A0A087Y270_POEFO Loading...

Phospholipase A2

AlphaFold DB , UniProt , Accession A0A087Y270, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 152 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.1	Very low	53.1	Low	234 Å²	234	166.8 Å²	166.8	100%	1.153	83%	0.83	S	S	*	*				0	107	0	-65.5	171.6	71.7	0	0	104.9
2	T	40.8	Very low	53.7	Low	117 Å²	117	162.8 Å²	162.8	72%	0.718	82%	0.821	S	S	*	*			cis	-169.8	136.9	38.6	26.2	0	0	0	0	109.3
3	F	48.1	Very low	54.4	Low	195 Å²	195	157.7 Å²	157.7	86%	0.855	82%	0.819	S	S	*	*			trans	52.2	103.5	143.7	-64.9	-81.7	0	0	0	122.6
4	Y	49.5	Very low	55.2	Low	200 Å²	200	155.4 Å²	155.4	78%	0.784	82%	0.815	S	S	*	*			trans	-47.2	138.8	141.5	-93.9	-107.3	0	0	0	112.4	I6	Y4-I6 HydrophobicContact CD1-CD1 4.15Å; Y4-I6 HydrophobicContact CD1-CG1 4.05Å; Y4-I6 HydrophobicContact CE1-CD1 4.48Å
5	Q	57.8	Low	55.7	Low	189 Å²	189	150.4 Å²	150.4	88%	0.883	81%	0.805	S	S	*	*			trans	-146.1	110.2	147	-112.7	167.8	-17.3	0	0	109.6	L7	Q5-L7 PolarHBondContact O-N 2.82Å
6	I	59.8	Low	55.7	Low	129 Å²	129	148.6 Å²	148.6	66%	0.662	80%	0.804	S	S	*	*			trans	-76.6	113.9	179.2	-63.8	164.9	0	0	0	107.2	Y4 L8	Y4-I6 HydrophobicContact CD1-CD1 4.15Å; Y4-I6 HydrophobicContact CD1-CG1 4.05Å; Y4-I6 HydrophobicContact CE1-CD1 4.48Å; I6-L8 HydrophobicContact CG2-CG 4.16Å; I6-L8 PolarHBondContact O-N 2.77Å
7	L	56.8	Low	56	Low	163 Å²	163	145.3 Å²	145.3	85%	0.853	80%	0.802	S	S	*	*			trans	-84.1	95.8	169.2	-79.1	162.3	0	0	0	108.6	Q5 L9	Q5-L7 PolarHBondContact O-N 2.82Å; L7-L9 PolarHBondContact O-N 3.48Å
8	L	59.5	Low	56.1	Low	141 Å²	141	141.7 Å²	141.7	74%	0.738	79%	0.794	S	S	*	*			trans	-71.7	100.3	167.6	-78.1	164.7	0	0	0	108.8	I6 F10	I6-L8 HydrophobicContact CG2-CG 4.16Å; I6-L8 PolarHBondContact O-N 2.77Å; L8-F10 PolarHBondContact O-N 2.74Å
9	L	57.3	Low	56	Low	162 Å²	162	138.9 Å²	138.9	85%	0.848	79%	0.791	S	S	*	*			trans	-75.7	102	167.1	-68.8	171.8	0	0	0	108.2	L7 S11	L7-L9 PolarHBondContact O-N 3.48Å; L9-S11 VanDerWaalsContact C-N 3.33Å; L9-S11 PolarHBondContact O-N 3.13Å
10	F	54	Low	55.6	Low	189 Å²	189	140.9 Å²	140.9	83%	0.829	79%	0.793	S	S	*	*			trans	-66.8	93.4	165.8	-88.1	-88.8	0	0	0	108.7	L8 V12	L8-F10 PolarHBondContact O-N 2.74Å; F10-V12 VanDerWaalsContact C-N 3.35Å; F10-V12 PolarHBondContact O-N 2.87Å
11	S	57.3	Low	55.2	Low	116 Å²	116	138.2 Å²	138.2	81%	0.811	78%	0.784	S	S	*	*			trans	-71.1	92.4	166.3	45.3	0	0	0	0	108.7	L9 A13	L9-S11 VanDerWaalsContact C-N 3.33Å; L9-S11 PolarHBondContact O-N 3.13Å; S11-A13 PolarHBondContact O-N 3.01Å; S11-A13 VanDerWaalsContact O-N 3.09Å
12	V	61.2	Low	55.3	Low	118 Å²	118	131.8 Å²	131.8	72%	0.715	76%	0.761	S	S	*	*			trans	-68	103.4	165.4	-176	0	0	0	0	106.6	F10 V14	F10-V12 VanDerWaalsContact C-N 3.35Å; F10-V12 PolarHBondContact O-N 2.87Å; V12-V14 VanDerWaalsContact C-N 3.33Å; V12-V14 HydrophobicContact CG1-CG2 4.37Å; V12-V14 PolarHBondContact O-N 2.79Å
13	A	62.2	Low	55.5	Low	97 Å²	97	133.3 Å²	133.3	80%	0.802	76%	0.76	S	S	*	*			trans	-67.8	96.4	168.6	0	0	0	0	0	107.9	S11 A15	S11-A13 PolarHBondContact O-N 3.01Å; S11-A13 VanDerWaalsContact O-N 3.09Å; A13-A15 PolarHBondContact O-N 2.98Å
14	V	65.1	Low	55.4	Low	125 Å²	125	135.1 Å²	135.1	76%	0.758	76%	0.761	S	S	*	*			trans	-71.8	98.7	165.4	-177.1	0	0	0	0	105.9	V12 P16	V12-V14 VanDerWaalsContact C-N 3.33Å; V12-V14 HydrophobicContact CG1-CG2 4.37Å; V12-V14 PolarHBondContact O-N 2.79Å; V14-P16 WeakPolarHBondContact O-CD 2.62Å
15	A	63.8	Low	55.1	Low	81 Å²	81	128.4 Å²	128.4	67%	0.669	74%	0.742	S	S	*	*			trans	-59.1	126.1	166.7	0	0	0	0	0	107.3	A13 A17	A13-A15 PolarHBondContact O-N 2.98Å; A15-A17 PolarHBondContact O-N 3.14Å
16	P	55.7	Low	54.3	Low	121 Å²	121	127.3 Å²	127.3	79%	0.786	73%	0.734	S	S	*	*			trans	-63.5	110.9	165.8	2.3	8.7	0	0	0	105.9	V14 A18	V14-P16 WeakPolarHBondContact O-CD 2.62Å; P16-A18 VanDerWaalsContact C-N 3.28Å; P16-A18 PolarHBondContact O-N 2.87Å
17	A	60.2	Low	54.2	Low	93 Å²	93	127 Å²	127	77%	0.769	72%	0.724	S	S	*	*			trans	-57.6	105.7	157.8	0	0	0	0	0	104.8	A15 A19	A15-A17 PolarHBondContact O-N 3.14Å; A17-A19 PolarHBondContact O-N 2.98Å
18	A	58.4	Low	54.9	Low	80 Å²	80	119.3 Å²	119.3	66%	0.661	68%	0.684	S	S	*	*			trans	-62.3	88.3	166.6	0	0	0	0	0	105.8	P16 H20	P16-A18 VanDerWaalsContact C-N 3.28Å; P16-A18 PolarHBondContact O-N 2.87Å; A18-H20 PolarHBondContact O-N 2.02Å; A18-H20 PolarHBondContact O-ND1 3.39Å
19	A	54.4	Low	56.3	Low	90 Å²	90	116.7 Å²	116.7	74%	0.744	67%	0.671	S	S	*	*			trans	-59.4	93.9	162.4	0	0	0	0	0	104.8	A17 S21	A17-A19 PolarHBondContact O-N 2.98Å; A19-S21 PolarHBondContact O-N 3.07Å
20	H	48	Very low	58	Low	177 Å²	177	113.8 Å²	113.8	82%	0.819	66%	0.655	S	S	*	*			trans	-64.1	83.3	158	-82	66.7	0	0	0	104.8	A18 S22	A18-H20 PolarHBondContact O-N 2.02Å; A18-H20 PolarHBondContact O-ND1 3.39Å; H20-S22 PolarHBondContact O-N 3.3Å
