E220 VanDerWaalsContact CH2-OE2 3.25Å; W216-E220 WeakPolarHBondContact CH2-OE2 3.2Å; W216-E220 HydrophobicContact CZ3-CB 4.06Å; W216-E220 VanDerWaalsContact CZ3-CD 3.47Å; W216-E220 HydrophobicContact CZ3-CG 4.34Å; W216-E220 WeakPolarHBondContact CZ3-OE2 3.32Å; W216-E220 WeakPolarHBondContact O-CB 3.44Å; W216-E220 PolarHBondContact O-N 2.85Å; I218-E220 VanDerWaalsContact C-N 3.29Å; I218-E220 PolarHBondContact O-N 3.07Å; E220-F222 PolarHBondContact O-N 2.85Å; E220-G223 PolarHBondContact O-N 3.34Å; E220-G223 VanDerWaalsContact O-N 3.07Å
221	K	85.6	Confident	83.9	Confident	115 Å²	115	54.4 Å²	54.4	50%	0.5	33%	0.329	S	S	.	.	H	α-helix	trans	-55.2	-36.3	179.3	174	179.3	178.6	176.5	0	112.7	Y207 G217 I218	Y207-K221 PolarHBondContact OH-NZ 2.79Å; G217-K221 WeakPolarHBondContact O-CB 3.29Å; G217-K221 PolarHBondContact O-N 2.81Å; I218-K221 WeakPolarHBondContact O-CB 3.37Å; I218-K221 PolarHBondContact O-N 3.25Å; I218-K221 VanDerWaalsContact O-N 3.14Å
222	F	91	Very high	85	Confident	78 Å²	78	51.7 Å²	51.7	34%	0.342	31%	0.305	S	S	.	.	H	α-helix	trans	-99.2	0.7	-178.9	-68.3	-73.1	0	0	0	114	Y207 I218 A219 E220 I224 I249	Y207-F222 HydrophobicContact CD1-CE2 4.2Å; Y207-F222 AromaticContact CD2-CE2 3.78Å; Y207-F222 HydrophobicContact CD2-CE2 3.78Å; Y207-F222 AromaticContact CD2-CZ 3.47Å; Y207-F222 HydrophobicContact CD2-CZ 3.47Å; Y207-F222 VanDerWaalsContact CD2-CZ 3.47Å; Y207-F222 HydrophobicContact CE1-CE2 4.49Å; Y207-F222 HydrophobicContact CE2-CE2 4.12Å; Y207-F222 AromaticContact CE2-CZ 3.92Å; Y207-F222 HydrophobicContact CE2-CZ 3.92Å; Y207-F222 AromaticContact CG-CE2 3.8Å; Y207-F222 HydrophobicContact CG-CE2 3.8Å; Y207-F222 AromaticContact CG-CZ 3.89Å; Y207-F222 HydrophobicContact CG-CZ 3.89Å; I218-F222 HydrophobicContact CG2-CD2 3.79Å; I218-F222 HydrophobicContact CG2-CE2 4.02Å; I218-F222 VanDerWaalsContact O-CD2 3.22Å; I218-F222 WeakPolarHBondContact O-CD2 3.45Å; I218-F222 PolarHBondContact O-N 3.11Å; A219-F222 PolarHBondContact O-N 2.82Å; E220-F222 PolarHBondContact O-N 2.85Å; F222-I224 VanDerWaalsContact C-N 3.28Å; F222-I224 HydrophobicContact CB-CG1 4.4Å; F222-I224 PolarHBondContact O-N 2.77Å; F222-I249 HydrophobicContact CB-CG2 3.39Å; F222-I249 HydrophobicContact CD1-CG2 3.83Å; F222-I249 HydrophobicContact CD2-CD1 3.83Å; F222-I249 HydrophobicContact CD2-CG1 4.06Å; F222-I249 HydrophobicContact CD2-CG2 3.84Å; F222-I249 HydrophobicContact CE2-CD1 4.01Å; F222-I249 HydrophobicContact CE2-CG1 4.11Å; F222-I249 HydrophobicContact CG-CG1 4.39Å; F222-I249 HydrophobicContact CG-CG2 3.42Å; F222-I249 VanDerWaalsContact CG-CG2 3.42Å; F222-I249 HydrophobicContact CZ-CG1 4.46Å
223	G	88.5	Confident	86.4	Confident	72 Å²	72	50.7 Å²	50.7	74%	0.742	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	27	179	0	0	0	0	0	114.1	A219 E220	A219-G223 PolarHBondContact O-N 2.62Å; E220-G223 PolarHBondContact O-N 3.34Å; E220-G223 VanDerWaalsContact O-N 3.07Å
