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Lactose synthase B protein

Regulatory subunit of lactose synthase, changes the substrate specificity of galactosyltransferase in the mammary gland making glucose a good acceptor substrate for this enzyme. This enables LS to synthesize lactose, the major carbohydrate component of milk. In other tissues, galactosyltransferase transfers galactose onto the N-acetylglucosamine of the oligosaccharide chains in glycoproteins.

AlphaFold DB , UniProt , Accession A0A077S9S6, Species PROCA (Procavia capensis, Rock hyrax), Gene LYZG, Length 142 aa.

						>A0A077S9S6_PROCA|A0A077S9S6|LYZG
MMSFIPLLLVGILIPAIQARQLTKCEVSQVLKDMNGYAGIIMSELICTVFHSSAFDTQAIVNNSDSTEYGLFQISNKLWCRDHQIPQSRNICGISCDKFVDDDITDDIMCAKKILDSEGIDYWPAHRPLCSEKLEQWQCEKP
					

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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	43.5	Very low	57	Low	246 Å²	246	145.5 Å²	145.5	100%	1.212	81%	0.805	S	S	*	*				0	95.4	0	-151.8	166.1	75.9	0	0	106.5
2	M	44.1	Very low	57.6	Low	162 Å²	162	145.3 Å²	145.3	80%	0.798	80%	0.799	S	S	*	*			trans	-92	113.4	-175.9	-82.4	155	76.1	0	0	108.7	F4	M2-F4 HydrophobicContact CB-CE2 4.17Å; M2-F4 HydrophobicContact CE-CZ 4.38Å
3	S	54.2	Low	57.7	Low	113 Å²	113	147.1 Å²	147.1	79%	0.79	81%	0.805	S	S	*	*			trans	-84.5	121.9	175.5	-169.9	0	0	0	0	108.7
4	F	54.3	Low	58.1	Low	177 Å²	177	146.4 Å²	146.4	78%	0.776	80%	0.798	S	S	*	*			trans	-100.5	114	175.6	-69.9	-85.8	0	0	0	108.7	M2	M2-F4 HydrophobicContact CB-CE2 4.17Å; M2-F4 HydrophobicContact CE-CZ 4.38Å
5	I	62.3	Low	58.2	Low	145 Å²	145	143.8 Å²	143.8	74%	0.744	79%	0.791	S	S	*	*			trans	-91.6	124.1	172.5	-58.9	174.8	0	0	0	107.4	L7	I5-L7 PolarHBondContact O-N 3.43Å
6	P	59.3	Low	58.1	Low	113 Å²	113	140.8 Å²	140.8	73%	0.734	79%	0.791	S	S	*	*			trans	-78.1	117.9	177.2	31.2	-29.5	0	0	0	109.2	L8	P6-L8 PolarHBondContact O-N 2.03Å
7	L	59	Low	58.2	Low	156 Å²	156	140.6 Å²	140.6	82%	0.817	79%	0.786	S	S	*	*			trans	-74.2	102.3	173.9	-133	107.8	0	0	0	108.4	I5 L9	I5-L7 PolarHBondContact O-N 3.43Å; L7-L9 PolarHBondContact O-N 3.23Å
8	L	59.6	Low	58.3	Low	155 Å²	155	142.3 Å²	142.3	81%	0.812	79%	0.787	S	S	*	*			trans	-78.8	98.7	175.9	-128.1	144.9	0	0	0	108.4	P6 V10	P6-L8 PolarHBondContact O-N 2.03Å; L8-V10 HydrophobicContact CD2-CG2 4.44Å; L8-V10 PolarHBondContact O-N 3.11Å; L8-V10 VanDerWaalsContact O-N 3.11Å
9	L	60.8	Low	58.6	Low	154 Å²	154	138 Å²	138	81%	0.806	77%	0.772	S	S	*	*			trans	-72.6	96.3	171.7	-101.9	126.8	0	0	0	109	L7 G11	L7-L9 PolarHBondContact O-N 3.23Å; L9-G11 PolarHBondContact O-N 3.21Å
10	V	64.5	Low	59.7	Low	116 Å²	116	136 Å²	136	70%	0.703	75%	0.751	S	S	*	*			trans	-77.2	99.6	165.7	178	0	0	0	0	107.2	L8 I12	L8-V10 HydrophobicContact CD2-CG2 4.44Å; L8-V10 PolarHBondContact O-N 3.11Å; L8-V10 VanDerWaalsContact O-N 3.11Å; V10-I12 PolarHBondContact O-N 3.18Å
11	G	65.3	Low	61.1	Low	64 Å²	64	135.7 Å²	135.7	66%	0.66	75%	0.745	S	S	*	*			trans	-70.8	109.6	171.7	0	0	0	0	0	109.8	L9 L13	L9-G11 PolarHBondContact O-N 3.21Å; G11-L13 PolarHBondContact O-N 3.37Å; G11-L13 VanDerWaalsContact O-N 3.12Å
12	I	64.5	Low	63.4	Low	143 Å²	143	124.5 Å²	124.5	73%	0.733	69%	0.689	S	S	*	*			trans	-70.9	104.5	170.6	-59.1	174.2	0	0	0	107.1	V10 I14	V10-I12 PolarHBondContact O-N 3.18Å; I12-I14 HydrophobicContact CG2-CG1 3.73Å; I12-I14 PolarHBondContact O-N 3.19Å; I12-I14 VanDerWaalsContact O-N 3.11Å
13	L	58.8	Low	65.8	Low	168 Å²	168	120.4 Å²	120.4	88%	0.88	67%	0.674	S	S	*	*			trans	-72	94.7	163.5	-88.5	138.6	0	0	0	107.1	G11 P15	G11-L13 PolarHBondContact O-N 3.37Å; G11-L13 VanDerWaalsContact O-N 3.12Å; L13-P15 VanDerWaalsContact O-CD 3.22Å; L13-P15 WeakPolarHBondContact O-CD 3.3Å
14	I	62.8	Low	67.8	Low	138 Å²	138	118.2 Å²	118.2	71%	0.708	65%	0.65	S	S	*	*			trans	-77.1	112.1	164.5	-54.1	177.9	0	0	0	105.4	I12 A16	I12-I14 HydrophobicContact CG2-CG1 3.73Å; I12-I14 PolarHBondContact O-N 3.19Å; I12-I14 VanDerWaalsContact O-N 3.11Å; I14-A16 PolarHBondContact O-N 3.33Å; I14-A16 VanDerWaalsContact O-N 3.07Å
15	P	59.3	Low	69.7	Low	107 Å²	107	111.6 Å²	111.6	70%	0.695	63%	0.625	S	S	*	*			trans	-61.5	116.9	167.6	25.8	-30.3	0	0	0	106.8	L13 I17	L13-P15 VanDerWaalsContact O-CD 3.22Å; L13-P15 WeakPolarHBondContact O-CD 3.3Å; P15-I17 PolarHBondContact O-N 3.37Å
16	A	56.8	Low	71.2	Confident	95 Å²	95	108.6 Å²	108.6	79%	0.785	61%	0.608	S	S	*	*			trans	-66.3	103.5	168.8	0	0	0	0	0	106.7	I14 Q18	I14-A16 PolarHBondContact O-N 3.33Å; I14-A16 VanDerWaalsContact O-N 3.07Å; A16-Q18 VanDerWaalsContact C-N 3.27Å; A16-Q18 PolarHBondContact O-N 3.03Å
17	I	60.4	Low	72.9	Confident	139 Å²	139	103.2 Å²	103.2	71%	0.713	57%	0.573	S	S	*	*			trans	-69.8	96.9	165.2	-61.6	172.4	0	0	0	104.6	P15 A19	P15-I17 PolarHBondContact O-N 3.37Å; I17-A19 PolarHBondContact O-N 3.41Å
18	Q	59.3	Low	74.6	Confident	171 Å²	171	96.7 Å²	96.7	80%	0.799	54%	0.54	S	S	*	.			trans	-73.1	113.8	172.8	-170.2	169.7	-15	0	0	106.5	A16 R20 Q58	A16-Q18 VanDerWaalsContact C-N 3.27Å; A16-Q18 PolarHBondContact O-N 3.03Å; Q18-R20 PolarHBondContact O-N 3.45Å; Q18-Q58 PolarHBondContact O-NE2 3.47Å
19	A	64.7	Low	76.3	Confident	60 Å²	60	95.7 Å²	95.7	50%	0.496	53%	0.532	S	S	.	.			trans	-56.9	123	170.9	0	0	0	0	0	108.3	I17 Q21	I17-A19 PolarHBondContact O-N 3.41Å; A19-Q21 PolarHBondContact O-N 2.86Å
20	R	80.4	Confident	77.8	Confident	98 Å²	98	91.8 Å²	91.8	37%	0.37	51%	0.514	S	S	.	.			trans	-88.9	95.3	-175.7	-172.6	175.5	179.2	-165.9	-7.1	109.8	Q18 L22 T57 Q58 D102	Q18-R20 PolarHBondContact O-N 3.45Å; R20-L22 HydrophobicContact CG-CD2 4.23Å; R20-T57 PolarHBondContact O-N 3.07Å; R20-Q58 VanDerWaalsContact N-NE2 3.17Å; R20-D102 WeakPolarHBondContact CB-OD1 3.47Å; R20-D102 WeakPolarHBondContact CD-OD1 3.45Å; R20-D102 VanDerWaalsContact NH1-CB 3.31Å; R20-D102 PolarHBondContact NH1-O 3.08Å; R20-D102 IonicContact NH1-OD1 3.87Å
21	Q	89.4	Confident	79.2	Confident	130 Å²	130	86.2 Å²	86.2	61%	0.607	48%	0.48	S	S	*	.	B	Isolated β-bridge	trans	-92.9	117	169.6	-168.2	168.7	21.4	0	0	109.8	A19 A54	A19-Q21 PolarHBondContact O-N 2.86Å; Q21-A54 PolarHBondContact NE2-O 3.06Å
22	L	91.6	Very high	80.4	Confident	10 Å²	10	90.2 Å²	90.2	5%	0.052	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-80.5	152.6	178.4	-59.4	172.9	0	0	0	110.9	R20 E26 V27 F55 T57 L71 I104	R20-L22 HydrophobicContact CG-CD2 4.23Å; L22-E26 HydrophobicContact CB-CB 4.39Å; L22-E26 HydrophobicContact CD2-CB 4.42Å; L22-V27 HydrophobicContact CB-CG2 3.54Å; L22-V27 HydrophobicContact CD1-CG2 3.86Å; L22-V27 HydrophobicContact CG-CG2 4.36Å; L22-F55 HydrophobicContact CB-CB 4.16Å; L22-F55 PolarHBondContact N-O 3.33Å; L22-F55 WeakPolarHBondContact O-CB 3.27Å; L22-T57 HydrophobicContact CD1-CG2 3.84Å; L22-T57 HydrophobicContact CG-CG2 4.15Å; L22-L71 HydrophobicContact CD1-CD2 4.34Å; L22-I104 HydrophobicContact CD1-CD1 4.29Å
23	T	94.3	Very high	81.5	Confident	76 Å²	76	89.8 Å²	89.8	47%	0.466	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-83.3	159.1	169.4	64.4	0	0	0	0	111.3	C25 E26 V27	T23-C25 PolarHBondContact O-N 3.42Å; T23-C25 VanDerWaalsContact O-N 3.1Å; T23-E26 VanDerWaalsContact CB-OE2 3.31Å; T23-E26 WeakPolarHBondContact CB-OE2 3.28Å; T23-E26 VanDerWaalsContact CG2-OE2 3.31Å; T23-E26 WeakPolarHBondContact CG2-OE2 3.43Å; T23-E26 PolarHBondContact N-OE2 2.96Å; T23-E26 PolarHBondContact O-N 3.23Å; T23-E26 VanDerWaalsContact O-N 3.1Å; T23-E26 VanDerWaalsContact OG1-CG 3.31Å; T23-E26 WeakPolarHBondContact OG1-CG 3.34Å; T23-E26 PolarHBondContact OG1-N 2.99Å; T23-E26 PolarHBondContact OG1-OE2 2.98Å; T23-V27 WeakPolarHBondContact O-CG2 2.96Å; T23-V27 PolarHBondContact O-N 3.18Å
24	K	95.2	Very high	83	Confident	68 Å²	68	82 Å²	82	30%	0.296	44%	0.438	S	S	.	.	H	α-helix	trans	-46.7	-42.6	173.1	-178.6	179.4	61	164.1	0	112.7	S28 I46 F55 Q136 W137 Q138	K24-S28 WeakPolarHBondContact O-CB 3.32Å; K24-S28 PolarHBondContact O-N 2.83Å; K24-S28 PolarHBondContact O-OG 3.27Å; K24-I46 HydrophobicContact CG-CG2 3.84Å; K24-F55 HydrophobicContact CB-CE2 3.99Å; K24-F55 HydrophobicContact CB-CZ 4.44Å; K24-Q136 PolarHBondContact NZ-O 3.27Å; K24-W137 HydrophobicContact CD-CE3 4.4Å; K24-Q138 VanDerWaalsContact CE-O 3.31Å; K24-Q138 WeakPolarHBondContact CE-O 3.31Å; K24-Q138 PolarHBondContact NZ-O 3.12Å
25	C	95.2	Very high	84.3	Confident	38 Å²	38	80.2 Å²	80.2	26%	0.257	43%	0.43	S	S	.	.	H	α-helix	trans	-75.4	-38	-177.7	-80.6	0	0	0	0	113.4	T23 S28 Q29 C139	T23-C25 PolarHBondContact O-N 3.42Å; T23-C25 VanDerWaalsContact O-N 3.1Å; C25-S28 PolarHBondContact O-N 3Å; C25-Q29 VanDerWaalsContact O-CG 3.3Å; C25-Q29 WeakPolarHBondContact O-CG 3.45Å; C25-Q29 PolarHBondContact O-N 3.1Å; C25-C139 WeakPolarHBondContact CA-SG 3.35Å; C25-C139 HydrophobicContact CB-CB 4.01Å; C25-C139 WeakPolarHBondContact CB-SG 3.46Å; C25-C139 WeakPolarHBondContact SG-CB 3.34Å; C25-C139 CovalentContact SG-SG 2.03Å; C25-C139 PolarHBondContact SG-SG 3.33Å
26	E	94.7	Very high	85.7	Confident	82 Å²	82	77.4 Å²	77.4	38%	0.383	42%	0.42	S	S	.	.	H	α-helix	trans	-62.5	-46.8	173.2	-73	164.8	128.1	0	0	110.7	L22 T23 S28 Q29 V30	L22-E26 HydrophobicContact CB-CB 4.39Å; L22-E26 HydrophobicContact CD2-CB 4.42Å; T23-E26 VanDerWaalsContact CB-OE2 3.31Å; T23-E26 WeakPolarHBondContact CB-OE2 3.28Å; T23-E26 VanDerWaalsContact CG2-OE2 3.31Å; T23-E26 WeakPolarHBondContact CG2-OE2 3.43Å; T23-E26 PolarHBondContact N-OE2 2.96Å; T23-E26 PolarHBondContact O-N 3.23Å; T23-E26 VanDerWaalsContact O-N 3.1Å; T23-E26 VanDerWaalsContact OG1-CG 3.31Å; T23-E26 WeakPolarHBondContact OG1-CG 3.34Å; T23-E26 PolarHBondContact OG1-N 2.99Å; T23-E26 PolarHBondContact OG1-OE2 2.98Å; E26-S28 VanDerWaalsContact C-N 3.34Å; E26-S28 PolarHBondContact O-N 2.72Å; E26-Q29 PolarHBondContact O-N 3.35Å; E26-Q29 VanDerWaalsContact O-N 3.12Å; E26-V30 WeakPolarHBondContact O-CG2 3.45Å; E26-V30 PolarHBondContact O-N 2.78Å
27	V	94.9	Very high	87.3	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-60.2	-44.8	175.2	-177.4	0	0	0	0	110.6	L22 T23 Q29 V30 L31 I46 V49 F55	L22-V27 HydrophobicContact CB-CG2 3.54Å; L22-V27 HydrophobicContact CD1-CG2 3.86Å; L22-V27 HydrophobicContact CG-CG2 4.36Å; T23-V27 WeakPolarHBondContact O-CG2 2.96Å; T23-V27 PolarHBondContact O-N 3.18Å; V27-Q29 PolarHBondContact O-N 3.1Å; V27-V30 PolarHBondContact O-N 2.74Å; V27-L31 HydrophobicContact CG1-CD1 3.52Å; V27-L31 HydrophobicContact CG1-CG 3.81Å; V27-L31 VanDerWaalsContact O-CB 3.32Å; V27-L31 WeakPolarHBondContact O-CB 3.38Å; V27-L31 VanDerWaalsContact O-CG 3.27Å; V27-L31 WeakPolarHBondContact O-CG 3.27Å; V27-L31 PolarHBondContact O-N 2.77Å; V27-I46 HydrophobicContact CB-CD1 4.1Å; V27-I46 HydrophobicContact CG1-CD1 3.54Å; V27-V49 HydrophobicContact CG1-CG1 4.4Å; V27-F55 HydrophobicContact CB-CD1 4.28Å; V27-F55 HydrophobicContact CB-CE1 4.29Å; V27-F55 HydrophobicContact CG1-CD1 4.24Å; V27-F55 HydrophobicContact CG1-CE1 4.15Å; V27-F55 HydrophobicContact CG2-CB 4.04Å; V27-F55 HydrophobicContact CG2-CD1 3.65Å; V27-F55 HydrophobicContact CG2-CD2 4.47Å; V27-F55 HydrophobicContact CG2-CE1 4.14Å; V27-F55 HydrophobicContact CG2-CG 3.83Å