21	S	46.1	Very low	60	Low	86 Å²	86	105.9 Å²	105.9	60%	0.601	62%	0.621	S	S	*	*			trans	-61.5	88	156.9	-179.7	0	0	0	0	104.7	A19 H23	A19-S21 PolarHBondContact O-N 3.07Å; S21-H23 PolarHBondContact O-N 3.33Å; S21-H23 PolarHBondContact OG-CD2 3.05Å
22	S	45.4	Very low	61.8	Low	98 Å²	98	101.5 Å²	101.5	69%	0.685	59%	0.588	S	S	*	*			trans	-59.4	92.7	151.6	175.3	0	0	0	0	104	H20 R24	H20-S22 PolarHBondContact O-N 3.3Å; S22-R24 PolarHBondContact O-N 3.2Å
23	H	44.2	Very low	63.5	Low	150 Å²	150	97.4 Å²	97.4	69%	0.694	57%	0.567	S	S	*	*			trans	-58.1	91	163.9	-115.2	-97.1	0	0	0	104.7	S21 T25	S21-H23 PolarHBondContact O-N 3.33Å; S21-H23 PolarHBondContact OG-CD2 3.05Å; H23-T25 PolarHBondContact O-N 3.08Å; H23-T25 PolarHBondContact O-OG1 3.43Å
24	R	46.3	Very low	65.2	Low	232 Å²	232	93.7 Å²	93.7	88%	0.875	54%	0.538	S	S	*	.			trans	-60.5	81.1	167.9	-117.9	-179	176.9	170.7	-1.1	105.5	S22 K26	S22-R24 PolarHBondContact O-N 3.2Å; R24-K26 PolarHBondContact O-N 2.79Å
25	T	43.5	Very low	66.7	Low	60 Å²	60	87.8 Å²	87.8	37%	0.368	50%	0.503	S	S	.	.			trans	-70.2	120.6	177.8	14	0	0	0	0	103.8	H23 R27	H23-T25 PolarHBondContact O-N 3.08Å; H23-T25 PolarHBondContact O-OG1 3.43Å; T25-R27 VanDerWaalsContact O-CG 3.23Å; T25-R27 WeakPolarHBondContact O-CG 3.03Å; T25-R27 PolarHBondContact O-N 3.25Å; T25-R27 VanDerWaalsContact OG1-CZ 3.25Å; T25-R27 PolarHBondContact OG1-NE 2.03Å; T25-R27 PolarHBondContact OG1-NH2 2.03Å
26	K	41.9	Very low	68.4	Low	166 Å²	166	84.6 Å²	84.6	72%	0.722	47%	0.474	S	S	*	.			trans	-66.9	101.1	177.2	-61.7	177.7	-177.9	-177.7	0	106.1	R24 T89	R24-K26 PolarHBondContact O-N 2.79Å; K26-T89 HydrophobicContact CB-CG2 4.18Å; K26-T89 HydrophobicContact CG-CG2 4.38Å
27	R	58	Low	70.4	Confident	123 Å²	123	84.1 Å²	84.1	46%	0.464	46%	0.46	S	S	.	.			trans	-115.8	61.1	-163.3	-76.1	166.7	-167	-157.3	4.5	111.3	T25 L30 E31 T89 A90 N91	T25-R27 VanDerWaalsContact O-CG 3.23Å; T25-R27 WeakPolarHBondContact O-CG 3.03Å; T25-R27 PolarHBondContact O-N 3.25Å; T25-R27 VanDerWaalsContact OG1-CZ 3.25Å; T25-R27 PolarHBondContact OG1-NE 2.03Å; T25-R27 PolarHBondContact OG1-NH2 2.03Å; R27-L30 HydrophobicContact CG-CD1 4.02Å; R27-E31 VanDerWaalsContact O-CD 3.25Å; R27-T89 CarbonylContact C-O 3.33Å; R27-T89 PolarHBondContact N-O 3.44Å; R27-A90 CarbonylContact O-C 3.58Å; R27-N91 HydrophobicContact CB-CB 3.79Å; R27-N91 WeakPolarHBondContact O-CA 3.44Å; R27-N91 WeakPolarHBondContact O-CB 3.44Å; R27-N91 PolarHBondContact O-N 2.96Å
28	G	70.9	Confident	72.2	Confident	1 Å²	1	80.4 Å²	80.4	1%	0.01	43%	0.428	C	S	.	.	S	Bend	trans	-125.5	-39.8	162.7	0	0	0	0	0	111.5	L30 E31 L32 K88 A90	G28-L30 PolarHBondContact O-N 2.9Å; G28-E31 WeakPolarHBondContact CA-OE2 3.41Å; G28-E31 PolarHBondContact N-OE2 3.49Å; G28-E31 VanDerWaalsContact N-OE2 3.15Å; G28-E31 PolarHBondContact O-N 2.9Å; G28-L32 PolarHBondContact O-N 3.42Å; G28-K88 PolarHBondContact N-O 3.19Å; G28-A90 WeakPolarHBondContact CA-O 3.06Å
29	L	88.6	Confident	74.1	Confident	86 Å²	86	76.8 Å²	76.8	45%	0.45	40%	0.398	S	S	.	.	H	α-helix	trans	-65.3	-20.8	171.3	-64.9	175.5	0	0	0	113.6	A33 K88	L29-A33 VanDerWaalsContact O-CB 3.25Å; L29-A33 WeakPolarHBondContact O-CB 3.19Å; L29-A33 PolarHBondContact O-N 2.9Å; L29-K88 HydrophobicContact CG-CB 4.48Å
30	L	92.6	Very high	76.2	Confident	101 Å²	101	74 Å²	74	53%	0.529	37%	0.371	S	S	.	.	H	α-helix	trans	-75.6	-37.6	179.8	-65.4	-179.9	0	0	0	111.1	R27 G28 A33 G34	R27-L30 HydrophobicContact CG-CD1 4.02Å; G28-L30 PolarHBondContact O-N 2.9Å; L30-A33 PolarHBondContact O-N 3.49Å; L30-G34 PolarHBondContact O-N 3.08Å
31	E	95.7	Very high	78.5	Confident	22 Å²	22	67.6 Å²	67.6	10%	0.103	35%	0.354	C	S	.	.	H	α-helix	trans	-68.9	-48.4	178.9	-66	66.6	-162.2	0	0	109.5	R27 G28 A33 G34 A35 Y92	R27-E31 VanDerWaalsContact O-CD 3.25Å; G28-E31 WeakPolarHBondContact CA-OE2 3.41Å; G28-E31 PolarHBondContact N-OE2 3.49Å; G28-E31 VanDerWaalsContact N-OE2 3.15Å; G28-E31 PolarHBondContact O-N 2.9Å; E31-A33 VanDerWaalsContact C-N 3.31Å; E31-A33 PolarHBondContact O-N 3.43Å; E31-G34 WeakPolarHBondContact O-CA 2.99Å; E31-G34 PolarHBondContact O-N 2.89Å; E31-G34 VanDerWaalsContact O-N 3.12Å; E31-A35 PolarHBondContact O-N 3.44Å; E31-Y92 HydrophobicContact CB-CD1 4.38Å; E31-Y92 HydrophobicContact CB-CD2 4.48Å; E31-Y92 HydrophobicContact CB-CE1 3.69Å; E31-Y92 HydrophobicContact CB-CE2 3.8Å; E31-Y92 WeakPolarHBondContact CB-OH 2.99Å; E31-Y92 HydrophobicContact CG-CD1 4.36Å; E31-Y92 HydrophobicContact CG-CD2 4.42Å; E31-Y92 HydrophobicContact CG-CE1 4.16Å; E31-Y92 HydrophobicContact CG-CE2 4.21Å; E31-Y92 HydrophobicContact CG-CG 4.49Å