224	I	88.5	Confident	86.7	Confident	34 Å²	34	52.8 Å²	52.8	17%	0.174	32%	0.316	C	S	.	.			trans	-107.1	160.8	173.8	62	175.1	0	0	0	110.3	A219 F222 L229 I249	A219-I224 CarbonylContact C-O 3.57Å; A219-I224 HydrophobicContact CB-CG1 4.16Å; A219-I224 WeakPolarHBondContact CB-O 3.48Å; A219-I224 PolarHBondContact O-N 3.16Å; A219-I224 VanDerWaalsContact O-O 3.05Å; F222-I224 VanDerWaalsContact C-N 3.28Å; F222-I224 HydrophobicContact CB-CG1 4.4Å; F222-I224 PolarHBondContact O-N 2.77Å; I224-L229 HydrophobicContact CD1-CB 3.75Å; I224-L229 HydrophobicContact CD1-CD1 3.89Å; I224-L229 HydrophobicContact CD1-CG 4.28Å; I224-L229 HydrophobicContact CG1-CB 4.42Å; I224-I249 HydrophobicContact CD1-CG2 3.83Å
225	S	87	Confident	87.1	Confident	67 Å²	67	55.8 Å²	55.8	47%	0.469	33%	0.327	S	S	.	.			trans	-78.5	153.7	173.3	68.2	0	0	0	0	110.8	D227 Q228 L229	S225-D227 VanDerWaalsContact C-N 3.26Å; S225-D227 PolarHBondContact O-N 2.93Å; S225-Q228 PolarHBondContact O-N 2.76Å; S225-Q228 VanDerWaalsContact OG-CB 3.24Å; S225-Q228 WeakPolarHBondContact OG-CB 3.35Å; S225-Q228 PolarHBondContact OG-N 3.26Å; S225-Q228 VanDerWaalsContact OG-N 3.08Å; S225-L229 PolarHBondContact O-N 2.93Å
226	V	84.4	Confident	86.8	Confident	42 Å²	42	57.8 Å²	57.8	26%	0.255	34%	0.343	S	S	.	.	H	α-helix	trans	-58.3	-41.9	172.5	170.1	0	0	0	0	110.9	I215 W216 A219 Q228 L229 L230	I215-V226 HydrophobicContact CG2-CG1 3.92Å; W216-V226 HydrophobicContact CB-CG2 4.11Å; W216-V226 HydrophobicContact CG-CG2 4.15Å; A219-V226 HydrophobicContact CB-CG2 3.84Å; V226-Q228 VanDerWaalsContact C-N 3.3Å; V226-Q228 PolarHBondContact O-N 3.43Å; V226-L229 PolarHBondContact O-N 3.43Å; V226-L230 HydrophobicContact CG1-CD1 3.78Å; V226-L230 HydrophobicContact CG1-CG 4.08Å; V226-L230 WeakPolarHBondContact O-CB 3.5Å; V226-L230 VanDerWaalsContact O-CG 3.24Å; V226-L230 WeakPolarHBondContact O-CG 3.24Å; V226-L230 PolarHBondContact O-N 3.45Å
227	D	85.9	Confident	86.1	Confident	125 Å²	125	58.9 Å²	58.9	67%	0.668	36%	0.362	S	S	*	.	H	α-helix	trans	-60.9	-39.1	177.8	-65.1	-21.3	0	0	0	112.2	S225 A231	S225-D227 VanDerWaalsContact C-N 3.26Å; S225-D227 PolarHBondContact O-N 2.93Å; D227-A231 VanDerWaalsContact O-CB 3.24Å; D227-A231 WeakPolarHBondContact O-CB 3.44Å; D227-A231 PolarHBondContact O-N 3.01Å
228	Q	89.6	Confident	85.5	Confident	81 Å²	81	63.5 Å²	63.5	38%	0.379	38%	0.382	S	S	.	.	H	α-helix	trans	-66	-48	175.6	-178	61.7	34.7	0	0	110.7	S225 V226 L230 A231 D232	S225-Q228 PolarHBondContact O-N 2.76Å; S225-Q228 VanDerWaalsContact OG-CB 3.24Å; S225-Q228 WeakPolarHBondContact OG-CB 3.35Å; S225-Q228 PolarHBondContact OG-N 3.26Å; S225-Q228 VanDerWaalsContact OG-N 3.08Å; V226-Q228 VanDerWaalsContact C-N 3.3Å; V226-Q228 PolarHBondContact O-N 3.43Å; Q228-L230 VanDerWaalsContact C-N 3.32Å; Q228-L230 PolarHBondContact O-N 3.4Å; Q228-A231 PolarHBondContact O-N 3.15Å; Q228-D232 PolarHBondContact NE2-OD1 3.41Å; Q228-D232 PolarHBondContact NE2-OD2 3.36Å; Q228-D232 WeakPolarHBondContact O-CB 3.47Å; Q228-D232 VanDerWaalsContact O-CG 3.3Å; Q228-D232 PolarHBondContact O-N 3.07Å