28	S	94.7	Very high	88.7	Confident	18 Å²	18	72.4 Å²	72.4	13%	0.126	39%	0.387	C	S	.	.	H	α-helix	trans	-57.8	-35.8	176.2	-60.6	0	0	0	0	113.2	K24 C25 E26 K32	K24-S28 WeakPolarHBondContact O-CB 3.32Å; K24-S28 PolarHBondContact O-N 2.83Å; K24-S28 PolarHBondContact O-OG 3.27Å; C25-S28 PolarHBondContact O-N 3Å; E26-S28 VanDerWaalsContact C-N 3.34Å; E26-S28 PolarHBondContact O-N 2.72Å; S28-K32 PolarHBondContact O-N 2.99Å
29	Q	93.8	Very high	90.1	Very high	135 Å²	135	67.4 Å²	67.4	63%	0.631	38%	0.381	S	S	*	.	H	α-helix	trans	-73.8	-45.4	179	-74.3	175.6	5.4	0	0	111.7	C25 E26 V27 K32	C25-Q29 VanDerWaalsContact O-CG 3.3Å; C25-Q29 WeakPolarHBondContact O-CG 3.45Å; C25-Q29 PolarHBondContact O-N 3.1Å; E26-Q29 PolarHBondContact O-N 3.35Å; E26-Q29 VanDerWaalsContact O-N 3.12Å; V27-Q29 PolarHBondContact O-N 3.1Å; Q29-K32 VanDerWaalsContact O-CB 3.28Å; Q29-K32 WeakPolarHBondContact O-CB 3.08Å; Q29-K32 PolarHBondContact O-N 2.71Å
30	V	92.9	Very high	91.3	Very high	71 Å²	71	65 Å²	65	43%	0.43	36%	0.36	S	S	.	.	H	α-helix	trans	-73.3	-32.8	-177.8	-172.8	0	0	0	0	111.5	E26 V27 K32 I104 I108	E26-V30 WeakPolarHBondContact O-CG2 3.45Å; E26-V30 PolarHBondContact O-N 2.78Å; V27-V30 PolarHBondContact O-N 2.74Å; V30-K32 VanDerWaalsContact C-N 3.26Å; V30-K32 PolarHBondContact O-N 3.17Å; V30-I104 HydrophobicContact CB-CD1 3.86Å; V30-I104 HydrophobicContact CG1-CD1 3.38Å; V30-I104 HydrophobicContact CG1-CG1 3.69Å; V30-I104 HydrophobicContact CG2-CD1 4.39Å; V30-I108 HydrophobicContact CG1-CD1 3.9Å
31	L	93.7	Very high	91.9	Very high	0 Å²	0	64 Å²	64	0%	0	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-83.6	5.2	177.7	-57.6	-166	0	0	0	114	V27 D33 M34 M42 L45 I46 V49 F72 I108	V27-L31 HydrophobicContact CG1-CD1 3.52Å; V27-L31 HydrophobicContact CG1-CG 3.81Å; V27-L31 VanDerWaalsContact O-CB 3.32Å; V27-L31 WeakPolarHBondContact O-CB 3.38Å; V27-L31 VanDerWaalsContact O-CG 3.27Å; V27-L31 WeakPolarHBondContact O-CG 3.27Å; V27-L31 PolarHBondContact O-N 2.77Å; L31-D33 PolarHBondContact O-N 3.26Å; L31-M34 HydrophobicContact CD2-SD 3.99Å; L31-M34 WeakPolarHBondContact O-CA 3.01Å; L31-M34 VanDerWaalsContact O-CB 3.31Å; L31-M34 WeakPolarHBondContact O-CB 3.31Å; L31-M34 PolarHBondContact O-N 3.12Å; L31-M42 HydrophobicContact CB-SD 4.35Å; L31-M42 WeakPolarHBondContact O-CE 3.28Å; L31-L45 HydrophobicContact CB-CD2 4.37Å; L31-L45 HydrophobicContact CD1-CD2 4Å; L31-L45 HydrophobicContact CD1-CG 4.12Å; L31-I46 HydrophobicContact CD1-CD1 4.19Å; L31-V49 HydrophobicContact CD1-CG2 4.17Å; L31-F72 HydrophobicContact CD1-CE1 4.19Å; L31-F72 HydrophobicContact CD1-CZ 4.14Å; L31-F72 HydrophobicContact CD2-CE1 4.4Å; L31-F72 HydrophobicContact CD2-CE2 4.44Å; L31-F72 HydrophobicContact CD2-CZ 3.59Å; L31-I108 HydrophobicContact CD2-CD1 3.7Å; L31-I108 HydrophobicContact CD2-CG1 3.69Å
32	K	91.3	Very high	92.1	Very high	147 Å²	147	59.5 Å²	59.5	64%	0.639	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-51.9	-36	-173.9	-172.4	-179.3	177.8	-169.3	0	113.6	S28 Q29 V30 M34 N35	S28-K32 PolarHBondContact O-N 2.99Å; Q29-K32 VanDerWaalsContact O-CB 3.28Å; Q29-K32 WeakPolarHBondContact O-CB 3.08Å; Q29-K32 PolarHBondContact O-N 2.71Å; V30-K32 VanDerWaalsContact C-N 3.26Å; V30-K32 PolarHBondContact O-N 3.17Å; K32-M34 PolarHBondContact O-N 3.11Å; K32-N35 WeakPolarHBondContact O-CB 3.31Å; K32-N35 PolarHBondContact O-N 3.07Å
33	D	87.8	Confident	92.3	Very high	135 Å²	135	59.7 Å²	59.7	72%	0.722	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-79	-0.1	179.7	-64.3	-16.2	0	0	0	114	L31 K112	L31-D33 PolarHBondContact O-N 3.26Å; D33-K112 PolarHBondContact O-NZ 2.84Å
34	M	90.8	Very high	92.4	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.015	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-95.6	-7.4	168.5	-60.9	-174.5	69.8	0	0	112.3	L31 K32 G36 Y37 L45 F72 I108 A111 K112 L115	L31-M34 HydrophobicContact CD2-SD 3.99Å; L31-M34 WeakPolarHBondContact O-CA 3.01Å; L31-M34 VanDerWaalsContact O-CB 3.31Å; L31-M34 WeakPolarHBondContact O-CB 3.31Å; L31-M34 PolarHBondContact O-N 3.12Å; K32-M34 PolarHBondContact O-N 3.11Å; M34-G36 PolarHBondContact O-N 3.49Å; M34-Y37 WeakPolarHBondContact O-CB 3.31Å; M34-Y37 PolarHBondContact O-N 3.34Å; M34-L45 HydrophobicContact CB-CD2 3.59Å; M34-L45 HydrophobicContact CE-CD1 4.39Å; M34-L45 HydrophobicContact CE-CD2 3.96Å; M34-L45 HydrophobicContact CG-CD2 4.37Å; M34-L45 HydrophobicContact SD-CD2 3.95Å; M34-F72 HydrophobicContact CE-CE1 4.47Å; M34-F72 HydrophobicContact SD-CE1 4.3Å; M34-F72 HydrophobicContact SD-CZ 4.15Å; M34-I108 HydrophobicContact CG-CG2 4.06Å; M34-I108 HydrophobicContact SD-CG1 4.33Å; M34-I108 HydrophobicContact SD-CG2 3.9Å; M34-A111 HydrophobicContact CE-CB 4.13Å; M34-K112 HydrophobicContact CE-CG 4.47Å; M34-L115 HydrophobicContact CE-CD1 3.62Å
35	N	88.5	Confident	92.4	Very high	101 Å²	101	55 Å²	55	54%	0.54	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	121.9	178.6	-165.9	25.4	0	0	0	111.2	K32 Y37 M42	K32-N35 WeakPolarHBondContact O-CB 3.31Å; K32-N35 PolarHBondContact O-N 3.07Å; N35-Y37 PolarHBondContact O-N 2.99Å; N35-M42 HydrophobicContact CB-CE 3.44Å; N35-M42 VanDerWaalsContact CB-CE 3.44Å; N35-M42 PolarHBondContact OD1-N 3.04Å
36	G	88.5	Confident	92.5	Very high	48 Å²	48	53.2 Å²	53.2	50%	0.495	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	-1.6	-177.6	0	0	0	0	0	114.3	M34 A38 G39 I40	M34-G36 PolarHBondContact O-N 3.49Å; G36-A38 PolarHBondContact O-N 3.26Å; G36-G39 PolarHBondContact O-N 3.12Å; G36-G39 VanDerWaalsContact O-N 3.14Å; G36-I40 VanDerWaalsContact CA-O 3.28Å; G36-I40 WeakPolarHBondContact CA-O 3.22Å; G36-I40 PolarHBondContact N-O 3.19Å
37	Y	91.6	Very high	92.7	Very high	63 Å²	63	49.3 Å²	49.3	25%	0.247	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-62.6	132.6	172.5	-166.9	-85.5	0	0	0	109.4	M34 N35 G39 I40 K112 L115 D116	M34-Y37 WeakPolarHBondContact O-CB 3.31Å; M34-Y37 PolarHBondContact O-N 3.34Å; N35-Y37 PolarHBondContact O-N 2.99Å; Y37-G39 PolarHBondContact O-N 2.81Å; Y37-I40 PolarHBondContact O-N 2.92Å; Y37-K112 HydrophobicContact CD1-CG 4.31Å; Y37-K112 HydrophobicContact CD2-CD 4.3Å; Y37-K112 HydrophobicContact CD2-CG 4.35Å; Y37-K112 HydrophobicContact CE1-CB 4.06Å; Y37-K112 HydrophobicContact CE1-CG 4.04Å; Y37-K112 HydrophobicContact CE2-CB 4.44Å; Y37-K112 HydrophobicContact CE2-CD 3.97Å; Y37-K112 HydrophobicContact CE2-CG 4.05Å; Y37-K112 HydrophobicContact CG-CG 4.46Å; Y37-L115 HydrophobicContact CD1-CB 4.09Å; Y37-L115 HydrophobicContact CD1-CD1 3.8Å; Y37-L115 HydrophobicContact CE1-CB 3.91Å; Y37-L115 HydrophobicContact CE1-CD1 4.35Å; Y37-D116 VanDerWaalsContact CE1-OD1 3.22Å; Y37-D116 WeakPolarHBondContact CE1-OD1 3.21Å; Y37-D116 VanDerWaalsContact CZ-OD1 3.25Å; Y37-D116 PolarHBondContact OH-OD1 2.63Å; Y37-D116 PolarHBondContact OH-OD2 3.22Å
38	A	89.1	Confident	92.8	Very high	66 Å²	66	49.3 Å²	49.3	55%	0.545	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	51.1	24.1	-174	0	0	0	0	0	114.5	G36 I40 L115	G36-A38 PolarHBondContact O-N 3.26Å; A38-I40 VanDerWaalsContact C-N 3.32Å; A38-I40 HydrophobicContact CB-CD1 4.12Å; A38-I40 PolarHBondContact O-N 3.02Å; A38-L115 HydrophobicContact CB-CB 4.31Å
39	G	89.9	Confident	92.9	Very high	66 Å²	66	48.5 Å²	48.5	68%	0.68	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	78.4	7.6	-179	0	0	0	0	0	115.4	G36 Y37	G36-G39 PolarHBondContact O-N 3.12Å; G36-G39 VanDerWaalsContact O-N 3.14Å; Y37-G39 PolarHBondContact O-N 2.81Å
40	I	89.4	Confident	93.1	Very high	10 Å²	10	45.7 Å²	45.7	5%	0.051	27%	0.266	C	S	.	.			trans	-84.5	134	-176.9	-63.5	149.1	0	0	0	110.4	G36 Y37 A38 E44 L45 L115 I120	G36-I40 VanDerWaalsContact CA-O 3.28Å; G36-I40 WeakPolarHBondContact CA-O 3.22Å; G36-I40 PolarHBondContact N-O 3.19Å; Y37-I40 PolarHBondContact O-N 2.92Å; A38-I40 VanDerWaalsContact C-N 3.32Å; A38-I40 HydrophobicContact CB-CD1 4.12Å; A38-I40 PolarHBondContact O-N 3.02Å; I40-E44 HydrophobicContact CG2-CB 4.17Å; I40-L45 HydrophobicContact CG2-CB 4.06Å; I40-L115 HydrophobicContact CD1-CD1 3.97Å; I40-L115 HydrophobicContact CD1-CD2 3.2Å; I40-L115 HydrophobicContact CD1-CG 4.19Å; I40-I120 HydrophobicContact CD1-CB 3.81Å; I40-I120 HydrophobicContact CD1-CD1 3.96Å; I40-I120 HydrophobicContact CD1-CG1 4.24Å; I40-I120 HydrophobicContact CG1-CB 4.09Å; I40-I120 HydrophobicContact CG1-CD1 4.44Å; I40-I120 HydrophobicContact CG1-CG1 4.4Å; I40-I120 HydrophobicContact CG2-CD1 4.32Å
41	I	92.6	Very high	93.4	Very high	76 Å²	76	46.1 Å²	46.1	39%	0.39	26%	0.263	S	S	.	.			trans	-83.4	146.4	175.2	56.7	169	0	0	0	110.8	S43 E44 L45 L134	I41-S43 VanDerWaalsContact C-N 3.28Å; I41-S43 PolarHBondContact O-N 2.87Å; I41-E44 HydrophobicContact CD1-CG 3.77Å; I41-E44 HydrophobicContact CG1-CB 3.9Å; I41-E44 HydrophobicContact CG1-CG 3.39Å; I41-E44 WeakPolarHBondContact CG1-OE2 3.23Å; I41-E44 PolarHBondContact N-OE2 3.21Å; I41-E44 WeakPolarHBondContact O-CB 3.46Å; I41-E44 PolarHBondContact O-N 3.18Å; I41-E44 VanDerWaalsContact O-N 3.07Å; I41-L45 PolarHBondContact O-N 3.4Å; I41-L134 HydrophobicContact CD1-CD1 3.48Å; I41-L134 VanDerWaalsContact CD1-CD1 3.48Å; I41-L134 HydrophobicContact CG1-CD1 4.44Å
42	M	94.3	Very high	93.6	Very high	36 Å²	36	47.5 Å²	47.5	18%	0.177	27%	0.273	C	S	.	.	H	α-helix	trans	-51	-45	-177.1	-175.9	59.3	58.5	0	0	113.2	L31 N35 E44 L45 I46	L31-M42 HydrophobicContact CB-SD 4.35Å; L31-M42 WeakPolarHBondContact O-CE 3.28Å; N35-M42 HydrophobicContact CB-CE 3.44Å; N35-M42 VanDerWaalsContact CB-CE 3.44Å; N35-M42 PolarHBondContact OD1-N 3.04Å; M42-E44 VanDerWaalsContact C-N 3.34Å; M42-E44 PolarHBondContact O-N 3.29Å; M42-L45 PolarHBondContact O-N 3.47Å; M42-I46 HydrophobicContact CG-CG1 4.05Å; M42-I46 VanDerWaalsContact O-CG1 3.25Å; M42-I46 WeakPolarHBondContact O-CG1 3.35Å; M42-I46 PolarHBondContact O-N 2.8Å; M42-I46 HydrophobicContact SD-CD1 4.05Å; M42-I46 HydrophobicContact SD-CG1 3.89Å
43	S	95.4	Very high	93.9	Very high	15 Å²	15	41 Å²	41	11%	0.105	25%	0.246	C	C	.	.	H	α-helix	trans	-65.4	-33.2	-178.1	44.5	0	0	0	0	113.7	I41 C47 L134	I41-S43 VanDerWaalsContact C-N 3.28Å; I41-S43 PolarHBondContact O-N 2.87Å; S43-C47 VanDerWaalsContact O-CB 3.27Å; S43-C47 WeakPolarHBondContact O-CB 3.15Å; S43-C47 PolarHBondContact O-N 3.05Å; S43-L134 WeakPolarHBondContact CB-O 3.25Å
44	E	95.7	Very high	94.3	Very high	42 Å²	42	36.5 Å²	36.5	20%	0.196	23%	0.227	C	C	.	.	H	α-helix	trans	-64.7	-45.9	172.1	-74.6	169.8	171.1	0	0	110.3	I40 I41 M42 C47 T48 L134	I40-E44 HydrophobicContact CG2-CB 4.17Å; I41-E44 HydrophobicContact CD1-CG 3.77Å; I41-E44 HydrophobicContact CG1-CB 3.9Å; I41-E44 HydrophobicContact CG1-CG 3.39Å; I41-E44 WeakPolarHBondContact CG1-OE2 3.23Å; I41-E44 PolarHBondContact N-OE2 3.21Å; I41-E44 WeakPolarHBondContact O-CB 3.46Å; I41-E44 PolarHBondContact O-N 3.18Å; I41-E44 VanDerWaalsContact O-N 3.07Å; M42-E44 VanDerWaalsContact C-N 3.34Å; M42-E44 PolarHBondContact O-N 3.29Å; E44-C47 PolarHBondContact O-N 3.43Å; E44-T48 VanDerWaalsContact O-CB 3.31Å; E44-T48 WeakPolarHBondContact O-CB 3.38Å; E44-T48 PolarHBondContact O-N 3.22Å; E44-T48 PolarHBondContact O-OG1 3.28Å; E44-L134 HydrophobicContact CG-CD1 3.56Å; E44-L134 HydrophobicContact CG-CD2 4.25Å