32	L	96.3	Very high	80.9	Confident	24 Å²	24	69 Å²	69	13%	0.126	35%	0.346	C	S	.	.	H	α-helix	trans	-53.8	-47.3	169	176.2	61.6	0	0	0	111.9	G28 G34 A35 I36 D118	G28-L32 PolarHBondContact O-N 3.42Å; L32-G34 VanDerWaalsContact C-N 3.28Å; L32-G34 PolarHBondContact O-N 2.96Å; L32-A35 PolarHBondContact O-N 3.4Å; L32-I36 HydrophobicContact CD1-CD1 3.85Å; L32-I36 HydrophobicContact CD1-CG1 4.11Å; L32-I36 HydrophobicContact CG-CD1 3.91Å; L32-I36 VanDerWaalsContact O-CG1 3.32Å; L32-I36 WeakPolarHBondContact O-CG1 3.3Å; L32-I36 PolarHBondContact O-N 3.06Å; L32-D118 HydrophobicContact CD1-CB 4Å; L32-D118 PolarHBondContact N-OD2 3.34Å
33	A	96.8	Very high	83.4	Confident	32 Å²	32	67.3 Å²	67.3	26%	0.264	33%	0.334	S	S	.	.	H	α-helix	trans	-62.2	-38.8	179.8	0	0	0	0	0	112.2	L29 L30 E31 K37 A44	L29-A33 VanDerWaalsContact O-CB 3.25Å; L29-A33 WeakPolarHBondContact O-CB 3.19Å; L29-A33 PolarHBondContact O-N 2.9Å; L30-A33 PolarHBondContact O-N 3.49Å; E31-A33 VanDerWaalsContact C-N 3.31Å; E31-A33 PolarHBondContact O-N 3.43Å; A33-K37 WeakPolarHBondContact O-CB 3.3Å; A33-K37 PolarHBondContact O-N 2.88Å; A33-A44 HydrophobicContact CB-CB 3.57Å
34	G	97.1	Very high	85.8	Confident	19 Å²	19	61 Å²	61	20%	0.196	31%	0.308	C	S	.	.	H	α-helix	trans	-63.6	-48.3	173.6	0	0	0	0	0	112.4	L30 E31 L32 I36 K37 C38 W94	L30-G34 PolarHBondContact O-N 3.08Å; E31-G34 WeakPolarHBondContact O-CA 2.99Å; E31-G34 PolarHBondContact O-N 2.89Å; E31-G34 VanDerWaalsContact O-N 3.12Å; L32-G34 VanDerWaalsContact C-N 3.28Å; L32-G34 PolarHBondContact O-N 2.96Å; G34-I36 PolarHBondContact O-N 3.46Å; G34-K37 PolarHBondContact O-N 3.4Å; G34-C38 WeakPolarHBondContact O-CB 3.14Å; G34-C38 PolarHBondContact O-N 2.51Å; G34-W94 WeakPolarHBondContact O-CH2 3.33Å
35	A	97.8	Very high	88.1	Confident	2 Å²	2	55.6 Å²	55.6	2%	0.017	30%	0.296	C	S	.	.	H	α-helix	trans	-60.3	-44.7	178.2	0	0	0	0	0	111.8	E31 L32 C38 S39 A101 A122	E31-A35 PolarHBondContact O-N 3.44Å; L32-A35 PolarHBondContact O-N 3.4Å; A35-C38 WeakPolarHBondContact O-CB 2.94Å; A35-C38 PolarHBondContact O-N 3.24Å; A35-S39 WeakPolarHBondContact O-CB 3.39Å; A35-S39 PolarHBondContact O-N 3.23Å; A35-S39 PolarHBondContact O-OG 3Å; A35-S39 VanDerWaalsContact O-OG 3.08Å; A35-A101 HydrophobicContact CB-CB 3.75Å; A35-A122 HydrophobicContact CB-CB 3.94Å; A35-A122 WeakPolarHBondContact O-CB 3.27Å
36	I	98.1	Very high	90.5	Very high	13 Å²	13	54.3 Å²	54.3	7%	0.067	29%	0.291	C	S	.	.	H	α-helix	trans	-60.7	-46.4	174.4	-68.7	171.2	0	0	0	110.6	L32 G34 S39 T40 A44 Y47 L125	L32-I36 HydrophobicContact CD1-CD1 3.85Å; L32-I36 HydrophobicContact CD1-CG1 4.11Å; L32-I36 HydrophobicContact CG-CD1 3.91Å; L32-I36 VanDerWaalsContact O-CG1 3.32Å; L32-I36 WeakPolarHBondContact O-CG1 3.3Å; L32-I36 PolarHBondContact O-N 3.06Å; G34-I36 PolarHBondContact O-N 3.46Å; I36-S39 PolarHBondContact O-N 3.44Å; I36-T40 HydrophobicContact CG2-CG2 4.32Å; I36-T40 WeakPolarHBondContact O-CB 3.49Å; I36-T40 WeakPolarHBondContact O-CG2 3.26Å; I36-T40 PolarHBondContact O-N 2.03Å; I36-T40 PolarHBondContact O-OG1 3.07Å; I36-A44 HydrophobicContact CB-CB 4.23Å; I36-A44 HydrophobicContact CD1-CB 4.27Å; I36-A44 HydrophobicContact CG2-CB 4.19Å; I36-Y47 HydrophobicContact CG2-CD2 3.72Å; I36-Y47 HydrophobicContact CG2-CE2 3.86Å; I36-L125 HydrophobicContact CD1-CD1 4.09Å; I36-L125 HydrophobicContact CG1-CD1 3.99Å
37	K	98.3	Very high	93.1	Very high	112 Å²	112	46.9 Å²	46.9	49%	0.487	26%	0.258	S	S	.	.	H	α-helix	trans	-63.2	-43.5	179.4	178.5	60.8	179.9	-180	0	111.9	A33 G34 G41 R42	A33-K37 WeakPolarHBondContact O-CB 3.3Å; A33-K37 PolarHBondContact O-N 2.88Å; G34-K37 PolarHBondContact O-N 3.4Å; K37-G41 PolarHBondContact NZ-O 2.92Å; K37-G41 WeakPolarHBondContact O-CA 3.36Å; K37-G41 PolarHBondContact O-N 2.92Å; K37-R42 WeakPolarHBondContact CA-O 3.28Å; K37-R42 WeakPolarHBondContact CD-O 3.2Å
38	C	98.3	Very high	94.7	Very high	14 Å²	14	46.5 Å²	46.5	10%	0.095	26%	0.263	C	S	.	.	H	α-helix	trans	-57.3	-53.6	175.2	173.7	0	0	0	0	111	G34 A35 W94 C96 R99	G34-C38 WeakPolarHBondContact O-CB 3.14Å; G34-C38 PolarHBondContact O-N 2.51Å; A35-C38 WeakPolarHBondContact O-CB 2.94Å; A35-C38 PolarHBondContact O-N 3.24Å; C38-W94 HydrophobicContact CB-CH2 4.38Å; C38-W94 HydrophobicContact CB-CZ3 4.1Å; C38-C96 HydrophobicContact CB-CB 3.84Å; C38-C96 WeakPolarHBondContact CB-SG 3.45Å; C38-C96 VanDerWaalsContact SG-CA 3.59Å; C38-C96 WeakPolarHBondContact SG-CB 3.2Å; C38-C96 CovalentContact SG-SG 2.03Å; C38-C96 PolarHBondContact SG-SG 2.52Å; C38-R99 WeakPolarHBondContact O-CB 3.44Å
39	S	98.3	Very high	95.7	Very high	5 Å²	5	51.4 Å²	51.4	4%	0.035	29%	0.287	C	S	.	.	H	α-helix	trans	-76.8	-37.8	-170.3	-58.2	0	0	0	0	113.5	A35 I36 R99 A122 R126	A35-S39 WeakPolarHBondContact O-CB 3.39Å; A35-S39 PolarHBondContact O-N 3.23Å; A35-S39 PolarHBondContact O-OG 3Å; A35-S39 VanDerWaalsContact O-OG 3.08Å; I36-S39 PolarHBondContact O-N 3.44Å; S39-R99 WeakPolarHBondContact CA-O 3.37Å; S39-A122 WeakPolarHBondContact CB-O 3.5Å; S39-A122 WeakPolarHBondContact OG-CB 3.44Å; S39-R126 WeakPolarHBondContact O-CD 3.48Å; S39-R126 WeakPolarHBondContact O-CG 3.44Å