229	L	90.6	Very high	84.8	Confident	1 Å²	1	65 Å²	65	1%	0.005	39%	0.392	C	S	.	.	H	α-helix	trans	-59.8	-42.7	178.5	179.5	58.5	0	0	0	111.9	I215 I218 A219 I224 S225 V226 N233 I247 V248 I249	I215-L229 HydrophobicContact CG2-CD2 3.79Å; I215-L229 HydrophobicContact CG2-CG 4.36Å; I215-L229 WeakPolarHBondContact O-CD2 3.48Å; I218-L229 HydrophobicContact CB-CD2 4.15Å; I218-L229 HydrophobicContact CG2-CD2 3.73Å; A219-L229 HydrophobicContact CB-CB 4.48Å; A219-L229 HydrophobicContact CB-CD2 3.98Å; I224-L229 HydrophobicContact CD1-CB 3.75Å; I224-L229 HydrophobicContact CD1-CD1 3.89Å; I224-L229 HydrophobicContact CD1-CG 4.28Å; I224-L229 HydrophobicContact CG1-CB 4.42Å; S225-L229 PolarHBondContact O-N 2.93Å; V226-L229 PolarHBondContact O-N 3.43Å; L229-N233 WeakPolarHBondContact CD1-ND2 2.94Å; L229-N233 PolarHBondContact O-N 3.02Å; L229-N233 PolarHBondContact O-ND2 3.35Å; L229-I247 HydrophobicContact CD1-CD1 4.19Å; L229-V248 WeakPolarHBondContact CD1-O 3.34Å; L229-I249 HydrophobicContact CD1-CD1 3.81Å
230	L	88	Confident	84.3	Confident	12 Å²	12	69 Å²	69	6%	0.063	42%	0.416	C	S	.	.	H	α-helix	trans	-64.1	-47.1	176	-70.5	175.9	0	0	0	111	I215 V226 Q228 D232 N233 G234 W235 S236	I215-L230 HydrophobicContact CD1-CD2 3.83Å; I215-L230 HydrophobicContact CG2-CD2 4.05Å; I215-L230 HydrophobicContact CG2-CG 4.34Å; V226-L230 HydrophobicContact CG1-CD1 3.78Å; V226-L230 HydrophobicContact CG1-CG 4.08Å; V226-L230 WeakPolarHBondContact O-CB 3.5Å; V226-L230 VanDerWaalsContact O-CG 3.24Å; V226-L230 WeakPolarHBondContact O-CG 3.24Å; V226-L230 PolarHBondContact O-N 3.45Å; Q228-L230 VanDerWaalsContact C-N 3.32Å; Q228-L230 PolarHBondContact O-N 3.4Å; L230-D232 PolarHBondContact O-N 2.82Å; L230-N233 CarbonylContact O-C 3.51Å; L230-N233 PolarHBondContact O-N 2.74Å; L230-G234 PolarHBondContact O-N 2.78Å; L230-W235 HydrophobicContact CB-CB 4.37Å; L230-W235 HydrophobicContact CD2-CB 3.68Å; L230-W235 HydrophobicContact CD2-CE3 4.33Å; L230-W235 PolarHBondContact O-N 3.11Å; L230-S236 WeakPolarHBondContact CD2-O 3.25Å
231	A	88.6	Confident	84.1	Confident	68 Å²	68	63.3 Å²	63.3	56%	0.562	39%	0.39	S	S	*	.	H	α-helix	trans	-61.3	-43.7	179.6	0	0	0	0	0	112.3	D227 Q228 N233 G234	D227-A231 VanDerWaalsContact O-CB 3.24Å; D227-A231 WeakPolarHBondContact O-CB 3.44Å; D227-A231 PolarHBondContact O-N 3.01Å; Q228-A231 PolarHBondContact O-N 3.15Å; A231-N233 PolarHBondContact O-N 2.96Å; A231-G234 PolarHBondContact O-N 3.01Å; A231-G234 VanDerWaalsContact O-N 3.14Å
