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Alpha-lactalbumin

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 (P29752), UniProt , Accession A0A077S9Z6, Species MOUSE (Mus musculus, Mouse), Gene Lalba, Length 143 aa.

						>A0A077S9Z6_MOUSE|A0A077S9Z6|Lalba
MMHFVPLFLVCILSLPAFQATELTKCKVSHAIKDIDGYQGISLLEWACVLFHTSGYDTQAVVNDNGSTEYGLFQISDRFWCKSSEFPESENICGISCDKLLDDELDDDIACAKKILAIKGIDYWKAYKPMCSEKLEQWRCEKP
					

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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	45.9	Very low	56.8	Low	208 Å²	208	147.4 Å²	147.4	100%	1.025	77%	0.768	S	S	*	*				0	98.2	0	-168.6	163.9	150.5	0	0	106.8	H3	M1-H3 PolarHBondContact O-N 2.79Å
2	M	57.3	Low	57	Low	160 Å²	160	146.8 Å²	146.8	79%	0.788	76%	0.764	S	S	*	*			trans	-88.8	102.6	-171.9	-134.5	158	67	0	0	107.5	F4	M2-F4 HydrophobicContact CE-CE2 3.88Å; M2-F4 HydrophobicContact CE-CZ 3.91Å; M2-F4 PolarHBondContact O-N 2.9Å; M2-F4 VanDerWaalsContact O-N 3.1Å
3	H	58.3	Low	56.9	Low	144 Å²	144	147.5 Å²	147.5	67%	0.667	77%	0.768	S	S	*	*			trans	-73.9	100.2	175	-73.6	-68.1	0	0	0	108.8	M1 V5	M1-H3 PolarHBondContact O-N 2.79Å; H3-V5 HydrophobicContact CB-CG2 4.5Å; H3-V5 PolarHBondContact O-N 3.29Å
4	F	57.7	Low	57	Low	176 Å²	176	143.6 Å²	143.6	77%	0.772	76%	0.76	S	S	*	*			trans	-67.9	89.2	159	-75.7	-88.3	0	0	0	107.4	M2 P6	M2-F4 HydrophobicContact CE-CE2 3.88Å; M2-F4 HydrophobicContact CE-CZ 3.91Å; M2-F4 PolarHBondContact O-N 2.9Å; M2-F4 VanDerWaalsContact O-N 3.1Å; F4-P6 VanDerWaalsContact O-CD 3.29Å; F4-P6 WeakPolarHBondContact O-CD 3.45Å
5	V	59.5	Low	57.1	Low	126 Å²	126	140.6 Å²	140.6	76%	0.764	74%	0.744	S	S	*	*			trans	-73.1	112.9	164.4	-178.4	0	0	0	0	105.7	H3 L7	H3-V5 HydrophobicContact CB-CG2 4.5Å; H3-V5 PolarHBondContact O-N 3.29Å; V5-L7 PolarHBondContact O-N 3.15Å
6	P	56.4	Low	57.4	Low	88 Å²	88	137.3 Å²	137.3	57%	0.571	73%	0.732	S	S	*	*			trans	-69.7	124.7	-171.5	-11.7	27.3	0	0	0	109.1	F4 F8	F4-P6 VanDerWaalsContact O-CD 3.29Å; F4-P6 WeakPolarHBondContact O-CD 3.45Å; P6-F8 HydrophobicContact CB-CD2 3.85Å; P6-F8 PolarHBondContact O-N 3Å
7	L	59.4	Low	57.8	Low	156 Å²	156	133.4 Å²	133.4	82%	0.817	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	32.5	173.6	-164	75.7	0	0	0	112.7	V5	V5-L7 PolarHBondContact O-N 3.15Å
8	F	55.6	Low	58.5	Low	181 Å²	181	133.9 Å²	133.9	79%	0.794	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-8.2	179.8	-79.1	-74.5	0	0	0	113.4	P6	P6-F8 HydrophobicContact CB-CD2 3.85Å; P6-F8 PolarHBondContact O-N 3Å
9	L	58	Low	59.4	Low	165 Å²	165	133.6 Å²	133.6	86%	0.864	71%	0.712	S	S	*	*	S	Bend	trans	-86.8	-1.7	-179.1	-100.2	144.6	0	0	0	114.9
10	V	58	Low	60.5	Low	114 Å²	114	129.6 Å²	129.6	69%	0.691	70%	0.699	S	S	*	*	S	Bend	trans	-97.3	-11.2	-174.9	-171.1	0	0	0	0	113.7
11	C	58.8	Low	61.7	Low	103 Å²	103	127.1 Å²	127.1	70%	0.696	69%	0.689	S	S	*	*	S	Bend	trans	-96.5	2.7	-166.7	-85.6	0	0	0	0	118.4
12	I	58.6	Low	63.7	Low	140 Å²	140	119.2 Å²	119.2	72%	0.718	65%	0.649	S	S	*	*	S	Bend	trans	-106.6	-13.2	-173.2	-57.4	177.9	0	0	0	114.1
13	L	56.5	Low	65.2	Low	156 Å²	156	116.1 Å²	116.1	82%	0.817	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-1	-171.7	-70.2	170.2	0	0	0	116.1	P16	L13-P16 WeakPolarHBondContact O-CD 3.35Å
14	S	57.4	Low	66.9	Low	94 Å²	94	112.2 Å²	112.2	66%	0.657	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-0.6	-178	50	0	0	0	0	115.5
15	L	58.9	Low	68.6	Low	98 Å²	98	104.5 Å²	104.5	51%	0.513	59%	0.588	S	S	.	*	H	α-helix	trans	-83.6	-25.1	-177.1	-62.1	174.9	0	0	0	117.5	A17 Q19	L15-A17 PolarHBondContact O-N 3.29Å; L15-Q19 WeakPolarHBondContact O-CG 3.42Å; L15-Q19 PolarHBondContact O-N 3.22Å
16	P	61.7	Low	70.4	Confident	87 Å²	87	98.5 Å²	98.5	57%	0.565	55%	0.551	S	S	*	*	H	α-helix	trans	-65.6	-43.3	-171.1	-20.1	29.9	0	0	0	113.9	L13 A20	L13-P16 WeakPolarHBondContact O-CD 3.35Å; P16-A20 PolarHBondContact O-N 3.08Å
17	A	65.3	Low	72.2	Confident	72 Å²	72	101.2 Å²	101.2	60%	0.595	55%	0.554	S	S	*	*	H	α-helix	trans	-71.4	-42.1	-173.1	0	0	0	0	0	112.4	L15 A20 T21	L15-A17 PolarHBondContact O-N 3.29Å; A17-A20 PolarHBondContact O-N 3.25Å; A17-T21 PolarHBondContact O-N 3.32Å; A17-T21 VanDerWaalsContact O-N 3.16Å; A17-T21 PolarHBondContact O-OG1 3.23Å
18	F	69.5	Low	74	Confident	142 Å²	142	94.2 Å²	94.2	62%	0.623	52%	0.518	S	S	*	.	H	α-helix	trans	-64.5	-41.8	179.5	-179.7	-100.4	0	0	0	112	T21 E22	F18-T21 PolarHBondContact O-N 2.92Å; F18-T21 PolarHBondContact O-OG1 2.87Å; F18-E22 PolarHBondContact O-N 3.3Å; F18-E22 VanDerWaalsContact O-N 3.16Å
19	Q	76	Confident	75.9	Confident	128 Å²	128	86 Å²	86	60%	0.598	48%	0.482	S	S	*	.	H	α-helix	trans	-65.7	-38.8	177.4	-70.3	-173.2	-38.8	0	0	112.1	L15 E22 L23	L15-Q19 WeakPolarHBondContact O-CG 3.42Å; L15-Q19 PolarHBondContact O-N 3.22Å; Q19-E22 PolarHBondContact O-N 3.1Å; Q19-L23 WeakPolarHBondContact O-CB 3.26Å; Q19-L23 PolarHBondContact O-N 3.29Å
20	A	81.2	Confident	77.7	Confident	54 Å²	54	83 Å²	83	45%	0.446	46%	0.464	S	S	.	.	H	α-helix	trans	-63.5	-44.5	177.7	0	0	0	0	0	112.2	P16 A17 E22 L23 T24	P16-A20 PolarHBondContact O-N 3.08Å; A17-A20 PolarHBondContact O-N 3.25Å; A20-E22 PolarHBondContact O-N 2.77Å; A20-L23 PolarHBondContact O-N 3.01Å; A20-T24 PolarHBondContact O-N 3.47Å; A20-T24 PolarHBondContact O-OG1 3.45Å; A20-T24 VanDerWaalsContact O-OG1 3.09Å
21	T	84.7	Confident	79.5	Confident	78 Å²	78	80 Å²	80	48%	0.479	45%	0.451	S	S	.	.	H	α-helix	trans	-65.4	-38.7	178.7	50.6	0	0	0	0	112.6	A17 F18 T24 K25	A17-T21 PolarHBondContact O-N 3.32Å; A17-T21 VanDerWaalsContact O-N 3.16Å; A17-T21 PolarHBondContact O-OG1 3.23Å; F18-T21 PolarHBondContact O-N 2.92Å; F18-T21 PolarHBondContact O-OG1 2.87Å; T21-T24 PolarHBondContact O-N 3.41Å; T21-K25 WeakPolarHBondContact O-CB 3.36Å; T21-K25 PolarHBondContact O-N 2.92Å
22	E	88.3	Confident	81.4	Confident	41 Å²	41	75.1 Å²	75.1	19%	0.192	42%	0.418	C	S	.	.	H	α-helix	trans	-65.7	-44.4	177.2	-173.5	61.9	-160.9	0	0	111.5	F18 Q19 A20 T24 K25 C26	F18-E22 PolarHBondContact O-N 3.3Å; F18-E22 VanDerWaalsContact O-N 3.16Å; Q19-E22 PolarHBondContact O-N 3.1Å; A20-E22 PolarHBondContact O-N 2.77Å; E22-T24 PolarHBondContact O-N 3.47Å; E22-K25 WeakPolarHBondContact O-CB 3.27Å; E22-K25 PolarHBondContact O-N 2.86Å; E22-K25 WeakPolarHBondContact OE1-CE 3.42Å; E22-K25 IonicContact OE1-NZ 2.87Å; E22-K25 PolarHBondContact OE1-NZ 3.07Å; E22-K25 VanDerWaalsContact OE2-CE 3.24Å; E22-K25 WeakPolarHBondContact OE2-CE 3.31Å; E22-K25 IonicContact OE2-NZ 2.91Å; E22-K25 PolarHBondContact OE2-NZ 2.76Å; E22-C26 PolarHBondContact O-N 3.44Å
23	L	90	Very high	83.2	Confident	96 Å²	96	74.4 Å²	74.4	50%	0.503	41%	0.41	S	S	.	.	H	α-helix	trans	-59.7	-45.3	176.6	179	63	0	0	0	111.5	Q19 A20 C26 K27 P143	Q19-L23 WeakPolarHBondContact O-CB 3.26Å; Q19-L23 PolarHBondContact O-N 3.29Å; A20-L23 PolarHBondContact O-N 3.01Å; L23-C26 PolarHBondContact O-N 3.05Å; L23-K27 WeakPolarHBondContact O-CB 3.21Å; L23-K27 PolarHBondContact O-N 2.92Å; L23-P143 WeakPolarHBondContact CD1-OXT 3.43Å
24	T	93	Very high	85.1	Confident	61 Å²	61	72.7 Å²	72.7	37%	0.374	40%	0.401	S	S	.	.	H	α-helix	trans	-63.1	-45.3	177.3	-58.8	0	0	0	0	111.6	A20 T21 E22 C26 K27 V28 Y56	A20-T24 PolarHBondContact O-N 3.47Å; A20-T24 PolarHBondContact O-OG1 3.45Å; A20-T24 VanDerWaalsContact O-OG1 3.09Å; T21-T24 PolarHBondContact O-N 3.41Å; E22-T24 PolarHBondContact O-N 3.47Å; T24-C26 VanDerWaalsContact C-N 3.31Å; T24-C26 PolarHBondContact O-N 3.01Å; T24-K27 PolarHBondContact O-N 3.32Å; T24-V28 PolarHBondContact O-N 3.45Å; T24-Y56 HydrophobicContact CG2-CD2 4.33Å; T24-Y56 HydrophobicContact CG2-CG 4.37Å
25	K	94.7	Very high	87	Confident	15 Å²	15	68.2 Å²	68.2	7%	0.065	37%	0.37	C	S	.	.	H	α-helix	trans	-54.9	-47.3	174.9	177.5	-178.3	85.3	-170.1	0	111.4	T21 E22 S29 Y56 Q137 W138 R139	T21-K25 WeakPolarHBondContact O-CB 3.36Å; T21-K25 PolarHBondContact O-N 2.92Å; E22-K25 WeakPolarHBondContact O-CB 3.27Å; E22-K25 PolarHBondContact O-N 2.86Å; E22-K25 WeakPolarHBondContact OE1-CE 3.42Å; E22-K25 IonicContact OE1-NZ 2.87Å; E22-K25 PolarHBondContact OE1-NZ 3.07Å; E22-K25 VanDerWaalsContact OE2-CE 3.24Å; E22-K25 WeakPolarHBondContact OE2-CE 3.31Å; E22-K25 IonicContact OE2-NZ 2.91Å; E22-K25 PolarHBondContact OE2-NZ 2.76Å; K25-S29 VanDerWaalsContact O-CB 3.28Å; K25-S29 WeakPolarHBondContact O-CB 3.33Å; K25-S29 PolarHBondContact O-N 3.45Å; K25-S29 PolarHBondContact O-OG 2.89Å; K25-Y56 HydrophobicContact CB-CD2 4.45Å; K25-Y56 HydrophobicContact CB-CE2 3.71Å; K25-Y56 HydrophobicContact CG-CE2 4.04Å; K25-Y56 WeakPolarHBondContact CG-OH 3.32Å; K25-Q137 PolarHBondContact NZ-O 2.87Å; K25-W138 HydrophobicContact CD-CE3 4.37Å; K25-R139 WeakPolarHBondContact CE-O 3.21Å; K25-R139 PolarHBondContact NZ-O 2.8Å
26	C	96	Very high	88.8	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-64.9	-45.4	178.7	-80.2	0	0	0	0	112.2	E22 L23 T24 V28 S29 H30 C140 K142	E22-C26 PolarHBondContact O-N 3.44Å; L23-C26 PolarHBondContact O-N 3.05Å; T24-C26 VanDerWaalsContact C-N 3.31Å; T24-C26 PolarHBondContact O-N 3.01Å; C26-V28 PolarHBondContact O-N 3.25Å; C26-S29 PolarHBondContact O-N 3.26Å; C26-H30 WeakPolarHBondContact O-CB 3.48Å; C26-H30 PolarHBondContact O-CD2 3.4Å; C26-H30 PolarHBondContact O-N 3.3Å; C26-C140 HydrophobicContact CB-CB 4.06Å; C26-C140 WeakPolarHBondContact CB-SG 3.44Å; C26-C140 WeakPolarHBondContact SG-CA 3.23Å; C26-C140 WeakPolarHBondContact SG-CB 3.34Å; C26-C140 CovalentContact SG-SG 2.03Å; C26-C140 PolarHBondContact SG-SG 3.08Å; C26-K142 PolarHBondContact SG-O 3.44Å
27	K	95.2	Very high	90.6	Very high	145 Å²	145	65.5 Å²	65.5	63%	0.63	36%	0.362	S	S	*	.	H	α-helix	trans	-57.2	-48.7	176.8	-173.3	-172.8	176.8	-164.4	0	111.3	L23 T24 H30 A31	L23-K27 WeakPolarHBondContact O-CB 3.21Å; L23-K27 PolarHBondContact O-N 2.92Å; T24-K27 PolarHBondContact O-N 3.32Å; K27-H30 PolarHBondContact O-N 2.89Å; K27-A31 WeakPolarHBondContact O-CB 3.26Å; K27-A31 PolarHBondContact O-N 2.03Å
28	V	95.6	Very high	92.2	Very high	9 Å²	9	65.7 Å²	65.7	6%	0.055	35%	0.348	C	S	.	.	H	α-helix	trans	-65.3	-45.7	177.8	169.7	0	0	0	0	111.5	T24 C26 H30 A31 I32 L50 Y56 L72	T24-V28 PolarHBondContact O-N 3.45Å; C26-V28 PolarHBondContact O-N 3.25Å; V28-H30 PolarHBondContact O-N 3.14Å; V28-A31 PolarHBondContact O-N 3.08Å; V28-I32 HydrophobicContact CG1-CD1 4.27Å; V28-I32 HydrophobicContact CG1-CG2 4.18Å; V28-I32 WeakPolarHBondContact O-CG1 3.11Å; V28-I32 PolarHBondContact O-N 3.48Å; V28-L50 HydrophobicContact CG1-CD1 3.97Å; V28-Y56 HydrophobicContact CB-CD1 3.99Å; V28-Y56 HydrophobicContact CB-CE1 4.46Å; V28-Y56 HydrophobicContact CB-CG 4.48Å; V28-Y56 HydrophobicContact CG1-CD1 3.78Å; V28-Y56 HydrophobicContact CG1-CE1 4.16Å; V28-Y56 HydrophobicContact CG2-CD1 4.13Å; V28-Y56 HydrophobicContact CG2-CG 4.26Å; V28-L72 HydrophobicContact CG1-CD1 4.16Å; V28-L72 HydrophobicContact CG1-CD2 3.91Å
29	S	96.6	Very high	93.5	Very high	7 Å²	7	65.1 Å²	65.1	5%	0.049	35%	0.347	C	S	.	.	H	α-helix	trans	-58.5	-36.6	178.3	-60.6	0	0	0	0	112.3	K25 C26 K33	K25-S29 VanDerWaalsContact O-CB 3.28Å; K25-S29 WeakPolarHBondContact O-CB 3.33Å; K25-S29 PolarHBondContact O-N 3.45Å; K25-S29 PolarHBondContact O-OG 2.89Å; C26-S29 PolarHBondContact O-N 3.26Å; S29-K33 PolarHBondContact O-N 3.25Å