40	T	97.6	Very high	96.1	Very high	30 Å²	30	47.3 Å²	47.3	18%	0.184	27%	0.266	C	S	.	.	H	α-helix	trans	-101.8	-17.4	-172.8	72.3	0	0	0	0	113.5	I36 R42 Y47 L125	I36-T40 HydrophobicContact CG2-CG2 4.32Å; I36-T40 WeakPolarHBondContact O-CB 3.49Å; I36-T40 WeakPolarHBondContact O-CG2 3.26Å; I36-T40 PolarHBondContact O-N 2.03Å; I36-T40 PolarHBondContact O-OG1 3.07Å; T40-R42 PolarHBondContact O-N 3.3Å; T40-R42 VanDerWaalsContact O-N 3.16Å; T40-R42 WeakPolarHBondContact OG1-CB 3.37Å; T40-R42 PolarHBondContact OG1-N 2.97Å; T40-Y47 HydrophobicContact CG2-CE2 4.37Å; T40-L125 HydrophobicContact CG2-CB 3.83Å
41	G	97.7	Very high	96.3	Very high	44 Å²	44	42.7 Å²	42.7	45%	0.454	24%	0.243	S	C	.	.	S	Bend	trans	70.5	-6.9	-168	0	0	0	0	0	114.4	K37	K37-G41 PolarHBondContact NZ-O 2.92Å; K37-G41 WeakPolarHBondContact O-CA 3.36Å; K37-G41 PolarHBondContact O-N 2.92Å
42	R	96.4	Very high	96.4	Very high	116 Å²	116	42.1 Å²	42.1	44%	0.438	24%	0.241	S	C	.	.	S	Bend	trans	-90.2	152.9	-178.8	-63.6	-179.8	173.7	-81.2	-3.6	111.1	K37 T40 A44 Y47	K37-R42 WeakPolarHBondContact CA-O 3.28Å; K37-R42 WeakPolarHBondContact CD-O 3.2Å; T40-R42 PolarHBondContact O-N 3.3Å; T40-R42 VanDerWaalsContact O-N 3.16Å; T40-R42 WeakPolarHBondContact OG1-CB 3.37Å; T40-R42 PolarHBondContact OG1-N 2.97Å; R42-A44 PolarHBondContact O-N 3.4Å; R42-Y47 HydrophobicContact CB-CE2 4.19Å
43	S	96.4	Very high	96.5	Very high	61 Å²	61	41.5 Å²	41.5	43%	0.427	24%	0.237	S	C	.	.			trans	-62.4	136.6	168	-179.6	0	0	0	0	109.2	L45 A46	S43-L45 PolarHBondContact O-N 3.07Å; S43-L45 VanDerWaalsContact O-N 3.16Å; S43-L45 WeakPolarHBondContact OG-CB 3.2Å; S43-L45 PolarHBondContact OG-N 3.39Å; S43-A46 VanDerWaalsContact O-CB 3.22Å; S43-A46 WeakPolarHBondContact O-CB 3.49Å; S43-A46 PolarHBondContact O-N 3.47Å
44	A	95.7	Very high	96.5	Very high	18 Å²	18	40.4 Å²	40.4	15%	0.149	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-58.7	-24.7	172.8	0	0	0	0	0	112.5	A33 I36 R42 A46 Y47 M48	A33-A44 HydrophobicContact CB-CB 3.57Å; I36-A44 HydrophobicContact CB-CB 4.23Å; I36-A44 HydrophobicContact CD1-CB 4.27Å; I36-A44 HydrophobicContact CG2-CB 4.19Å; R42-A44 PolarHBondContact O-N 3.4Å; A44-A46 PolarHBondContact O-N 3.29Å; A44-A46 VanDerWaalsContact O-N 3.16Å; A44-Y47 PolarHBondContact O-N 3.01Å; A44-M48 PolarHBondContact O-N 2.56Å
45	L	94.1	Very high	96.2	Very high	119 Å²	119	41.3 Å²	41.3	62%	0.623	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-57.1	-28.1	172.1	-60.8	-177.8	0	0	0	112.9	S43 Y47 M48	S43-L45 PolarHBondContact O-N 3.07Å; S43-L45 VanDerWaalsContact O-N 3.16Å; S43-L45 WeakPolarHBondContact OG-CB 3.2Å; S43-L45 PolarHBondContact OG-N 3.39Å; L45-Y47 PolarHBondContact O-N 3.13Å; L45-M48 HydrophobicContact CD2-CE 3.41Å; L45-M48 VanDerWaalsContact CD2-CE 3.41Å; L45-M48 HydrophobicContact CD2-SD 3.98Å; L45-M48 PolarHBondContact O-N 3.26Å
46	A	94.6	Very high	95.6	Very high	33 Å²	33	48.2 Å²	48.2	27%	0.273	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-64.9	-23.1	176.7	0	0	0	0	0	112.8	S43 A44 F130	S43-A46 VanDerWaalsContact O-CB 3.22Å; S43-A46 WeakPolarHBondContact O-CB 3.49Å; S43-A46 PolarHBondContact O-N 3.47Å; A44-A46 PolarHBondContact O-N 3.29Å; A44-A46 VanDerWaalsContact O-N 3.16Å; A46-F130 HydrophobicContact CB-CE2 4.08Å; A46-F130 HydrophobicContact CB-CZ 4.19Å; A46-F130 WeakPolarHBondContact O-CE2 3.31Å
47	Y	95.8	Very high	94.6	Very high	10 Å²	10	50.1 Å²	50.1	4%	0.039	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-106.9	-1.1	178.8	-60.5	-79.5	0	0	0	112.8	I36 T40 R42 A44 L45 M49 C54 A66 L125 F130	I36-Y47 HydrophobicContact CG2-CD2 3.72Å; I36-Y47 HydrophobicContact CG2-CE2 3.86Å; T40-Y47 HydrophobicContact CG2-CE2 4.37Å; R42-Y47 HydrophobicContact CB-CE2 4.19Å; A44-Y47 PolarHBondContact O-N 3.01Å; L45-Y47 PolarHBondContact O-N 3.13Å; Y47-M49 PolarHBondContact O-N 2.85Å; Y47-C54 CarbonylContact O-C 3.26Å; Y47-C54 VanDerWaalsContact O-C 3.26Å; Y47-C54 WeakPolarHBondContact O-CB 3.02Å; Y47-A66 HydrophobicContact CE1-CB 4.46Å; Y47-L125 HydrophobicContact CD1-CD2 4.01Å; Y47-L125 HydrophobicContact CE1-CD2 3.82Å; Y47-L125 HydrophobicContact CG-CD1 4.45Å; Y47-F130 HydrophobicContact CD1-CD2 4.26Å; Y47-F130 HydrophobicContact CD1-CE2 4.28Å; Y47-F130 AromaticContact CE1-CD2 3.58Å; Y47-F130 HydrophobicContact CE1-CD2 3.58Å; Y47-F130 HydrophobicContact CE1-CE2 4.04Å; Y47-F130 AromaticContact CZ-CD2 3.85Å
48	M	91.1	Very high	94	Very high	114 Å²	114	46.7 Å²	46.7	56%	0.562	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.8	-176.2	-176.9	174.4	-75.1	0	0	113.5	A44 L45 C54 G55	A44-M48 PolarHBondContact O-N 2.56Å; L45-M48 HydrophobicContact CD2-CE 3.41Å; L45-M48 VanDerWaalsContact CD2-CE 3.41Å; L45-M48 HydrophobicContact CD2-SD 3.98Å; L45-M48 PolarHBondContact O-N 3.26Å; M48-C54 CarbonylContact C-O 2.98Å; M48-G55 WeakPolarHBondContact O-CA 3.39Å