232	D	90.8	Very high	83.6	Confident	54 Å²	54	61.6 Å²	61.6	29%	0.289	39%	0.385	S	S	.	.	H	α-helix	trans	-65.1	-25	-179.8	-72.6	-21.1	0	0	0	112.8	Q228 L230 V248	Q228-D232 PolarHBondContact NE2-OD1 3.41Å; Q228-D232 PolarHBondContact NE2-OD2 3.36Å; Q228-D232 WeakPolarHBondContact O-CB 3.47Å; Q228-D232 VanDerWaalsContact O-CG 3.3Å; Q228-D232 PolarHBondContact O-N 3.07Å; L230-D232 PolarHBondContact O-N 2.82Å; D232-V248 HydrophobicContact CB-CB 4.35Å; D232-V248 HydrophobicContact CB-CG1 4.29Å
233	N	91.6	Very high	82.8	Confident	29 Å²	29	60.9 Å²	60.9	16%	0.155	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	4	177.6	-68.3	-81.1	0	0	0	113.8	L229 L230 A231 W235 I247 V248	L229-N233 WeakPolarHBondContact CD1-ND2 2.94Å; L229-N233 PolarHBondContact O-N 3.02Å; L229-N233 PolarHBondContact O-ND2 3.35Å; L230-N233 CarbonylContact O-C 3.51Å; L230-N233 PolarHBondContact O-N 2.74Å; A231-N233 PolarHBondContact O-N 2.96Å; N233-W235 HydrophobicContact CB-CD2 3.45Å; N233-W235 VanDerWaalsContact CB-CD2 3.45Å; N233-W235 HydrophobicContact CB-CE3 3.61Å; N233-W235 HydrophobicContact CB-CG 3.9Å; N233-W235 HydrophobicContact CB-CH2 4.36Å; N233-W235 HydrophobicContact CB-CZ2 4.16Å; N233-W235 HydrophobicContact CB-CZ3 4.06Å; N233-W235 PolarHBondContact O-N 3.19Å; N233-W235 PolarHBondContact O-NE1 3.2Å; N233-I247 VanDerWaalsContact OD1-CA 3.24Å; N233-I247 WeakPolarHBondContact OD1-CA 3.25Å; N233-I247 WeakPolarHBondContact OD1-CB 3.37Å; N233-V248 PolarHBondContact ND2-O 2.96Å; N233-V248 PolarHBondContact OD1-N 3.14Å
234	G	88.5	Confident	82.5	Confident	72 Å²	72	59.8 Å²	59.8	74%	0.742	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	31.5	-178	0	0	0	0	0	113.3	L230 A231	L230-G234 PolarHBondContact O-N 2.78Å; A231-G234 PolarHBondContact O-N 3.01Å; A231-G234 VanDerWaalsContact O-N 3.14Å
235	W	87.2	Confident	82.5	Confident	71 Å²	71	60.9 Å²	60.9	27%	0.269	38%	0.383	S	S	.	.			trans	-103.9	158.1	-175.3	-68.4	-14.8	0	0	0	112.6	I215 L230 N233 S239 I241 I247	I215-W235 HydrophobicContact CD1-CE3 4.43Å; L230-W235 HydrophobicContact CB-CB 4.37Å; L230-W235 HydrophobicContact CD2-CB 3.68Å; L230-W235 HydrophobicContact CD2-CE3 4.33Å; L230-W235 PolarHBondContact O-N 3.11Å; N233-W235 HydrophobicContact CB-CD2 3.45Å; N233-W235 VanDerWaalsContact CB-CD2 3.45Å; N233-W235 HydrophobicContact CB-CE3 3.61Å; N233-W235 HydrophobicContact CB-CG 3.9Å; N233-W235 HydrophobicContact CB-CH2 4.36Å; N233-W235 HydrophobicContact CB-CZ2 4.16Å; N233-W235 HydrophobicContact CB-CZ3 4.06Å; N233-W235 PolarHBondContact O-N 3.19Å; N233-W235 PolarHBondContact O-NE1 3.2Å; W235-S239 WeakPolarHBondContact CB-OG 3.38Å; W235-I241 HydrophobicContact CE3-CG2 4.22Å; W235-I241 HydrophobicContact CH2-CB 4.5Å; W235-I241 HydrophobicContact CH2-CG2 3.33Å; W235-I241 HydrophobicContact CZ2-CG2 4.38Å; W235-I241 HydrophobicContact CZ3-CG2 3.27Å; W235-I247 HydrophobicContact CH2-CB 4.2Å; W235-I247 HydrophobicContact CH2-CG2 3.18Å; W235-I247 HydrophobicContact CZ2-CG2 4.04Å; W235-I247 HydrophobicContact CZ3-CB 4.49Å; W235-I247 HydrophobicContact CZ3-CG2 3.79Å