30	H	96.1	Very high	94.5	Very high	103 Å²	103	62 Å²	62	48%	0.477	35%	0.349	S	S	.	.	H	α-helix	trans	-69.6	-42.8	173.7	-81.9	-62.2	0	0	0	112.5	C26 K27 V28 K33	C26-H30 WeakPolarHBondContact O-CB 3.48Å; C26-H30 PolarHBondContact O-CD2 3.4Å; C26-H30 PolarHBondContact O-N 3.3Å; K27-H30 PolarHBondContact O-N 2.89Å; V28-H30 PolarHBondContact O-N 3.14Å; H30-K33 WeakPolarHBondContact O-CB 3.46Å; H30-K33 PolarHBondContact O-N 3.33Å
31	A	96.2	Very high	95.3	Very high	51 Å²	51	60 Å²	60	42%	0.421	33%	0.331	S	S	.	.	H	α-helix	trans	-68.5	-33.5	-178	0	0	0	0	0	112.9	K27 V28 L105	K27-A31 WeakPolarHBondContact O-CB 3.26Å; K27-A31 PolarHBondContact O-N 2.03Å; V28-A31 PolarHBondContact O-N 3.08Å; A31-L105 HydrophobicContact CB-CD1 3.74Å
32	I	97.2	Very high	96	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	5.1	179	74.1	-175.6	0	0	0	114.1	V28 D34 I35 L43 W46 L50 L72 F73 L105 I109	V28-I32 HydrophobicContact CG1-CD1 4.27Å; V28-I32 HydrophobicContact CG1-CG2 4.18Å; V28-I32 WeakPolarHBondContact O-CG1 3.11Å; V28-I32 PolarHBondContact O-N 3.48Å; I32-D34 PolarHBondContact O-N 3.08Å; I32-I35 HydrophobicContact CB-CG2 4.3Å; I32-I35 HydrophobicContact CG1-CG2 4.45Å; I32-I35 WeakPolarHBondContact O-CG2 3.29Å; I32-I35 PolarHBondContact O-N 3.45Å; I32-L43 HydrophobicContact CD1-CD1 3.96Å; I32-L43 HydrophobicContact CG1-CD1 3.59Å; I32-W46 HydrophobicContact CD1-CB 3.89Å; I32-L50 HydrophobicContact CD1-CD1 3.38Å; I32-L50 HydrophobicContact CG2-CD1 4.18Å; I32-L72 HydrophobicContact CG2-CD2 3.95Å; I32-F73 HydrophobicContact CG2-CZ 4.23Å; I32-L105 HydrophobicContact CG2-CD1 4.06Å; I32-I109 HydrophobicContact CB-CD1 4.34Å; I32-I109 HydrophobicContact CG2-CD1 4.44Å
33	K	96.3	Very high	96.4	Very high	125 Å²	125	57.8 Å²	57.8	54%	0.543	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-52.5	-28.5	-169.1	-173.8	176.1	179.5	-177.1	0	114	S29 H30 I35 D36	S29-K33 PolarHBondContact O-N 3.25Å; H30-K33 WeakPolarHBondContact O-CB 3.46Å; H30-K33 PolarHBondContact O-N 3.33Å; K33-I35 PolarHBondContact O-N 3.48Å; K33-D36 WeakPolarHBondContact O-CB 3.44Å; K33-D36 PolarHBondContact O-N 3.18Å; K33-D36 VanDerWaalsContact O-N 3.1Å
34	D	96.2	Very high	96.8	Very high	120 Å²	120	54.8 Å²	54.8	64%	0.642	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-69.5	-10.4	179.6	-72.9	-1.9	0	0	0	114.7	I32 K113	I32-D34 PolarHBondContact O-N 3.08Å; D34-K113 WeakPolarHBondContact O-CE 3.4Å; D34-K113 PolarHBondContact O-NZ 2.96Å
35	I	97.8	Very high	97.1	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-91.8	-8	172	-153.4	168.4	0	0	0	113.1	I32 K33 G37 Y38 W46 F73 I109 A112 K113	I32-I35 HydrophobicContact CB-CG2 4.3Å; I32-I35 HydrophobicContact CG1-CG2 4.45Å; I32-I35 WeakPolarHBondContact O-CG2 3.29Å; I32-I35 PolarHBondContact O-N 3.45Å; K33-I35 PolarHBondContact O-N 3.48Å; I35-G37 PolarHBondContact O-N 2.94Å; I35-Y38 VanDerWaalsContact O-CB 3.27Å; I35-Y38 WeakPolarHBondContact O-CB 3.28Å; I35-Y38 PolarHBondContact O-N 2.91Å; I35-Y38 VanDerWaalsContact O-N 3.08Å; I35-W46 HydrophobicContact CD1-CD2 4.43Å; I35-W46 HydrophobicContact CD1-CH2 4.08Å; I35-W46 HydrophobicContact CD1-CZ2 3.52Å; I35-W46 HydrophobicContact CG1-CZ2 4.18Å; I35-W46 HydrophobicContact CG2-CD2 4.18Å; I35-W46 HydrophobicContact CG2-CG 3.88Å; I35-F73 HydrophobicContact CD1-CE1 4.39Å; I35-I109 HydrophobicContact CB-CG2 4.07Å; I35-I109 HydrophobicContact CD1-CG2 4.37Å; I35-I109 HydrophobicContact CG1-CG2 4.43Å; I35-A112 HydrophobicContact CD1-CB 4.13Å; I35-K113 HydrophobicContact CD1-CG 4Å; I35-K113 HydrophobicContact CG1-CG 3.94Å
36	D	98.1	Very high	97.2	Very high	85 Å²	85	52.2 Å²	52.2	46%	0.455	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	126.4	-178	-173.3	22.6	0	0	0	111.9	K33 Y38 L43	K33-D36 WeakPolarHBondContact O-CB 3.44Å; K33-D36 PolarHBondContact O-N 3.18Å; K33-D36 VanDerWaalsContact O-N 3.1Å; D36-Y38 PolarHBondContact O-N 2.93Å; D36-L43 HydrophobicContact CB-CB 4.03Å; D36-L43 WeakPolarHBondContact OD1-CB 3.45Å; D36-L43 PolarHBondContact OD1-N 3.41Å
37	G	98	Very high	97.3	Very high	44 Å²	44	52.2 Å²	52.2	45%	0.454	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	-3.2	179.8	0	0	0	0	0	114.8	I35 Q39 G40 I41	I35-G37 PolarHBondContact O-N 2.94Å; G37-Q39 PolarHBondContact O-N 3.24Å; G37-G40 PolarHBondContact O-N 3.3Å; G37-I41 WeakPolarHBondContact CA-O 3.48Å; G37-I41 PolarHBondContact N-O 2.83Å
38	Y	98.4	Very high	97.5	Very high	76 Å²	76	45.3 Å²	45.3	30%	0.298	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-63.9	125.4	176.7	-177.3	-104.1	0	0	0	110.2	I35 D36 G40 I41 K113 L116	I35-Y38 VanDerWaalsContact O-CB 3.27Å; I35-Y38 WeakPolarHBondContact O-CB 3.28Å; I35-Y38 PolarHBondContact O-N 2.91Å; I35-Y38 VanDerWaalsContact O-N 3.08Å; D36-Y38 PolarHBondContact O-N 2.93Å; Y38-G40 PolarHBondContact O-N 2.89Å; Y38-G40 VanDerWaalsContact O-N 3.15Å; Y38-I41 PolarHBondContact O-N 3.29Å; Y38-K113 HydrophobicContact CD1-CB 4.1Å; Y38-K113 HydrophobicContact CD1-CD 4.39Å; Y38-K113 HydrophobicContact CD1-CG 3.63Å; Y38-K113 HydrophobicContact CD2-CD 4.48Å; Y38-K113 HydrophobicContact CE1-CB 3.61Å; Y38-K113 HydrophobicContact CE1-CG 3.69Å; Y38-K113 WeakPolarHBondContact CE1-O 3.04Å; Y38-K113 HydrophobicContact CG-CD 4.39Å; Y38-K113 HydrophobicContact CG-CG 4.09Å; Y38-K113 PolarHBondContact OH-O 2.99Å; Y38-L116 HydrophobicContact CD1-CD2 3.49Å; Y38-L116 VanDerWaalsContact CD1-CD2 3.49Å; Y38-L116 HydrophobicContact CE1-CB 4.33Å; Y38-L116 HydrophobicContact CE1-CD2 3.89Å; Y38-L116 HydrophobicContact CE1-CG 4.47Å
39	Q	97.6	Very high	97.6	Very high	129 Å²	129	44.9 Å²	44.9	60%	0.603	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	53.5	26.4	-170.9	-59.5	-77.4	-14.7	0	0	114	G37 I41 L116	G37-Q39 PolarHBondContact O-N 3.24Å; Q39-I41 VanDerWaalsContact C-N 3.32Å; Q39-I41 PolarHBondContact O-N 3.44Å; Q39-L116 HydrophobicContact CB-CD2 3.67Å; Q39-L116 HydrophobicContact CB-CG 4.07Å; Q39-L116 HydrophobicContact CG-CD2 3.9Å; Q39-L116 HydrophobicContact CG-CG 4.1Å
40	G	97.7	Very high	97.7	Very high	62 Å²	62	44.6 Å²	44.6	64%	0.639	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	80.4	5.9	178	0	0	0	0	0	115.3	G37 Y38	G37-G40 PolarHBondContact O-N 3.3Å; Y38-G40 PolarHBondContact O-N 2.89Å; Y38-G40 VanDerWaalsContact O-N 3.15Å
41	I	98.3	Very high	97.8	Very high	13 Å²	13	43.7 Å²	43.7	7%	0.067	25%	0.248	C	C	.	.			trans	-90.1	118.2	177.1	-50.4	-57	0	0	0	109.4	G37 Y38 Q39 E45 W46 L116 I121 Y127	G37-I41 WeakPolarHBondContact CA-O 3.48Å; G37-I41 PolarHBondContact N-O 2.83Å; Y38-I41 PolarHBondContact O-N 3.29Å; Q39-I41 VanDerWaalsContact C-N 3.32Å; Q39-I41 PolarHBondContact O-N 3.44Å; I41-E45 HydrophobicContact CG2-CB 3.71Å; I41-W46 HydrophobicContact CG2-CD2 4.32Å; I41-W46 HydrophobicContact CG2-CG 4.22Å; I41-W46 HydrophobicContact CG2-CZ2 4.47Å; I41-L116 HydrophobicContact CG1-CD1 4.25Å; I41-L116 HydrophobicContact CG1-CD2 4.2Å; I41-I121 HydrophobicContact CD1-CB 3.92Å; I41-I121 HydrophobicContact CD1-CD1 4.4Å; I41-I121 HydrophobicContact CD1-CG1 3.96Å; I41-I121 HydrophobicContact CD1-CG2 4.04Å; I41-I121 HydrophobicContact CG1-CB 4.26Å; I41-I121 HydrophobicContact CG1-CD1 4.11Å; I41-I121 HydrophobicContact CG1-CG1 4.21Å; I41-I121 HydrophobicContact CG2-CD1 3.98Å; I41-I121 HydrophobicContact CG2-CG1 4.46Å; I41-Y127 HydrophobicContact CD1-CE2 4.44Å
42	S	98	Very high	97.9	Very high	37 Å²	37	45 Å²	45	26%	0.259	25%	0.246	S	C	.	.			trans	-76.4	160.6	-178.3	66.8	0	0	0	0	113.1	L44 E45 W46	S42-L44 PolarHBondContact O-N 2.85Å; S42-E45 WeakPolarHBondContact CB-OE2 3.49Å; S42-E45 PolarHBondContact N-OE2 2.62Å; S42-E45 WeakPolarHBondContact O-CB 3.24Å; S42-E45 PolarHBondContact O-N 3.46Å; S42-E45 VanDerWaalsContact O-N 3.11Å; S42-E45 WeakPolarHBondContact OG-CG 2.99Å; S42-E45 PolarHBondContact OG-N 3.21Å; S42-E45 PolarHBondContact OG-OE2 2.71Å; S42-W46 PolarHBondContact O-N 3.37Å
43	L	97.8	Very high	97.9	Very high	35 Å²	35	46.8 Å²	46.8	18%	0.183	26%	0.256	C	S	.	.	H	α-helix	trans	-58.5	-32	174.8	-171.3	60.4	0	0	0	113.1	I32 D36 W46 A47	I32-L43 HydrophobicContact CD1-CD1 3.96Å; I32-L43 HydrophobicContact CG1-CD1 3.59Å; D36-L43 HydrophobicContact CB-CB 4.03Å; D36-L43 WeakPolarHBondContact OD1-CB 3.45Å; D36-L43 PolarHBondContact OD1-N 3.41Å; L43-W46 PolarHBondContact O-N 3.11Å; L43-A47 WeakPolarHBondContact O-CB 3.19Å; L43-A47 PolarHBondContact O-N 3.23Å
44	L	98	Very high	98	Very high	33 Å²	33	41.8 Å²	41.8	17%	0.173	24%	0.237	C	C	.	.	H	α-helix	trans	-70.2	-37.3	177.1	-60.4	-177.9	0	0	0	111.9	S42 C48 L135 W138 R139	S42-L44 PolarHBondContact O-N 2.85Å; L44-C48 PolarHBondContact O-N 2.79Å; L44-C48 VanDerWaalsContact O-N 3.11Å; L44-L135 HydrophobicContact CB-CB 4.01Å; L44-L135 HydrophobicContact CB-CD1 4.26Å; L44-L135 HydrophobicContact CD1-CB 4.38Å; L44-W138 HydrophobicContact CD2-CB 4.48Å; L44-R139 VanDerWaalsContact CD2-CA 3.45Å; L44-R139 HydrophobicContact CD2-CB 3.91Å; L44-R139 HydrophobicContact CD2-CG 4.43Å
45	E	98.4	Very high	98	Very high	23 Å²	23	38.2 Å²	38.2	11%	0.107	23%	0.229	C	C	.	.	H	α-helix	trans	-64.5	-45	172.5	-70.5	166.9	100.4	0	0	110.3	I41 S42 C48 V49 Y127 L135	I41-E45 HydrophobicContact CG2-CB 3.71Å; S42-E45 WeakPolarHBondContact CB-OE2 3.49Å; S42-E45 PolarHBondContact N-OE2 2.62Å; S42-E45 WeakPolarHBondContact O-CB 3.24Å; S42-E45 PolarHBondContact O-N 3.46Å; S42-E45 VanDerWaalsContact O-N 3.11Å; S42-E45 WeakPolarHBondContact OG-CG 2.99Å; S42-E45 PolarHBondContact OG-N 3.21Å; S42-E45 PolarHBondContact OG-OE2 2.71Å; E45-C48 WeakPolarHBondContact O-CB 3.46Å; E45-C48 PolarHBondContact O-N 2.88Å; E45-V49 WeakPolarHBondContact O-CB 3.17Å; E45-V49 WeakPolarHBondContact O-CG2 3.49Å; E45-V49 PolarHBondContact O-N 3.01Å; E45-Y127 HydrophobicContact CB-CE2 4.12Å; E45-Y127 HydrophobicContact CG-CE2 4.12Å; E45-Y127 VanDerWaalsContact OE1-CE2 3.25Å; E45-Y127 WeakPolarHBondContact OE1-CE2 3.04Å; E45-Y127 PolarHBondContact OE1-OH 3.43Å; E45-L135 HydrophobicContact CB-CD1 4.42Å; E45-L135 HydrophobicContact CG-CD1 3.38Å