49	M	91.6	Very high	93.5	Very high	104 Å²	104	49.7 Å²	49.7	51%	0.512	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.4	71.8	175.3	-69.1	-168.6	71.7	0	0	107.2	Y47 C54 L136	Y47-M49 PolarHBondContact O-N 2.85Å; M49-C54 WeakPolarHBondContact CA-O 3.43Å; M49-C54 PolarHBondContact N-O 3.27Å; M49-L136 HydrophobicContact CB-CD2 3.8Å; M49-L136 HydrophobicContact CE-CD2 4.45Å; M49-L136 HydrophobicContact CG-CD2 4.33Å; M49-L136 WeakPolarHBondContact O-CA 3.32Å; M49-L136 PolarHBondContact O-N 2.71Å; M49-L136 HydrophobicContact SD-CD2 3.78Å
50	Y	97.3	Very high	93.4	Very high	1 Å²	1	49.4 Å²	49.4	0%	0.004	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-127.7	129.1	-178.5	-178.2	-74.7	0	0	0	110.6	C52 C54 D64 A66 F130 I131 Y134 A135	Y50-C52 PolarHBondContact O-N 3.1Å; Y50-C54 PolarHBondContact N-O 3.26Å; Y50-C54 WeakPolarHBondContact O-CB 3.04Å; Y50-C54 PolarHBondContact O-N 3.07Å; Y50-D64 WeakPolarHBondContact CE1-OD1 3.36Å; Y50-D64 PolarHBondContact OH-OD2 2.96Å; Y50-A66 HydrophobicContact CD1-CB 4.45Å; Y50-A66 HydrophobicContact CE1-CB 3.78Å; Y50-F130 HydrophobicContact CD2-CD2 4.11Å; Y50-F130 AromaticContact CD2-CE2 3.48Å; Y50-F130 HydrophobicContact CD2-CE2 3.48Å; Y50-F130 VanDerWaalsContact CD2-CE2 3.48Å; Y50-F130 HydrophobicContact CD2-CZ 4.01Å; Y50-F130 AromaticContact CE2-CD2 3.73Å; Y50-F130 HydrophobicContact CE2-CD2 3.73Å; Y50-F130 AromaticContact CE2-CE2 3.51Å; Y50-F130 HydrophobicContact CE2-CE2 3.51Å; Y50-F130 HydrophobicContact CE2-CG 4.41Å; Y50-F130 HydrophobicContact CE2-CZ 4.02Å; Y50-I131 VanDerWaalsContact CE2-O 3.29Å; Y50-I131 WeakPolarHBondContact CE2-O 3.43Å; Y50-I131 WeakPolarHBondContact OH-CA 3.39Å; Y50-I131 WeakPolarHBondContact OH-CB 3.43Å; Y50-I131 PolarHBondContact OH-N 2.87Å; Y50-I131 PolarHBondContact OH-O 2.63Å; Y50-Y134 CarbonylContact C-O 2.93Å; Y50-Y134 VanDerWaalsContact CA-O 3.32Å; Y50-Y134 WeakPolarHBondContact CA-O 3.29Å; Y50-A135 HydrophobicContact CD2-CB 4.38Å
51	G	97.9	Very high	93.3	Very high	4 Å²	4	54.2 Å²	54.2	4%	0.041	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	-135	-177.7	0	0	0	0	0	111.5	Y134 W137	G51-Y134 PolarHBondContact N-O 3.37Å; G51-W137 WeakPolarHBondContact O-CB 3.3Å
52	C	97.9	Very high	93.3	Very high	9 Å²	9	52.4 Å²	52.4	6%	0.061	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-13	-173.7	-68.9	0	0	0	0	113.9	Y50 G58 E59 R63 D67 C142	Y50-C52 PolarHBondContact O-N 3.1Å; C52-G58 VanDerWaalsContact O-CA 3.27Å; C52-G58 WeakPolarHBondContact O-CA 3.27Å; C52-E59 WeakPolarHBondContact CB-O 3.37Å; C52-E59 PolarHBondContact O-N 3.27Å; C52-R63 PolarHBondContact SG-NE 3.29Å; C52-D67 PolarHBondContact N-OD1 3.47Å; C52-D67 PolarHBondContact N-OD2 3.01Å; C52-C142 WeakPolarHBondContact CA-SG 3.38Å; C52-C142 HydrophobicContact CB-CB 3.74Å; C52-C142 WeakPolarHBondContact CB-SG 3.36Å; C52-C142 WeakPolarHBondContact SG-CA 3.41Å; C52-C142 WeakPolarHBondContact SG-CB 3.01Å; C52-C142 CovalentContact SG-SG 2.03Å; C52-C142 PolarHBondContact SG-SG 2.72Å
53	Y	97.6	Very high	93.4	Very high	12 Å²	12	50 Å²	50	5%	0.047	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-23.8	-175.8	-75.1	-87.5	0	0	0	113.6	G55 G60 P62 D67 H71 D74 P147	Y53-G55 PolarHBondContact O-N 3.08Å; Y53-G60 VanDerWaalsContact CE2-O 3.31Å; Y53-G60 WeakPolarHBondContact CE2-O 3.31Å; Y53-G60 PolarHBondContact OH-O 3.44Å; Y53-P62 HydrophobicContact CD2-CB 4.29Å; Y53-P62 HydrophobicContact CD2-CG 3.77Å; Y53-P62 HydrophobicContact CE2-CG 3.62Å; Y53-D67 WeakPolarHBondContact CB-OD1 3.09Å; Y53-D67 PolarHBondContact N-OD1 3.26Å; Y53-H71 HydrophobicContact CD1-CB 3.84Å; Y53-H71 AromaticContact CD1-CD2 3.78Å; Y53-H71 HydrophobicContact CD2-CB 4.03Å; Y53-H71 HydrophobicContact CE1-CB 4.19Å; Y53-H71 AromaticContact CE1-CD2 3.3Å; Y53-H71 WeakPolarHBondContact CE1-CD2 3.09Å; Y53-H71 HydrophobicContact CE2-CB 4.35Å; Y53-H71 HydrophobicContact CG-CB 3.74Å; Y53-H71 AromaticContact CZ-CD2 3.55Å; Y53-D74 WeakPolarHBondContact CD1-OD2 3.03Å; Y53-P147 WeakPolarHBondContact OH-CD 3.3Å
54	C	96.6	Very high	93.5	Very high	9 Å²	9	47.9 Å²	47.9	6%	0.061	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-76.8	94.6	177.3	-47.5	0	0	0	0	110	Y47 M48 M49 Y50 C70	Y47-C54 CarbonylContact O-C 3.26Å; Y47-C54 VanDerWaalsContact O-C 3.26Å; Y47-C54 WeakPolarHBondContact O-CB 3.02Å; M48-C54 CarbonylContact C-O 2.98Å; M49-C54 WeakPolarHBondContact CA-O 3.43Å; M49-C54 PolarHBondContact N-O 3.27Å; Y50-C54 PolarHBondContact N-O 3.26Å; Y50-C54 WeakPolarHBondContact O-CB 3.04Å; Y50-C54 PolarHBondContact O-N 3.07Å; C54-C70 WeakPolarHBondContact CA-SG 3.26Å; C54-C70 HydrophobicContact CB-CB 3.74Å; C54-C70 WeakPolarHBondContact CB-SG 3.32Å; C54-C70 WeakPolarHBondContact SG-CB 3.32Å; C54-C70 CovalentContact SG-SG 2.02Å; C54-C70 PolarHBondContact SG-SG 2.84Å