45	L	96.4	Very high	94.7	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-46.9	179.2	-176.7	61.1	0	0	0	111.3	L31 M34 I40 I41 M42 C47 T48 V49 I120	L31-L45 HydrophobicContact CB-CD2 4.37Å; L31-L45 HydrophobicContact CD1-CD2 4Å; L31-L45 HydrophobicContact CD1-CG 4.12Å; M34-L45 HydrophobicContact CB-CD2 3.59Å; M34-L45 HydrophobicContact CE-CD1 4.39Å; M34-L45 HydrophobicContact CE-CD2 3.96Å; M34-L45 HydrophobicContact CG-CD2 4.37Å; M34-L45 HydrophobicContact SD-CD2 3.95Å; I40-L45 HydrophobicContact CG2-CB 4.06Å; I41-L45 PolarHBondContact O-N 3.4Å; M42-L45 PolarHBondContact O-N 3.47Å; L45-C47 PolarHBondContact O-N 2.91Å; L45-T48 PolarHBondContact O-N 3.33Å; L45-V49 HydrophobicContact CD1-CG2 4.17Å; L45-V49 HydrophobicContact CG-CG2 4.45Å; L45-V49 VanDerWaalsContact O-CG2 3.29Å; L45-V49 WeakPolarHBondContact O-CG2 3.47Å; L45-V49 PolarHBondContact O-N 2.9Å; L45-I120 HydrophobicContact CD1-CD1 4.41Å
46	I	97.3	Very high	95.1	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.9	-42.6	178.8	-63.5	-60.2	0	0	0	111.6	K24 V27 L31 M42 T48 F50 F55 W137	K24-I46 HydrophobicContact CG-CG2 3.84Å; V27-I46 HydrophobicContact CB-CD1 4.1Å; V27-I46 HydrophobicContact CG1-CD1 3.54Å; L31-I46 HydrophobicContact CD1-CD1 4.19Å; M42-I46 HydrophobicContact CG-CG1 4.05Å; M42-I46 VanDerWaalsContact O-CG1 3.25Å; M42-I46 WeakPolarHBondContact O-CG1 3.35Å; M42-I46 PolarHBondContact O-N 2.8Å; M42-I46 HydrophobicContact SD-CD1 4.05Å; M42-I46 HydrophobicContact SD-CG1 3.89Å; I46-T48 VanDerWaalsContact C-N 3.33Å; I46-F50 WeakPolarHBondContact O-CB 3.32Å; I46-F50 PolarHBondContact O-N 3.42Å; I46-F55 HydrophobicContact CG2-CE1 4.27Å; I46-F55 HydrophobicContact CG2-CZ 3.8Å; I46-F55 WeakPolarHBondContact O-CE1 3.4Å; I46-W137 HydrophobicContact CG2-CB 4.47Å; I46-W137 HydrophobicContact CG2-CE3 4.17Å
47	C	98	Very high	95.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.3	-45.7	172.8	176.2	0	0	0	0	111.8	S43 E44 L45 F50 H51 C130 W137	S43-C47 VanDerWaalsContact O-CB 3.27Å; S43-C47 WeakPolarHBondContact O-CB 3.15Å; S43-C47 PolarHBondContact O-N 3.05Å; E44-C47 PolarHBondContact O-N 3.43Å; L45-C47 PolarHBondContact O-N 2.91Å; C47-F50 WeakPolarHBondContact O-CB 3.25Å; C47-F50 PolarHBondContact O-N 3.02Å; C47-H51 PolarHBondContact O-CD2 3.28Å; C47-H51 PolarHBondContact O-N 3.49Å; C47-C130 HydrophobicContact CB-CB 3.61Å; C47-C130 WeakPolarHBondContact CB-SG 3.31Å; C47-C130 WeakPolarHBondContact SG-CA 3.47Å; C47-C130 WeakPolarHBondContact SG-CB 3.36Å; C47-C130 CovalentContact SG-SG 2.04Å; C47-C130 PolarHBondContact SG-SG 2.99Å; C47-W137 HydrophobicContact CB-CD2 3.73Å; C47-W137 HydrophobicContact CB-CE3 4.48Å; C47-W137 HydrophobicContact CB-CG 3.73Å; C47-W137 HydrophobicContact CB-CZ2 4.27Å; C47-W137 PolarHBondContact SG-NE1 3.29Å; C47-W137 VanDerWaalsContact SG-NE1 3.35Å
48	T	97.6	Very high	95.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.4	-49.8	-177.1	-60.5	0	0	0	0	110.5	E44 L45 I46 F50 H51 S52 I120 W123 H126 C130	E44-T48 VanDerWaalsContact O-CB 3.31Å; E44-T48 WeakPolarHBondContact O-CB 3.38Å; E44-T48 PolarHBondContact O-N 3.22Å; E44-T48 PolarHBondContact O-OG1 3.28Å; L45-T48 PolarHBondContact O-N 3.33Å; I46-T48 VanDerWaalsContact C-N 3.33Å; T48-F50 VanDerWaalsContact C-N 3.32Å; T48-F50 PolarHBondContact O-N 3Å; T48-H51 PolarHBondContact O-N 3.14Å; T48-H51 VanDerWaalsContact O-N 3.17Å; T48-S52 WeakPolarHBondContact O-CB 3.46Å; T48-S52 PolarHBondContact O-N 3.5Å; T48-S52 PolarHBondContact O-OG 3.13Å; T48-S52 VanDerWaalsContact O-OG 3.09Å; T48-I120 HydrophobicContact CG2-CD1 4.36Å; T48-W123 HydrophobicContact CG2-CB 3.26Å; T48-W123 HydrophobicContact CG2-CD2 4.2Å; T48-W123 HydrophobicContact CG2-CG 3.63Å; T48-H126 HydrophobicContact CG2-CB 4.24Å; T48-C130 PolarHBondContact N-SG 3.36Å; T48-C130 VanDerWaalsContact N-SG 3.37Å
49	V	97.6	Very high	96.1	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	17%	0.17	C	C	.	.	H	α-helix	trans	-61.1	-40.5	178.1	177.5	0	0	0	0	111.1	V27 L31 L45 H51 S52 S53 F55 L71 F72	V27-V49 HydrophobicContact CG1-CG1 4.4Å; L31-V49 HydrophobicContact CD1-CG2 4.17Å; L45-V49 HydrophobicContact CD1-CG2 4.17Å; L45-V49 HydrophobicContact CG-CG2 4.45Å; L45-V49 VanDerWaalsContact O-CG2 3.29Å; L45-V49 WeakPolarHBondContact O-CG2 3.47Å; L45-V49 PolarHBondContact O-N 2.9Å; V49-H51 PolarHBondContact O-N 2.96Å; V49-S52 PolarHBondContact O-N 2.86Å; V49-S53 PolarHBondContact O-N 2.67Å; V49-S53 PolarHBondContact O-OG 3.4Å; V49-F55 HydrophobicContact CB-CD1 4.43Å; V49-F55 HydrophobicContact CB-CE1 4.21Å; V49-F55 HydrophobicContact CG1-CD1 3.84Å; V49-F55 HydrophobicContact CG1-CE1 4.11Å; V49-L71 HydrophobicContact CG1-CD1 3.49Å; V49-L71 VanDerWaalsContact CG1-CD1 3.49Å; V49-L71 HydrophobicContact CG1-CD2 4.42Å; V49-L71 HydrophobicContact CG1-CG 3.65Å; V49-F72 HydrophobicContact CG2-CD1 3.91Å; V49-F72 HydrophobicContact CG2-CE1 3.82Å
50	F	98.1	Very high	96.5	Very high	77 Å²	77	30 Å²	30	34%	0.338	16%	0.16	S	C	.	.	H	α-helix	trans	-58.8	-47.7	174.8	178.6	-99	0	0	0	111.9	I46 C47 T48 S52 A54 F55 W137	I46-F50 WeakPolarHBondContact O-CB 3.32Å; I46-F50 PolarHBondContact O-N 3.42Å; C47-F50 WeakPolarHBondContact O-CB 3.25Å; C47-F50 PolarHBondContact O-N 3.02Å; T48-F50 VanDerWaalsContact C-N 3.32Å; T48-F50 PolarHBondContact O-N 3Å; F50-S52 VanDerWaalsContact C-N 3.26Å; F50-S52 PolarHBondContact O-N 3.48Å; F50-A54 WeakPolarHBondContact O-CA 3.49Å; F50-A54 PolarHBondContact O-N 2.99Å; F50-F55 HydrophobicContact CB-CD1 4.31Å; F50-F55 HydrophobicContact CB-CE1 3.64Å; F50-F55 HydrophobicContact CB-CE2 4.08Å; F50-F55 HydrophobicContact CB-CZ 3.51Å; F50-F55 AromaticContact CD2-CD2 3.8Å; F50-F55 HydrophobicContact CD2-CD2 3.8Å; F50-F55 HydrophobicContact CD2-CE1 4.47Å; F50-F55 AromaticContact CD2-CE2 3.54Å; F50-F55 HydrophobicContact CD2-CE2 3.54Å; F50-F55 HydrophobicContact CD2-CG 4.37Å; F50-F55 AromaticContact CD2-CZ 3.92Å; F50-F55 HydrophobicContact CD2-CZ 3.92Å; F50-F55 HydrophobicContact CE2-CE2 4.47Å; F50-F55 HydrophobicContact CG-CE2 4.24Å; F50-F55 HydrophobicContact CG-CZ 4.17Å; F50-W137 HydrophobicContact CB-CH2 3.82Å; F50-W137 HydrophobicContact CB-CZ3 3.62Å; F50-W137 AromaticContact CD1-CH2 3.26Å; F50-W137 HydrophobicContact CD1-CH2 3.26Å; F50-W137 HydrophobicContact CD1-CZ2 4.23Å; F50-W137 AromaticContact CD1-CZ3 3.84Å; F50-W137 HydrophobicContact CD1-CZ3 3.84Å; F50-W137 HydrophobicContact CD2-CH2 4.34Å; F50-W137 HydrophobicContact CD2-CZ3 4.15Å; F50-W137 AromaticContact CE1-CH2 3.82Å; F50-W137 HydrophobicContact CE1-CH2 3.82Å; F50-W137 AromaticContact CG-CH2 3.53Å; F50-W137 HydrophobicContact CG-CH2 3.53Å; F50-W137 AromaticContact CG-CZ3 3.58Å; F50-W137 HydrophobicContact CG-CZ3 3.58Å
51	H	98	Very high	96.9	Very high	80 Å²	80	32.5 Å²	32.5	37%	0.37	18%	0.175	S	C	.	.	H	α-helix	trans	-75.6	-15	-178.7	-77.5	-64.9	0	0	0	113.7	C47 T48 V49 A125 L129 W137	C47-H51 PolarHBondContact O-CD2 3.28Å; C47-H51 PolarHBondContact O-N 3.49Å; T48-H51 PolarHBondContact O-N 3.14Å; T48-H51 VanDerWaalsContact O-N 3.17Å; V49-H51 PolarHBondContact O-N 2.96Å; H51-A125 HydrophobicContact CB-CB 3.53Å; H51-L129 HydrophobicContact CB-CD1 4.04Å; H51-W137 AromaticContact NE2-CZ2 3.79Å
52	S	97.6	Very high	97.2	Very high	28 Å²	28	34.5 Å²	34.5	20%	0.196	19%	0.187	C	C	.	.	H	α-helix	trans	-81.2	-47.6	172.4	-67.4	0	0	0	0	112.7	T48 V49 F50 Q73	T48-S52 WeakPolarHBondContact O-CB 3.46Å; T48-S52 PolarHBondContact O-N 3.5Å; T48-S52 PolarHBondContact O-OG 3.13Å; T48-S52 VanDerWaalsContact O-OG 3.09Å; V49-S52 PolarHBondContact O-N 2.86Å; F50-S52 VanDerWaalsContact C-N 3.26Å; F50-S52 PolarHBondContact O-N 3.48Å; S52-Q73 VanDerWaalsContact O-CG 3.24Å; S52-Q73 WeakPolarHBondContact O-CG 3.31Å
53	S	97.7	Very high	97.2	Very high	11 Å²	11	36.1 Å²	36.1	8%	0.077	20%	0.196	C	C	.	.	H	α-helix	trans	-132.8	0	-169.1	60.6	0	0	0	0	114.8	V49 F55 D56 L71	V49-S53 PolarHBondContact O-N 2.67Å; V49-S53 PolarHBondContact O-OG 3.4Å; S53-F55 PolarHBondContact O-N 3.3Å; S53-F55 PolarHBondContact OG-N 3.43Å; S53-D56 VanDerWaalsContact O-CB 3.31Å; S53-D56 WeakPolarHBondContact O-CB 3.41Å; S53-D56 PolarHBondContact O-N 3.19Å; S53-L71 WeakPolarHBondContact CB-O 3.29Å; S53-L71 PolarHBondContact OG-O 3.46Å
54	A	97.4	Very high	97.1	Very high	40 Å²	40	41.5 Å²	41.5	33%	0.331	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	32.7	-167.3	0	0	0	0	0	113	Q21 F50 D56	Q21-A54 PolarHBondContact NE2-O 3.06Å; F50-A54 WeakPolarHBondContact O-CA 3.49Å; F50-A54 PolarHBondContact O-N 2.99Å; A54-D56 PolarHBondContact O-N 2.78Å
55	F	97.2	Very high	97.1	Very high	10 Å²	10	43.3 Å²	43.3	4%	0.044	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	19.7	-176.2	-53.1	-44	0	0	0	115.3	L22 K24 V27 I46 V49 F50 S53 L71	L22-F55 HydrophobicContact CB-CB 4.16Å; L22-F55 PolarHBondContact N-O 3.33Å; L22-F55 WeakPolarHBondContact O-CB 3.27Å; K24-F55 HydrophobicContact CB-CE2 3.99Å; K24-F55 HydrophobicContact CB-CZ 4.44Å; V27-F55 HydrophobicContact CB-CD1 4.28Å; V27-F55 HydrophobicContact CB-CE1 4.29Å; V27-F55 HydrophobicContact CG1-CD1 4.24Å; V27-F55 HydrophobicContact CG1-CE1 4.15Å; V27-F55 HydrophobicContact CG2-CB 4.04Å; V27-F55 HydrophobicContact CG2-CD1 3.65Å; V27-F55 HydrophobicContact CG2-CD2 4.47Å; V27-F55 HydrophobicContact CG2-CE1 4.14Å; V27-F55 HydrophobicContact CG2-CG 3.83Å; I46-F55 HydrophobicContact CG2-CE1 4.27Å; I46-F55 HydrophobicContact CG2-CZ 3.8Å; I46-F55 WeakPolarHBondContact O-CE1 3.4Å; V49-F55 HydrophobicContact CB-CD1 4.43Å; V49-F55 HydrophobicContact CB-CE1 4.21Å; V49-F55 HydrophobicContact CG1-CD1 3.84Å; V49-F55 HydrophobicContact CG1-CE1 4.11Å; F50-F55 HydrophobicContact CB-CD1 4.31Å; F50-F55 HydrophobicContact CB-CE1 3.64Å; F50-F55 HydrophobicContact CB-CE2 4.08Å; F50-F55 HydrophobicContact CB-CZ 3.51Å; F50-F55 AromaticContact CD2-CD2 3.8Å; F50-F55 HydrophobicContact CD2-CD2 3.8Å; F50-F55 HydrophobicContact CD2-CE1 4.47Å; F50-F55 AromaticContact CD2-CE2 3.54Å; F50-F55 HydrophobicContact CD2-CE2 3.54Å; F50-F55 HydrophobicContact CD2-CG 4.37Å; F50-F55 AromaticContact CD2-CZ 3.92Å; F50-F55 HydrophobicContact CD2-CZ 3.92Å; F50-F55 HydrophobicContact CE2-CE2 4.47Å; F50-F55 HydrophobicContact CG-CE2 4.24Å; F50-F55 HydrophobicContact CG-CZ 4.17Å; S53-F55 PolarHBondContact O-N 3.3Å; S53-F55 PolarHBondContact OG-N 3.43Å; F55-L71 HydrophobicContact CB-CD1 4.4Å; F55-L71 HydrophobicContact CD1-CD1 4.5Å
56	D	97	Very high	97.1	Very high	43 Å²	43	43.4 Å²	43.4	23%	0.23	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-85.5	116.3	176	-176.5	-0.7	0	0	0	109.9	S53 A54 Q58 A59	S53-D56 VanDerWaalsContact O-CB 3.31Å; S53-D56 WeakPolarHBondContact O-CB 3.41Å; S53-D56 PolarHBondContact O-N 3.19Å; A54-D56 PolarHBondContact O-N 2.78Å; D56-Q58 PolarHBondContact O-N 3.17Å; D56-Q58 WeakPolarHBondContact OD1-CA 3.4Å; D56-Q58 PolarHBondContact OD1-N 2.9Å; D56-A59 HydrophobicContact CB-CB 4.1Å; D56-A59 WeakPolarHBondContact O-CB 3.39Å; D56-A59 PolarHBondContact O-N 2.72Å