46	W	98.5	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62	-45.3	176.4	-81.5	113.9	0	0	0	113.1	I32 I35 I41 S42 L43 C48 V49 L50 F73 L116 I121 W124	I32-W46 HydrophobicContact CD1-CB 3.89Å; I35-W46 HydrophobicContact CD1-CD2 4.43Å; I35-W46 HydrophobicContact CD1-CH2 4.08Å; I35-W46 HydrophobicContact CD1-CZ2 3.52Å; I35-W46 HydrophobicContact CG1-CZ2 4.18Å; I35-W46 HydrophobicContact CG2-CD2 4.18Å; I35-W46 HydrophobicContact CG2-CG 3.88Å; I41-W46 HydrophobicContact CG2-CD2 4.32Å; I41-W46 HydrophobicContact CG2-CG 4.22Å; I41-W46 HydrophobicContact CG2-CZ2 4.47Å; S42-W46 PolarHBondContact O-N 3.37Å; L43-W46 PolarHBondContact O-N 3.11Å; W46-C48 VanDerWaalsContact C-N 3.32Å; W46-C48 PolarHBondContact O-N 3.24Å; W46-V49 HydrophobicContact CE3-CG1 4.38Å; W46-V49 HydrophobicContact CZ3-CG1 4.35Å; W46-V49 PolarHBondContact O-N 2.88Å; W46-L50 HydrophobicContact CE3-CG 4.48Å; W46-L50 WeakPolarHBondContact O-CB 3.42Å; W46-L50 VanDerWaalsContact O-CG 3.23Å; W46-L50 WeakPolarHBondContact O-CG 3.4Å; W46-L50 PolarHBondContact O-N 2.89Å; W46-F73 HydrophobicContact CE3-CD1 4.46Å; W46-F73 AromaticContact CE3-CE1 3.91Å; W46-F73 HydrophobicContact CE3-CE1 3.91Å; W46-F73 HydrophobicContact CH2-CE1 4.26Å; W46-F73 AromaticContact CZ3-CD1 3.88Å; W46-F73 HydrophobicContact CZ3-CD1 3.88Å; W46-F73 AromaticContact CZ3-CE1 3.67Å; W46-F73 HydrophobicContact CZ3-CE1 3.67Å; W46-L116 HydrophobicContact CZ2-CD2 4.07Å; W46-I121 HydrophobicContact CH2-CD1 3.92Å; W46-I121 HydrophobicContact CZ2-CD1 4.04Å; W46-I121 HydrophobicContact CZ3-CD1 4.31Å; W46-W124 HydrophobicContact CH2-CD2 4.22Å; W46-W124 AromaticContact CH2-CE3 3.97Å; W46-W124 HydrophobicContact CH2-CE3 3.97Å; W46-W124 AromaticContact CH2-CH2 3.56Å; W46-W124 HydrophobicContact CH2-CH2 3.56Å; W46-W124 AromaticContact CH2-CZ2 3.83Å; W46-W124 HydrophobicContact CH2-CZ2 3.83Å; W46-W124 AromaticContact CH2-CZ3 3.64Å; W46-W124 HydrophobicContact CH2-CZ3 3.64Å; W46-W124 HydrophobicContact CZ3-CD2 4.09Å; W46-W124 AromaticContact CZ3-CE2 3.98Å; W46-W124 HydrophobicContact CZ3-CE3 4.27Å; W46-W124 HydrophobicContact CZ3-CH2 4.23Å; W46-W124 HydrophobicContact CZ3-CZ2 4.05Å; W46-W124 HydrophobicContact CZ3-CZ3 4.34Å
47	A	98.1	Very high	97.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-55.8	-48.7	174.8	0	0	0	0	0	110.9	L43 V49 L50 F51 Y56 W138	L43-A47 WeakPolarHBondContact O-CB 3.19Å; L43-A47 PolarHBondContact O-N 3.23Å; A47-V49 PolarHBondContact O-N 3.45Å; A47-L50 PolarHBondContact O-N 3.42Å; A47-F51 PolarHBondContact O-N 3.41Å; A47-Y56 VanDerWaalsContact C-OH 3.32Å; A47-Y56 VanDerWaalsContact O-CE1 3.27Å; A47-Y56 WeakPolarHBondContact O-CE1 3.42Å; A47-Y56 PolarHBondContact O-OH 3.11Å; A47-W138 HydrophobicContact CB-CB 4.12Å
48	C	98.4	Very high	97.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-57.3	-49.2	175.1	-179	0	0	0	0	113.2	L44 E45 W46 L50 F51 H52 M130 C131 L135 W138	L44-C48 PolarHBondContact O-N 2.79Å; L44-C48 VanDerWaalsContact O-N 3.11Å; E45-C48 WeakPolarHBondContact O-CB 3.46Å; E45-C48 PolarHBondContact O-N 2.88Å; W46-C48 VanDerWaalsContact C-N 3.32Å; W46-C48 PolarHBondContact O-N 3.24Å; C48-L50 PolarHBondContact O-N 3.14Å; C48-F51 PolarHBondContact O-N 2.92Å; C48-H52 PolarHBondContact O-CD2 2.87Å; C48-H52 PolarHBondContact O-N 3.12Å; C48-H52 VanDerWaalsContact O-N 3.14Å; C48-M130 PolarHBondContact SG-O 3.29Å; C48-C131 HydrophobicContact CB-CB 3.55Å; C48-C131 WeakPolarHBondContact CB-SG 3.48Å; C48-C131 WeakPolarHBondContact SG-CA 3.29Å; C48-C131 WeakPolarHBondContact SG-CB 3.32Å; C48-C131 CovalentContact SG-SG 2.03Å; C48-C131 PolarHBondContact SG-SG 3.28Å; C48-L135 HydrophobicContact CB-CD2 4.2Å; C48-W138 HydrophobicContact CB-CD2 3.68Å; C48-W138 VanDerWaalsContact CB-CE2 3.45Å; C48-W138 HydrophobicContact CB-CE3 4.4Å; C48-W138 HydrophobicContact CB-CG 3.78Å; C48-W138 HydrophobicContact CB-CZ2 4.02Å; C48-W138 PolarHBondContact SG-NE1 2.91Å
49	V	98.7	Very high	97.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.2	-50.9	-178.8	164.4	0	0	0	0	110.2	E45 W46 A47 F51 H52 T53 W124 Y127 C131	E45-V49 WeakPolarHBondContact O-CB 3.17Å; E45-V49 WeakPolarHBondContact O-CG2 3.49Å; E45-V49 PolarHBondContact O-N 3.01Å; W46-V49 HydrophobicContact CE3-CG1 4.38Å; W46-V49 HydrophobicContact CZ3-CG1 4.35Å; W46-V49 PolarHBondContact O-N 2.88Å; A47-V49 PolarHBondContact O-N 3.45Å; V49-F51 VanDerWaalsContact C-N 3.33Å; V49-F51 PolarHBondContact O-N 3.18Å; V49-H52 CarbonylContact O-C 3.43Å; V49-H52 PolarHBondContact O-N 2.74Å; V49-H52 VanDerWaalsContact O-N 3.14Å; V49-T53 WeakPolarHBondContact O-CB 3.02Å; V49-T53 PolarHBondContact O-N 2.95Å; V49-T53 PolarHBondContact O-OG1 2.98Å; V49-T53 VanDerWaalsContact O-OG1 3.1Å; V49-W124 HydrophobicContact CG1-CB 3.54Å; V49-W124 HydrophobicContact CG1-CD2 4.48Å; V49-W124 HydrophobicContact CG1-CG 3.68Å; V49-Y127 HydrophobicContact CG2-CD2 3.82Å; V49-Y127 HydrophobicContact CG2-CG 4.39Å; V49-C131 HydrophobicContact CG2-CB 4Å; V49-C131 PolarHBondContact N-SG 3.14Å; V49-C131 VanDerWaalsContact N-SG 3.39Å
50	L	98.5	Very high	97.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.3	-34.6	-175.9	-65.9	177.8	0	0	0	112.7	V28 I32 W46 A47 C48 T53 S54 G55 Y56 L72 F73	V28-L50 HydrophobicContact CG1-CD1 3.97Å; I32-L50 HydrophobicContact CD1-CD1 3.38Å; I32-L50 HydrophobicContact CG2-CD1 4.18Å; W46-L50 HydrophobicContact CE3-CG 4.48Å; W46-L50 WeakPolarHBondContact O-CB 3.42Å; W46-L50 VanDerWaalsContact O-CG 3.23Å; W46-L50 WeakPolarHBondContact O-CG 3.4Å; W46-L50 PolarHBondContact O-N 2.89Å; A47-L50 PolarHBondContact O-N 3.42Å; C48-L50 PolarHBondContact O-N 3.14Å; L50-T53 PolarHBondContact O-N 2.9Å; L50-S54 PolarHBondContact O-N 3.38Å; L50-S54 PolarHBondContact O-OG 3.34Å; L50-G55 PolarHBondContact O-N 3.19Å; L50-Y56 HydrophobicContact CB-CD1 3.9Å; L50-Y56 HydrophobicContact CB-CE1 3.87Å; L50-Y56 PolarHBondContact O-N 3.3Å; L50-L72 HydrophobicContact CB-CD1 4.09Å; L50-L72 HydrophobicContact CD1-CD1 4.16Å; L50-L72 HydrophobicContact CD1-CD2 4Å; L50-L72 HydrophobicContact CD1-CG 3.98Å; L50-L72 HydrophobicContact CD2-CD1 4.25Å; L50-L72 HydrophobicContact CD2-CG 3.92Å; L50-L72 WeakPolarHBondContact CD2-O 3.26Å; L50-L72 HydrophobicContact CG-CD1 4.4Å; L50-L72 HydrophobicContact CG-CG 4.38Å; L50-F73 HydrophobicContact CD1-CE1 4.36Å; L50-F73 HydrophobicContact CD1-CZ 4.35Å; L50-F73 HydrophobicContact CD2-CD1 3.65Å; L50-F73 HydrophobicContact CD2-CE1 3.84Å; L50-F73 HydrophobicContact CD2-CG 4.04Å; L50-F73 HydrophobicContact CD2-CZ 4.38Å
51	F	97.7	Very high	97.9	Very high	84 Å²	84	34.9 Å²	34.9	37%	0.368	20%	0.195	S	C	.	.	H	α-helix	trans	-60.9	-48.2	171.2	179.2	-98.1	0	0	0	111.9	A47 C48 V49 T53 G55 Y56 W138	A47-F51 PolarHBondContact O-N 3.41Å; C48-F51 PolarHBondContact O-N 2.92Å; V49-F51 VanDerWaalsContact C-N 3.33Å; V49-F51 PolarHBondContact O-N 3.18Å; F51-T53 VanDerWaalsContact C-N 3.31Å; F51-T53 PolarHBondContact O-N 3.49Å; F51-G55 WeakPolarHBondContact O-CA 3.47Å; F51-G55 PolarHBondContact O-N 2.98Å; F51-Y56 HydrophobicContact CB-CD2 4.37Å; F51-Y56 HydrophobicContact CB-CE1 4.07Å; F51-Y56 HydrophobicContact CB-CE2 3.75Å; F51-Y56 AromaticContact CD2-CD2 3.86Å; F51-Y56 HydrophobicContact CD2-CD2 3.86Å; F51-Y56 AromaticContact CD2-CE2 3.56Å; F51-Y56 HydrophobicContact CD2-CE2 3.56Å; F51-Y56 HydrophobicContact CG-CE2 4.11Å; F51-W138 HydrophobicContact CB-CE3 4.45Å; F51-W138 HydrophobicContact CB-CH2 3.75Å; F51-W138 HydrophobicContact CB-CZ3 3.46Å; F51-W138 VanDerWaalsContact CB-CZ3 3.46Å; F51-W138 AromaticContact CD1-CH2 3.36Å; F51-W138 HydrophobicContact CD1-CH2 3.36Å; F51-W138 HydrophobicContact CD1-CZ2 4.49Å; F51-W138 AromaticContact CD1-CZ3 3.83Å; F51-W138 HydrophobicContact CD1-CZ3 3.83Å; F51-W138 HydrophobicContact CD2-CZ3 4.22Å; F51-W138 HydrophobicContact CE1-CH2 4.05Å; F51-W138 AromaticContact CG-CH2 3.64Å; F51-W138 HydrophobicContact CG-CH2 3.64Å; F51-W138 AromaticContact CG-CZ3 3.56Å; F51-W138 HydrophobicContact CG-CZ3 3.56Å
52	H	97.9	Very high	97.9	Very high	80 Å²	80	37.5 Å²	37.5	37%	0.37	21%	0.212	S	C	.	.	H	α-helix	trans	-77.3	-18.8	-177.6	-76	-62.5	0	0	0	113.7	C48 V49 A126 M130 W138	C48-H52 PolarHBondContact O-CD2 2.87Å; C48-H52 PolarHBondContact O-N 3.12Å; C48-H52 VanDerWaalsContact O-N 3.14Å; V49-H52 CarbonylContact O-C 3.43Å; V49-H52 PolarHBondContact O-N 2.74Å; V49-H52 VanDerWaalsContact O-N 3.14Å; H52-A126 HydrophobicContact CB-CB 3.53Å; H52-M130 HydrophobicContact CB-SD 4.04Å; H52-M130 VanDerWaalsContact CE1-SD 3.56Å; H52-M130 PolarHBondContact ND1-SD 2.89Å; H52-M130 VanDerWaalsContact ND1-SD 3.37Å; H52-W138 AromaticContact NE2-CH2 3.9Å; H52-W138 AromaticContact NE2-CZ2 3.67Å
53	T	98.1	Very high	97.9	Very high	36 Å²	36	41.9 Å²	41.9	22%	0.221	23%	0.233	C	C	.	.	H	α-helix	trans	-86.7	-48.1	179	-74.7	0	0	0	0	112.3	V49 L50 F51 Q74	V49-T53 WeakPolarHBondContact O-CB 3.02Å; V49-T53 PolarHBondContact O-N 2.95Å; V49-T53 PolarHBondContact O-OG1 2.98Å; V49-T53 VanDerWaalsContact O-OG1 3.1Å; L50-T53 PolarHBondContact O-N 2.9Å; F51-T53 VanDerWaalsContact C-N 3.31Å; F51-T53 PolarHBondContact O-N 3.49Å; T53-Q74 HydrophobicContact CG2-CB 3.53Å; T53-Q74 HydrophobicContact CG2-CG 3.37Å
54	S	97.7	Very high	97.7	Very high	20 Å²	20	42.4 Å²	42.4	14%	0.14	24%	0.236	C	C	.	.	H	α-helix	trans	-130.8	-1.3	-175.6	69.5	0	0	0	0	114.3	L50 Y56 D57 L72	L50-S54 PolarHBondContact O-N 3.38Å; L50-S54 PolarHBondContact O-OG 3.34Å; S54-Y56 PolarHBondContact O-N 3.03Å; S54-Y56 PolarHBondContact OG-N 2.96Å; S54-D57 WeakPolarHBondContact O-CB 3.36Å; S54-D57 PolarHBondContact O-N 3.47Å; S54-D57 PolarHBondContact OG-N 3.45Å; S54-L72 WeakPolarHBondContact CB-O 3.34Å; S54-L72 PolarHBondContact OG-O 3.43Å; S54-L72 VanDerWaalsContact OG-O 3.06Å
55	G	96.9	Very high	97.4	Very high	46 Å²	46	48 Å²	48	47%	0.474	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	22.9	-170.5	0	0	0	0	0	113.2	L50 F51 D57	L50-G55 PolarHBondContact O-N 3.19Å; F51-G55 WeakPolarHBondContact O-CA 3.47Å; F51-G55 PolarHBondContact O-N 2.98Å; G55-D57 PolarHBondContact O-N 2.66Å
56	Y	96.7	Very high	97.1	Very high	15 Å²	15	50.2 Å²	50.2	6%	0.059	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	15.7	-170.8	-57.2	-55.1	0	0	0	115.5	T24 K25 V28 A47 L50 F51 S54 T58 L72	T24-Y56 HydrophobicContact CG2-CD2 4.33Å; T24-Y56 HydrophobicContact CG2-CG 4.37Å; K25-Y56 HydrophobicContact CB-CD2 4.45Å; K25-Y56 HydrophobicContact CB-CE2 3.71Å; K25-Y56 HydrophobicContact CG-CE2 4.04Å; K25-Y56 WeakPolarHBondContact CG-OH 3.32Å; V28-Y56 HydrophobicContact CB-CD1 3.99Å; V28-Y56 HydrophobicContact CB-CE1 4.46Å; V28-Y56 HydrophobicContact CB-CG 4.48Å; V28-Y56 HydrophobicContact CG1-CD1 3.78Å; V28-Y56 HydrophobicContact CG1-CE1 4.16Å; V28-Y56 HydrophobicContact CG2-CD1 4.13Å; V28-Y56 HydrophobicContact CG2-CG 4.26Å; A47-Y56 VanDerWaalsContact C-OH 3.32Å; A47-Y56 VanDerWaalsContact O-CE1 3.27Å; A47-Y56 WeakPolarHBondContact O-CE1 3.42Å; A47-Y56 PolarHBondContact O-OH 3.11Å; L50-Y56 HydrophobicContact CB-CD1 3.9Å; L50-Y56 HydrophobicContact CB-CE1 3.87Å; L50-Y56 PolarHBondContact O-N 3.3Å; F51-Y56 HydrophobicContact CB-CD2 4.37Å; F51-Y56 HydrophobicContact CB-CE1 4.07Å; F51-Y56 HydrophobicContact CB-CE2 3.75Å; F51-Y56 AromaticContact CD2-CD2 3.86Å; F51-Y56 HydrophobicContact CD2-CD2 3.86Å; F51-Y56 AromaticContact CD2-CE2 3.56Å; F51-Y56 HydrophobicContact CD2-CE2 3.56Å; F51-Y56 HydrophobicContact CG-CE2 4.11Å; S54-Y56 PolarHBondContact O-N 3.03Å; S54-Y56 PolarHBondContact OG-N 2.96Å; Y56-T58 PolarHBondContact O-N 3.46Å; Y56-L72 HydrophobicContact CD1-CD1 4.49Å
57	D	96.9	Very high	97	Very high	79 Å²	79	50.6 Å²	50.6	42%	0.422	30%	0.297	S	S	.	.			trans	-79.8	113.4	175.9	-176.3	4.8	0	0	0	110.3	S54 G55 Q59 A60	S54-D57 WeakPolarHBondContact O-CB 3.36Å; S54-D57 PolarHBondContact O-N 3.47Å; S54-D57 PolarHBondContact OG-N 3.45Å; G55-D57 PolarHBondContact O-N 2.66Å; D57-Q59 PolarHBondContact O-N 3.49Å; D57-Q59 WeakPolarHBondContact OD1-CA 3.35Å; D57-Q59 PolarHBondContact OD1-N 2.91Å; D57-A60 HydrophobicContact CB-CB 4.02Å; D57-A60 WeakPolarHBondContact O-CB 3.39Å; D57-A60 PolarHBondContact O-N 3.16Å