55	G	90.4	Very high	93.6	Very high	38 Å²	38	55.8 Å²	55.8	39%	0.392	30%	0.298	S	S	.	.	S	Bend	trans	159	-152.7	-179	0	0	0	0	0	113.2	M48 Y53	M48-G55 WeakPolarHBondContact O-CA 3.39Å; Y53-G55 PolarHBondContact O-N 3.08Å
56	L	85.3	Confident	93.8	Very high	146 Å²	146	50.1 Å²	50.1	76%	0.764	27%	0.269	S	S	*	.	S	Bend	trans	-89.6	116.8	173.4	-74.1	173.9	0	0	0	109.9
57	G	78.8	Confident	94	Very high	53 Å²	53	48.6 Å²	48.6	55%	0.546	26%	0.256	S	S	.	.	S	Bend	trans	90.2	-153.5	-178.4	0	0	0	0	0	110.8
58	G	84.4	Confident	94.1	Very high	40 Å²	40	51.4 Å²	51.4	41%	0.412	27%	0.266	S	S	.	.			trans	160.9	131	176.5	0	0	0	0	0	111	C52	C52-G58 VanDerWaalsContact O-CA 3.27Å; C52-G58 WeakPolarHBondContact O-CA 3.27Å
59	E	89.2	Confident	94.5	Very high	77 Å²	77	46.1 Å²	46.1	36%	0.36	24%	0.24	S	C	.	.			trans	-144	162.3	178.7	67.6	176.7	177.3	0	0	111.9	C52 C142	C52-E59 WeakPolarHBondContact CB-O 3.37Å; C52-E59 PolarHBondContact O-N 3.27Å; E59-C142 HydrophobicContact CG-CB 4.18Å; E59-C142 VanDerWaalsContact O-CB 3.29Å; E59-C142 WeakPolarHBondContact O-CB 2.95Å
60	G	94.7	Very high	94.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	67.6	-155.8	177.3	0	0	0	0	0	114.5	Y53 C142 G143 D145 H146 P147	Y53-G60 VanDerWaalsContact CE2-O 3.31Å; Y53-G60 WeakPolarHBondContact CE2-O 3.31Å; Y53-G60 PolarHBondContact OH-O 3.44Å; G60-C142 VanDerWaalsContact CA-O 3.3Å; G60-C142 WeakPolarHBondContact CA-O 2.95Å; G60-G143 VanDerWaalsContact CA-O 3.22Å; G60-G143 WeakPolarHBondContact CA-O 3.08Å; G60-G143 PolarHBondContact N-O 2.97Å; G60-D145 CarbonylContact C-O 3.59Å; G60-D145 WeakPolarHBondContact CA-O 3.22Å; G60-H146 PolarHBondContact N-CD2 3.5Å; G60-H146 PolarHBondContact N-NE2 2.92Å; G60-P147 WeakPolarHBondContact O-CD 3.29Å
61	W	96.3	Very high	94.8	Very high	130 Å²	130	42 Å²	42	49%	0.492	22%	0.221	S	C	.	.			trans	-98.1	134.2	-173	-159.6	-95.3	0	0	0	112.2	R63 W68 C142 D145 P147	W61-R63 VanDerWaalsContact O-CZ 3.29Å; W61-R63 PolarHBondContact O-N 3.15Å; W61-R63 PolarHBondContact O-NE 3.48Å; W61-R63 PolarHBondContact O-NH2 3.18Å; W61-W68 AromaticContact CE2-CZ2 3.76Å; W61-W68 HydrophobicContact CH2-CH2 4.34Å; W61-W68 AromaticContact CZ2-CH2 3.89Å; W61-W68 HydrophobicContact CZ2-CH2 3.89Å; W61-W68 AromaticContact CZ2-CZ2 3.79Å; W61-W68 HydrophobicContact CZ2-CZ2 3.79Å; W61-W68 AromaticContact NE1-CZ2 3.69Å; W61-C142 PolarHBondContact N-O 2.04Å; W61-D145 PolarHBondContact N-O 3.07Å; W61-P147 HydrophobicContact CE3-CB 4.43Å; W61-P147 HydrophobicContact CE3-CG 4.43Å; W61-P147 HydrophobicContact CH2-CB 4.21Å; W61-P147 HydrophobicContact CZ3-CB 3.97Å; W61-P147 HydrophobicContact CZ3-CG 4.45Å
62	P	97.7	Very high	94.8	Very high	6 Å²	6	45.7 Å²	45.7	4%	0.039	24%	0.236	C	C	.	.			trans	-58.6	134.8	178.5	-25.3	34.4	0	0	0	112.8	Y53 D67 W68 H71 P147	Y53-P62 HydrophobicContact CD2-CB 4.29Å; Y53-P62 HydrophobicContact CD2-CG 3.77Å; Y53-P62 HydrophobicContact CE2-CG 3.62Å; P62-D67 VanDerWaalsContact CA-OD2 3.27Å; P62-D67 WeakPolarHBondContact CA-OD2 3.37Å; P62-D67 HydrophobicContact CB-CB 4.06Å; P62-W68 HydrophobicContact CB-CD2 3.67Å; P62-W68 HydrophobicContact CB-CE3 4.18Å; P62-W68 HydrophobicContact CB-CG 3.82Å; P62-W68 HydrophobicContact CB-CZ2 4.27Å; P62-W68 HydrophobicContact CG-CD2 3.67Å; P62-W68 HydrophobicContact CG-CE3 3.65Å; P62-W68 HydrophobicContact CG-CG 4.3Å; P62-W68 HydrophobicContact CG-CH2 3.95Å; P62-W68 HydrophobicContact CG-CZ2 3.95Å; P62-W68 HydrophobicContact CG-CZ3 3.77Å; P62-H71 HydrophobicContact CG-CB 4.15Å; P62-P147 HydrophobicContact CG-CG 3.99Å
63	R	97.8	Very high	94.8	Very high	66 Å²	66	46.1 Å²	46.1	25%	0.249	24%	0.237	C	C	.	.			trans	-75.9	-34.7	-172.6	-64.6	-60	104.3	152.5	10.6	113.7	C52 W61 D67 Y134 L141 C142	C52-R63 PolarHBondContact SG-NE 3.29Å; W61-R63 VanDerWaalsContact O-CZ 3.29Å; W61-R63 PolarHBondContact O-N 3.15Å; W61-R63 PolarHBondContact O-NE 3.48Å; W61-R63 PolarHBondContact O-NH2 3.18Å; R63-D67 HydrophobicContact CB-CB 4.47Å; R63-D67 PolarHBondContact N-OD2 2.95Å; R63-Y134 HydrophobicContact CB-CD1 3.77Å; R63-Y134 HydrophobicContact CB-CD2 4.22Å; R63-Y134 HydrophobicContact CB-CE1 3.73Å; R63-Y134 HydrophobicContact CB-CE2 4.22Å; R63-Y134 HydrophobicContact CB-CG 4.03Å; R63-Y134 HydrophobicContact CG-CD1 3.98Å; R63-Y134 HydrophobicContact CG-CE1 4.08Å; R63-L141 PolarHBondContact NH1-O 3.06Å; R63-C142 PolarHBondContact NH2-O 2.69Å
64	D	98.4	Very high	94.7	Very high	17 Å²	17	47.8 Å²	47.8	9%	0.091	25%	0.247	C	C	.	.	S	Bend	trans	-157.7	-172.7	-178.4	73.3	4.5	0	0	0	112	Y50 A66 D67 W68 I131 Y134	Y50-D64 WeakPolarHBondContact CE1-OD1 3.36Å; Y50-D64 PolarHBondContact OH-OD2 2.96Å; D64-A66 VanDerWaalsContact C-N 3.3Å; D64-A66 PolarHBondContact O-N 2.93Å; D64-A66 WeakPolarHBondContact OD1-CA 3.5Å; D64-A66 WeakPolarHBondContact OD1-CB 3.28Å; D64-A66 PolarHBondContact OD1-N 3.4Å; D64-D67 PolarHBondContact O-N 3.2Å; D64-D67 PolarHBondContact OD1-N 2.88Å; D64-W68 PolarHBondContact O-N 3.16Å; D64-I131 HydrophobicContact CB-CD1 4.13Å; D64-I131 WeakPolarHBondContact OD2-CD1 3.23Å; D64-Y134 HydrophobicContact CB-CD2 4.15Å; D64-Y134 HydrophobicContact CB-CE2 3.91Å; D64-Y134 WeakPolarHBondContact OD2-CD2 3.33Å