57	T	97.1	Very high	97.2	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-15.3	177.8	68.8	0	0	0	0	112.1	R20 L22 G70 V100 D101 I104	R20-T57 PolarHBondContact O-N 3.07Å; L22-T57 HydrophobicContact CD1-CG2 3.84Å; L22-T57 HydrophobicContact CG-CG2 4.15Å; T57-G70 WeakPolarHBondContact O-CA 3.33Å; T57-V100 WeakPolarHBondContact O-CA 3.35Å; T57-D101 WeakPolarHBondContact CB-O 3.41Å; T57-D101 PolarHBondContact OG1-O 3.41Å; T57-D101 VanDerWaalsContact OG1-O 3.05Å; T57-I104 HydrophobicContact CG2-CG2 3.77Å
58	Q	97	Very high	97.2	Very high	55 Å²	55	46.3 Å²	46.3	26%	0.257	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	11.3	180	-64.4	173	52.3	0	0	112.3	Q18 R20 D56 I60	Q18-Q58 PolarHBondContact O-NE2 3.47Å; R20-Q58 VanDerWaalsContact N-NE2 3.17Å; D56-Q58 PolarHBondContact O-N 3.17Å; D56-Q58 WeakPolarHBondContact OD1-CA 3.4Å; D56-Q58 PolarHBondContact OD1-N 2.9Å; Q58-I60 PolarHBondContact O-N 3.18Å
59	A	97.8	Very high	97.2	Very high	13 Å²	13	47.4 Å²	47.4	11%	0.107	26%	0.264	C	S	.	.			trans	-61.5	125.4	179.2	0	0	0	0	0	111.6	D56 Y69 G70 Q73	D56-A59 HydrophobicContact CB-CB 4.1Å; D56-A59 WeakPolarHBondContact O-CB 3.39Å; D56-A59 PolarHBondContact O-N 2.72Å; A59-Y69 CarbonylContact O-C 3.3Å; A59-G70 PolarHBondContact O-N 3.14Å; A59-Q73 PolarHBondContact O-NE2 3.01Å
60	I	98.1	Very high	97.3	Very high	90 Å²	90	47.3 Å²	47.3	46%	0.462	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	119.6	174.8	-62.6	174	0	0	0	108.6	Q58 T67 E68 Y69 V100	Q58-I60 PolarHBondContact O-N 3.18Å; I60-T67 HydrophobicContact CG2-CG2 3.54Å; I60-E68 WeakPolarHBondContact CA-O 3.32Å; I60-Y69 HydrophobicContact CG1-CD1 4.39Å; I60-V100 HydrophobicContact CD1-CG1 4.18Å; I60-V100 HydrophobicContact CG1-CG1 3.85Å
61	V	98.1	Very high	97.3	Very high	62 Å²	62	43.7 Å²	43.7	38%	0.376	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.1	176.7	177	0	0	0	0	109.4	T67 E68	V61-T67 WeakPolarHBondContact O-CA 3.4Å; V61-E68 HydrophobicContact CB-CB 4.48Å; V61-E68 PolarHBondContact N-O 3.23Å; V61-E68 PolarHBondContact O-N 3.32Å
62	N	97.6	Very high	97.3	Very high	118 Å²	118	39.9 Å²	39.9	63%	0.631	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	118.9	176.3	-63	-69.4	0	0	0	109.7	T67	N62-T67 WeakPolarHBondContact OD1-CG2 3.22Å; N62-T67 PolarHBondContact OD1-OG1 3.31Å
63	N	94.6	Very high	97.3	Very high	69 Å²	69	38.9 Å²	38.9	37%	0.369	22%	0.222	S	C	.	.			trans	-97.4	177.4	171.2	-65.1	-61.2	0	0	0	110.1	D65 S66	N63-D65 VanDerWaalsContact C-N 3.26Å; N63-D65 PolarHBondContact O-N 2.89Å; N63-S66 CarbonylContact C-O 3.58Å; N63-S66 WeakPolarHBondContact CA-O 3.15Å; N63-S66 WeakPolarHBondContact CB-O 3.44Å; N63-S66 PolarHBondContact N-O 3.42Å
64	S	93.3	Very high	97.4	Very high	128 Å²	128	38.3 Å²	38.3	90%	0.895	22%	0.218	S	C	*	.	S	Bend	trans	-64.2	-29.8	-178.3	52.5	0	0	0	0	113.8
65	D	94.7	Very high	97.4	Very high	80 Å²	80	36.9 Å²	36.9	43%	0.428	21%	0.206	S	C	.	.	S	Bend	trans	-128.7	0.7	-172.8	72.7	-18.6	0	0	0	114.2	N63 K77 I85	N63-D65 VanDerWaalsContact C-N 3.26Å; N63-D65 PolarHBondContact O-N 2.89Å; D65-K77 WeakPolarHBondContact OD2-CE 2.97Å; D65-K77 IonicContact OD2-NZ 2.69Å; D65-K77 PolarHBondContact OD2-NZ 3.35Å; D65-I85 VanDerWaalsContact O-CD1 3.26Å; D65-I85 WeakPolarHBondContact O-CD1 3.44Å
66	S	97.6	Very high	97.5	Very high	6 Å²	6	36.4 Å²	36.4	4%	0.042	20%	0.204	C	C	.	.			trans	-163.7	169	-173.2	53.9	0	0	0	0	112.1	N63 N76	N63-S66 CarbonylContact C-O 3.58Å; N63-S66 WeakPolarHBondContact CA-O 3.15Å; N63-S66 WeakPolarHBondContact CB-O 3.44Å; N63-S66 PolarHBondContact N-O 3.42Å; S66-N76 WeakPolarHBondContact CA-OD1 3.48Å; S66-N76 WeakPolarHBondContact CB-OD1 3.21Å
67	T	98.5	Very high	97.5	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.018	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	141.1	173.8	-63.3	0	0	0	0	109	I60 V61 N62 Y69 S75 N76 Q84	I60-T67 HydrophobicContact CG2-CG2 3.54Å; V61-T67 WeakPolarHBondContact O-CA 3.4Å; N62-T67 WeakPolarHBondContact OD1-CG2 3.22Å; N62-T67 PolarHBondContact OD1-OG1 3.31Å; T67-Y69 WeakPolarHBondContact CB-OH 3.46Å; T67-Y69 HydrophobicContact CG2-CD2 4.27Å; T67-Y69 HydrophobicContact CG2-CE1 3.92Å; T67-Y69 HydrophobicContact CG2-CE2 3.61Å; T67-Y69 VanDerWaalsContact CG2-CZ 3.42Å; T67-Y69 WeakPolarHBondContact O-CD2 3.22Å; T67-Y69 WeakPolarHBondContact O-CE2 3.4Å; T67-S75 WeakPolarHBondContact O-CA 3.27Å; T67-N76 PolarHBondContact N-OD1 3.37Å; T67-N76 PolarHBondContact O-N 3.03Å; T67-N76 PolarHBondContact O-OD1 3.02Å; T67-Q84 PolarHBondContact OG1-OE1 3.22Å
68	E	98.6	Very high	97.6	Very high	57 Å²	57	41.5 Å²	41.5	27%	0.266	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	138.5	176.4	-71.8	172.4	-171	0	0	109.7	I60 V61 Q73	I60-E68 WeakPolarHBondContact CA-O 3.32Å; V61-E68 HydrophobicContact CB-CB 4.48Å; V61-E68 PolarHBondContact N-O 3.23Å; V61-E68 PolarHBondContact O-N 3.32Å; E68-Q73 HydrophobicContact CB-CB 3.99Å
69	Y	98.6	Very high	97.7	Very high	23 Å²	23	39.1 Å²	39.1	9%	0.09	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	139.4	-168	-59.6	-99.1	0	0	0	111.6	A59 I60 T67 Q73 I74 N76 D82 C96 V100	A59-Y69 CarbonylContact O-C 3.3Å; I60-Y69 HydrophobicContact CG1-CD1 4.39Å; T67-Y69 WeakPolarHBondContact CB-OH 3.46Å; T67-Y69 HydrophobicContact CG2-CD2 4.27Å; T67-Y69 HydrophobicContact CG2-CE1 3.92Å; T67-Y69 HydrophobicContact CG2-CE2 3.61Å; T67-Y69 VanDerWaalsContact CG2-CZ 3.42Å; T67-Y69 WeakPolarHBondContact O-CD2 3.22Å; T67-Y69 WeakPolarHBondContact O-CE2 3.4Å; Y69-Q73 CarbonylContact O-C 3.56Å; Y69-Q73 VanDerWaalsContact O-CA 3.26Å; Y69-Q73 WeakPolarHBondContact O-CA 3.4Å; Y69-Q73 PolarHBondContact O-N 2.79Å; Y69-Q73 VanDerWaalsContact O-N 3.14Å; Y69-I74 WeakPolarHBondContact CD2-O 3.45Å; Y69-I74 PolarHBondContact N-O 3.23Å; Y69-I74 PolarHBondContact O-N 3.03Å; Y69-N76 HydrophobicContact CE2-CB 3.75Å; Y69-N76 PolarHBondContact OH-ND2 3.07Å; Y69-D82 PolarHBondContact OH-OD2 3.12Å; Y69-C96 HydrophobicContact CD1-CB 4.01Å; Y69-C96 HydrophobicContact CD2-CB 3.83Å; Y69-C96 HydrophobicContact CE1-CB 3.91Å; Y69-C96 HydrophobicContact CE2-CB 3.76Å; Y69-C96 HydrophobicContact CG-CB 3.97Å; Y69-V100 HydrophobicContact CD1-CG1 4.14Å
70	G	98.2	Very high	97.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	-166.8	160.4	0	0	0	0	0	115.7	T57 A59 F72 Q73 F99	T57-G70 WeakPolarHBondContact O-CA 3.33Å; A59-G70 PolarHBondContact O-N 3.14Å; G70-F72 PolarHBondContact O-N 2.71Å; G70-F72 VanDerWaalsContact O-N 3.14Å; G70-Q73 PolarHBondContact O-N 3.35Å; G70-Q73 VanDerWaalsContact O-N 3.07Å; G70-Q73 PolarHBondContact O-NE2 3.18Å; G70-F99 WeakPolarHBondContact CA-O 3.31Å
71	L	97.9	Very high	97.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-38.2	-177.1	-176.8	62.9	0	0	0	112.2	L22 V49 S53 F55 I104	L22-L71 HydrophobicContact CD1-CD2 4.34Å; V49-L71 HydrophobicContact CG1-CD1 3.49Å; V49-L71 VanDerWaalsContact CG1-CD1 3.49Å; V49-L71 HydrophobicContact CG1-CD2 4.42Å; V49-L71 HydrophobicContact CG1-CG 3.65Å; S53-L71 WeakPolarHBondContact CB-O 3.29Å; S53-L71 PolarHBondContact OG-O 3.46Å; F55-L71 HydrophobicContact CB-CD1 4.4Å; F55-L71 HydrophobicContact CD1-CD1 4.5Å; L71-I104 HydrophobicContact CD2-CD1 3.77Å; L71-I104 HydrophobicContact CD2-CG2 4.23Å
72	F	98.3	Very high	97.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	6.5	-176.9	-62.5	-87	0	0	0	114.3	L31 M34 V49 G70 I74 D107 I108 A111 W123	L31-F72 HydrophobicContact CD1-CE1 4.19Å; L31-F72 HydrophobicContact CD1-CZ 4.14Å; L31-F72 HydrophobicContact CD2-CE1 4.4Å; L31-F72 HydrophobicContact CD2-CE2 4.44Å; L31-F72 HydrophobicContact CD2-CZ 3.59Å; M34-F72 HydrophobicContact CE-CE1 4.47Å; M34-F72 HydrophobicContact SD-CE1 4.3Å; M34-F72 HydrophobicContact SD-CZ 4.15Å; V49-F72 HydrophobicContact CG2-CD1 3.91Å; V49-F72 HydrophobicContact CG2-CE1 3.82Å; G70-F72 PolarHBondContact O-N 2.71Å; G70-F72 VanDerWaalsContact O-N 3.14Å; F72-I74 VanDerWaalsContact C-N 3.32Å; F72-I74 HydrophobicContact CB-CD1 4.1Å; F72-I74 HydrophobicContact CB-CG1 3.84Å; F72-I74 PolarHBondContact O-N 3.17Å; F72-D107 HydrophobicContact CD2-CB 3.72Å; F72-D107 HydrophobicContact CE2-CB 3.79Å; F72-I108 HydrophobicContact CE2-CG1 4.02Å; F72-I108 HydrophobicContact CZ-CG1 3.98Å; F72-A111 HydrophobicContact CD1-CB 3.86Å; F72-A111 HydrophobicContact CD2-CB 4.35Å; F72-A111 HydrophobicContact CE1-CB 3.96Å; F72-A111 HydrophobicContact CE2-CB 4.42Å; F72-A111 HydrophobicContact CG-CB 4.03Å; F72-A111 HydrophobicContact CZ-CB 4.21Å; F72-W123 HydrophobicContact CB-CZ2 4.31Å; F72-W123 HydrophobicContact CD1-CZ2 4.17Å; F72-W123 PolarHBondContact O-NE1 3.16Å
73	Q	98.7	Very high	97.5	Very high	7 Å²	7	42.7 Å²	42.7	3%	0.033	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	53.3	-178.9	-66	-60.8	-75.2	0	0	112.3	S52 A59 E68 Y69 G70 Y122	S52-Q73 VanDerWaalsContact O-CG 3.24Å; S52-Q73 WeakPolarHBondContact O-CG 3.31Å; A59-Q73 PolarHBondContact O-NE2 3.01Å; E68-Q73 HydrophobicContact CB-CB 3.99Å; Y69-Q73 CarbonylContact O-C 3.56Å; Y69-Q73 VanDerWaalsContact O-CA 3.26Å; Y69-Q73 WeakPolarHBondContact O-CA 3.4Å; Y69-Q73 PolarHBondContact O-N 2.79Å; Y69-Q73 VanDerWaalsContact O-N 3.14Å; G70-Q73 PolarHBondContact O-N 3.35Å; G70-Q73 VanDerWaalsContact O-N 3.07Å; G70-Q73 PolarHBondContact O-NE2 3.18Å; Q73-Y122 PolarHBondContact O-OH 2.87Å
74	I	98.8	Very high	97.5	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	124.7	-176.7	-61.9	165.8	0	0	0	108.9	Y69 F72 W79 F99 C110 I114	Y69-I74 WeakPolarHBondContact CD2-O 3.45Å; Y69-I74 PolarHBondContact N-O 3.23Å; Y69-I74 PolarHBondContact O-N 3.03Å; F72-I74 VanDerWaalsContact C-N 3.32Å; F72-I74 HydrophobicContact CB-CD1 4.1Å; F72-I74 HydrophobicContact CB-CG1 3.84Å; F72-I74 PolarHBondContact O-N 3.17Å; I74-W79 HydrophobicContact CG2-CB 3.36Å; I74-W79 HydrophobicContact CG2-CG 4.01Å; I74-F99 HydrophobicContact CB-CD2 3.78Å; I74-F99 HydrophobicContact CB-CE2 3.73Å; I74-F99 HydrophobicContact CD1-CD1 4.06Å; I74-F99 HydrophobicContact CD1-CD2 3.88Å; I74-F99 HydrophobicContact CD1-CE1 3.95Å; I74-F99 HydrophobicContact CD1-CE2 3.73Å; I74-F99 HydrophobicContact CD1-CG 4.03Å; I74-F99 HydrophobicContact CD1-CZ 3.78Å; I74-F99 HydrophobicContact CG1-CD2 4.42Å; I74-F99 HydrophobicContact CG1-CE2 4.33Å; I74-F99 HydrophobicContact CG2-CD2 3.97Å; I74-F99 HydrophobicContact CG2-CE2 3.4Å; I74-F99 VanDerWaalsContact CG2-CE2 3.4Å; I74-F99 HydrophobicContact CG2-CZ 4.16Å; I74-C110 HydrophobicContact CD1-CB 3.93Å; I74-I114 HydrophobicContact CG1-CD1 4.03Å; I74-I114 HydrophobicContact CG2-CD1 4.2Å
75	S	98.5	Very high	97.6	Very high	10 Å²	10	38.3 Å²	38.3	7%	0.07	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	133.5	-172.7	-177.7	0	0	0	0	113.9	T67 K77 L78 W79 Y122	T67-S75 WeakPolarHBondContact O-CA 3.27Å; S75-K77 PolarHBondContact O-N 3.33Å; S75-K77 VanDerWaalsContact OG-CB 3.25Å; S75-K77 WeakPolarHBondContact OG-CB 3.34Å; S75-K77 PolarHBondContact OG-N 2.04Å; S75-K77 VanDerWaalsContact OG-N 3.16Å; S75-L78 PolarHBondContact O-N 3.25Å; S75-W79 WeakPolarHBondContact O-CB 3.38Å; S75-W79 PolarHBondContact O-N 3.38Å; S75-Y122 PolarHBondContact N-OH 3.38Å