236	S	77.2	Confident	82.7	Confident	63 Å²	63	62.1 Å²	62.1	44%	0.441	39%	0.388	S	S	.	.			trans	-105.5	167.9	172.1	45.1	0	0	0	0	110.9	L230 D238 S239	L230-S236 WeakPolarHBondContact CD2-O 3.25Å; S236-D238 WeakPolarHBondContact CB-OD1 3.48Å; S236-D238 PolarHBondContact O-N 3.15Å; S236-D238 VanDerWaalsContact O-N 3.1Å; S236-D238 PolarHBondContact OG-OD1 3.13Å; S236-S239 PolarHBondContact N-OG 3.03Å; S236-S239 WeakPolarHBondContact O-CB 3.31Å; S236-S239 PolarHBondContact O-N 3.31Å; S236-S239 PolarHBondContact O-OG 2.94Å; S236-S239 PolarHBondContact OG-OG 3.24Å
237	S	68.8	Low	83.1	Confident	101 Å²	101	60.1 Å²	60.1	71%	0.706	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-12.6	-177.1	52.1	0	0	0	0	115.1
238	D	66.6	Low	83.4	Confident	120 Å²	120	56.9 Å²	56.9	64%	0.642	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	0.3	173	63.5	-23.2	0	0	0	113.2	S236	S236-D238 WeakPolarHBondContact CB-OD1 3.48Å; S236-D238 PolarHBondContact O-N 3.15Å; S236-D238 VanDerWaalsContact O-N 3.1Å; S236-D238 PolarHBondContact OG-OD1 3.13Å
239	S	71.4	Confident	83.4	Confident	31 Å²	31	53.2 Å²	53.2	22%	0.217	34%	0.343	C	S	.	.			trans	-66.6	137.1	177.3	-63.5	0	0	0	0	110.7	I215 W235 S236	I215-S239 VanDerWaalsContact CD1-O 3.25Å; I215-S239 WeakPolarHBondContact CD1-O 3.21Å; W235-S239 WeakPolarHBondContact CB-OG 3.38Å; S236-S239 PolarHBondContact N-OG 3.03Å; S236-S239 WeakPolarHBondContact O-CB 3.31Å; S236-S239 PolarHBondContact O-N 3.31Å; S236-S239 PolarHBondContact O-OG 2.94Å; S236-S239 PolarHBondContact OG-OG 3.24Å
240	T	76.8	Confident	83.1	Confident	86 Å²	86	55.8 Å²	55.8	53%	0.528	36%	0.36	S	S	.	.			trans	-109.8	139.7	178.1	-51.9	0	0	0	0	109	Y136 M242	Y136-T240 HydrophobicContact CD2-CG2 4.2Å; Y136-T240 HydrophobicContact CE2-CG2 3.94Å; T240-M242 HydrophobicContact CG2-CE 3.77Å
241	I	79.3	Confident	82.8	Confident	7 Å²	7	58.1 Å²	58.1	4%	0.036	38%	0.375	C	S	.	.			trans	-101.8	146.8	174.3	62.3	177.3	0	0	0	111	Y136 V209 D213 I215 I218 W235	Y136-I241 WeakPolarHBondContact CE2-O 3.41Å; V209-I241 HydrophobicContact CG1-CB 4.27Å; V209-I241 HydrophobicContact CG1-CD1 3.78Å; V209-I241 HydrophobicContact CG1-CG1 4.06Å; V209-I241 HydrophobicContact CG2-CB 4.26Å; V209-I241 HydrophobicContact CG2-CD1 4.11Å; D213-I241 HydrophobicContact CB-CD1 4.42Å; I215-I241 HydrophobicContact CD1-CG2 3.99Å; I215-I241 HydrophobicContact CG1-CD1 4.03Å; I215-I241 HydrophobicContact CG1-CG1 4.22Å; I215-I241 HydrophobicContact CG1-CG2 3.62Å; I218-I241 HydrophobicContact CD1-CD1 3.46Å; I218-I241 VanDerWaalsContact CD1-CD1 3.46Å; W235-I241 HydrophobicContact CE3-CG2 4.22Å; W235-I241 HydrophobicContact CH2-CB 4.5Å; W235-I241 HydrophobicContact CH2-CG2 3.33Å; W235-I241 HydrophobicContact CZ2-CG2 4.38Å; W235-I241 HydrophobicContact CZ3-CG2 3.27Å