65	R	98.4	Very high	94.8	Very high	184 Å²	184	47.9 Å²	47.9	69%	0.694	25%	0.247	S	C	*	.	H	α-helix	trans	-63.2	-32.8	-179.2	-67.7	-174.7	-176.8	178.8	1.3	113.5	C69 A128	R65-C69 PolarHBondContact O-N 2.91Å; R65-C69 PolarHBondContact O-SG 3.42Å; R65-A128 HydrophobicContact CB-CB 4.02Å
66	A	98.4	Very high	95.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-71.1	-40.9	178.2	0	0	0	0	0	109.8	Y47 Y50 D64 W68 C69 C70 L125 A128	Y47-A66 HydrophobicContact CE1-CB 4.46Å; Y50-A66 HydrophobicContact CD1-CB 4.45Å; Y50-A66 HydrophobicContact CE1-CB 3.78Å; D64-A66 VanDerWaalsContact C-N 3.3Å; D64-A66 PolarHBondContact O-N 2.93Å; D64-A66 WeakPolarHBondContact OD1-CA 3.5Å; D64-A66 WeakPolarHBondContact OD1-CB 3.28Å; D64-A66 PolarHBondContact OD1-N 3.4Å; A66-W68 VanDerWaalsContact C-N 3.32Å; A66-W68 PolarHBondContact O-N 2.81Å; A66-C69 WeakPolarHBondContact O-CA 3.38Å; A66-C69 WeakPolarHBondContact O-CB 3.33Å; A66-C69 PolarHBondContact O-N 2.93Å; A66-C70 PolarHBondContact O-N 3.38Å; A66-C70 PolarHBondContact O-SG 3.26Å; A66-L125 HydrophobicContact CB-CD2 3.97Å; A66-A128 HydrophobicContact CB-CB 3.83Å
67	D	98.4	Very high	95.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.9	-36.9	175.7	-153.8	20.3	0	0	0	112.2	C52 Y53 P62 R63 D64 C69 C70 H71	C52-D67 PolarHBondContact N-OD1 3.47Å; C52-D67 PolarHBondContact N-OD2 3.01Å; Y53-D67 WeakPolarHBondContact CB-OD1 3.09Å; Y53-D67 PolarHBondContact N-OD1 3.26Å; P62-D67 VanDerWaalsContact CA-OD2 3.27Å; P62-D67 WeakPolarHBondContact CA-OD2 3.37Å; P62-D67 HydrophobicContact CB-CB 4.06Å; R63-D67 HydrophobicContact CB-CB 4.47Å; R63-D67 PolarHBondContact N-OD2 2.95Å; D64-D67 PolarHBondContact O-N 3.2Å; D64-D67 PolarHBondContact OD1-N 2.88Å; D67-C69 VanDerWaalsContact C-N 3.27Å; D67-C69 PolarHBondContact O-N 2.98Å; D67-C70 WeakPolarHBondContact O-CB 3.26Å; D67-C70 PolarHBondContact O-N 3.46Å; D67-C70 VanDerWaalsContact O-N 3.1Å; D67-H71 PolarHBondContact O-N 3.28Å
68	W	98.3	Very high	96.4	Very high	70 Å²	70	39.8 Å²	39.8	27%	0.265	19%	0.189	S	C	.	.	H	α-helix	trans	-63.6	-28.2	170.7	-81.5	110.7	0	0	0	113.8	W61 P62 D64 A66 C70 H71 K72 P147 I151 Y152	W61-W68 AromaticContact CE2-CZ2 3.76Å; W61-W68 HydrophobicContact CH2-CH2 4.34Å; W61-W68 AromaticContact CZ2-CH2 3.89Å; W61-W68 HydrophobicContact CZ2-CH2 3.89Å; W61-W68 AromaticContact CZ2-CZ2 3.79Å; W61-W68 HydrophobicContact CZ2-CZ2 3.79Å; W61-W68 AromaticContact NE1-CZ2 3.69Å; P62-W68 HydrophobicContact CB-CD2 3.67Å; P62-W68 HydrophobicContact CB-CE3 4.18Å; P62-W68 HydrophobicContact CB-CG 3.82Å; P62-W68 HydrophobicContact CB-CZ2 4.27Å; P62-W68 HydrophobicContact CG-CD2 3.67Å; P62-W68 HydrophobicContact CG-CE3 3.65Å; P62-W68 HydrophobicContact CG-CG 4.3Å; P62-W68 HydrophobicContact CG-CH2 3.95Å; P62-W68 HydrophobicContact CG-CZ2 3.95Å; P62-W68 HydrophobicContact CG-CZ3 3.77Å; D64-W68 PolarHBondContact O-N 3.16Å; A66-W68 VanDerWaalsContact C-N 3.32Å; A66-W68 PolarHBondContact O-N 2.81Å; W68-C70 VanDerWaalsContact C-N 3.34Å; W68-H71 AromaticContact CE3-ND1 3.88Å; W68-H71 AromaticContact CZ3-ND1 3.7Å; W68-K72 PolarHBondContact O-N 3.43Å; W68-K72 VanDerWaalsContact O-N 3.16Å; W68-P147 HydrophobicContact CH2-CB 3.57Å; W68-P147 HydrophobicContact CH2-CG 3.72Å; W68-P147 HydrophobicContact CZ3-CB 3.65Å; W68-P147 HydrophobicContact CZ3-CG 3.65Å; W68-I151 HydrophobicContact CE3-CD1 4.21Å; W68-I151 HydrophobicContact CH2-CD1 4.02Å; W68-I151 HydrophobicContact CZ3-CD1 3.38Å; W68-Y152 PolarHBondContact O-OH 3.19Å
69	C	98.4	Very high	96.9	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.014	19%	0.187	C	C	.	.	H	α-helix	trans	-67.6	-38.8	171.9	-58.9	0	0	0	0	110.9	R65 A66 D67 K72 H73 C124 L125	R65-C69 PolarHBondContact O-N 2.91Å; R65-C69 PolarHBondContact O-SG 3.42Å; A66-C69 WeakPolarHBondContact O-CA 3.38Å; A66-C69 WeakPolarHBondContact O-CB 3.33Å; A66-C69 PolarHBondContact O-N 2.93Å; D67-C69 VanDerWaalsContact C-N 3.27Å; D67-C69 PolarHBondContact O-N 2.98Å; C69-K72 WeakPolarHBondContact O-CB 3.06Å; C69-K72 PolarHBondContact O-N 3.18Å; C69-H73 WeakPolarHBondContact O-CB 3.5Å; C69-H73 PolarHBondContact O-N 2.93Å; C69-C124 VanDerWaalsContact CA-SG 3.53Å; C69-C124 HydrophobicContact CB-CB 3.63Å; C69-C124 WeakPolarHBondContact CB-SG 3.03Å; C69-C124 WeakPolarHBondContact SG-CB 3.47Å; C69-C124 CovalentContact SG-SG 2.03Å; C69-C124 PolarHBondContact SG-SG 2.94Å; C69-L125 HydrophobicContact CB-CD2 3.78Å; C69-L125 HydrophobicContact CB-CG 3.98Å