58	T	97.5	Very high	97	Very high	23 Å²	23	51.2 Å²	51.2	14%	0.141	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-14.6	177	54.6	0	0	0	0	112.4	Y56 G71 L72 D103 L105	Y56-T58 PolarHBondContact O-N 3.46Å; T58-G71 WeakPolarHBondContact O-CA 3.43Å; T58-L72 HydrophobicContact CG2-CB 4.37Å; T58-D103 PolarHBondContact OG1-OD1 3.36Å; T58-L105 HydrophobicContact CG2-CD2 4.03Å
59	Q	97.9	Very high	97	Very high	121 Å²	121	53 Å²	53	57%	0.565	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	12.9	178.7	-77.9	167.9	75.1	0	0	112.7	D57 V61 L101	D57-Q59 PolarHBondContact O-N 3.49Å; D57-Q59 WeakPolarHBondContact OD1-CA 3.35Å; D57-Q59 PolarHBondContact OD1-N 2.91Å; Q59-V61 PolarHBondContact O-N 3.09Å; Q59-L101 WeakPolarHBondContact CG-O 3.07Å
60	A	98.2	Very high	97	Very high	11 Å²	11	53.6 Å²	53.6	9%	0.091	31%	0.312	C	S	.	.			trans	-61.9	125.9	-179.4	0	0	0	0	0	111.6	D57 Y70 G71 Q74	D57-A60 HydrophobicContact CB-CB 4.02Å; D57-A60 WeakPolarHBondContact O-CB 3.39Å; D57-A60 PolarHBondContact O-N 3.16Å; A60-Y70 CarbonylContact O-C 3.52Å; A60-G71 PolarHBondContact O-N 2.96Å; A60-Q74 PolarHBondContact O-NE2 3.31Å; A60-Q74 VanDerWaalsContact O-NE2 3.07Å
61	V	98.3	Very high	97	Very high	76 Å²	76	53.6 Å²	53.6	46%	0.461	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	118.5	174.4	-178.2	0	0	0	0	108.7	Q59 T68 E69 Y70 L101	Q59-V61 PolarHBondContact O-N 3.09Å; V61-T68 HydrophobicContact CG1-CG2 3.46Å; V61-T68 VanDerWaalsContact CG1-CG2 3.46Å; V61-E69 WeakPolarHBondContact CA-O 3.36Å; V61-Y70 HydrophobicContact CG2-CD1 4.43Å; V61-L101 HydrophobicContact CG2-CD1 3.87Å; V61-L101 HydrophobicContact CG2-CD2 3.64Å; V61-L101 HydrophobicContact CG2-CG 4.43Å
62	V	98	Very high	97	Very high	69 Å²	69	49.6 Å²	49.6	42%	0.418	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.1	-178.2	179.5	0	0	0	0	109.9	T68 E69 Q74	V62-T68 CarbonylContact O-C 3.58Å; V62-T68 WeakPolarHBondContact O-CA 3.25Å; V62-E69 PolarHBondContact N-O 3.33Å; V62-E69 PolarHBondContact O-N 2.97Å; V62-Q74 VanDerWaalsContact CB-OE1 3.3Å
63	N	97.2	Very high	97.1	Very high	129 Å²	129	45.8 Å²	45.8	69%	0.69	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	120.3	171.5	-66.6	-61.6	0	0	0	109.7	T68	N63-T68 PolarHBondContact OD1-OG1 2.77Å
64	D	93.2	Very high	97.1	Very high	46 Å²	46	44.5 Å²	44.5	25%	0.246	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	105.6	174.3	-174.3	14.4	0	0	0	110.4	G66 S67 K125	D64-G66 VanDerWaalsContact C-N 3.27Å; D64-G66 PolarHBondContact O-N 3.42Å; D64-G66 VanDerWaalsContact O-N 3.08Å; D64-S67 CarbonylContact C-O 3.58Å; D64-S67 PolarHBondContact N-O 3.3Å; D64-S67 PolarHBondContact O-N 3.04Å; D64-S67 VanDerWaalsContact O-O 3.11Å; D64-S67 PolarHBondContact O-OG 3.09Å; D64-K125 IonicContact OD2-NZ 3.87Å
65	N	91.8	Very high	97.2	Very high	151 Å²	151	43.6 Å²	43.6	81%	0.807	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	41.8	169.2	-68.1	-54.2	0	0	0	115.4
66	G	92.3	Very high	97.2	Very high	69 Å²	69	41.7 Å²	41.7	71%	0.711	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	91	0.9	177	0	0	0	0	0	115	D64	D64-G66 VanDerWaalsContact C-N 3.27Å; D64-G66 PolarHBondContact O-N 3.42Å; D64-G66 VanDerWaalsContact O-N 3.08Å
67	S	96.6	Very high	97.3	Very high	8 Å²	8	41 Å²	41	6%	0.056	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	169.3	162	44.1	0	0	0	0	110.2	D64 D77	D64-S67 CarbonylContact C-O 3.58Å; D64-S67 PolarHBondContact N-O 3.3Å; D64-S67 PolarHBondContact O-N 3.04Å; D64-S67 VanDerWaalsContact O-O 3.11Å; D64-S67 PolarHBondContact O-OG 3.09Å; S67-D77 VanDerWaalsContact CB-OD1 3.28Å; S67-D77 WeakPolarHBondContact CB-OD1 3.38Å
68	T	98.4	Very high	97.3	Very high	12 Å²	12	42.4 Å²	42.4	7%	0.074	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	137	178.4	-57	0	0	0	0	109.9	V61 V62 N63 Y70 S76 D77	V61-T68 HydrophobicContact CG1-CG2 3.46Å; V61-T68 VanDerWaalsContact CG1-CG2 3.46Å; V62-T68 CarbonylContact O-C 3.58Å; V62-T68 WeakPolarHBondContact O-CA 3.25Å; N63-T68 PolarHBondContact OD1-OG1 2.77Å; T68-Y70 VanDerWaalsContact CB-CE2 3.46Å; T68-Y70 HydrophobicContact CG2-CD2 4.1Å; T68-Y70 HydrophobicContact CG2-CE1 4.08Å; T68-Y70 HydrophobicContact CG2-CE2 3.45Å; T68-Y70 VanDerWaalsContact CG2-CE2 3.45Å; T68-Y70 VanDerWaalsContact CG2-CZ 3.44Å; T68-Y70 WeakPolarHBondContact O-CD2 3.39Å; T68-Y70 VanDerWaalsContact O-CE2 3.23Å; T68-Y70 WeakPolarHBondContact O-CE2 3.36Å; T68-S76 WeakPolarHBondContact O-CA 3.23Å; T68-D77 PolarHBondContact N-OD1 2.87Å; T68-D77 PolarHBondContact O-N 3.47Å
69	E	98.4	Very high	97.4	Very high	39 Å²	39	45.2 Å²	45.2	18%	0.182	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.9	175.8	-66	-173.9	158.2	0	0	109.7	V61 V62 Q74	V61-E69 WeakPolarHBondContact CA-O 3.36Å; V62-E69 PolarHBondContact N-O 3.33Å; V62-E69 PolarHBondContact O-N 2.97Å; E69-Q74 HydrophobicContact CB-CB 4.02Å
70	Y	98.7	Very high	97.4	Very high	12 Å²	12	39.6 Å²	39.6	5%	0.047	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	141.1	-167.5	-63.7	-103.3	0	0	0	112	A60 V61 T68 Q74 I75 D77 S83 C97 L101	A60-Y70 CarbonylContact O-C 3.52Å; V61-Y70 HydrophobicContact CG2-CD1 4.43Å; T68-Y70 VanDerWaalsContact CB-CE2 3.46Å; T68-Y70 HydrophobicContact CG2-CD2 4.1Å; T68-Y70 HydrophobicContact CG2-CE1 4.08Å; T68-Y70 HydrophobicContact CG2-CE2 3.45Å; T68-Y70 VanDerWaalsContact CG2-CE2 3.45Å; T68-Y70 VanDerWaalsContact CG2-CZ 3.44Å; T68-Y70 WeakPolarHBondContact O-CD2 3.39Å; T68-Y70 VanDerWaalsContact O-CE2 3.23Å; T68-Y70 WeakPolarHBondContact O-CE2 3.36Å; Y70-Q74 CarbonylContact O-C 3.53Å; Y70-Q74 VanDerWaalsContact O-CA 3.28Å; Y70-Q74 WeakPolarHBondContact O-CA 3.45Å; Y70-Q74 PolarHBondContact O-N 2.84Å; Y70-I75 PolarHBondContact N-O 3.07Å; Y70-I75 PolarHBondContact O-N 3.25Å; Y70-D77 HydrophobicContact CD2-CB 4.43Å; Y70-D77 HydrophobicContact CE2-CB 3.73Å; Y70-S83 WeakPolarHBondContact OH-CB 3.44Å; Y70-C97 HydrophobicContact CD1-CB 3.78Å; Y70-C97 HydrophobicContact CD2-CB 3.75Å; Y70-C97 HydrophobicContact CE1-CB 3.82Å; Y70-C97 HydrophobicContact CE2-CB 3.8Å; Y70-C97 HydrophobicContact CG-CB 3.76Å; Y70-L101 HydrophobicContact CD1-CD1 3.96Å; Y70-L101 HydrophobicContact CD1-CD2 4.17Å; Y70-L101 HydrophobicContact CD1-CG 4.12Å; Y70-L101 HydrophobicContact CE1-CD1 4.46Å
71	G	98.5	Very high	97.4	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	-168.4	163.6	0	0	0	0	0	115.4	T58 A60 F73 Q74 L100	T58-G71 WeakPolarHBondContact O-CA 3.43Å; A60-G71 PolarHBondContact O-N 2.96Å; G71-F73 PolarHBondContact O-N 3.19Å; G71-Q74 PolarHBondContact O-N 3.47Å; G71-Q74 VanDerWaalsContact O-N 3.08Å; G71-Q74 PolarHBondContact O-NE2 3.01Å; G71-L100 WeakPolarHBondContact CA-O 3.35Å
72	L	98.5	Very high	97.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-40.7	-177.6	179.3	58.5	0	0	0	112.4	V28 I32 L50 S54 Y56 T58 L105	V28-L72 HydrophobicContact CG1-CD1 4.16Å; V28-L72 HydrophobicContact CG1-CD2 3.91Å; I32-L72 HydrophobicContact CG2-CD2 3.95Å; L50-L72 HydrophobicContact CB-CD1 4.09Å; L50-L72 HydrophobicContact CD1-CD1 4.16Å; L50-L72 HydrophobicContact CD1-CD2 4Å; L50-L72 HydrophobicContact CD1-CG 3.98Å; L50-L72 HydrophobicContact CD2-CD1 4.25Å; L50-L72 HydrophobicContact CD2-CG 3.92Å; L50-L72 WeakPolarHBondContact CD2-O 3.26Å; L50-L72 HydrophobicContact CG-CD1 4.4Å; L50-L72 HydrophobicContact CG-CG 4.38Å; S54-L72 WeakPolarHBondContact CB-O 3.34Å; S54-L72 PolarHBondContact OG-O 3.43Å; S54-L72 VanDerWaalsContact OG-O 3.06Å; Y56-L72 HydrophobicContact CD1-CD1 4.49Å; T58-L72 HydrophobicContact CG2-CB 4.37Å; L72-L105 HydrophobicContact CB-CD2 4.38Å; L72-L105 HydrophobicContact CD2-CD1 3.6Å; L72-L105 HydrophobicContact CD2-CD2 3.99Å; L72-L105 HydrophobicContact CD2-CG 4.45Å
73	F	98.7	Very high	97.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-1.7	-177	-68.6	-90.8	0	0	0	114.2	I32 I35 W46 L50 G71 I75 D108 I109 A112 W124	I32-F73 HydrophobicContact CG2-CZ 4.23Å; I35-F73 HydrophobicContact CD1-CE1 4.39Å; W46-F73 HydrophobicContact CE3-CD1 4.46Å; W46-F73 AromaticContact CE3-CE1 3.91Å; W46-F73 HydrophobicContact CE3-CE1 3.91Å; W46-F73 HydrophobicContact CH2-CE1 4.26Å; W46-F73 AromaticContact CZ3-CD1 3.88Å; W46-F73 HydrophobicContact CZ3-CD1 3.88Å; W46-F73 AromaticContact CZ3-CE1 3.67Å; W46-F73 HydrophobicContact CZ3-CE1 3.67Å; L50-F73 HydrophobicContact CD1-CE1 4.36Å; L50-F73 HydrophobicContact CD1-CZ 4.35Å; L50-F73 HydrophobicContact CD2-CD1 3.65Å; L50-F73 HydrophobicContact CD2-CE1 3.84Å; L50-F73 HydrophobicContact CD2-CG 4.04Å; L50-F73 HydrophobicContact CD2-CZ 4.38Å; G71-F73 PolarHBondContact O-N 3.19Å; F73-I75 HydrophobicContact CB-CD1 3.77Å; F73-I75 HydrophobicContact CB-CG1 3.72Å; F73-I75 PolarHBondContact O-N 2.03Å; F73-D108 HydrophobicContact CD2-CB 3.9Å; F73-D108 HydrophobicContact CE2-CB 3.97Å; F73-I109 HydrophobicContact CE2-CG1 4.21Å; F73-I109 HydrophobicContact CZ-CG1 4.13Å; F73-A112 HydrophobicContact CD1-CB 3.55Å; F73-A112 HydrophobicContact CD2-CB 4.43Å; F73-A112 HydrophobicContact CE1-CB 3.65Å; F73-A112 HydrophobicContact CG-CB 3.97Å; F73-A112 HydrophobicContact CZ-CB 4.15Å; F73-W124 HydrophobicContact CD1-CZ2 4.14Å; F73-W124 PolarHBondContact O-NE1 2.99Å
74	Q	98.7	Very high	97.3	Very high	9 Å²	9	36.9 Å²	36.9	4%	0.042	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	58.4	-174.6	-66.7	-68.5	-83.8	0	0	111.8	T53 A60 V62 E69 Y70 G71 Y123	T53-Q74 HydrophobicContact CG2-CB 3.53Å; T53-Q74 HydrophobicContact CG2-CG 3.37Å; A60-Q74 PolarHBondContact O-NE2 3.31Å; A60-Q74 VanDerWaalsContact O-NE2 3.07Å; V62-Q74 VanDerWaalsContact CB-OE1 3.3Å; E69-Q74 HydrophobicContact CB-CB 4.02Å; Y70-Q74 CarbonylContact O-C 3.53Å; Y70-Q74 VanDerWaalsContact O-CA 3.28Å; Y70-Q74 WeakPolarHBondContact O-CA 3.45Å; Y70-Q74 PolarHBondContact O-N 2.84Å; G71-Q74 PolarHBondContact O-N 3.47Å; G71-Q74 VanDerWaalsContact O-N 3.08Å; G71-Q74 PolarHBondContact O-NE2 3.01Å; Q74-Y123 PolarHBondContact O-OH 3.47Å
75	I	98.7	Very high	97.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	124.4	-177.2	-67.6	166.7	0	0	0	108.8	Y70 F73 W80 L100 C111 I115	Y70-I75 PolarHBondContact N-O 3.07Å; Y70-I75 PolarHBondContact O-N 3.25Å; F73-I75 HydrophobicContact CB-CD1 3.77Å; F73-I75 HydrophobicContact CB-CG1 3.72Å; F73-I75 PolarHBondContact O-N 2.03Å; I75-W80 HydrophobicContact CG2-CB 3.35Å; I75-W80 HydrophobicContact CG2-CG 4.06Å; I75-L100 HydrophobicContact CB-CD1 3.75Å; I75-L100 HydrophobicContact CD1-CD1 4.28Å; I75-L100 HydrophobicContact CD1-CD2 3.91Å; I75-L100 HydrophobicContact CG2-CD1 3.83Å; I75-C111 HydrophobicContact CD1-CB 4.02Å; I75-I115 HydrophobicContact CB-CD1 4.46Å; I75-I115 HydrophobicContact CD1-CD1 4.27Å; I75-I115 HydrophobicContact CG1-CD1 3.78Å; I75-I115 HydrophobicContact CG2-CD1 4.1Å
76	S	98.3	Very high	97.5	Very high	6 Å²	6	34.3 Å²	34.3	4%	0.042	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	133.1	-174.8	-179.7	0	0	0	0	113	T68 R78 F79 W80 Y123	T68-S76 WeakPolarHBondContact O-CA 3.23Å; S76-R78 PolarHBondContact O-N 3.14Å; S76-R78 VanDerWaalsContact OG-CB 3.27Å; S76-R78 WeakPolarHBondContact OG-CB 3.41Å; S76-R78 PolarHBondContact OG-N 2.96Å; S76-F79 PolarHBondContact O-N 3.49Å; S76-W80 WeakPolarHBondContact O-CB 3.24Å; S76-W80 PolarHBondContact O-N 3.39Å; S76-Y123 PolarHBondContact N-OH 3.07Å