76	N	98.4	Very high	97.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-12.8	169.2	64.4	1.8	0	0	0	113.5	S66 T67 Y69 L78 D82 Q84 I85 S88 C96	S66-N76 WeakPolarHBondContact CA-OD1 3.48Å; S66-N76 WeakPolarHBondContact CB-OD1 3.21Å; T67-N76 PolarHBondContact N-OD1 3.37Å; T67-N76 PolarHBondContact O-N 3.03Å; T67-N76 PolarHBondContact O-OD1 3.02Å; Y69-N76 HydrophobicContact CE2-CB 3.75Å; Y69-N76 PolarHBondContact OH-ND2 3.07Å; N76-L78 PolarHBondContact O-N 2.9Å; N76-D82 VanDerWaalsContact ND2-CG 3.3Å; N76-D82 PolarHBondContact ND2-OD1 3.32Å; N76-D82 PolarHBondContact ND2-OD2 3.01Å; N76-Q84 PolarHBondContact ND2-OE1 3.33Å; N76-I85 VanDerWaalsContact OD1-CD1 3.23Å; N76-I85 WeakPolarHBondContact OD1-CD1 3.49Å; N76-S88 WeakPolarHBondContact O-CB 3.15Å; N76-S88 PolarHBondContact O-OG 3.44Å; N76-C96 VanDerWaalsContact CB-SG 3.54Å
77	K	97.8	Very high	97.4	Very high	110 Å²	110	46 Å²	46	48%	0.478	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.4	177.9	-168	168.4	178.5	172.1	0	112.4	D65 S75 I85	D65-K77 WeakPolarHBondContact OD2-CE 2.97Å; D65-K77 IonicContact OD2-NZ 2.69Å; D65-K77 PolarHBondContact OD2-NZ 3.35Å; S75-K77 PolarHBondContact O-N 3.33Å; S75-K77 VanDerWaalsContact OG-CB 3.25Å; S75-K77 WeakPolarHBondContact OG-CB 3.34Å; S75-K77 PolarHBondContact OG-N 2.04Å; S75-K77 VanDerWaalsContact OG-N 3.16Å; K77-I85 HydrophobicContact CB-CD1 4.32Å
78	L	98.3	Very high	97.4	Very high	40 Å²	40	46.6 Å²	46.6	21%	0.209	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.3	-38	-172.6	-158.2	63.4	0	0	0	114.9	S75 N76 R89 N90 I91	S75-L78 PolarHBondContact O-N 3.25Å; N76-L78 PolarHBondContact O-N 2.9Å; L78-R89 HydrophobicContact CD1-CB 4.17Å; L78-R89 HydrophobicContact CD1-CG 4.12Å; L78-N90 PolarHBondContact O-N 2.86Å; L78-N90 VanDerWaalsContact O-N 3.12Å; L78-I91 HydrophobicContact CD1-CD1 4.36Å; L78-I91 HydrophobicContact CD2-CD1 3.93Å; L78-I91 HydrophobicContact CG-CD1 3.69Å; L78-I91 HydrophobicContact CG-CG1 4.44Å; L78-I91 PolarHBondContact O-N 3.25Å; L78-I91 VanDerWaalsContact O-N 3.14Å
79	W	98.8	Very high	97.3	Very high	5 Å²	5	52.3 Å²	52.3	2%	0.019	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-44	-159.1	-62.1	107.4	0	0	0	113.2	I74 S75 N90 I91 C92 I114 E118 Y122	I74-W79 HydrophobicContact CG2-CB 3.36Å; I74-W79 HydrophobicContact CG2-CG 4.01Å; S75-W79 WeakPolarHBondContact O-CB 3.38Å; S75-W79 PolarHBondContact O-N 3.38Å; W79-N90 CarbonylContact O-C 3.55Å; W79-N90 VanDerWaalsContact O-C 3.3Å; W79-N90 WeakPolarHBondContact O-CA 3.36Å; W79-N90 PolarHBondContact O-OD1 2.02Å; W79-I91 HydrophobicContact CE3-CB 3.88Å; W79-I91 HydrophobicContact CE3-CD1 4.22Å; W79-I91 HydrophobicContact CE3-CG2 3.98Å; W79-I91 HydrophobicContact CH2-CD1 4.37Å; W79-I91 HydrophobicContact CZ3-CB 4.14Å; W79-I91 HydrophobicContact CZ3-CD1 4.01Å; W79-I91 HydrophobicContact CZ3-CG2 3.79Å; W79-I91 PolarHBondContact O-N 2.9Å; W79-I91 VanDerWaalsContact O-N 3.16Å; W79-C92 VanDerWaalsContact O-CB 3.27Å; W79-C92 WeakPolarHBondContact O-CB 3.46Å; W79-C92 PolarHBondContact O-N 3.2Å; W79-I114 HydrophobicContact CD2-CD1 3.99Å; W79-I114 HydrophobicContact CD2-CG1 3.55Å; W79-I114 HydrophobicContact CE3-CD1 4.36Å; W79-I114 HydrophobicContact CE3-CG1 3.53Å; W79-I114 HydrophobicContact CG-CD1 4.15Å; W79-I114 HydrophobicContact CG-CG1 4.23Å; W79-I114 HydrophobicContact CH2-CB 4.2Å; W79-I114 HydrophobicContact CH2-CG1 3.81Å; W79-I114 HydrophobicContact CH2-CG2 4.49Å; W79-I114 HydrophobicContact CZ2-CB 4.31Å; W79-I114 HydrophobicContact CZ2-CG1 3.8Å; W79-I114 HydrophobicContact CZ2-CG2 4.22Å; W79-I114 HydrophobicContact CZ3-CB 4.35Å; W79-I114 HydrophobicContact CZ3-CG1 3.65Å; W79-E118 HydrophobicContact CH2-CG 4.03Å; W79-E118 HydrophobicContact CZ2-CG 3.65Å; W79-Y122 AromaticContact CD1-CE2 3.84Å; W79-Y122 HydrophobicContact CZ2-CD2 4.47Å; W79-Y122 AromaticContact NE1-CD2 3.83Å; W79-Y122 AromaticContact NE1-CE2 3.16Å; W79-Y122 AromaticContact NE1-CZ 3.78Å
80	C	98.8	Very high	97.3	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-121	173.5	176	60.3	0	0	0	0	111.4	S88 N90 I94 C96 F99	C80-S88 PolarHBondContact O-OG 3.32Å; C80-N90 WeakPolarHBondContact CA-OD1 3.48Å; C80-I94 HydrophobicContact CB-CG2 4.35Å; C80-I94 WeakPolarHBondContact CB-O 3.27Å; C80-C96 HydrophobicContact CB-CB 3.95Å; C80-C96 WeakPolarHBondContact CB-SG 3.33Å; C80-C96 VanDerWaalsContact SG-CA 3.53Å; C80-C96 WeakPolarHBondContact SG-CB 3.46Å; C80-C96 CovalentContact SG-SG 2.03Å; C80-C96 PolarHBondContact SG-SG 2.85Å; C80-F99 HydrophobicContact CB-CD2 4.21Å; C80-F99 HydrophobicContact CB-CE2 3.49Å; C80-F99 VanDerWaalsContact CB-CE2 3.49Å; C80-F99 HydrophobicContact CB-CZ 4.23Å
81	R	98.3	Very high	97.3	Very high	139 Å²	139	54.9 Å²	54.9	53%	0.525	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-113.9	137.6	178	178.8	151.4	43.1	162.8	-1.9	112	N90 I94 S95 C96	R81-N90 HydrophobicContact CB-CB 4.04Å; R81-N90 PolarHBondContact N-OD1 2.97Å; R81-N90 PolarHBondContact NE-ND2 3.19Å; R81-N90 PolarHBondContact NH2-ND2 2.79Å; R81-I94 PolarHBondContact N-O 3.44Å; R81-S95 CarbonylContact O-C 3.45Å; R81-S95 WeakPolarHBondContact O-CA 3.46Å; R81-S95 PolarHBondContact O-OG 2.86Å; R81-C96 PolarHBondContact N-SG 3.33Å; R81-C96 PolarHBondContact O-N 2.77Å; R81-C96 PolarHBondContact O-SG 3.06Å
82	D	96.1	Very high	97.4	Very high	30 Å²	30	55.7 Å²	55.7	16%	0.16	26%	0.261	C	S	.	.			trans	-140.6	-168.4	170.1	76.7	-19.2	0	0	0	110.2	Y69 N76 Q84 I85 C96	Y69-D82 PolarHBondContact OH-OD2 3.12Å; N76-D82 VanDerWaalsContact ND2-CG 3.3Å; N76-D82 PolarHBondContact ND2-OD1 3.32Å; N76-D82 PolarHBondContact ND2-OD2 3.01Å; D82-Q84 PolarHBondContact OD1-N 3.46Å; D82-Q84 VanDerWaalsContact OD1-N 3.13Å; D82-Q84 WeakPolarHBondContact OD2-CB 3.48Å; D82-Q84 PolarHBondContact OD2-N 2.93Å; D82-I85 PolarHBondContact OD1-N 3.34Å; D82-C96 HydrophobicContact CB-CB 4.22Å
83	H	94.4	Very high	97.4	Very high	190 Å²	190	58.4 Å²	58.4	88%	0.88	29%	0.29	S	S	*	.	S	Bend	trans	-85.4	-19.1	177.2	-62.5	-57.8	0	0	0	113.9
84	Q	95.3	Very high	97.4	Very high	95 Å²	95	59.9 Å²	59.9	44%	0.444	30%	0.297	S	S	.	.	S	Bend	trans	-71.7	-40.4	-178.3	-170.5	-170.4	19.4	0	0	111.3	T67 N76 D82 P86	T67-Q84 PolarHBondContact OG1-OE1 3.22Å; N76-Q84 PolarHBondContact ND2-OE1 3.33Å; D82-Q84 PolarHBondContact OD1-N 3.46Å; D82-Q84 VanDerWaalsContact OD1-N 3.13Å; D82-Q84 WeakPolarHBondContact OD2-CB 3.48Å; D82-Q84 PolarHBondContact OD2-N 2.93Å; Q84-P86 WeakPolarHBondContact O-CD 3.31Å
85	I	95.4	Very high	97.3	Very high	10 Å²	10	62.4 Å²	62.4	5%	0.051	32%	0.315	C	S	.	.			trans	-124.4	78.1	-177.5	-51.3	-172.7	0	0	0	110.7	D65 N76 K77 D82 Q87 S88	D65-I85 VanDerWaalsContact O-CD1 3.26Å; D65-I85 WeakPolarHBondContact O-CD1 3.44Å; N76-I85 VanDerWaalsContact OD1-CD1 3.23Å; N76-I85 WeakPolarHBondContact OD1-CD1 3.49Å; K77-I85 HydrophobicContact CB-CD1 4.32Å; D82-I85 PolarHBondContact OD1-N 3.34Å; I85-Q87 HydrophobicContact CG2-CG 4.03Å; I85-Q87 PolarHBondContact O-N 3.23Å; I85-Q87 VanDerWaalsContact O-N 3.1Å; I85-S88 WeakPolarHBondContact O-CB 3.02Å; I85-S88 PolarHBondContact O-N 3.43Å
86	P	92.8	Very high	97.3	Very high	97 Å²	97	62 Å²	62	63%	0.63	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.4	179.4	-24.6	34.1	0	0	0	114.2	Q84 S88	Q84-P86 WeakPolarHBondContact O-CD 3.31Å; P86-S88 VanDerWaalsContact C-N 3.31Å
87	Q	95.4	Very high	97.3	Very high	151 Å²	151	66.2 Å²	66.2	71%	0.706	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	2.7	179.2	71.9	-80.8	8.6	0	0	114.5	I85 R89	I85-Q87 HydrophobicContact CG2-CG 4.03Å; I85-Q87 PolarHBondContact O-N 3.23Å; I85-Q87 VanDerWaalsContact O-N 3.1Å; Q87-R89 PolarHBondContact O-N 2.98Å
88	S	97.3	Very high	97.3	Very high	14 Å²	14	65.1 Å²	65.1	10%	0.098	33%	0.33	C	S	.	.			trans	-53	139.1	174.8	176.4	0	0	0	0	110.8	N76 C80 I85 P86 N90	N76-S88 WeakPolarHBondContact O-CB 3.15Å; N76-S88 PolarHBondContact O-OG 3.44Å; C80-S88 PolarHBondContact O-OG 3.32Å; I85-S88 WeakPolarHBondContact O-CB 3.02Å; I85-S88 PolarHBondContact O-N 3.43Å; P86-S88 VanDerWaalsContact C-N 3.31Å; S88-N90 PolarHBondContact O-N 3.16Å; S88-N90 PolarHBondContact OG-N 3.23Å; S88-N90 VanDerWaalsContact OG-N 3.16Å
89	R	97.9	Very high	97.3	Very high	177 Å²	177	63.2 Å²	63.2	67%	0.668	32%	0.32	S	S	*	.			trans	-67.1	-20.2	174.5	-68.1	-162.5	-71.1	170.9	-2.2	112.3	L78 Q87 I91	L78-R89 HydrophobicContact CD1-CB 4.17Å; L78-R89 HydrophobicContact CD1-CG 4.12Å; Q87-R89 PolarHBondContact O-N 2.98Å; R89-I91 VanDerWaalsContact C-N 3.33Å; R89-I91 HydrophobicContact CB-CG1 4.1Å; R89-I91 PolarHBondContact O-N 3.43Å
90	N	98.4	Very high	97.3	Very high	18 Å²	18	64.7 Å²	64.7	10%	0.096	33%	0.329	C	S	.	.			trans	48.9	52.8	-179.1	-173	23.1	0	0	0	112.1	L78 W79 C80 R81 S88 C92 G93 I94	L78-N90 PolarHBondContact O-N 2.86Å; L78-N90 VanDerWaalsContact O-N 3.12Å; W79-N90 CarbonylContact O-C 3.55Å; W79-N90 VanDerWaalsContact O-C 3.3Å; W79-N90 WeakPolarHBondContact O-CA 3.36Å; W79-N90 PolarHBondContact O-OD1 2.02Å; C80-N90 WeakPolarHBondContact CA-OD1 3.48Å; R81-N90 HydrophobicContact CB-CB 4.04Å; R81-N90 PolarHBondContact N-OD1 2.97Å; R81-N90 PolarHBondContact NE-ND2 3.19Å; R81-N90 PolarHBondContact NH2-ND2 2.79Å; S88-N90 PolarHBondContact O-N 3.16Å; S88-N90 PolarHBondContact OG-N 3.23Å; S88-N90 VanDerWaalsContact OG-N 3.16Å; N90-C92 PolarHBondContact O-N 3.12Å; N90-G93 WeakPolarHBondContact O-CA 3.42Å; N90-G93 PolarHBondContact O-N 3.03Å; N90-G93 PolarHBondContact OD1-N 2.76Å; N90-I94 PolarHBondContact OD1-N 3.31Å; N90-I94 PolarHBondContact OD1-O 2.89Å
91	I	98.6	Very high	97.1	Very high	60 Å²	60	67 Å²	67	31%	0.308	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-34.5	-175	-65.2	177.4	0	0	0	111.9	L78 W79 R89 G93 K113	L78-I91 HydrophobicContact CD1-CD1 4.36Å; L78-I91 HydrophobicContact CD2-CD1 3.93Å; L78-I91 HydrophobicContact CG-CD1 3.69Å; L78-I91 HydrophobicContact CG-CG1 4.44Å; L78-I91 PolarHBondContact O-N 3.25Å; L78-I91 VanDerWaalsContact O-N 3.14Å; W79-I91 HydrophobicContact CE3-CB 3.88Å; W79-I91 HydrophobicContact CE3-CD1 4.22Å; W79-I91 HydrophobicContact CE3-CG2 3.98Å; W79-I91 HydrophobicContact CH2-CD1 4.37Å; W79-I91 HydrophobicContact CZ3-CB 4.14Å; W79-I91 HydrophobicContact CZ3-CD1 4.01Å; W79-I91 HydrophobicContact CZ3-CG2 3.79Å; W79-I91 PolarHBondContact O-N 2.9Å; W79-I91 VanDerWaalsContact O-N 3.16Å; R89-I91 VanDerWaalsContact C-N 3.33Å; R89-I91 HydrophobicContact CB-CG1 4.1Å; R89-I91 PolarHBondContact O-N 3.43Å; I91-G93 VanDerWaalsContact C-N 3.26Å; I91-G93 PolarHBondContact O-N 2.48Å; I91-K113 PolarHBondContact O-NZ 3.46Å