242	M	75.1	Confident	82.5	Confident	80 Å²	80	57.6 Å²	57.6	39%	0.394	37%	0.365	S	S	.	.			trans	-116.1	143.4	179.3	-58.8	-73.1	153.5	0	0	110	Y136 V209 T240 G244 D245	Y136-M242 HydrophobicContact CE2-CE 4.03Å; Y136-M242 HydrophobicContact CE2-SD 3.99Å; Y136-M242 PolarHBondContact OH-SD 2.95Å; V209-M242 WeakPolarHBondContact CB-O 3.38Å; V209-M242 WeakPolarHBondContact CG1-O 3.38Å; T240-M242 HydrophobicContact CG2-CE 3.77Å; M242-G244 PolarHBondContact O-N 2.82Å; M242-D245 WeakPolarHBondContact CB-OD2 3.48Å; M242-D245 PolarHBondContact N-OD2 3.24Å; M242-D245 WeakPolarHBondContact O-CB 3.29Å; M242-D245 VanDerWaalsContact O-CG 3.22Å; M242-D245 PolarHBondContact O-N 2.74Å
243	P	74.8	Confident	82	Confident	62 Å²	62	57.8 Å²	57.8	40%	0.403	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	128.7	170.4	-27.1	36.8	0	0	0	111.5	Y136 V209	Y136-P243 HydrophobicContact CE1-CG 4.48Å; V209-P243 CarbonylContact O-C 3.59Å; V209-P243 WeakPolarHBondContact O-CA 3.47Å
244	G	82.7	Confident	81.4	Confident	50 Å²	50	59.6 Å²	59.6	52%	0.515	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.1	-15.1	-172.6	0	0	0	0	0	114.3	V209 M242 T246	V209-G244 PolarHBondContact O-N 2.85Å; M242-G244 PolarHBondContact O-N 2.82Å; G244-T246 PolarHBondContact O-N 3.37Å
245	D	87.3	Confident	80.9	Confident	56 Å²	56	58.7 Å²	58.7	30%	0.299	36%	0.359	S	S	.	.			trans	-60.1	136	172.3	-72.9	-10.7	0	0	0	109.7	T208 V209 M242 I247	T208-D245 CarbonylContact C-O 3.54Å; T208-D245 VanDerWaalsContact CA-O 3.31Å; T208-D245 WeakPolarHBondContact CA-O 3.39Å; V209-D245 HydrophobicContact CB-CB 4.25Å; V209-D245 HydrophobicContact CG2-CB 3.98Å; V209-D245 WeakPolarHBondContact CG2-O 3.09Å; V209-D245 PolarHBondContact N-O 3.18Å; M242-D245 WeakPolarHBondContact CB-OD2 3.48Å; M242-D245 PolarHBondContact N-OD2 3.24Å; M242-D245 WeakPolarHBondContact O-CB 3.29Å; M242-D245 VanDerWaalsContact O-CG 3.22Å; M242-D245 PolarHBondContact O-N 2.74Å; D245-I247 HydrophobicContact CB-CG2 4.45Å
246	T	92	Very high	80.5	Confident	93 Å²	93	57.9 Å²	57.9	57%	0.571	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	120.1	173.4	-58	0	0	0	0	108.3	Y207 G244	Y207-T246 WeakPolarHBondContact O-CA 3.49Å; G244-T246 PolarHBondContact O-N 3.37Å