77	D	98.5	Very high	97.6	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-17.8	170.1	64.7	-3.2	0	0	0	113.8	S67 T68 Y70 F79 C81 S83 F86 S89 C97	S67-D77 VanDerWaalsContact CB-OD1 3.28Å; S67-D77 WeakPolarHBondContact CB-OD1 3.38Å; T68-D77 PolarHBondContact N-OD1 2.87Å; T68-D77 PolarHBondContact O-N 3.47Å; Y70-D77 HydrophobicContact CD2-CB 4.43Å; Y70-D77 HydrophobicContact CE2-CB 3.73Å; D77-F79 PolarHBondContact O-N 2.03Å; D77-C81 CarbonylContact C-O 3.59Å; D77-C81 WeakPolarHBondContact CA-O 3.32Å; D77-C81 VanDerWaalsContact O-O 3.07Å; D77-S83 WeakPolarHBondContact CB-OG 3.41Å; D77-S83 PolarHBondContact OD2-OG 2.88Å; D77-F86 HydrophobicContact CB-CB 4.28Å; D77-F86 VanDerWaalsContact OD2-CB 3.23Å; D77-F86 WeakPolarHBondContact OD2-CB 3.43Å; D77-S89 WeakPolarHBondContact O-CB 3.47Å; D77-S89 PolarHBondContact O-OG 3.21Å; D77-C97 WeakPolarHBondContact CB-SG 3.34Å
78	R	97.6	Very high	97.6	Very high	109 Å²	109	41.5 Å²	41.5	41%	0.411	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-34.2	178	-170.5	169.5	-175.1	122.1	7.4	113	S76 F86	S76-R78 PolarHBondContact O-N 3.14Å; S76-R78 VanDerWaalsContact OG-CB 3.27Å; S76-R78 WeakPolarHBondContact OG-CB 3.41Å; S76-R78 PolarHBondContact OG-N 2.96Å; R78-F86 HydrophobicContact CB-CE1 4.21Å; R78-F86 HydrophobicContact CB-CZ 4.29Å; R78-F86 HydrophobicContact CG-CE1 3.9Å; R78-F86 HydrophobicContact CG-CE2 4.49Å; R78-F86 HydrophobicContact CG-CZ 3.75Å
79	F	98.2	Very high	97.5	Very high	82 Å²	82	41.9 Å²	41.9	36%	0.36	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.6	-35	-171.3	-58.1	-68.3	0	0	0	113.9	S76 D77 E90 N91 I92	S76-F79 PolarHBondContact O-N 3.49Å; D77-F79 PolarHBondContact O-N 2.03Å; F79-E90 WeakPolarHBondContact CD1-OE1 3.35Å; F79-N91 PolarHBondContact O-N 3.22Å; F79-I92 HydrophobicContact CB-CD1 4.45Å; F79-I92 WeakPolarHBondContact O-CG1 3.04Å; F79-I92 PolarHBondContact O-N 3.14Å
80	W	98.8	Very high	97.5	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.008	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-43.8	-158.3	-60.9	112.4	0	0	0	113.7	I75 S76 N91 I92 C93 I115 I118 K119 Y123	I75-W80 HydrophobicContact CG2-CB 3.35Å; I75-W80 HydrophobicContact CG2-CG 4.06Å; S76-W80 WeakPolarHBondContact O-CB 3.24Å; S76-W80 PolarHBondContact O-N 3.39Å; W80-N91 CarbonylContact O-C 3.6Å; W80-N91 PolarHBondContact O-OD1 3.45Å; W80-I92 HydrophobicContact CE3-CB 3.79Å; W80-I92 HydrophobicContact CE3-CD1 4.08Å; W80-I92 HydrophobicContact CE3-CG2 3.92Å; W80-I92 HydrophobicContact CH2-CD1 4.37Å; W80-I92 HydrophobicContact CZ3-CB 4.04Å; W80-I92 HydrophobicContact CZ3-CD1 3.94Å; W80-I92 HydrophobicContact CZ3-CG2 3.71Å; W80-I92 PolarHBondContact O-N 3.39Å; W80-C93 WeakPolarHBondContact O-CA 3.33Å; W80-C93 WeakPolarHBondContact O-CB 3.49Å; W80-C93 PolarHBondContact O-N 3.45Å; W80-I115 HydrophobicContact CB-CD1 4.41Å; W80-I115 HydrophobicContact CD2-CD1 3.84Å; W80-I115 HydrophobicContact CD2-CG1 3.47Å; W80-I115 VanDerWaalsContact CD2-CG1 3.47Å; W80-I115 HydrophobicContact CE3-CD1 4.29Å; W80-I115 HydrophobicContact CE3-CG1 3.51Å; W80-I115 HydrophobicContact CG-CD1 3.85Å; W80-I115 HydrophobicContact CG-CG1 4.05Å; W80-I115 HydrophobicContact CH2-CB 4.25Å; W80-I115 HydrophobicContact CH2-CG1 3.89Å; W80-I115 HydrophobicContact CH2-CG2 4.42Å; W80-I115 HydrophobicContact CZ2-CB 4.27Å; W80-I115 HydrophobicContact CZ2-CG1 3.84Å; W80-I115 HydrophobicContact CZ2-CG2 4.04Å; W80-I115 HydrophobicContact CZ3-CB 4.43Å; W80-I115 HydrophobicContact CZ3-CG1 3.72Å; W80-I118 HydrophobicContact CH2-CB 4.13Å; W80-I118 HydrophobicContact CH2-CD1 4.17Å; W80-I118 HydrophobicContact CH2-CG2 4.11Å; W80-I118 HydrophobicContact CZ3-CD1 3.97Å; W80-K119 HydrophobicContact CH2-CG 4.03Å; W80-K119 HydrophobicContact CZ2-CG 3.69Å; W80-Y123 AromaticContact NE1-CE2 3.28Å; W80-Y123 VanDerWaalsContact NE1-CE2 3.28Å; W80-Y123 AromaticContact NE1-CZ 3.65Å
81	C	98.7	Very high	97.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-123.3	160.6	178.5	63.6	0	0	0	0	110.3	D77 S89 I95 C97 L100	D77-C81 CarbonylContact C-O 3.59Å; D77-C81 WeakPolarHBondContact CA-O 3.32Å; D77-C81 VanDerWaalsContact O-O 3.07Å; C81-S89 PolarHBondContact O-OG 3.29Å; C81-I95 HydrophobicContact CB-CG1 4.04Å; C81-C97 HydrophobicContact CB-CB 3.96Å; C81-C97 WeakPolarHBondContact CB-SG 3.21Å; C81-C97 PolarHBondContact O-SG 3.42Å; C81-C97 VanDerWaalsContact O-SG 3.39Å; C81-C97 VanDerWaalsContact SG-CA 3.51Å; C81-C97 WeakPolarHBondContact SG-CB 3.44Å; C81-C97 CovalentContact SG-SG 2.04Å; C81-C97 PolarHBondContact SG-SG 3.3Å; C81-L100 HydrophobicContact CB-CD1 3.9Å; C81-L100 VanDerWaalsContact SG-CD1 3.59Å
82	K	98.4	Very high	97.5	Very high	122 Å²	122	50.8 Å²	50.8	53%	0.53	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-95.1	125.4	178.7	-174.8	175.2	-178.4	177.5	0	111.7	N91 I95 S96 C97	K82-N91 HydrophobicContact CB-CB 4.13Å; K82-N91 PolarHBondContact N-OD1 3.5Å; K82-I95 PolarHBondContact N-O 3.14Å; K82-S96 CarbonylContact O-C 3.43Å; K82-S96 WeakPolarHBondContact O-CA 3.48Å; K82-C97 PolarHBondContact O-N 3.3Å
83	S	97.4	Very high	97.5	Very high	8 Å²	8	51.2 Å²	51.2	6%	0.056	26%	0.258	C	S	.	.			trans	-116.8	166.9	170.4	71.4	0	0	0	0	110.7	Y70 D77 E85 F86	Y70-S83 WeakPolarHBondContact OH-CB 3.44Å; D77-S83 WeakPolarHBondContact CB-OG 3.41Å; D77-S83 PolarHBondContact OD2-OG 2.88Å; S83-E85 WeakPolarHBondContact CB-OE2 3.42Å; S83-F86 WeakPolarHBondContact OG-CB 3.33Å; S83-F86 PolarHBondContact OG-N 3.44Å
84	S	94.9	Very high	97.5	Very high	99 Å²	99	53.9 Å²	53.9	69%	0.692	29%	0.286	S	S	*	.	S	Bend	trans	-83.5	-23.6	171.9	72.3	0	0	0	0	112
85	E	93	Very high	97.5	Very high	124 Å²	124	55.1 Å²	55.1	58%	0.579	29%	0.292	S	S	*	.	S	Bend	trans	-72.2	-29.8	180	-65.7	74.4	-169.4	0	0	111.8	S83	S83-E85 WeakPolarHBondContact CB-OE2 3.42Å
86	F	96.6	Very high	97.4	Very high	19 Å²	19	57.4 Å²	57.4	8%	0.083	31%	0.308	C	S	.	.			trans	-128.2	76	177.3	-157.6	-86.3	0	0	0	111.5	D77 R78 S83 E88 S89	D77-F86 HydrophobicContact CB-CB 4.28Å; D77-F86 VanDerWaalsContact OD2-CB 3.23Å; D77-F86 WeakPolarHBondContact OD2-CB 3.43Å; R78-F86 HydrophobicContact CB-CE1 4.21Å; R78-F86 HydrophobicContact CB-CZ 4.29Å; R78-F86 HydrophobicContact CG-CE1 3.9Å; R78-F86 HydrophobicContact CG-CE2 4.49Å; R78-F86 HydrophobicContact CG-CZ 3.75Å; S83-F86 WeakPolarHBondContact OG-CB 3.33Å; S83-F86 PolarHBondContact OG-N 3.44Å; F86-E88 HydrophobicContact CD1-CG 3.93Å; F86-E88 VanDerWaalsContact CE1-CD 3.41Å; F86-E88 HydrophobicContact CE1-CG 3.37Å; F86-E88 WeakPolarHBondContact CE2-OE1 3.08Å; F86-E88 HydrophobicContact CZ-CG 3.79Å; F86-E88 WeakPolarHBondContact CZ-OE1 3.41Å; F86-E88 PolarHBondContact O-N 3.24Å; F86-E88 VanDerWaalsContact O-N 3.14Å; F86-S89 PolarHBondContact O-N 3.26Å
87	P	94.4	Very high	97.5	Very high	99 Å²	99	57.1 Å²	57.1	64%	0.643	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-24.1	-172.9	-24.7	34.8	0	0	0	115.4	S89	P87-S89 VanDerWaalsContact C-N 3.28Å; P87-S89 PolarHBondContact O-N 3.3Å
88	E	96.2	Very high	97.4	Very high	129 Å²	129	62.3 Å²	62.3	60%	0.603	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	8.1	-177.9	72.1	-83.7	-154.4	0	0	114.4	F86 E90	F86-E88 HydrophobicContact CD1-CG 3.93Å; F86-E88 VanDerWaalsContact CE1-CD 3.41Å; F86-E88 HydrophobicContact CE1-CG 3.37Å; F86-E88 WeakPolarHBondContact CE2-OE1 3.08Å; F86-E88 HydrophobicContact CZ-CG 3.79Å; F86-E88 WeakPolarHBondContact CZ-OE1 3.41Å; F86-E88 PolarHBondContact O-N 3.24Å; F86-E88 VanDerWaalsContact O-N 3.14Å; E88-E90 PolarHBondContact O-N 3.1Å
89	S	97.3	Very high	97.5	Very high	20 Å²	20	61.5 Å²	61.5	14%	0.14	33%	0.333	C	S	.	.			trans	-49.4	135.8	175.6	-179.4	0	0	0	0	113.4	D77 C81 F86 P87 N91	D77-S89 WeakPolarHBondContact O-CB 3.47Å; D77-S89 PolarHBondContact O-OG 3.21Å; C81-S89 PolarHBondContact O-OG 3.29Å; F86-S89 PolarHBondContact O-N 3.26Å; P87-S89 VanDerWaalsContact C-N 3.28Å; P87-S89 PolarHBondContact O-N 3.3Å; S89-N91 PolarHBondContact O-N 2.82Å; S89-N91 PolarHBondContact OG-N 3.08Å
90	E	97.3	Very high	97.5	Very high	128 Å²	128	57.6 Å²	57.6	60%	0.598	32%	0.316	S	S	*	.			trans	-68.4	-23.3	170.5	-66.4	-175.9	-138.6	0	0	112.9	F79 E88 I92	F79-E90 WeakPolarHBondContact CD1-OE1 3.35Å; E88-E90 PolarHBondContact O-N 3.1Å; E90-I92 VanDerWaalsContact C-N 3.34Å; E90-I92 HydrophobicContact CB-CD1 4.47Å; E90-I92 HydrophobicContact CB-CG1 4.07Å; E90-I92 PolarHBondContact O-N 3.45Å
91	N	98.3	Very high	97.5	Very high	43 Å²	43	59.5 Å²	59.5	23%	0.23	33%	0.327	C	S	.	.			trans	46.8	49.4	-179.4	-171.3	21.8	0	0	0	114.1	F79 W80 K82 S89 C93 G94 I95	F79-N91 PolarHBondContact O-N 3.22Å; W80-N91 CarbonylContact O-C 3.6Å; W80-N91 PolarHBondContact O-OD1 3.45Å; K82-N91 HydrophobicContact CB-CB 4.13Å; K82-N91 PolarHBondContact N-OD1 3.5Å; S89-N91 PolarHBondContact O-N 2.82Å; S89-N91 PolarHBondContact OG-N 3.08Å; N91-C93 PolarHBondContact O-N 3.06Å; N91-G94 PolarHBondContact O-N 3.33Å; N91-G94 WeakPolarHBondContact OD1-CA 3.34Å; N91-G94 PolarHBondContact OD1-N 3.34Å; N91-I95 PolarHBondContact OD1-N 3.1Å; N91-I95 PolarHBondContact OD1-O 2.81Å
92	I	98.7	Very high	97.3	Very high	66 Å²	66	61.4 Å²	61.4	34%	0.338	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-32.3	-176	-65.3	165.6	0	0	0	112.4	F79 W80 E90 G94 I118	F79-I92 HydrophobicContact CB-CD1 4.45Å; F79-I92 WeakPolarHBondContact O-CG1 3.04Å; F79-I92 PolarHBondContact O-N 3.14Å; W80-I92 HydrophobicContact CE3-CB 3.79Å; W80-I92 HydrophobicContact CE3-CD1 4.08Å; W80-I92 HydrophobicContact CE3-CG2 3.92Å; W80-I92 HydrophobicContact CH2-CD1 4.37Å; W80-I92 HydrophobicContact CZ3-CB 4.04Å; W80-I92 HydrophobicContact CZ3-CD1 3.94Å; W80-I92 HydrophobicContact CZ3-CG2 3.71Å; W80-I92 PolarHBondContact O-N 3.39Å; E90-I92 VanDerWaalsContact C-N 3.34Å; E90-I92 HydrophobicContact CB-CD1 4.47Å; E90-I92 HydrophobicContact CB-CG1 4.07Å; E90-I92 PolarHBondContact O-N 3.45Å; I92-G94 VanDerWaalsContact C-N 3.32Å; I92-I118 HydrophobicContact CG2-CD1 4.14Å
93	C	98.7	Very high	97	Very high	9 Å²	9	61.1 Å²	61.1	6%	0.061	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-23.3	177.4	-66.5	0	0	0	0	112.8	W80 N91 I95 C111 K114	W80-C93 WeakPolarHBondContact O-CA 3.33Å; W80-C93 WeakPolarHBondContact O-CB 3.49Å; W80-C93 PolarHBondContact O-N 3.45Å; N91-C93 PolarHBondContact O-N 3.06Å; C93-I95 HydrophobicContact CB-CD1 4.15Å; C93-I95 HydrophobicContact CB-CG1 3.92Å; C93-C111 HydrophobicContact CB-CB 3.71Å; C93-C111 WeakPolarHBondContact CB-SG 3.02Å; C93-C111 WeakPolarHBondContact SG-CA 3.5Å; C93-C111 WeakPolarHBondContact SG-CB 2.96Å; C93-C111 CovalentContact SG-SG 2.03Å; C93-C111 PolarHBondContact SG-SG 2.8Å; C93-K114 PolarHBondContact O-NZ 3.06Å
94	G	98.3	Very high	96.9	Very high	56 Å²	56	67.1 Å²	67.1	58%	0.577	37%	0.368	S	S	*	.			trans	78.5	29.3	178.9	0	0	0	0	0	113.3	N91 I92	N91-G94 PolarHBondContact O-N 3.33Å; N91-G94 WeakPolarHBondContact OD1-CA 3.34Å; N91-G94 PolarHBondContact OD1-N 3.34Å; I92-G94 VanDerWaalsContact C-N 3.32Å