92	C	98.6	Very high	96.6	Very high	16 Å²	16	64.6 Å²	64.6	11%	0.108	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-19.3	177.3	-66.1	0	0	0	0	112.7	W79 N90 I94 F99 C110 K113	W79-C92 VanDerWaalsContact O-CB 3.27Å; W79-C92 WeakPolarHBondContact O-CB 3.46Å; W79-C92 PolarHBondContact O-N 3.2Å; N90-C92 PolarHBondContact O-N 3.12Å; C92-I94 HydrophobicContact CB-CG2 3.86Å; C92-F99 HydrophobicContact CB-CZ 4.46Å; C92-C110 HydrophobicContact CB-CB 3.75Å; C92-C110 WeakPolarHBondContact CB-SG 3.28Å; C92-C110 WeakPolarHBondContact SG-CA 3.24Å; C92-C110 WeakPolarHBondContact SG-CB 3.49Å; C92-C110 CovalentContact SG-SG 2.02Å; C92-C110 PolarHBondContact SG-SG 3.21Å; C92-K113 PolarHBondContact O-NZ 2.03Å; C92-K113 VanDerWaalsContact O-NZ 3.12Å
93	G	98.4	Very high	96.5	Very high	58 Å²	58	67.3 Å²	67.3	60%	0.598	35%	0.354	S	S	*	.			trans	77	23.7	176.5	0	0	0	0	0	113.1	N90 I91	N90-G93 WeakPolarHBondContact O-CA 3.42Å; N90-G93 PolarHBondContact O-N 3.03Å; N90-G93 PolarHBondContact OD1-N 2.76Å; I91-G93 VanDerWaalsContact C-N 3.26Å; I91-G93 PolarHBondContact O-N 2.48Å
94	I	98.5	Very high	96.6	Very high	38 Å²	38	58.9 Å²	58.9	20%	0.195	32%	0.315	C	S	.	.	S	Bend	trans	-135.5	156	-168	-163.6	167.5	0	0	0	111.5	C80 R81 N90 C92 K98 F99 D106	C80-I94 HydrophobicContact CB-CG2 4.35Å; C80-I94 WeakPolarHBondContact CB-O 3.27Å; R81-I94 PolarHBondContact N-O 3.44Å; N90-I94 PolarHBondContact OD1-N 3.31Å; N90-I94 PolarHBondContact OD1-O 2.89Å; C92-I94 HydrophobicContact CB-CG2 3.86Å; I94-K98 HydrophobicContact CD1-CB 3.65Å; I94-K98 HydrophobicContact CD1-CG 3.86Å; I94-K98 HydrophobicContact CG1-CB 3.92Å; I94-K98 HydrophobicContact CG1-CG 3.82Å; I94-F99 HydrophobicContact CG2-CE1 3.78Å; I94-F99 HydrophobicContact CG2-CE2 4.16Å; I94-F99 HydrophobicContact CG2-CZ 3.36Å; I94-D106 HydrophobicContact CD1-CB 3.7Å; I94-D106 VanDerWaalsContact CD1-CG 3.44Å; I94-D106 VanDerWaalsContact CD1-OD2 3.32Å; I94-D106 WeakPolarHBondContact CD1-OD2 3.05Å
95	S	98.4	Very high	96.7	Very high	53 Å²	53	58.3 Å²	58.3	37%	0.371	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-79	139.7	175.5	-163.6	0	0	0	0	110.2	R81 D97 K98	R81-S95 CarbonylContact O-C 3.45Å; R81-S95 WeakPolarHBondContact O-CA 3.46Å; R81-S95 PolarHBondContact O-OG 2.86Å; S95-D97 WeakPolarHBondContact CB-OD1 3.07Å; S95-D97 PolarHBondContact O-N 3.05Å; S95-D97 PolarHBondContact OG-OD1 2.9Å; S95-K98 WeakPolarHBondContact O-CB 3.43Å; S95-K98 PolarHBondContact O-N 2.74Å; S95-K98 VanDerWaalsContact O-N 3.12Å
96	C	98.6	Very high	96.8	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.007	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-65.2	-21.4	-174.5	-59.4	0	0	0	0	113.6	Y69 N76 C80 R81 D82 K98 F99	Y69-C96 HydrophobicContact CD1-CB 4.01Å; Y69-C96 HydrophobicContact CD2-CB 3.83Å; Y69-C96 HydrophobicContact CE1-CB 3.91Å; Y69-C96 HydrophobicContact CE2-CB 3.76Å; Y69-C96 HydrophobicContact CG-CB 3.97Å; N76-C96 VanDerWaalsContact CB-SG 3.54Å; C80-C96 HydrophobicContact CB-CB 3.95Å; C80-C96 WeakPolarHBondContact CB-SG 3.33Å; C80-C96 VanDerWaalsContact SG-CA 3.53Å; C80-C96 WeakPolarHBondContact SG-CB 3.46Å; C80-C96 CovalentContact SG-SG 2.03Å; C80-C96 PolarHBondContact SG-SG 2.85Å; R81-C96 PolarHBondContact N-SG 3.33Å; R81-C96 PolarHBondContact O-N 2.77Å; R81-C96 PolarHBondContact O-SG 3.06Å; D82-C96 HydrophobicContact CB-CB 4.22Å; C96-K98 PolarHBondContact O-N 3.03Å; C96-F99 PolarHBondContact O-N 3.09Å
97	D	97.6	Very high	97.1	Very high	88 Å²	88	54.5 Å²	54.5	47%	0.471	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-63.4	-19.3	174.8	60.6	-73.8	0	0	0	113.4	S95 F99 V100	S95-D97 WeakPolarHBondContact CB-OD1 3.07Å; S95-D97 PolarHBondContact O-N 3.05Å; S95-D97 PolarHBondContact OG-OD1 2.9Å; D97-F99 VanDerWaalsContact C-N 3.31Å; D97-V100 WeakPolarHBondContact O-CG2 3.44Å; D97-V100 PolarHBondContact O-N 3.14Å
98	K	98.4	Very high	97.2	Very high	87 Å²	87	48.3 Å²	48.3	38%	0.378	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-70.4	-29.3	176.8	-67.1	-68.1	171.6	-164.9	0	113.4	I94 S95 C96 V100 D101	I94-K98 HydrophobicContact CD1-CB 3.65Å; I94-K98 HydrophobicContact CD1-CG 3.86Å; I94-K98 HydrophobicContact CG1-CB 3.92Å; I94-K98 HydrophobicContact CG1-CG 3.82Å; S95-K98 WeakPolarHBondContact O-CB 3.43Å; S95-K98 PolarHBondContact O-N 2.74Å; S95-K98 VanDerWaalsContact O-N 3.12Å; C96-K98 PolarHBondContact O-N 3.03Å; K98-V100 PolarHBondContact O-N 2.92Å; K98-D101 VanDerWaalsContact O-CG 3.3Å
99	F	98.4	Very high	97.2	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-77.3	-2.5	176.7	-55.3	-33.5	0	0	0	113.8	G70 I74 C80 C92 I94 C96 D97 D107 C110	G70-F99 WeakPolarHBondContact CA-O 3.31Å; I74-F99 HydrophobicContact CB-CD2 3.78Å; I74-F99 HydrophobicContact CB-CE2 3.73Å; I74-F99 HydrophobicContact CD1-CD1 4.06Å; I74-F99 HydrophobicContact CD1-CD2 3.88Å; I74-F99 HydrophobicContact CD1-CE1 3.95Å; I74-F99 HydrophobicContact CD1-CE2 3.73Å; I74-F99 HydrophobicContact CD1-CG 4.03Å; I74-F99 HydrophobicContact CD1-CZ 3.78Å; I74-F99 HydrophobicContact CG1-CD2 4.42Å; I74-F99 HydrophobicContact CG1-CE2 4.33Å; I74-F99 HydrophobicContact CG2-CD2 3.97Å; I74-F99 HydrophobicContact CG2-CE2 3.4Å; I74-F99 VanDerWaalsContact CG2-CE2 3.4Å; I74-F99 HydrophobicContact CG2-CZ 4.16Å; C80-F99 HydrophobicContact CB-CD2 4.21Å; C80-F99 HydrophobicContact CB-CE2 3.49Å; C80-F99 VanDerWaalsContact CB-CE2 3.49Å; C80-F99 HydrophobicContact CB-CZ 4.23Å; C92-F99 HydrophobicContact CB-CZ 4.46Å; I94-F99 HydrophobicContact CG2-CE1 3.78Å; I94-F99 HydrophobicContact CG2-CE2 4.16Å; I94-F99 HydrophobicContact CG2-CZ 3.36Å; C96-F99 PolarHBondContact O-N 3.09Å; D97-F99 VanDerWaalsContact C-N 3.31Å; F99-D107 WeakPolarHBondContact CA-OD1 3.31Å; F99-D107 WeakPolarHBondContact CB-OD1 3.39Å; F99-D107 HydrophobicContact CD1-CB 4.31Å; F99-C110 HydrophobicContact CE1-CB 3.94Å; F99-C110 HydrophobicContact CZ-CB 3.68Å; F99-C110 VanDerWaalsContact CZ-SG 3.55Å
100	V	97.4	Very high	97.2	Very high	37 Å²	37	44.6 Å²	44.6	22%	0.224	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-116.3	26.8	178.7	-62.9	0	0	0	0	112.6	T57 I60 Y69 D97 K98	T57-V100 WeakPolarHBondContact O-CA 3.35Å; I60-V100 HydrophobicContact CD1-CG1 4.18Å; I60-V100 HydrophobicContact CG1-CG1 3.85Å; Y69-V100 HydrophobicContact CD1-CG1 4.14Å; D97-V100 WeakPolarHBondContact O-CG2 3.44Å; D97-V100 PolarHBondContact O-N 3.14Å; K98-V100 PolarHBondContact O-N 2.92Å
101	D	94.3	Very high	97.2	Very high	49 Å²	49	43.8 Å²	43.8	26%	0.262	25%	0.25	S	C	.	.	S	Bend	trans	-108.6	-166.7	170.6	74.9	40.4	0	0	0	112.2	T57 K98 D103	T57-D101 WeakPolarHBondContact CB-O 3.41Å; T57-D101 PolarHBondContact OG1-O 3.41Å; T57-D101 VanDerWaalsContact OG1-O 3.05Å; K98-D101 VanDerWaalsContact O-CG 3.3Å; D101-D103 WeakPolarHBondContact OD1-CA 2.97Å; D101-D103 PolarHBondContact OD1-N 3.29Å
102	D	89.2	Confident	97.2	Very high	88 Å²	88	43.6 Å²	43.6	47%	0.471	25%	0.247	S	C	.	.	S	Bend	trans	-93.4	-12.9	-175.1	-84.4	-10.7	0	0	0	112.9	R20	R20-D102 WeakPolarHBondContact CB-OD1 3.47Å; R20-D102 WeakPolarHBondContact CD-OD1 3.45Å; R20-D102 VanDerWaalsContact NH1-CB 3.31Å; R20-D102 PolarHBondContact NH1-O 3.08Å; R20-D102 IonicContact NH1-OD1 3.87Å
103	D	93.9	Very high	97.2	Very high	87 Å²	87	47.1 Å²	47.1	47%	0.465	26%	0.26	S	S	.	.			trans	-96.2	88.7	-179.8	-179.5	13.5	0	0	0	111.1	D101 T105	D101-D103 WeakPolarHBondContact OD1-CA 2.97Å; D101-D103 PolarHBondContact OD1-N 3.29Å; D103-T105 PolarHBondContact O-N 3.01Å; D103-T105 WeakPolarHBondContact OD1-CB 3.49Å; D103-T105 PolarHBondContact OD1-N 3.46Å; D103-T105 VanDerWaalsContact OD1-N 3.12Å; D103-T105 PolarHBondContact OD1-OG1 3.21Å
104	I	95.9	Very high	97.2	Very high	13 Å²	13	44.3 Å²	44.3	7%	0.067	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	10.2	-179.2	63.6	170.4	0	0	0	114.8	L22 V30 T57 L71 D107 I108	L22-I104 HydrophobicContact CD1-CD1 4.29Å; V30-I104 HydrophobicContact CB-CD1 3.86Å; V30-I104 HydrophobicContact CG1-CD1 3.38Å; V30-I104 HydrophobicContact CG1-CG1 3.69Å; V30-I104 HydrophobicContact CG2-CD1 4.39Å; T57-I104 HydrophobicContact CG2-CG2 3.77Å; L71-I104 HydrophobicContact CD2-CD1 3.77Å; L71-I104 HydrophobicContact CD2-CG2 4.23Å; I104-D107 VanDerWaalsContact CA-OD2 3.32Å; I104-D107 WeakPolarHBondContact CA-OD2 3.34Å; I104-D107 HydrophobicContact CB-CB 4.31Å; I104-I108 HydrophobicContact CD1-CD1 4.39Å; I104-I108 HydrophobicContact CG1-CD1 4.28Å; I104-I108 WeakPolarHBondContact O-CD1 3.39Å; I104-I108 VanDerWaalsContact O-CG1 3.23Å; I104-I108 WeakPolarHBondContact O-CG1 3.3Å; I104-I108 PolarHBondContact O-N 3.48Å
105	T	96.6	Very high	97.1	Very high	83 Å²	83	42.9 Å²	42.9	51%	0.509	22%	0.224	S	C	.	.	H	α-helix	trans	-64.4	-42.7	-179.1	-55	0	0	0	0	110.9	D103 M109	D103-T105 PolarHBondContact O-N 3.01Å; D103-T105 WeakPolarHBondContact OD1-CB 3.49Å; D103-T105 PolarHBondContact OD1-N 3.46Å; D103-T105 VanDerWaalsContact OD1-N 3.12Å; D103-T105 PolarHBondContact OD1-OG1 3.21Å; T105-M109 HydrophobicContact CG2-CE 4.49Å; T105-M109 WeakPolarHBondContact O-CG 3.26Å; T105-M109 PolarHBondContact O-N 2.78Å
106	D	98	Very high	97	Very high	27 Å²	27	45.5 Å²	45.5	14%	0.144	23%	0.234	C	C	.	.	H	α-helix	trans	-77.6	-30.3	-179.6	68.5	38.7	0	0	0	113.2	I94 I108 M109 C110	I94-D106 HydrophobicContact CD1-CB 3.7Å; I94-D106 VanDerWaalsContact CD1-CG 3.44Å; I94-D106 VanDerWaalsContact CD1-OD2 3.32Å; I94-D106 WeakPolarHBondContact CD1-OD2 3.05Å; D106-I108 PolarHBondContact O-N 3.08Å; D106-M109 HydrophobicContact CB-CE 3.83Å; D106-M109 PolarHBondContact O-N 3.39Å; D106-C110 PolarHBondContact O-N 3.32Å
107	D	98.4	Very high	97	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-56.2	-49.7	167.1	-58.6	-115	0	0	0	111.5	F72 F99 I104 M109 C110 A111	F72-D107 HydrophobicContact CD2-CB 3.72Å; F72-D107 HydrophobicContact CE2-CB 3.79Å; F99-D107 WeakPolarHBondContact CA-OD1 3.31Å; F99-D107 WeakPolarHBondContact CB-OD1 3.39Å; F99-D107 HydrophobicContact CD1-CB 4.31Å; I104-D107 VanDerWaalsContact CA-OD2 3.32Å; I104-D107 WeakPolarHBondContact CA-OD2 3.34Å; I104-D107 HydrophobicContact CB-CB 4.31Å; D107-M109 VanDerWaalsContact C-N 3.31Å; D107-M109 PolarHBondContact O-N 3.2Å; D107-C110 PolarHBondContact O-N 3.16Å; D107-C110 VanDerWaalsContact O-N 3.13Å; D107-A111 WeakPolarHBondContact O-CB 2.99Å; D107-A111 PolarHBondContact O-N 3.42Å
108	I	97.8	Very high	96.9	Very high	21 Å²	21	49.5 Å²	49.5	11%	0.108	26%	0.258	C	S	.	.	H	α-helix	trans	-61.9	-40.8	179.7	-70.7	163.6	0	0	0	110.7	V30 L31 M34 F72 I104 D106 C110 A111 K112	V30-I108 HydrophobicContact CG1-CD1 3.9Å; L31-I108 HydrophobicContact CD2-CD1 3.7Å; L31-I108 HydrophobicContact CD2-CG1 3.69Å; M34-I108 HydrophobicContact CG-CG2 4.06Å; M34-I108 HydrophobicContact SD-CG1 4.33Å; M34-I108 HydrophobicContact SD-CG2 3.9Å; F72-I108 HydrophobicContact CE2-CG1 4.02Å; F72-I108 HydrophobicContact CZ-CG1 3.98Å; I104-I108 HydrophobicContact CD1-CD1 4.39Å; I104-I108 HydrophobicContact CG1-CD1 4.28Å; I104-I108 WeakPolarHBondContact O-CD1 3.39Å; I104-I108 VanDerWaalsContact O-CG1 3.23Å; I104-I108 WeakPolarHBondContact O-CG1 3.3Å; I104-I108 PolarHBondContact O-N 3.48Å; D106-I108 PolarHBondContact O-N 3.08Å; I108-C110 VanDerWaalsContact C-N 3.32Å; I108-C110 PolarHBondContact O-N 3.14Å; I108-A111 PolarHBondContact O-N 2.94Å; I108-K112 WeakPolarHBondContact O-CG 3.34Å; I108-K112 PolarHBondContact O-N 3.43Å