247	I	92.3	Very high	80.7	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.005	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	151.1	-175.4	68.1	-179.6	0	0	0	110.2	S206 Y207 V209 I218 L229 N233 W235 D245 I249	S206-I247 CarbonylContact C-O 3.36Å; S206-I247 VanDerWaalsContact CA-O 3.29Å; S206-I247 WeakPolarHBondContact CA-O 3.22Å; Y207-I247 HydrophobicContact CD1-CD1 3.92Å; Y207-I247 HydrophobicContact CD1-CG1 4.13Å; Y207-I247 PolarHBondContact N-O 3.5Å; Y207-I247 WeakPolarHBondContact O-CG1 3.17Å; Y207-I247 PolarHBondContact O-N 2.95Å; V209-I247 HydrophobicContact CG2-CD1 3.97Å; V209-I247 HydrophobicContact CG2-CG1 4.37Å; V209-I247 HydrophobicContact CG2-CG2 3.8Å; I218-I247 HydrophobicContact CD1-CD1 3.72Å; I218-I247 HydrophobicContact CG2-CD1 3.66Å; L229-I247 HydrophobicContact CD1-CD1 4.19Å; N233-I247 VanDerWaalsContact OD1-CA 3.24Å; N233-I247 WeakPolarHBondContact OD1-CA 3.25Å; N233-I247 WeakPolarHBondContact OD1-CB 3.37Å; W235-I247 HydrophobicContact CH2-CB 4.2Å; W235-I247 HydrophobicContact CH2-CG2 3.18Å; W235-I247 HydrophobicContact CZ2-CG2 4.04Å; W235-I247 HydrophobicContact CZ3-CB 4.49Å; W235-I247 HydrophobicContact CZ3-CG2 3.79Å; D245-I247 HydrophobicContact CB-CG2 4.45Å; I247-I249 HydrophobicContact CD1-CD1 3.67Å; I247-I249 HydrophobicContact CG1-CD1 3.73Å
248	V	92.2	Very high	81.7	Confident	57 Å²	57	53.8 Å²	53.8	35%	0.345	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	128.8	171.8	-174.3	0	0	0	0	108.5	Q205 L229 D232 N233	Q205-V248 CarbonylContact O-C 3.5Å; Q205-V248 WeakPolarHBondContact O-CA 3.38Å; L229-V248 WeakPolarHBondContact CD1-O 3.34Å; D232-V248 HydrophobicContact CB-CB 4.35Å; D232-V248 HydrophobicContact CB-CG1 4.29Å; N233-V248 PolarHBondContact ND2-O 2.96Å; N233-V248 PolarHBondContact OD1-N 3.14Å
249	I	90.2	Very high	83.1	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.015	30%	0.303	C	S	.	.			trans	-106.2	0	172.2	-49.7	-58.1	0	0	0	107.8	A202 S203 G204 Q205 I218 F222 I224 L229 I247	A202-I249 CarbonylContact O-C 3.39Å; S203-I249 CarbonylContact C-O 3.47Å; S203-I249 WeakPolarHBondContact CA-O 3.44Å; G204-I249 PolarHBondContact N-O 3.37Å; Q205-I249 HydrophobicContact CB-CB 4.37Å; Q205-I249 PolarHBondContact N-O 3.4Å; Q205-I249 VanDerWaalsContact N-O 3.13Å; Q205-I249 PolarHBondContact O-N 3.39Å; I218-I249 HydrophobicContact CG2-CD1 3.58Å; F222-I249 HydrophobicContact CB-CG2 3.39Å; F222-I249 HydrophobicContact CD1-CG2 3.83Å; F222-I249 HydrophobicContact CD2-CD1 3.83Å; F222-I249 HydrophobicContact CD2-CG1 4.06Å; F222-I249 HydrophobicContact CD2-CG2 3.84Å; F222-I249 HydrophobicContact CE2-CD1 4.01Å; F222-I249 HydrophobicContact CE2-CG1 4.11Å; F222-I249 HydrophobicContact CG-CG1 4.39Å; F222-I249 HydrophobicContact CG-CG2 3.42Å; F222-I249 VanDerWaalsContact CG-CG2 3.42Å; F222-I249 HydrophobicContact CZ-CG1 4.46Å; I224-I249 HydrophobicContact CD1-CG2 3.83Å; L229-I249 HydrophobicContact CD1-CD1 3.81Å; I247-I249 HydrophobicContact CD1-CD1 3.67Å; I247-I249 HydrophobicContact CG1-CD1 3.73Å

Retrieved 249 of 249 residues in 1808.1 ms (Link to these results)

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