95	I	98.4	Very high	97	Very high	36 Å²	36	63 Å²	63	19%	0.185	34%	0.338	C	S	.	.	S	Bend	trans	-130.8	158.9	-173.8	63	176.1	0	0	0	111.2	C81 K82 N91 C93 L100 C111	C81-I95 HydrophobicContact CB-CG1 4.04Å; K82-I95 PolarHBondContact N-O 3.14Å; N91-I95 PolarHBondContact OD1-N 3.1Å; N91-I95 PolarHBondContact OD1-O 2.81Å; C93-I95 HydrophobicContact CB-CD1 4.15Å; C93-I95 HydrophobicContact CB-CG1 3.92Å; I95-L100 HydrophobicContact CD1-CD2 3.65Å; I95-L100 HydrophobicContact CD1-CG 4.13Å; I95-C111 HydrophobicContact CD1-CB 4.13Å
96	S	98.3	Very high	97.2	Very high	48 Å²	48	62.9 Å²	62.9	34%	0.336	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-75.5	144.1	167.3	171.2	0	0	0	0	109.5	K82 D98 K99	K82-S96 CarbonylContact O-C 3.43Å; K82-S96 WeakPolarHBondContact O-CA 3.48Å; S96-D98 PolarHBondContact O-N 3.4Å; S96-D98 PolarHBondContact OG-N 2.88Å; S96-K99 WeakPolarHBondContact O-CB 3.44Å; S96-K99 PolarHBondContact O-N 3.43Å
97	C	98.5	Very high	97.3	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-64.7	-22.1	173.8	-58.1	0	0	0	0	112.8	Y70 D77 C81 K82 K99 L100	Y70-C97 HydrophobicContact CD1-CB 3.78Å; Y70-C97 HydrophobicContact CD2-CB 3.75Å; Y70-C97 HydrophobicContact CE1-CB 3.82Å; Y70-C97 HydrophobicContact CE2-CB 3.8Å; Y70-C97 HydrophobicContact CG-CB 3.76Å; D77-C97 WeakPolarHBondContact CB-SG 3.34Å; C81-C97 HydrophobicContact CB-CB 3.96Å; C81-C97 WeakPolarHBondContact CB-SG 3.21Å; C81-C97 PolarHBondContact O-SG 3.42Å; C81-C97 VanDerWaalsContact O-SG 3.39Å; C81-C97 VanDerWaalsContact SG-CA 3.51Å; C81-C97 WeakPolarHBondContact SG-CB 3.44Å; C81-C97 CovalentContact SG-SG 2.04Å; C81-C97 PolarHBondContact SG-SG 3.3Å; K82-C97 PolarHBondContact O-N 3.3Å; C97-K99 PolarHBondContact O-N 3.49Å; C97-L100 WeakPolarHBondContact O-CB 3.45Å; C97-L100 PolarHBondContact O-N 3.29Å; C97-L100 VanDerWaalsContact O-N 3.1Å
98	D	98	Very high	97.5	Very high	109 Å²	109	59 Å²	59	58%	0.583	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-63.4	-27.3	176.6	-63	-20.5	0	0	0	112.4	S96 L100 L101	S96-D98 PolarHBondContact O-N 3.4Å; S96-D98 PolarHBondContact OG-N 2.88Å; D98-L100 PolarHBondContact O-N 3.26Å; D98-L101 PolarHBondContact O-N 3.4Å
99	K	98.3	Very high	97.6	Very high	92 Å²	92	53.2 Å²	53.2	40%	0.4	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-66.1	-30.5	176.8	-80.1	-82.8	138.4	-146.7	0	112.5	S96 C97 L101 D102 D107	S96-K99 WeakPolarHBondContact O-CB 3.44Å; S96-K99 PolarHBondContact O-N 3.43Å; C97-K99 PolarHBondContact O-N 3.49Å; K99-L101 PolarHBondContact O-N 3.21Å; K99-D102 IonicContact NZ-OD2 2.66Å; K99-D102 PolarHBondContact NZ-OD2 3.47Å; K99-D102 VanDerWaalsContact O-CG 3.29Å; K99-D102 PolarHBondContact O-N 3.45Å; K99-D107 VanDerWaalsContact CB-OD2 3.26Å; K99-D107 WeakPolarHBondContact CB-OD2 3.35Å
100	L	98.6	Very high	97.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-75	-1.5	178.6	-55.9	172.1	0	0	0	113.8	G71 I75 C81 I95 C97 D98 D108	G71-L100 WeakPolarHBondContact CA-O 3.35Å; I75-L100 HydrophobicContact CB-CD1 3.75Å; I75-L100 HydrophobicContact CD1-CD1 4.28Å; I75-L100 HydrophobicContact CD1-CD2 3.91Å; I75-L100 HydrophobicContact CG2-CD1 3.83Å; C81-L100 HydrophobicContact CB-CD1 3.9Å; C81-L100 VanDerWaalsContact SG-CD1 3.59Å; I95-L100 HydrophobicContact CD1-CD2 3.65Å; I95-L100 HydrophobicContact CD1-CG 4.13Å; C97-L100 WeakPolarHBondContact O-CB 3.45Å; C97-L100 PolarHBondContact O-N 3.29Å; C97-L100 VanDerWaalsContact O-N 3.1Å; D98-L100 PolarHBondContact O-N 3.26Å; L100-D108 WeakPolarHBondContact CA-OD1 3.27Å; L100-D108 HydrophobicContact CD2-CB 4.24Å; L100-D108 WeakPolarHBondContact CD2-OD1 3.12Å
101	L	98.5	Very high	97.7	Very high	43 Å²	43	48.6 Å²	48.6	23%	0.225	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-109.5	0.6	-178.2	-59.8	179.5	0	0	0	112.7	Q59 V61 Y70 D98 K99	Q59-L101 WeakPolarHBondContact CG-O 3.07Å; V61-L101 HydrophobicContact CG2-CD1 3.87Å; V61-L101 HydrophobicContact CG2-CD2 3.64Å; V61-L101 HydrophobicContact CG2-CG 4.43Å; Y70-L101 HydrophobicContact CD1-CD1 3.96Å; Y70-L101 HydrophobicContact CD1-CD2 4.17Å; Y70-L101 HydrophobicContact CD1-CG 4.12Å; Y70-L101 HydrophobicContact CE1-CD1 4.46Å; D98-L101 PolarHBondContact O-N 3.4Å; K99-L101 PolarHBondContact O-N 3.21Å
102	D	95.3	Very high	97.8	Very high	40 Å²	40	46.5 Å²	46.5	21%	0.214	26%	0.263	C	S	.	.	S	Bend	trans	-91.9	176.8	175.7	71.8	41.1	0	0	0	111.5	K99 E104	K99-D102 IonicContact NZ-OD2 2.66Å; K99-D102 PolarHBondContact NZ-OD2 3.47Å; K99-D102 VanDerWaalsContact O-CG 3.29Å; K99-D102 PolarHBondContact O-N 3.45Å; D102-E104 VanDerWaalsContact C-N 3.28Å; D102-E104 WeakPolarHBondContact OD1-CA 3.4Å; D102-E104 VanDerWaalsContact OD1-CB 3.29Å; D102-E104 WeakPolarHBondContact OD1-CB 3.46Å; D102-E104 PolarHBondContact OD1-N 3.34Å
103	D	91.4	Very high	97.8	Very high	116 Å²	116	46 Å²	46	62%	0.62	26%	0.258	S	S	*	.	S	Bend	trans	-83.7	-3.5	-178.8	-78.4	-29.8	0	0	0	112.4	T58 L105	T58-D103 PolarHBondContact OG1-OD1 3.36Å; D103-L105 PolarHBondContact O-N 2.9Å
104	E	95.1	Very high	97.8	Very high	133 Å²	133	50 Å²	50	62%	0.621	28%	0.275	S	S	*	.			trans	-88.1	97.8	179.5	-61	177.4	-156.1	0	0	109.9	D102 D106	D102-E104 VanDerWaalsContact C-N 3.28Å; D102-E104 WeakPolarHBondContact OD1-CA 3.4Å; D102-E104 VanDerWaalsContact OD1-CB 3.29Å; D102-E104 WeakPolarHBondContact OD1-CB 3.46Å; D102-E104 PolarHBondContact OD1-N 3.34Å; E104-D106 VanDerWaalsContact C-N 3.29Å; E104-D106 PolarHBondContact O-N 3.47Å
105	L	97.7	Very high	97.8	Very high	12 Å²	12	47.3 Å²	47.3	6%	0.063	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	4.8	-174.3	-60.1	179	0	0	0	114.8	A31 I32 T58 L72 D103 D108 I109	A31-L105 HydrophobicContact CB-CD1 3.74Å; I32-L105 HydrophobicContact CG2-CD1 4.06Å; T58-L105 HydrophobicContact CG2-CD2 4.03Å; L72-L105 HydrophobicContact CB-CD2 4.38Å; L72-L105 HydrophobicContact CD2-CD1 3.6Å; L72-L105 HydrophobicContact CD2-CD2 3.99Å; L72-L105 HydrophobicContact CD2-CG 4.45Å; D103-L105 PolarHBondContact O-N 2.9Å; L105-D108 HydrophobicContact CB-CB 4.48Å; L105-D108 HydrophobicContact CD2-CB 4.36Å; L105-D108 WeakPolarHBondContact O-CB 3.19Å; L105-D108 PolarHBondContact O-N 3.32Å; L105-I109 HydrophobicContact CB-CD1 4.13Å; L105-I109 HydrophobicContact CB-CG1 4.47Å; L105-I109 VanDerWaalsContact O-CB 3.31Å; L105-I109 WeakPolarHBondContact O-CB 3.49Å; L105-I109 VanDerWaalsContact O-CD1 3.26Å; L105-I109 WeakPolarHBondContact O-CD1 3.4Å; L105-I109 WeakPolarHBondContact O-CG1 3.49Å; L105-I109 PolarHBondContact O-N 3.35Å
106	D	98.1	Very high	97.8	Very high	123 Å²	123	46 Å²	46	66%	0.658	24%	0.24	S	C	*	.	H	α-helix	trans	-65.9	-43.6	-173	-78.3	-15.2	0	0	0	111.8	E104 A110	E104-D106 VanDerWaalsContact C-N 3.29Å; E104-D106 PolarHBondContact O-N 3.47Å; D106-A110 WeakPolarHBondContact O-CB 3.42Å; D106-A110 PolarHBondContact O-N 3.2Å
107	D	97.9	Very high	97.8	Very high	37 Å²	37	46.3 Å²	46.3	20%	0.198	25%	0.246	C	C	.	.	H	α-helix	trans	-78.7	-30.6	177.7	61.4	-62.6	0	0	0	113	K99 A110 C111	K99-D107 VanDerWaalsContact CB-OD2 3.26Å; K99-D107 WeakPolarHBondContact CB-OD2 3.35Å; D107-A110 PolarHBondContact O-N 3.36Å; D107-C111 WeakPolarHBondContact O-CB 2.97Å; D107-C111 PolarHBondContact O-N 3.16Å
108	D	98.7	Very high	97.8	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-55.3	-52.9	166.3	-71.2	41.5	0	0	0	111.2	F73 L100 L105 A110 C111 A112	F73-D108 HydrophobicContact CD2-CB 3.9Å; F73-D108 HydrophobicContact CE2-CB 3.97Å; L100-D108 WeakPolarHBondContact CA-OD1 3.27Å; L100-D108 HydrophobicContact CD2-CB 4.24Å; L100-D108 WeakPolarHBondContact CD2-OD1 3.12Å; L105-D108 HydrophobicContact CB-CB 4.48Å; L105-D108 HydrophobicContact CD2-CB 4.36Å; L105-D108 WeakPolarHBondContact O-CB 3.19Å; L105-D108 PolarHBondContact O-N 3.32Å; D108-A110 VanDerWaalsContact C-N 3.33Å; D108-A110 PolarHBondContact O-N 3.44Å; D108-C111 PolarHBondContact O-N 3.06Å; D108-A112 WeakPolarHBondContact O-CB 3.39Å; D108-A112 PolarHBondContact O-N 3.19Å
109	I	98.7	Very high	97.8	Very high	6 Å²	6	52.1 Å²	52.1	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-42.2	178.9	-70.1	161.4	0	0	0	110.1	I32 I35 F73 L105 C111 A112 K113	I32-I109 HydrophobicContact CB-CD1 4.34Å; I32-I109 HydrophobicContact CG2-CD1 4.44Å; I35-I109 HydrophobicContact CB-CG2 4.07Å; I35-I109 HydrophobicContact CD1-CG2 4.37Å; I35-I109 HydrophobicContact CG1-CG2 4.43Å; F73-I109 HydrophobicContact CE2-CG1 4.21Å; F73-I109 HydrophobicContact CZ-CG1 4.13Å; L105-I109 HydrophobicContact CB-CD1 4.13Å; L105-I109 HydrophobicContact CB-CG1 4.47Å; L105-I109 VanDerWaalsContact O-CB 3.31Å; L105-I109 WeakPolarHBondContact O-CB 3.49Å; L105-I109 VanDerWaalsContact O-CD1 3.26Å; L105-I109 WeakPolarHBondContact O-CD1 3.4Å; L105-I109 WeakPolarHBondContact O-CG1 3.49Å; L105-I109 PolarHBondContact O-N 3.35Å; I109-C111 VanDerWaalsContact C-N 3.33Å; I109-C111 PolarHBondContact O-N 3.42Å; I109-A112 PolarHBondContact O-N 3.5Å; I109-K113 HydrophobicContact CG2-CD 4.15Å; I109-K113 HydrophobicContact CG2-CG 4.45Å; I109-K113 WeakPolarHBondContact O-CB 3.34Å; I109-K113 VanDerWaalsContact O-CG 3.26Å; I109-K113 WeakPolarHBondContact O-CG 3.37Å; I109-K113 PolarHBondContact O-N 2.64Å
110	A	98.7	Very high	97.8	Very high	49 Å²	49	49.1 Å²	49.1	41%	0.405	27%	0.265	S	S	.	.	H	α-helix	trans	-61.9	-41.2	176.7	0	0	0	0	0	111.8	D106 D107 D108 K114	D106-A110 WeakPolarHBondContact O-CB 3.42Å; D106-A110 PolarHBondContact O-N 3.2Å; D107-A110 PolarHBondContact O-N 3.36Å; D108-A110 VanDerWaalsContact C-N 3.33Å; D108-A110 PolarHBondContact O-N 3.44Å; A110-K114 PolarHBondContact O-N 3.47Å
111	C	98.8	Very high	97.8	Very high	2 Å²	2	50 Å²	50	1%	0.014	27%	0.27	C	S	.	.	H	α-helix	trans	-68.6	-46.1	176	-173.7	0	0	0	0	111.5	I75 C93 I95 D107 D108 I109 K113 K114 I115	I75-C111 HydrophobicContact CD1-CB 4.02Å; C93-C111 HydrophobicContact CB-CB 3.71Å; C93-C111 WeakPolarHBondContact CB-SG 3.02Å; C93-C111 WeakPolarHBondContact SG-CA 3.5Å; C93-C111 WeakPolarHBondContact SG-CB 2.96Å; C93-C111 CovalentContact SG-SG 2.03Å; C93-C111 PolarHBondContact SG-SG 2.8Å; I95-C111 HydrophobicContact CD1-CB 4.13Å; D107-C111 WeakPolarHBondContact O-CB 2.97Å; D107-C111 PolarHBondContact O-N 3.16Å; D108-C111 PolarHBondContact O-N 3.06Å; I109-C111 VanDerWaalsContact C-N 3.33Å; I109-C111 PolarHBondContact O-N 3.42Å; C111-K113 VanDerWaalsContact C-N 3.28Å; C111-K113 PolarHBondContact O-N 3.02Å; C111-K114 WeakPolarHBondContact O-CA 3.08Å; C111-K114 WeakPolarHBondContact O-CB 3.37Å; C111-K114 PolarHBondContact O-N 3.2Å; C111-I115 WeakPolarHBondContact O-CG1 3.47Å; C111-I115 PolarHBondContact O-N 2.88Å
112	A	98.8	Very high	97.8	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57	-39.8	175	0	0	0	0	0	112.1	I35 F73 D108 I109 K114 I115 L116 W124	I35-A112 HydrophobicContact CD1-CB 4.13Å; F73-A112 HydrophobicContact CD1-CB 3.55Å; F73-A112 HydrophobicContact CD2-CB 4.43Å; F73-A112 HydrophobicContact CE1-CB 3.65Å; F73-A112 HydrophobicContact CG-CB 3.97Å; F73-A112 HydrophobicContact CZ-CB 4.15Å; D108-A112 WeakPolarHBondContact O-CB 3.39Å; D108-A112 PolarHBondContact O-N 3.19Å; I109-A112 PolarHBondContact O-N 3.5Å; A112-K114 VanDerWaalsContact C-N 3.34Å; A112-K114 PolarHBondContact O-N 3.39Å; A112-I115 PolarHBondContact O-N 2.91Å; A112-L116 WeakPolarHBondContact O-CB 3.24Å; A112-L116 PolarHBondContact O-N 2.77Å; A112-W124 HydrophobicContact CB-CH2 4.31Å; A112-W124 HydrophobicContact CB-CZ2 4.04Å