109	M	97.9	Very high	96.8	Very high	111 Å²	111	46.4 Å²	46.4	55%	0.547	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-40.4	175.9	-71.8	-170.6	-71	0	0	111.6	T105 D106 D107 K113	T105-M109 HydrophobicContact CG2-CE 4.49Å; T105-M109 WeakPolarHBondContact O-CG 3.26Å; T105-M109 PolarHBondContact O-N 2.78Å; D106-M109 HydrophobicContact CB-CE 3.83Å; D106-M109 PolarHBondContact O-N 3.39Å; D107-M109 VanDerWaalsContact C-N 3.31Å; D107-M109 PolarHBondContact O-N 3.2Å; M109-K113 PolarHBondContact O-N 2.83Å
110	C	98.6	Very high	96.7	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.014	26%	0.257	C	S	.	.	H	α-helix	trans	-70.6	-42.9	176.7	-173.5	0	0	0	0	112	I74 C92 F99 D106 D107 I108 K112 K113 I114	I74-C110 HydrophobicContact CD1-CB 3.93Å; C92-C110 HydrophobicContact CB-CB 3.75Å; C92-C110 WeakPolarHBondContact CB-SG 3.28Å; C92-C110 WeakPolarHBondContact SG-CA 3.24Å; C92-C110 WeakPolarHBondContact SG-CB 3.49Å; C92-C110 CovalentContact SG-SG 2.02Å; C92-C110 PolarHBondContact SG-SG 3.21Å; F99-C110 HydrophobicContact CE1-CB 3.94Å; F99-C110 HydrophobicContact CZ-CB 3.68Å; F99-C110 VanDerWaalsContact CZ-SG 3.55Å; D106-C110 PolarHBondContact O-N 3.32Å; D107-C110 PolarHBondContact O-N 3.16Å; D107-C110 VanDerWaalsContact O-N 3.13Å; I108-C110 VanDerWaalsContact C-N 3.32Å; I108-C110 PolarHBondContact O-N 3.14Å; C110-K112 VanDerWaalsContact C-N 3.27Å; C110-K112 PolarHBondContact O-N 3.33Å; C110-K113 WeakPolarHBondContact O-CA 3.45Å; C110-K113 WeakPolarHBondContact O-CB 3.45Å; C110-K113 PolarHBondContact O-N 3.48Å; C110-I114 WeakPolarHBondContact O-CG1 3.49Å; C110-I114 PolarHBondContact O-N 3.36Å
111	A	98.2	Very high	96.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.5	-37.7	175.8	0	0	0	0	0	112	M34 F72 D107 I108 I114 L115 W123	M34-A111 HydrophobicContact CE-CB 4.13Å; F72-A111 HydrophobicContact CD1-CB 3.86Å; F72-A111 HydrophobicContact CD2-CB 4.35Å; F72-A111 HydrophobicContact CE1-CB 3.96Å; F72-A111 HydrophobicContact CE2-CB 4.42Å; F72-A111 HydrophobicContact CG-CB 4.03Å; F72-A111 HydrophobicContact CZ-CB 4.21Å; D107-A111 WeakPolarHBondContact O-CB 2.99Å; D107-A111 PolarHBondContact O-N 3.42Å; I108-A111 PolarHBondContact O-N 2.94Å; A111-I114 WeakPolarHBondContact O-CB 3.41Å; A111-I114 PolarHBondContact O-N 2.78Å; A111-L115 VanDerWaalsContact O-CG 3.31Å; A111-L115 WeakPolarHBondContact O-CG 3.37Å; A111-L115 PolarHBondContact O-N 3.02Å; A111-W123 HydrophobicContact CB-CH2 4.35Å; A111-W123 HydrophobicContact CB-CZ2 4.28Å
112	K	97.7	Very high	96.7	Very high	56 Å²	56	49.1 Å²	49.1	24%	0.243	26%	0.261	C	S	.	.	H	α-helix	trans	-61.6	-42.6	172	-76.1	178.4	176.3	-178.4	0	112.6	D33 M34 Y37 I108 C110 I114 L115 D116	D33-K112 PolarHBondContact O-NZ 2.84Å; M34-K112 HydrophobicContact CE-CG 4.47Å; Y37-K112 HydrophobicContact CD1-CG 4.31Å; Y37-K112 HydrophobicContact CD2-CD 4.3Å; Y37-K112 HydrophobicContact CD2-CG 4.35Å; Y37-K112 HydrophobicContact CE1-CB 4.06Å; Y37-K112 HydrophobicContact CE1-CG 4.04Å; Y37-K112 HydrophobicContact CE2-CB 4.44Å; Y37-K112 HydrophobicContact CE2-CD 3.97Å; Y37-K112 HydrophobicContact CE2-CG 4.05Å; Y37-K112 HydrophobicContact CG-CG 4.46Å; I108-K112 WeakPolarHBondContact O-CG 3.34Å; I108-K112 PolarHBondContact O-N 3.43Å; C110-K112 VanDerWaalsContact C-N 3.27Å; C110-K112 PolarHBondContact O-N 3.33Å; K112-I114 VanDerWaalsContact C-N 3.3Å; K112-I114 PolarHBondContact O-N 2.69Å; K112-L115 WeakPolarHBondContact O-CB 3.34Å; K112-L115 PolarHBondContact O-N 3.24Å; K112-D116 PolarHBondContact O-N 2.95Å
113	K	98.3	Very high	97.1	Very high	90 Å²	90	45.1 Å²	45.1	39%	0.391	24%	0.239	S	C	.	.	H	α-helix	trans	-62.6	-37.7	174.2	-67	176.5	174.2	-176.1	0	112.3	I91 C92 M109 C110 D116 S117	I91-K113 PolarHBondContact O-NZ 3.46Å; C92-K113 PolarHBondContact O-NZ 2.03Å; C92-K113 VanDerWaalsContact O-NZ 3.12Å; M109-K113 PolarHBondContact O-N 2.83Å; C110-K113 WeakPolarHBondContact O-CA 3.45Å; C110-K113 WeakPolarHBondContact O-CB 3.45Å; C110-K113 PolarHBondContact O-N 3.48Å; K113-D116 PolarHBondContact O-N 2.97Å; K113-S117 WeakPolarHBondContact O-CB 3.01Å; K113-S117 PolarHBondContact O-N 3.31Å
114	I	98.4	Very high	97.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.6	-48.8	174.4	-65.4	173.7	0	0	0	109.6	I74 W79 C110 A111 K112 D116 S117 E118 G119 Y122 W123	I74-I114 HydrophobicContact CG1-CD1 4.03Å; I74-I114 HydrophobicContact CG2-CD1 4.2Å; W79-I114 HydrophobicContact CD2-CD1 3.99Å; W79-I114 HydrophobicContact CD2-CG1 3.55Å; W79-I114 HydrophobicContact CE3-CD1 4.36Å; W79-I114 HydrophobicContact CE3-CG1 3.53Å; W79-I114 HydrophobicContact CG-CD1 4.15Å; W79-I114 HydrophobicContact CG-CG1 4.23Å; W79-I114 HydrophobicContact CH2-CB 4.2Å; W79-I114 HydrophobicContact CH2-CG1 3.81Å; W79-I114 HydrophobicContact CH2-CG2 4.49Å; W79-I114 HydrophobicContact CZ2-CB 4.31Å; W79-I114 HydrophobicContact CZ2-CG1 3.8Å; W79-I114 HydrophobicContact CZ2-CG2 4.22Å; W79-I114 HydrophobicContact CZ3-CB 4.35Å; W79-I114 HydrophobicContact CZ3-CG1 3.65Å; C110-I114 WeakPolarHBondContact O-CG1 3.49Å; C110-I114 PolarHBondContact O-N 3.36Å; A111-I114 WeakPolarHBondContact O-CB 3.41Å; A111-I114 PolarHBondContact O-N 2.78Å; K112-I114 VanDerWaalsContact C-N 3.3Å; K112-I114 PolarHBondContact O-N 2.69Å; I114-D116 VanDerWaalsContact C-N 3.29Å; I114-D116 PolarHBondContact O-N 3.05Å; I114-S117 PolarHBondContact O-N 3.17Å; I114-S117 VanDerWaalsContact O-N 3.08Å; I114-E118 PolarHBondContact O-N 3.23Å; I114-G119 PolarHBondContact O-N 3.41Å; I114-Y122 HydrophobicContact CD1-CD1 4.28Å; I114-Y122 HydrophobicContact CD1-CE1 3.99Å; I114-Y122 VanDerWaalsContact CG2-CB 3.46Å; I114-Y122 HydrophobicContact CG2-CD1 3.56Å; I114-Y122 HydrophobicContact CG2-CD2 3.88Å; I114-Y122 HydrophobicContact CG2-CE1 4.3Å; I114-Y122 HydrophobicContact CG2-CG 3.31Å; I114-W123 HydrophobicContact CB-CH2 4.15Å; I114-W123 HydrophobicContact CG2-CH2 3.8Å; I114-W123 HydrophobicContact CG2-CZ2 4.34Å; I114-W123 HydrophobicContact CG2-CZ3 4.09Å
115	L	97	Very high	97.1	Very high	8 Å²	8	46.3 Å²	46.3	4%	0.042	25%	0.254	C	S	.	.	H	α-helix	trans	-58.5	-39.3	177.7	-74.3	175	0	0	0	113	M34 Y37 A38 I40 A111 K112 S117 G119 I120 W123	M34-L115 HydrophobicContact CE-CD1 3.62Å; Y37-L115 HydrophobicContact CD1-CB 4.09Å; Y37-L115 HydrophobicContact CD1-CD1 3.8Å; Y37-L115 HydrophobicContact CE1-CB 3.91Å; Y37-L115 HydrophobicContact CE1-CD1 4.35Å; A38-L115 HydrophobicContact CB-CB 4.31Å; I40-L115 HydrophobicContact CD1-CD1 3.97Å; I40-L115 HydrophobicContact CD1-CD2 3.2Å; I40-L115 HydrophobicContact CD1-CG 4.19Å; A111-L115 VanDerWaalsContact O-CG 3.31Å; A111-L115 WeakPolarHBondContact O-CG 3.37Å; A111-L115 PolarHBondContact O-N 3.02Å; K112-L115 WeakPolarHBondContact O-CB 3.34Å; K112-L115 PolarHBondContact O-N 3.24Å; L115-S117 VanDerWaalsContact C-N 3.29Å; L115-S117 PolarHBondContact O-N 3.45Å; L115-G119 VanDerWaalsContact O-CA 3.28Å; L115-G119 WeakPolarHBondContact O-CA 3.06Å; L115-G119 PolarHBondContact O-N 3.22Å; L115-G119 VanDerWaalsContact O-N 3.16Å; L115-I120 HydrophobicContact CD2-CB 4.27Å; L115-I120 HydrophobicContact CD2-CD1 4.24Å; L115-W123 HydrophobicContact CD2-CH2 4.15Å; L115-W123 HydrophobicContact CD2-CZ3 3.54Å; L115-W123 HydrophobicContact CG-CH2 4.03Å; L115-W123 HydrophobicContact CG-CZ3 3.95Å
116	D	97.1	Very high	97.1	Very high	107 Å²	107	43.2 Å²	43.2	57%	0.572	23%	0.233	S	C	*	.	H	α-helix	trans	-68.2	-27.9	177.3	-65.6	-21.5	0	0	0	113.3	Y37 K112 K113 I114	Y37-D116 VanDerWaalsContact CE1-OD1 3.22Å; Y37-D116 WeakPolarHBondContact CE1-OD1 3.21Å; Y37-D116 VanDerWaalsContact CZ-OD1 3.25Å; Y37-D116 PolarHBondContact OH-OD1 2.63Å; Y37-D116 PolarHBondContact OH-OD2 3.22Å; K112-D116 PolarHBondContact O-N 2.95Å; K113-D116 PolarHBondContact O-N 2.97Å; I114-D116 VanDerWaalsContact C-N 3.29Å; I114-D116 PolarHBondContact O-N 3.05Å
117	S	97.1	Very high	96.9	Very high	74 Å²	74	49.7 Å²	49.7	52%	0.517	26%	0.256	S	S	.	.	H	α-helix	trans	-98.5	-50.4	-174	-176.3	0	0	0	0	113.2	K113 I114 L115	K113-S117 WeakPolarHBondContact O-CB 3.01Å; K113-S117 PolarHBondContact O-N 3.31Å; I114-S117 PolarHBondContact O-N 3.17Å; I114-S117 VanDerWaalsContact O-N 3.08Å; L115-S117 VanDerWaalsContact C-N 3.29Å; L115-S117 PolarHBondContact O-N 3.45Å
118	E	97	Very high	96.9	Very high	99 Å²	99	54.3 Å²	54.3	46%	0.463	29%	0.286	S	S	.	.	H	α-helix	trans	-111.4	-13.8	-171.9	-55.2	-58.9	140.8	0	0	112.5	W79 I114	W79-E118 HydrophobicContact CH2-CG 4.03Å; W79-E118 HydrophobicContact CZ2-CG 3.65Å; I114-E118 PolarHBondContact O-N 3.23Å
119	G	96.4	Very high	96.8	Very high	23 Å²	23	57.6 Å²	57.6	24%	0.237	30%	0.303	C	S	.	.			trans	69.5	-171.4	-171.5	0	0	0	0	0	113.2	I114 L115 D121 Y122	I114-G119 PolarHBondContact O-N 3.41Å; L115-G119 VanDerWaalsContact O-CA 3.28Å; L115-G119 WeakPolarHBondContact O-CA 3.06Å; L115-G119 PolarHBondContact O-N 3.22Å; L115-G119 VanDerWaalsContact O-N 3.16Å; G119-D121 PolarHBondContact O-N 2.89Å; G119-Y122 PolarHBondContact O-N 2.83Å
120	I	95.1	Very high	96.8	Very high	22 Å²	22	52.3 Å²	52.3	11%	0.113	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-66.5	-17.3	-178.8	-166.9	66.4	0	0	0	113	I40 L45 T48 L115 Y122 W123 H126	I40-I120 HydrophobicContact CD1-CB 3.81Å; I40-I120 HydrophobicContact CD1-CD1 3.96Å; I40-I120 HydrophobicContact CD1-CG1 4.24Å; I40-I120 HydrophobicContact CG1-CB 4.09Å; I40-I120 HydrophobicContact CG1-CD1 4.44Å; I40-I120 HydrophobicContact CG1-CG1 4.4Å; I40-I120 HydrophobicContact CG2-CD1 4.32Å; L45-I120 HydrophobicContact CD1-CD1 4.41Å; T48-I120 HydrophobicContact CG2-CD1 4.36Å; L115-I120 HydrophobicContact CD2-CB 4.27Å; L115-I120 HydrophobicContact CD2-CD1 4.24Å; I120-Y122 PolarHBondContact O-N 3.23Å; I120-W123 HydrophobicContact CD1-CE3 3.79Å; I120-W123 HydrophobicContact CD1-CZ3 4.09Å; I120-W123 PolarHBondContact O-N 2.96Å; I120-W123 VanDerWaalsContact O-N 3.17Å; I120-H126 HydrophobicContact CG1-CB 4.05Å; I120-H126 VanDerWaalsContact CG1-CD2 3.47Å; I120-H126 WeakPolarHBondContact CG1-CD2 3.45Å; I120-H126 WeakPolarHBondContact CG2-CE1 3.49Å; I120-H126 WeakPolarHBondContact CG2-ND1 3.39Å
121	D	93.9	Very high	96.5	Very high	74 Å²	74	55.4 Å²	55.4	40%	0.396	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-72.8	-7.5	179.4	-72	-31.4	0	0	0	113.7	G119 W123 H126 R127	G119-D121 PolarHBondContact O-N 2.89Å; D121-W123 PolarHBondContact O-N 3.29Å; D121-H126 IonicContact OD1-ND1 2.65Å; D121-R127 WeakPolarHBondContact OD1-CG 3.29Å; D121-R127 IonicContact OD1-CZ 2.84Å; D121-R127 IonicContact OD1-NE 3.76Å; D121-R127 PolarHBondContact OD1-NE 2.96Å; D121-R127 IonicContact OD1-NH2 3.64Å; D121-R127 IonicContact OD2-CZ 3.24Å; D121-R127 IonicContact OD2-NE 3.65Å; D121-R127 PolarHBondContact OD2-NE 3.37Å; D121-R127 IonicContact OD2-NH2 3.37Å; D121-R127 PolarHBondContact OD2-NH2 2.9Å