113	K	98.8	Very high	97.9	Very high	54 Å²	54	53.6 Å²	53.6	24%	0.235	29%	0.286	C	S	.	.	H	α-helix	trans	-62.4	-37.3	173.6	-75.6	177	174.6	172.1	0	112.9	D34 I35 Y38 I109 C111 A117	D34-K113 WeakPolarHBondContact O-CE 3.4Å; D34-K113 PolarHBondContact O-NZ 2.96Å; I35-K113 HydrophobicContact CD1-CG 4Å; I35-K113 HydrophobicContact CG1-CG 3.94Å; Y38-K113 HydrophobicContact CD1-CB 4.1Å; Y38-K113 HydrophobicContact CD1-CD 4.39Å; Y38-K113 HydrophobicContact CD1-CG 3.63Å; Y38-K113 HydrophobicContact CD2-CD 4.48Å; Y38-K113 HydrophobicContact CE1-CB 3.61Å; Y38-K113 HydrophobicContact CE1-CG 3.69Å; Y38-K113 WeakPolarHBondContact CE1-O 3.04Å; Y38-K113 HydrophobicContact CG-CD 4.39Å; Y38-K113 HydrophobicContact CG-CG 4.09Å; Y38-K113 PolarHBondContact OH-O 2.99Å; I109-K113 HydrophobicContact CG2-CD 4.15Å; I109-K113 HydrophobicContact CG2-CG 4.45Å; I109-K113 WeakPolarHBondContact O-CB 3.34Å; I109-K113 VanDerWaalsContact O-CG 3.26Å; I109-K113 WeakPolarHBondContact O-CG 3.37Å; I109-K113 PolarHBondContact O-N 2.64Å; C111-K113 VanDerWaalsContact C-N 3.28Å; C111-K113 PolarHBondContact O-N 3.02Å; K113-A117 WeakPolarHBondContact O-CB 3.4Å; K113-A117 PolarHBondContact O-N 3.28Å; K113-A117 VanDerWaalsContact O-N 3.08Å
114	K	98.7	Very high	98.3	Very high	93 Å²	93	48.4 Å²	48.4	40%	0.404	26%	0.257	S	S	.	.	H	α-helix	trans	-67	-45.6	173.6	-70	176.4	179.3	-179.1	0	111.2	C93 A110 C111 A112 L116 A117 I118	C93-K114 PolarHBondContact O-NZ 3.06Å; A110-K114 PolarHBondContact O-N 3.47Å; C111-K114 WeakPolarHBondContact O-CA 3.08Å; C111-K114 WeakPolarHBondContact O-CB 3.37Å; C111-K114 PolarHBondContact O-N 3.2Å; A112-K114 VanDerWaalsContact C-N 3.34Å; A112-K114 PolarHBondContact O-N 3.39Å; K114-L116 VanDerWaalsContact C-N 3.34Å; K114-L116 PolarHBondContact O-N 3.27Å; K114-A117 PolarHBondContact O-N 3.39Å; K114-I118 WeakPolarHBondContact O-CG1 3.31Å; K114-I118 PolarHBondContact O-N 2.04Å; K114-I118 VanDerWaalsContact O-N 3.08Å
115	I	98.8	Very high	98.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57.7	-50	176.5	-64.4	173.1	0	0	0	110	I75 W80 C111 A112 A117 I118 K119 Y123 W124	I75-I115 HydrophobicContact CB-CD1 4.46Å; I75-I115 HydrophobicContact CD1-CD1 4.27Å; I75-I115 HydrophobicContact CG1-CD1 3.78Å; I75-I115 HydrophobicContact CG2-CD1 4.1Å; W80-I115 HydrophobicContact CB-CD1 4.41Å; W80-I115 HydrophobicContact CD2-CD1 3.84Å; W80-I115 HydrophobicContact CD2-CG1 3.47Å; W80-I115 VanDerWaalsContact CD2-CG1 3.47Å; W80-I115 HydrophobicContact CE3-CD1 4.29Å; W80-I115 HydrophobicContact CE3-CG1 3.51Å; W80-I115 HydrophobicContact CG-CD1 3.85Å; W80-I115 HydrophobicContact CG-CG1 4.05Å; W80-I115 HydrophobicContact CH2-CB 4.25Å; W80-I115 HydrophobicContact CH2-CG1 3.89Å; W80-I115 HydrophobicContact CH2-CG2 4.42Å; W80-I115 HydrophobicContact CZ2-CB 4.27Å; W80-I115 HydrophobicContact CZ2-CG1 3.84Å; W80-I115 HydrophobicContact CZ2-CG2 4.04Å; W80-I115 HydrophobicContact CZ3-CB 4.43Å; W80-I115 HydrophobicContact CZ3-CG1 3.72Å; C111-I115 WeakPolarHBondContact O-CG1 3.47Å; C111-I115 PolarHBondContact O-N 2.88Å; A112-I115 PolarHBondContact O-N 2.91Å; I115-A117 VanDerWaalsContact C-N 3.29Å; I115-A117 PolarHBondContact O-N 3.44Å; I115-I118 PolarHBondContact O-N 2.93Å; I115-I118 VanDerWaalsContact O-N 3.09Å; I115-K119 HydrophobicContact CG2-CB 4.48Å; I115-K119 PolarHBondContact O-N 2.93Å; I115-Y123 HydrophobicContact CD1-CE1 4.27Å; I115-Y123 HydrophobicContact CG2-CD1 3.57Å; I115-Y123 HydrophobicContact CG2-CD2 3.77Å; I115-Y123 HydrophobicContact CG2-CE1 4.11Å; I115-Y123 HydrophobicContact CG2-CE2 4.28Å; I115-Y123 HydrophobicContact CG2-CG 3.39Å; I115-W124 HydrophobicContact CB-CH2 3.95Å; I115-W124 HydrophobicContact CB-CZ2 4.46Å; I115-W124 HydrophobicContact CG2-CH2 3.73Å; I115-W124 HydrophobicContact CG2-CZ2 4.21Å; I115-W124 HydrophobicContact CG2-CZ3 4.17Å
116	L	98.6	Very high	98.4	Very high	8 Å²	8	49.8 Å²	49.8	4%	0.042	26%	0.263	C	S	.	.	H	α-helix	trans	-59.4	-40.3	179.5	-174.3	67.1	0	0	0	112	Y38 Q39 I41 W46 A112 K114 I118 G120 I121 W124	Y38-L116 HydrophobicContact CD1-CD2 3.49Å; Y38-L116 VanDerWaalsContact CD1-CD2 3.49Å; Y38-L116 HydrophobicContact CE1-CB 4.33Å; Y38-L116 HydrophobicContact CE1-CD2 3.89Å; Y38-L116 HydrophobicContact CE1-CG 4.47Å; Q39-L116 HydrophobicContact CB-CD2 3.67Å; Q39-L116 HydrophobicContact CB-CG 4.07Å; Q39-L116 HydrophobicContact CG-CD2 3.9Å; Q39-L116 HydrophobicContact CG-CG 4.1Å; I41-L116 HydrophobicContact CG1-CD1 4.25Å; I41-L116 HydrophobicContact CG1-CD2 4.2Å; W46-L116 HydrophobicContact CZ2-CD2 4.07Å; A112-L116 WeakPolarHBondContact O-CB 3.24Å; A112-L116 PolarHBondContact O-N 2.77Å; K114-L116 VanDerWaalsContact C-N 3.34Å; K114-L116 PolarHBondContact O-N 3.27Å; L116-I118 VanDerWaalsContact C-N 3.33Å; L116-I118 PolarHBondContact O-N 3.28Å; L116-G120 WeakPolarHBondContact O-CA 3.5Å; L116-G120 PolarHBondContact O-N 2.95Å; L116-I121 HydrophobicContact CD1-CB 3.73Å; L116-I121 HydrophobicContact CD1-CD1 4Å; L116-I121 HydrophobicContact CD1-CG1 4.45Å; L116-I121 VanDerWaalsContact CD1-N 3.33Å; L116-W124 HydrophobicContact CB-CH2 4.34Å; L116-W124 HydrophobicContact CB-CZ3 4.23Å; L116-W124 HydrophobicContact CD1-CZ3 4.07Å
117	A	98.5	Very high	98.4	Very high	56 Å²	56	45.7 Å²	45.7	46%	0.463	24%	0.239	S	C	.	.	H	α-helix	trans	-67.4	-30	177.3	0	0	0	0	0	113.6	K113 K114 I115	K113-A117 WeakPolarHBondContact O-CB 3.4Å; K113-A117 PolarHBondContact O-N 3.28Å; K113-A117 VanDerWaalsContact O-N 3.08Å; K114-A117 PolarHBondContact O-N 3.39Å; I115-A117 VanDerWaalsContact C-N 3.29Å; I115-A117 PolarHBondContact O-N 3.44Å
118	I	98.4	Very high	98.4	Very high	99 Å²	99	51.1 Å²	51.1	51%	0.508	26%	0.261	S	S	.	.	H	α-helix	trans	-95	-41	-175.4	-67.3	166.9	0	0	0	112.4	W80 I92 K114 I115 L116	W80-I118 HydrophobicContact CH2-CB 4.13Å; W80-I118 HydrophobicContact CH2-CD1 4.17Å; W80-I118 HydrophobicContact CH2-CG2 4.11Å; W80-I118 HydrophobicContact CZ3-CD1 3.97Å; I92-I118 HydrophobicContact CG2-CD1 4.14Å; K114-I118 WeakPolarHBondContact O-CG1 3.31Å; K114-I118 PolarHBondContact O-N 2.04Å; K114-I118 VanDerWaalsContact O-N 3.08Å; I115-I118 PolarHBondContact O-N 2.93Å; I115-I118 VanDerWaalsContact O-N 3.09Å; L116-I118 VanDerWaalsContact C-N 3.33Å; L116-I118 PolarHBondContact O-N 3.28Å
119	K	98.3	Very high	98.3	Very high	131 Å²	131	55.7 Å²	55.7	57%	0.57	29%	0.29	S	S	*	.	H	α-helix	trans	-110.9	-14.3	-172.7	-61.5	-60	-175	178.2	0	113.7	W80 I115 Y123	W80-K119 HydrophobicContact CH2-CG 4.03Å; W80-K119 HydrophobicContact CZ2-CG 3.69Å; I115-K119 HydrophobicContact CG2-CB 4.48Å; I115-K119 PolarHBondContact O-N 2.93Å; K119-Y123 HydrophobicContact CG-CD2 4.45Å
120	G	98.3	Very high	98.2	Very high	29 Å²	29	60.1 Å²	60.1	30%	0.299	31%	0.312	S	S	.	.			trans	72.1	178.2	-169.7	0	0	0	0	0	112.6	L116 D122 Y123	L116-G120 WeakPolarHBondContact O-CA 3.5Å; L116-G120 PolarHBondContact O-N 2.95Å; G120-D122 PolarHBondContact O-N 2.89Å; G120-Y123 PolarHBondContact O-N 2.8Å
121	I	98.2	Very high	98.2	Very high	20 Å²	20	57.8 Å²	57.8	10%	0.103	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-68.8	-17.9	-175.4	-168	63.9	0	0	0	112.4	I41 W46 L116 Y123 W124 Y127	I41-I121 HydrophobicContact CD1-CB 3.92Å; I41-I121 HydrophobicContact CD1-CD1 4.4Å; I41-I121 HydrophobicContact CD1-CG1 3.96Å; I41-I121 HydrophobicContact CD1-CG2 4.04Å; I41-I121 HydrophobicContact CG1-CB 4.26Å; I41-I121 HydrophobicContact CG1-CD1 4.11Å; I41-I121 HydrophobicContact CG1-CG1 4.21Å; I41-I121 HydrophobicContact CG2-CD1 3.98Å; I41-I121 HydrophobicContact CG2-CG1 4.46Å; W46-I121 HydrophobicContact CH2-CD1 3.92Å; W46-I121 HydrophobicContact CZ2-CD1 4.04Å; W46-I121 HydrophobicContact CZ3-CD1 4.31Å; L116-I121 HydrophobicContact CD1-CB 3.73Å; L116-I121 HydrophobicContact CD1-CD1 4Å; L116-I121 HydrophobicContact CD1-CG1 4.45Å; L116-I121 VanDerWaalsContact CD1-N 3.33Å; I121-Y123 PolarHBondContact O-N 3.44Å; I121-Y123 VanDerWaalsContact O-N 3.14Å; I121-W124 HydrophobicContact CD1-CE3 3.77Å; I121-W124 HydrophobicContact CD1-CZ3 4.16Å; I121-W124 PolarHBondContact O-N 3.49Å; I121-Y127 HydrophobicContact CB-CD1 4.19Å; I121-Y127 HydrophobicContact CB-CE1 4.35Å; I121-Y127 HydrophobicContact CB-CG 4.31Å; I121-Y127 HydrophobicContact CD1-CD2 4.27Å; I121-Y127 HydrophobicContact CG1-CD1 3.78Å; I121-Y127 HydrophobicContact CG1-CD2 3.42Å; I121-Y127 VanDerWaalsContact CG1-CD2 3.42Å; I121-Y127 HydrophobicContact CG1-CE1 4.11Å; I121-Y127 HydrophobicContact CG1-CE2 3.77Å; I121-Y127 HydrophobicContact CG1-CG 3.42Å; I121-Y127 VanDerWaalsContact CG1-CG 3.42Å; I121-Y127 HydrophobicContact CG2-CD1 3.39Å; I121-Y127 HydrophobicContact CG2-CD2 4.48Å; I121-Y127 HydrophobicContact CG2-CE1 3.33Å; I121-Y127 HydrophobicContact CG2-CE2 4.43Å; I121-Y127 HydrophobicContact CG2-CG 4Å
122	D	97.4	Very high	98	Very high	106 Å²	106	60.9 Å²	60.9	57%	0.567	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-65.8	-11	176.2	-74.5	-18.3	0	0	0	113.7	G120 W124	G120-D122 PolarHBondContact O-N 2.89Å; D122-W124 PolarHBondContact O-N 3.24Å
123	Y	98.4	Very high	97.8	Very high	52 Å²	52	66.5 Å²	66.5	20%	0.204	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-55.4	-41	167	178.6	-92.9	0	0	0	110.9	Q74 S76 W80 I115 K119 G120 I121 K125	Q74-Y123 PolarHBondContact O-OH 3.47Å; S76-Y123 PolarHBondContact N-OH 3.07Å; W80-Y123 AromaticContact NE1-CE2 3.28Å; W80-Y123 VanDerWaalsContact NE1-CE2 3.28Å; W80-Y123 AromaticContact NE1-CZ 3.65Å; I115-Y123 HydrophobicContact CD1-CE1 4.27Å; I115-Y123 HydrophobicContact CG2-CD1 3.57Å; I115-Y123 HydrophobicContact CG2-CD2 3.77Å; I115-Y123 HydrophobicContact CG2-CE1 4.11Å; I115-Y123 HydrophobicContact CG2-CE2 4.28Å; I115-Y123 HydrophobicContact CG2-CG 3.39Å; K119-Y123 HydrophobicContact CG-CD2 4.45Å; G120-Y123 PolarHBondContact O-N 2.8Å; I121-Y123 PolarHBondContact O-N 3.44Å; I121-Y123 VanDerWaalsContact O-N 3.14Å; Y123-K125 PolarHBondContact O-N 3.11Å
124	W	98.5	Very high	97.7	Very high	6 Å²	6	71.6 Å²	71.6	2%	0.023	36%	0.363	C	S	.	.	S	Bend	trans	-86.3	96.5	174.4	-61.7	-86.3	0	0	0	109.8	W46 V49 F73 A112 I115 L116 I121 D122 A126 Y127	W46-W124 HydrophobicContact CH2-CD2 4.22Å; W46-W124 AromaticContact CH2-CE3 3.97Å; W46-W124 HydrophobicContact CH2-CE3 3.97Å; W46-W124 AromaticContact CH2-CH2 3.56Å; W46-W124 HydrophobicContact CH2-CH2 3.56Å; W46-W124 AromaticContact CH2-CZ2 3.83Å; W46-W124 HydrophobicContact CH2-CZ2 3.83Å; W46-W124 AromaticContact CH2-CZ3 3.64Å; W46-W124 HydrophobicContact CH2-CZ3 3.64Å; W46-W124 HydrophobicContact CZ3-CD2 4.09Å; W46-W124 AromaticContact CZ3-CE2 3.98Å; W46-W124 HydrophobicContact CZ3-CE3 4.27Å; W46-W124 HydrophobicContact CZ3-CH2 4.23Å; W46-W124 HydrophobicContact CZ3-CZ2 4.05Å; W46-W124 HydrophobicContact CZ3-CZ3 4.34Å; V49-W124 HydrophobicContact CG1-CB 3.54Å; V49-W124 HydrophobicContact CG1-CD2 4.48Å; V49-W124 HydrophobicContact CG1-CG 3.68Å; F73-W124 HydrophobicContact CD1-CZ2 4.14Å; F73-W124 PolarHBondContact O-NE1 2.99Å; A112-W124 HydrophobicContact CB-CH2 4.31Å; A112-W124 HydrophobicContact CB-CZ2 4.04Å; I115-W124 HydrophobicContact CB-CH2 3.95Å; I115-W124 HydrophobicContact CB-CZ2 4.46Å; I115-W124 HydrophobicContact CG2-CH2 3.73Å; I115-W124 HydrophobicContact CG2-CZ2 4.21Å; I115-W124 HydrophobicContact CG2-CZ3 4.17Å; L116-W124 HydrophobicContact CB-CH2 4.34Å; L116-W124 HydrophobicContact CB-CZ3 4.23Å; L116-W124 HydrophobicContact CD1-CZ3 4.07Å; I121-W124 HydrophobicContact CD1-CE3 3.77Å; I121-W124 HydrophobicContact CD1-CZ3 4.16Å; I121-W124 PolarHBondContact O-N 3.49Å; D122-W124 PolarHBondContact O-N 3.24Å; W124-A126 PolarHBondContact O-N 2.97Å; W124-Y127 WeakPolarHBondContact O-CB 3.47Å; W124-Y127 PolarHBondContact O-N 2.79Å
125	K	97.8	Very high	97.6	Very high	160 Å²	160	68.4 Å²	68.4	70%	0.696	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-25.1	-174.6	-63.7	168.1	-174.1	155.6	0	114.4	D64 Y123 Y127 P129	D64-K125 IonicContact OD2-NZ 3.87Å; Y123-K125 PolarHBondContact O-N 3.11Å; K125-Y127 VanDerWaalsContact C-N 3.31Å; K125-Y127 PolarHBondContact O-N 3.48Å; K125-P129 VanDerWaalsContact O-CD 3.24Å; K125-P129 WeakPolarHBondContact O-CD 3.38Å; K125-P129 WeakPolarHBondContact O-CG 3.47Å
126	A	97.5	Very high	97.4	Very high	14 Å²	14	74.2 Å²	74.2	12%	0.116	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-26.1	176.9	0	0	0	0	0	113.8	H52 W124 P129 M130	H52-A126 HydrophobicContact CB-CB 3.53Å; W124-A126 PolarHBondContact O-N 2.97Å; A126-P129 VanDerWaalsContact O-CD 3.31Å; A126-P129 WeakPolarHBondContact O-CD 3.16Å; A126-P129 WeakPolarHBondContact O-CG 3.42Å; A126-M130 WeakPolarHBondContact O-CB 3.28Å; A126-M130 PolarHBondContact O-N 3.5Å; A126-M130 VanDerWaalsContact O-N 3.11Å
127	Y	98.4	Very high	97.1	Very high	37 Å²	37	80.4 Å²	80.4	15%	0.145	41%	0.406	C	S	.	.	H	α-helix	trans	-57.5	-61.4	-168.5	176.4	-104.1	0	0	0	113.1	I41 E45 V49 I121 W124 K125 M130 C131 S132	I41-Y127 HydrophobicContact CD1-CE2 4.44Å; E45-Y127 HydrophobicContact CB-CE2 4.12Å; E45-Y127 HydrophobicContact CG-CE2 4.12Å; E45-Y127 VanDerWaalsContact OE1-CE2 3.25Å; E45-Y127 WeakPolarHBondContact OE1-CE2 3.04Å; E45-Y127 PolarHBondContact OE1-OH 3.43Å; V49-Y127 HydrophobicContact CG2-CD2 3.82Å; V49-Y127 HydrophobicContact CG2-CG 4.39Å; I121-Y127 HydrophobicContact CB-CD1 4.19Å; I121-Y127 HydrophobicContact CB-CE1 4.35Å; I121-Y127 HydrophobicContact CB-CG 4.31Å; I121-Y127 HydrophobicContact CD1-CD2 4.27Å; I121-Y127 HydrophobicContact CG1-CD1 3.78Å; I121-Y127 HydrophobicContact CG1-CD2 3.42Å; I121-Y127 VanDerWaalsContact CG1-CD2 3.42Å; I121-Y127 HydrophobicContact CG1-CE1 4.11Å; I121-Y127 HydrophobicContact CG1-CE2 3.77Å; I121-Y127 HydrophobicContact CG1-CG 3.42Å; I121-Y127 VanDerWaalsContact CG1-CG 3.42Å; I121-Y127 HydrophobicContact CG2-CD1 3.39Å; I121-Y127 HydrophobicContact CG2-CD2 4.48Å; I121-Y127 HydrophobicContact CG2-CE1 3.33Å; I121-Y127 HydrophobicContact CG2-CE2 4.43Å; I121-Y127 HydrophobicContact CG2-CG 4Å; W124-Y127 WeakPolarHBondContact O-CB 3.47Å; W124-Y127 PolarHBondContact O-N 2.79Å; K125-Y127 VanDerWaalsContact C-N 3.31Å; K125-Y127 PolarHBondContact O-N 3.48Å; Y127-M130 PolarHBondContact O-N 3.37Å; Y127-C131 HydrophobicContact CD2-CB 4.1Å; Y127-C131 CarbonylContact O-C 3.58Å; Y127-C131 WeakPolarHBondContact O-CA 3.11Å; Y127-C131 WeakPolarHBondContact O-CB 3.27Å; Y127-C131 PolarHBondContact O-N 2.77Å; Y127-S132 PolarHBondContact O-N 3.47Å
128	K	97.3	Very high	97	Very high	152 Å²	152	78.8 Å²	78.8	66%	0.661	39%	0.388	S	S	*	.	H	α-helix	trans	-61.3	-44.1	-175.4	-172.5	172.4	-173.5	169.7	0	114.5	S132	K128-S132 PolarHBondContact O-OG 3.23Å
129	P	97.1	Very high	96.9	Very high	95 Å²	95	79.4 Å²	79.4	62%	0.617	38%	0.384	S	S	*	.	H	α-helix	trans	-77.7	-24.3	-179.5	27.6	-34.9	0	0	0	114.7	K125 A126	K125-P129 VanDerWaalsContact O-CD 3.24Å; K125-P129 WeakPolarHBondContact O-CD 3.38Å; K125-P129 WeakPolarHBondContact O-CG 3.47Å; A126-P129 VanDerWaalsContact O-CD 3.31Å; A126-P129 WeakPolarHBondContact O-CD 3.16Å; A126-P129 WeakPolarHBondContact O-CG 3.42Å
130	M	97.3	Very high	96.5	Very high	100 Å²	100	74.9 Å²	74.9	49%	0.493	37%	0.368	S	S	.	.	H	α-helix	trans	-125.8	-25.3	-167.1	-59.7	176.3	179.1	0	0	114.5	C48 H52 A126 Y127	C48-M130 PolarHBondContact SG-O 3.29Å; H52-M130 HydrophobicContact CB-SD 4.04Å; H52-M130 VanDerWaalsContact CE1-SD 3.56Å; H52-M130 PolarHBondContact ND1-SD 2.89Å; H52-M130 VanDerWaalsContact ND1-SD 3.37Å; A126-M130 WeakPolarHBondContact O-CB 3.28Å; A126-M130 PolarHBondContact O-N 3.5Å; A126-M130 VanDerWaalsContact O-N 3.11Å; Y127-M130 PolarHBondContact O-N 3.37Å
131	C	98.2	Very high	95.7	Very high	0 Å²	0	81.1 Å²	81.1	0%	0	39%	0.39	C	S	.	.	S	Bend	trans	-126	13.6	-163.3	-52.9	0	0	0	0	114.7	C48 V49 Y127	C48-C131 HydrophobicContact CB-CB 3.55Å; C48-C131 WeakPolarHBondContact CB-SG 3.48Å; C48-C131 WeakPolarHBondContact SG-CA 3.29Å; C48-C131 WeakPolarHBondContact SG-CB 3.32Å; C48-C131 CovalentContact SG-SG 2.03Å; C48-C131 PolarHBondContact SG-SG 3.28Å; V49-C131 HydrophobicContact CG2-CB 4Å; V49-C131 PolarHBondContact N-SG 3.14Å; V49-C131 VanDerWaalsContact N-SG 3.39Å; Y127-C131 HydrophobicContact CD2-CB 4.1Å; Y127-C131 CarbonylContact O-C 3.58Å; Y127-C131 WeakPolarHBondContact O-CA 3.11Å; Y127-C131 WeakPolarHBondContact O-CB 3.27Å; Y127-C131 PolarHBondContact O-N 2.77Å
132	S	95.2	Very high	94.2	Very high	66 Å²	66	88.2 Å²	88.2	46%	0.462	42%	0.42	S	S	.	.	S	Bend	trans	-90.4	-12.9	177.1	64.6	0	0	0	0	114	Y127 K128	Y127-S132 PolarHBondContact O-N 3.47Å; K128-S132 PolarHBondContact O-OG 3.23Å
133	E	95	Very high	92.3	Very high	119 Å²	119	89 Å²	89	56%	0.556	43%	0.431	S	S	*	.	S	Bend	trans	-154.7	170.1	-178	57.9	165	-134.1	0	0	112	L135	E133-L135 PolarHBondContact O-N 3Å
134	K	94.7	Very high	92	Very high	161 Å²	161	90.9 Å²	90.9	70%	0.7	44%	0.442	S	S	*	.			trans	53.7	51.3	176.1	-58.2	-170.8	-178.4	85.8	0	113.9
135	L	96.8	Very high	91.6	Very high	25 Å²	25	95.3 Å²	95.3	13%	0.131	46%	0.464	C	S	.	.			trans	-90.9	0	-168.1	-61.2	173.5	0	0	0	116	L44 E45 C48 E133 Q137 W138	L44-L135 HydrophobicContact CB-CB 4.01Å; L44-L135 HydrophobicContact CB-CD1 4.26Å; L44-L135 HydrophobicContact CD1-CB 4.38Å; E45-L135 HydrophobicContact CB-CD1 4.42Å; E45-L135 HydrophobicContact CG-CD1 3.38Å; C48-L135 HydrophobicContact CB-CD2 4.2Å; E133-L135 PolarHBondContact O-N 3Å; L135-Q137 PolarHBondContact O-N 2.69Å; L135-Q137 VanDerWaalsContact O-N 3.12Å; L135-W138 WeakPolarHBondContact O-CB 3.23Å; L135-W138 PolarHBondContact O-N 3.17Å
136	E	95.1	Very high	91.3	Very high	123 Å²	123	91.7 Å²	91.7	58%	0.575	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-58.7	-31.7	-172.5	-66.3	-56.2	149.4	0	0	113.6	W138 R139	E136-W138 PolarHBondContact O-N 2.91Å; E136-R139 VanDerWaalsContact O-CB 3.24Å; E136-R139 WeakPolarHBondContact O-CB 3.28Å; E136-R139 PolarHBondContact O-N 2.81Å; E136-R139 VanDerWaalsContact O-N 3.14Å; E136-R139 IonicContact OE1-NH2 3.54Å; E136-R139 IonicContact OE2-CZ 3.41Å; E136-R139 IonicContact OE2-NE 3.07Å; E136-R139 PolarHBondContact OE2-NE 3Å; E136-R139 VanDerWaalsContact OE2-NE 3.07Å; E136-R139 IonicContact OE2-NH2 2.86Å; E136-R139 PolarHBondContact OE2-NH2 3.1Å
137	Q	93.5	Very high	90.9	Very high	137 Å²	137	96.3 Å²	96.3	64%	0.64	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-63.4	-20.9	176.2	70	-173.1	-55	0	0	113.9	K25 L135 R139	K25-Q137 PolarHBondContact NZ-O 2.87Å; L135-Q137 PolarHBondContact O-N 2.69Å; L135-Q137 VanDerWaalsContact O-N 3.12Å; Q137-R139 VanDerWaalsContact C-N 3.3Å
138	W	95.8	Very high	90.4	Very high	22 Å²	22	100 Å²	100	8%	0.083	49%	0.491	C	S	.	.	G	3₁₀ helix	trans	-85.8	-5.9	179.9	-56.8	112	0	0	0	113	K25 L44 A47 C48 F51 H52 L135 E136 C140	K25-W138 HydrophobicContact CD-CE3 4.37Å; L44-W138 HydrophobicContact CD2-CB 4.48Å; A47-W138 HydrophobicContact CB-CB 4.12Å; C48-W138 HydrophobicContact CB-CD2 3.68Å; C48-W138 VanDerWaalsContact CB-CE2 3.45Å; C48-W138 HydrophobicContact CB-CE3 4.4Å; C48-W138 HydrophobicContact CB-CG 3.78Å; C48-W138 HydrophobicContact CB-CZ2 4.02Å; C48-W138 PolarHBondContact SG-NE1 2.91Å; F51-W138 HydrophobicContact CB-CE3 4.45Å; F51-W138 HydrophobicContact CB-CH2 3.75Å; F51-W138 HydrophobicContact CB-CZ3 3.46Å; F51-W138 VanDerWaalsContact CB-CZ3 3.46Å; F51-W138 AromaticContact CD1-CH2 3.36Å; F51-W138 HydrophobicContact CD1-CH2 3.36Å; F51-W138 HydrophobicContact CD1-CZ2 4.49Å; F51-W138 AromaticContact CD1-CZ3 3.83Å; F51-W138 HydrophobicContact CD1-CZ3 3.83Å; F51-W138 HydrophobicContact CD2-CZ3 4.22Å; F51-W138 HydrophobicContact CE1-CH2 4.05Å; F51-W138 AromaticContact CG-CH2 3.64Å; F51-W138 HydrophobicContact CG-CH2 3.64Å; F51-W138 AromaticContact CG-CZ3 3.56Å; F51-W138 HydrophobicContact CG-CZ3 3.56Å; H52-W138 AromaticContact NE2-CH2 3.9Å; H52-W138 AromaticContact NE2-CZ2 3.67Å; L135-W138 WeakPolarHBondContact O-CB 3.23Å; L135-W138 PolarHBondContact O-N 3.17Å; E136-W138 PolarHBondContact O-N 2.91Å; W138-C140 PolarHBondContact O-N 2.95Å
139	R	95.2	Very high	90	Very high	113 Å²	113	96.5 Å²	96.5	43%	0.426	48%	0.48	S	S	.	.	S	Bend	trans	-66.3	132.4	175.2	-170.2	176.7	-60	-74.3	-0.4	109.7	K25 L44 E136 Q137 E141	K25-R139 WeakPolarHBondContact CE-O 3.21Å; K25-R139 PolarHBondContact NZ-O 2.8Å; L44-R139 VanDerWaalsContact CD2-CA 3.45Å; L44-R139 HydrophobicContact CD2-CB 3.91Å; L44-R139 HydrophobicContact CD2-CG 4.43Å; E136-R139 VanDerWaalsContact O-CB 3.24Å; E136-R139 WeakPolarHBondContact O-CB 3.28Å; E136-R139 PolarHBondContact O-N 2.81Å; E136-R139 VanDerWaalsContact O-N 3.14Å; E136-R139 IonicContact OE1-NH2 3.54Å; E136-R139 IonicContact OE2-CZ 3.41Å; E136-R139 IonicContact OE2-NE 3.07Å; E136-R139 PolarHBondContact OE2-NE 3Å; E136-R139 VanDerWaalsContact OE2-NE 3.07Å; E136-R139 IonicContact OE2-NH2 2.86Å; E136-R139 PolarHBondContact OE2-NH2 3.1Å; Q137-R139 VanDerWaalsContact C-N 3.3Å; R139-E141 PolarHBondContact O-N 2.99Å
140	C	90.3	Very high	89.5	Confident	36 Å²	36	96.6 Å²	96.6	24%	0.243	47%	0.47	C	S	.	.			trans	-75	116.1	167.2	175.6	0	0	0	0	108.9	C26 W138	C26-C140 HydrophobicContact CB-CB 4.06Å; C26-C140 WeakPolarHBondContact CB-SG 3.44Å; C26-C140 WeakPolarHBondContact SG-CA 3.23Å; C26-C140 WeakPolarHBondContact SG-CB 3.34Å; C26-C140 CovalentContact SG-SG 2.03Å; C26-C140 PolarHBondContact SG-SG 3.08Å; W138-C140 PolarHBondContact O-N 2.95Å
141	E	81.1	Confident	88.9	Confident	160 Å²	160	96.4 Å²	96.4	75%	0.748	47%	0.469	S	S	*	.			trans	-85.8	-34	-177.6	-66.7	-170.4	170.5	0	0	112.8	R139	R139-E141 PolarHBondContact O-N 2.99Å
142	K	68.6	Low	88.1	Confident	169 Å²	169	104.4 Å²	104.4	74%	0.735	51%	0.508	S	S	*	.			trans	-161.8	141.8	165.2	-65.5	-161.1	-175.6	78	0	109.8	C26	C26-K142 PolarHBondContact SG-O 3.44Å
143	P	55.7	Low	87.4	Confident	122 Å²	122	107.9 Å²	107.9	79%	0.792	51%	0.512	S	S	*	.			trans	-70.2	0	171.2	30.2	-33.8	0	0	0	113	L23	L23-P143 WeakPolarHBondContact CD1-OXT 3.43Å

Retrieved 143 of 143 residues in 211.7 ms (Link to these results)

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