122	Y	97.8	Very high	96.3	Very high	47 Å²	47	62.5 Å²	62.5	18%	0.184	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-54.4	-36.3	165.1	172.1	-95.9	0	0	0	111.4	Q73 S75 W79 I114 G119 I120 P124	Q73-Y122 PolarHBondContact O-OH 2.87Å; S75-Y122 PolarHBondContact N-OH 3.38Å; W79-Y122 AromaticContact CD1-CE2 3.84Å; W79-Y122 HydrophobicContact CZ2-CD2 4.47Å; W79-Y122 AromaticContact NE1-CD2 3.83Å; W79-Y122 AromaticContact NE1-CE2 3.16Å; W79-Y122 AromaticContact NE1-CZ 3.78Å; I114-Y122 HydrophobicContact CD1-CD1 4.28Å; I114-Y122 HydrophobicContact CD1-CE1 3.99Å; I114-Y122 VanDerWaalsContact CG2-CB 3.46Å; I114-Y122 HydrophobicContact CG2-CD1 3.56Å; I114-Y122 HydrophobicContact CG2-CD2 3.88Å; I114-Y122 HydrophobicContact CG2-CE1 4.3Å; I114-Y122 HydrophobicContact CG2-CG 3.31Å; G119-Y122 PolarHBondContact O-N 2.83Å; I120-Y122 PolarHBondContact O-N 3.23Å; Y122-P124 VanDerWaalsContact O-CD 3.29Å; Y122-P124 WeakPolarHBondContact O-CD 3.18Å
123	W	97.7	Very high	96.1	Very high	4 Å²	4	67.1 Å²	67.1	2%	0.015	35%	0.352	C	S	.	.	S	Bend	trans	-91.1	108.5	177.1	-64.2	-82.3	0	0	0	110.5	T48 F72 A111 I114 L115 I120 D121 A125 H126	T48-W123 HydrophobicContact CG2-CB 3.26Å; T48-W123 HydrophobicContact CG2-CD2 4.2Å; T48-W123 HydrophobicContact CG2-CG 3.63Å; F72-W123 HydrophobicContact CB-CZ2 4.31Å; F72-W123 HydrophobicContact CD1-CZ2 4.17Å; F72-W123 PolarHBondContact O-NE1 3.16Å; A111-W123 HydrophobicContact CB-CH2 4.35Å; A111-W123 HydrophobicContact CB-CZ2 4.28Å; I114-W123 HydrophobicContact CB-CH2 4.15Å; I114-W123 HydrophobicContact CG2-CH2 3.8Å; I114-W123 HydrophobicContact CG2-CZ2 4.34Å; I114-W123 HydrophobicContact CG2-CZ3 4.09Å; L115-W123 HydrophobicContact CD2-CH2 4.15Å; L115-W123 HydrophobicContact CD2-CZ3 3.54Å; L115-W123 HydrophobicContact CG-CH2 4.03Å; L115-W123 HydrophobicContact CG-CZ3 3.95Å; I120-W123 HydrophobicContact CD1-CE3 3.79Å; I120-W123 HydrophobicContact CD1-CZ3 4.09Å; I120-W123 PolarHBondContact O-N 2.96Å; I120-W123 VanDerWaalsContact O-N 3.17Å; D121-W123 PolarHBondContact O-N 3.29Å; W123-A125 PolarHBondContact O-N 3.12Å; W123-H126 WeakPolarHBondContact O-CB 3.35Å; W123-H126 PolarHBondContact O-N 3.03Å
124	P	96.6	Very high	96	Very high	112 Å²	112	63.8 Å²	63.8	73%	0.727	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-21	-171.6	-23.3	35.5	0	0	0	114.3	Y122 H126 P128	Y122-P124 VanDerWaalsContact O-CD 3.29Å; Y122-P124 WeakPolarHBondContact O-CD 3.18Å; P124-H126 VanDerWaalsContact C-N 3.27Å; P124-H126 PolarHBondContact O-N 3.1Å; P124-P128 WeakPolarHBondContact O-CD 3.39Å; P124-P128 WeakPolarHBondContact O-CG 3.16Å
125	A	94.5	Very high	95.8	Very high	13 Å²	13	70 Å²	70	11%	0.107	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-26.8	177	0	0	0	0	0	113.3	H51 W123 P128 L129	H51-A125 HydrophobicContact CB-CB 3.53Å; W123-A125 PolarHBondContact O-N 3.12Å; A125-P128 WeakPolarHBondContact O-CD 3.46Å; A125-L129 HydrophobicContact CB-CD1 4.24Å; A125-L129 WeakPolarHBondContact O-CB 3.2Å; A125-L129 PolarHBondContact O-N 3.47Å; A125-L129 VanDerWaalsContact O-N 3.08Å
126	H	96	Very high	95.7	Very high	17 Å²	17	75.3 Å²	75.3	8%	0.079	39%	0.392	C	S	.	.	H	α-helix	trans	-56.4	-61.8	-170.3	171.8	-108.9	0	0	0	112.6	T48 I120 D121 W123 P124 C130	T48-H126 HydrophobicContact CG2-CB 4.24Å; I120-H126 HydrophobicContact CG1-CB 4.05Å; I120-H126 VanDerWaalsContact CG1-CD2 3.47Å; I120-H126 WeakPolarHBondContact CG1-CD2 3.45Å; I120-H126 WeakPolarHBondContact CG2-CE1 3.49Å; I120-H126 WeakPolarHBondContact CG2-ND1 3.39Å; D121-H126 IonicContact OD1-ND1 2.65Å; W123-H126 WeakPolarHBondContact O-CB 3.35Å; W123-H126 PolarHBondContact O-N 3.03Å; P124-H126 VanDerWaalsContact C-N 3.27Å; P124-H126 PolarHBondContact O-N 3.1Å; H126-C130 CarbonylContact O-C 3.53Å; H126-C130 VanDerWaalsContact O-CA 3.3Å; H126-C130 WeakPolarHBondContact O-CA 3.35Å; H126-C130 VanDerWaalsContact O-CB 3.31Å; H126-C130 WeakPolarHBondContact O-CB 3.12Å; H126-C130 PolarHBondContact O-N 2.94Å
127	R	94.6	Very high	95.7	Very high	163 Å²	163	71.5 Å²	71.5	62%	0.615	37%	0.37	S	S	*	.	H	α-helix	trans	-59	-51.7	-176.6	-61.4	-172	-161.8	154.7	0.1	113.8	D121 S131	D121-R127 WeakPolarHBondContact OD1-CG 3.29Å; D121-R127 IonicContact OD1-CZ 2.84Å; D121-R127 IonicContact OD1-NE 3.76Å; D121-R127 PolarHBondContact OD1-NE 2.96Å; D121-R127 IonicContact OD1-NH2 3.64Å; D121-R127 IonicContact OD2-CZ 3.24Å; D121-R127 IonicContact OD2-NE 3.65Å; D121-R127 PolarHBondContact OD2-NE 3.37Å; D121-R127 IonicContact OD2-NH2 3.37Å; D121-R127 PolarHBondContact OD2-NH2 2.9Å; R127-S131 PolarHBondContact O-OG 3.22Å
128	P	97.1	Very high	95.5	Very high	98 Å²	98	73 Å²	73	64%	0.636	37%	0.368	S	S	*	.	H	α-helix	trans	-74.6	-26.3	-174.4	27	-34.4	0	0	0	114.6	P124 A125	P124-P128 WeakPolarHBondContact O-CD 3.39Å; P124-P128 WeakPolarHBondContact O-CG 3.16Å; A125-P128 WeakPolarHBondContact O-CD 3.46Å
129	L	97	Very high	95.3	Very high	90 Å²	90	70.2 Å²	70.2	47%	0.471	36%	0.359	S	S	.	.	H	α-helix	trans	-117.4	-22.8	-169.2	-56.6	175	0	0	0	113.7	H51 A125	H51-L129 HydrophobicContact CB-CD1 4.04Å; A125-L129 HydrophobicContact CB-CD1 4.24Å; A125-L129 WeakPolarHBondContact O-CB 3.2Å; A125-L129 PolarHBondContact O-N 3.47Å; A125-L129 VanDerWaalsContact O-N 3.08Å
130	C	96.5	Very high	94.7	Very high	0 Å²	0	76.9 Å²	76.9	0%	0	38%	0.384	C	S	.	.	S	Bend	trans	-123.3	21.6	-167.2	-54.2	0	0	0	0	113.5	C47 T48 H126 L134	C47-C130 HydrophobicContact CB-CB 3.61Å; C47-C130 WeakPolarHBondContact CB-SG 3.31Å; C47-C130 WeakPolarHBondContact SG-CA 3.47Å; C47-C130 WeakPolarHBondContact SG-CB 3.36Å; C47-C130 CovalentContact SG-SG 2.04Å; C47-C130 PolarHBondContact SG-SG 2.99Å; T48-C130 PolarHBondContact N-SG 3.36Å; T48-C130 VanDerWaalsContact N-SG 3.37Å; H126-C130 CarbonylContact O-C 3.53Å; H126-C130 VanDerWaalsContact O-CA 3.3Å; H126-C130 WeakPolarHBondContact O-CA 3.35Å; H126-C130 VanDerWaalsContact O-CB 3.31Å; H126-C130 WeakPolarHBondContact O-CB 3.12Å; H126-C130 PolarHBondContact O-N 2.94Å; C130-L134 WeakPolarHBondContact O-CD2 3.23Å
131	S	93.3	Very high	93.1	Very high	67 Å²	67	84.9 Å²	84.9	47%	0.469	42%	0.419	S	S	.	.	S	Bend	trans	-94.8	-13.4	175	-56.3	0	0	0	0	113.6	R127	R127-S131 PolarHBondContact O-OG 3.22Å
132	E	93.3	Very high	91.4	Very high	148 Å²	148	90.8 Å²	90.8	69%	0.692	46%	0.461	S	S	*	.	S	Bend	trans	-144	167.8	-175.5	-64.1	-174	179.9	0	0	111.2	L134	E132-L134 VanDerWaalsContact C-N 3.29Å; E132-L134 PolarHBondContact O-N 3.16Å
133	K	94	Very high	91	Very high	153 Å²	153	93 Å²	93	67%	0.665	48%	0.475	S	S	*	.			trans	53.2	45.2	176.4	-58.9	177.5	-177	172.5	0	112.6	E135 Q136	K133-E135 VanDerWaalsContact C-N 3.29Å; K133-E135 VanDerWaalsContact CA-OE2 3.27Å; K133-E135 WeakPolarHBondContact CA-OE2 3.26Å; K133-E135 PolarHBondContact O-N 3.38Å; K133-Q136 WeakPolarHBondContact O-CG 3.39Å; K133-Q136 PolarHBondContact O-NE2 2.76Å
134	L	95.6	Very high	90.7	Very high	20 Å²	20	97.7 Å²	97.7	11%	0.105	50%	0.499	C	S	.	.	G	3₁₀ helix	trans	-79.9	-12.2	-171.8	-70.3	178.7	0	0	0	113.9	I41 S43 E44 C130 E132 Q136 W137	I41-L134 HydrophobicContact CD1-CD1 3.48Å; I41-L134 VanDerWaalsContact CD1-CD1 3.48Å; I41-L134 HydrophobicContact CG1-CD1 4.44Å; S43-L134 WeakPolarHBondContact CB-O 3.25Å; E44-L134 HydrophobicContact CG-CD1 3.56Å; E44-L134 HydrophobicContact CG-CD2 4.25Å; C130-L134 WeakPolarHBondContact O-CD2 3.23Å; E132-L134 VanDerWaalsContact C-N 3.29Å; E132-L134 PolarHBondContact O-N 3.16Å; L134-Q136 PolarHBondContact O-N 3.01Å; L134-W137 WeakPolarHBondContact O-CB 3.41Å; L134-W137 PolarHBondContact O-N 3.13Å
135	E	94.9	Very high	90.4	Very high	131 Å²	131	96.9 Å²	96.9	61%	0.612	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-60.1	-36.2	-179.6	-55.3	76	-164.1	0	0	110.9	K133 W137 Q138	K133-E135 VanDerWaalsContact C-N 3.29Å; K133-E135 VanDerWaalsContact CA-OE2 3.27Å; K133-E135 WeakPolarHBondContact CA-OE2 3.26Å; K133-E135 PolarHBondContact O-N 3.38Å; E135-W137 PolarHBondContact O-N 2.89Å; E135-W137 VanDerWaalsContact O-N 3.17Å; E135-Q138 WeakPolarHBondContact O-CB 3.43Å; E135-Q138 PolarHBondContact O-N 2.79Å
136	Q	94.8	Very high	90.1	Very high	119 Å²	119	101.8 Å²	101.8	56%	0.556	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-63.4	-22.2	178.1	76.2	-170.8	-61.1	0	0	113.5	K24 K133 L134	K24-Q136 PolarHBondContact NZ-O 3.27Å; K133-Q136 WeakPolarHBondContact O-CG 3.39Å; K133-Q136 PolarHBondContact O-NE2 2.76Å; L134-Q136 PolarHBondContact O-N 3.01Å
137	W	95.9	Very high	89.8	Confident	27 Å²	27	107.1 Å²	107.1	10%	0.102	54%	0.536	C	S	.	.	G	3₁₀ helix	trans	-90.8	-1.5	-177.8	-61.3	110	0	0	0	113.3	K24 I46 C47 F50 H51 L134 E135	K24-W137 HydrophobicContact CD-CE3 4.4Å; I46-W137 HydrophobicContact CG2-CB 4.47Å; I46-W137 HydrophobicContact CG2-CE3 4.17Å; C47-W137 HydrophobicContact CB-CD2 3.73Å; C47-W137 HydrophobicContact CB-CE3 4.48Å; C47-W137 HydrophobicContact CB-CG 3.73Å; C47-W137 HydrophobicContact CB-CZ2 4.27Å; C47-W137 PolarHBondContact SG-NE1 3.29Å; C47-W137 VanDerWaalsContact SG-NE1 3.35Å; F50-W137 HydrophobicContact CB-CH2 3.82Å; F50-W137 HydrophobicContact CB-CZ3 3.62Å; F50-W137 AromaticContact CD1-CH2 3.26Å; F50-W137 HydrophobicContact CD1-CH2 3.26Å; F50-W137 HydrophobicContact CD1-CZ2 4.23Å; F50-W137 AromaticContact CD1-CZ3 3.84Å; F50-W137 HydrophobicContact CD1-CZ3 3.84Å; F50-W137 HydrophobicContact CD2-CH2 4.34Å; F50-W137 HydrophobicContact CD2-CZ3 4.15Å; F50-W137 AromaticContact CE1-CH2 3.82Å; F50-W137 HydrophobicContact CE1-CH2 3.82Å; F50-W137 AromaticContact CG-CH2 3.53Å; F50-W137 HydrophobicContact CG-CH2 3.53Å; F50-W137 AromaticContact CG-CZ3 3.58Å; F50-W137 HydrophobicContact CG-CZ3 3.58Å; H51-W137 AromaticContact NE2-CZ2 3.79Å; L134-W137 WeakPolarHBondContact O-CB 3.41Å; L134-W137 PolarHBondContact O-N 3.13Å; E135-W137 PolarHBondContact O-N 2.89Å; E135-W137 VanDerWaalsContact O-N 3.17Å
138	Q	94	Very high	89.4	Confident	105 Å²	105	103.4 Å²	103.4	49%	0.491	53%	0.53	S	S	.	.	S	Bend	trans	-72.2	136.8	173	-61.9	179.4	1.4	0	0	110.2	K24 E135 E140	K24-Q138 VanDerWaalsContact CE-O 3.31Å; K24-Q138 WeakPolarHBondContact CE-O 3.31Å; K24-Q138 PolarHBondContact NZ-O 3.12Å; E135-Q138 WeakPolarHBondContact O-CB 3.43Å; E135-Q138 PolarHBondContact O-N 2.79Å; Q138-E140 PolarHBondContact O-N 2.65Å
139	C	92.5	Very high	88.9	Confident	41 Å²	41	103.8 Å²	103.8	28%	0.277	52%	0.523	S	S	.	.			trans	-83.9	105	167	173.5	0	0	0	0	108.6	C25	C25-C139 WeakPolarHBondContact CA-SG 3.35Å; C25-C139 HydrophobicContact CB-CB 4.01Å; C25-C139 WeakPolarHBondContact CB-SG 3.46Å; C25-C139 WeakPolarHBondContact SG-CB 3.34Å; C25-C139 CovalentContact SG-SG 2.03Å; C25-C139 PolarHBondContact SG-SG 3.33Å
140	E	83.4	Confident	88.3	Confident	163 Å²	163	104.8 Å²	104.8	76%	0.762	53%	0.527	S	S	*	.			trans	-72.1	127.6	167.9	-65.9	-180	178.7	0	0	108.1	Q138	Q138-E140 PolarHBondContact O-N 2.65Å
141	K	62.3	Low	87.6	Confident	191 Å²	191	113.6 Å²	113.6	83%	0.83	57%	0.571	S	S	*	*			trans	-68.9	134.1	165.6	-71.4	-176.7	-173.9	177.7	0	107.2
142	P	57.1	Low	87.1	Confident	198 Å²	198	117.8 Å²	117.8	100%	1.286	58%	0.58	S	S	*	*			trans	-58.9	0	169	27.1	-34	0	0	0	111.6

Retrieved 142 of 142 residues in 26.7 ms (Link to these results)

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