70	C	98.2	Very high	97.2	Very high	12 Å²	12	37.4 Å²	37.4	8%	0.081	17%	0.17	C	C	.	.	H	α-helix	trans	-71	-42.4	178.7	-58.2	0	0	0	0	111.7	C54 A66 D67 W68 K72 H73 D74	C54-C70 WeakPolarHBondContact CA-SG 3.26Å; C54-C70 HydrophobicContact CB-CB 3.74Å; C54-C70 WeakPolarHBondContact CB-SG 3.32Å; C54-C70 WeakPolarHBondContact SG-CB 3.32Å; C54-C70 CovalentContact SG-SG 2.02Å; C54-C70 PolarHBondContact SG-SG 2.84Å; A66-C70 PolarHBondContact O-N 3.38Å; A66-C70 PolarHBondContact O-SG 3.26Å; D67-C70 WeakPolarHBondContact O-CB 3.26Å; D67-C70 PolarHBondContact O-N 3.46Å; D67-C70 VanDerWaalsContact O-N 3.1Å; W68-C70 VanDerWaalsContact C-N 3.34Å; C70-K72 VanDerWaalsContact C-N 3.26Å; C70-K72 PolarHBondContact O-N 3.05Å; C70-H73 CarbonylContact O-C 3.58Å; C70-H73 WeakPolarHBondContact O-CA 3.42Å; C70-H73 WeakPolarHBondContact O-CB 3.47Å; C70-H73 PolarHBondContact O-N 3.1Å; C70-D74 PolarHBondContact O-N 3.32Å
71	H	97.9	Very high	97.2	Very high	7 Å²	7	42.4 Å²	42.4	3%	0.032	19%	0.193	C	C	.	.	H	α-helix	trans	-57.6	-39.9	171.1	175.8	-111.3	0	0	0	112	Y53 P62 D67 W68 H73 D74 C75 P147 Y152	Y53-H71 HydrophobicContact CD1-CB 3.84Å; Y53-H71 AromaticContact CD1-CD2 3.78Å; Y53-H71 HydrophobicContact CD2-CB 4.03Å; Y53-H71 HydrophobicContact CE1-CB 4.19Å; Y53-H71 AromaticContact CE1-CD2 3.3Å; Y53-H71 WeakPolarHBondContact CE1-CD2 3.09Å; Y53-H71 HydrophobicContact CE2-CB 4.35Å; Y53-H71 HydrophobicContact CG-CB 3.74Å; Y53-H71 AromaticContact CZ-CD2 3.55Å; P62-H71 HydrophobicContact CG-CB 4.15Å; D67-H71 PolarHBondContact O-N 3.28Å; W68-H71 AromaticContact CE3-ND1 3.88Å; W68-H71 AromaticContact CZ3-ND1 3.7Å; H71-H73 VanDerWaalsContact C-N 3.33Å; H71-H73 PolarHBondContact O-N 2.87Å; H71-D74 PolarHBondContact O-N 3.12Å; H71-C75 PolarHBondContact O-N 3.38Å; H71-C75 PolarHBondContact O-SG 2.82Å; H71-P147 PolarHBondContact NE2-O 2.74Å; H71-Y152 WeakPolarHBondContact CB-OH 3.48Å; H71-Y152 AromaticContact CE1-CE2 3.55Å; H71-Y152 AromaticContact ND1-CE2 3.26Å; H71-Y152 VanDerWaalsContact ND1-CE2 3.26Å; H71-Y152 WeakPolarHBondContact ND1-CE2 3.4Å; H71-Y152 AromaticContact ND1-CZ 3.36Å; H71-Y152 PolarHBondContact ND1-OH 3.32Å
72	K	97.9	Very high	97.2	Very high	81 Å²	81	44.7 Å²	44.7	35%	0.352	20%	0.202	S	C	.	.	H	α-helix	trans	-63.4	-41.1	174.6	-172	168.2	-178.2	147.5	0	111.8	W68 C69 C70 C75 C76 Y152	W68-K72 PolarHBondContact O-N 3.43Å; W68-K72 VanDerWaalsContact O-N 3.16Å; C69-K72 WeakPolarHBondContact O-CB 3.06Å; C69-K72 PolarHBondContact O-N 3.18Å; C70-K72 VanDerWaalsContact C-N 3.26Å; C70-K72 PolarHBondContact O-N 3.05Å; K72-C75 PolarHBondContact O-N 3.36Å; K72-C76 PolarHBondContact O-N 3.16Å; K72-Y152 VanDerWaalsContact CA-CZ 3.49Å; K72-Y152 HydrophobicContact CB-CD1 4Å; K72-Y152 HydrophobicContact CB-CD2 4.14Å; K72-Y152 HydrophobicContact CB-CE1 3.59Å; K72-Y152 HydrophobicContact CB-CE2 3.77Å; K72-Y152 HydrophobicContact CB-CG 4.22Å; K72-Y152 VanDerWaalsContact CB-CZ 3.44Å; K72-Y152 HydrophobicContact CD-CD1 3.56Å; K72-Y152 HydrophobicContact CD-CE1 3.94Å; K72-Y152 HydrophobicContact CD-CG 3.91Å; K72-Y152 HydrophobicContact CG-CD1 3.75Å; K72-Y152 HydrophobicContact CG-CD2 3.95Å; K72-Y152 HydrophobicContact CG-CE1 3.91Å; K72-Y152 HydrophobicContact CG-CE2 4.12Å; K72-Y152 HydrophobicContact CG-CG 3.74Å; K72-Y152 PolarHBondContact N-OH 3.47Å; K72-Y152 PolarHBondContact NZ-OXT 2.92Å
73	H	97.6	Very high	97	Very high	19 Å²	19	50 Å²	50	9%	0.088	23%	0.229	C	C	.	.	H	α-helix	trans	-65.1	-44.4	178.6	-176.6	-112.8	0	0	0	111.5	C69 C70 H71 C75 C76 Y77 D118 A121	C69-H73 WeakPolarHBondContact O-CB 3.5Å; C69-H73 PolarHBondContact O-N 2.93Å; C70-H73 CarbonylContact O-C 3.58Å; C70-H73 WeakPolarHBondContact O-CA 3.42Å; C70-H73 WeakPolarHBondContact O-CB 3.47Å; C70-H73 PolarHBondContact O-N 3.1Å; H71-H73 VanDerWaalsContact C-N 3.33Å; H71-H73 PolarHBondContact O-N 2.87Å; H73-C75 VanDerWaalsContact C-N 3.34Å; H73-C75 PolarHBondContact O-N 3.39Å; H73-C76 CarbonylContact O-C 3.52Å; H73-C76 WeakPolarHBondContact O-CA 3.23Å; H73-C76 WeakPolarHBondContact O-CB 2.98Å; H73-C76 PolarHBondContact O-N 2.98Å; H73-C76 VanDerWaalsContact O-N 3.07Å; H73-Y77 AromaticContact CE1-CD1 3.91Å; H73-Y77 AromaticContact CE1-CD2 3.94Å; H73-Y77 AromaticContact CE1-CE1 3.58Å; H73-Y77 AromaticContact CE1-CE2 3.62Å; H73-Y77 AromaticContact CE1-CZ 3.45Å; H73-Y77 VanDerWaalsContact CE1-CZ 3.45Å; H73-Y77 AromaticContact NE2-CD1 3.61Å; H73-Y77 AromaticContact NE2-CE1 3.14Å; H73-Y77 WeakPolarHBondContact NE2-CE1 3.01Å; H73-Y77 AromaticContact NE2-CZ 3.41Å; H73-Y77 PolarHBondContact O-N 3.37Å; H73-D118 IonicContact CD2-OD1 3.67Å; H73-D118 IonicContact CE1-OD1 2.72Å; H73-D118 IonicContact NE2-OD1 3.37Å; H73-D118 PolarHBondContact NE2-OD1 3.48Å; H73-A121 HydrophobicContact CB-CB 3.86Å
74	D	96.8	Very high	96.9	Very high	47 Å²	47	49.3 Å²	49.3	25%	0.251	24%	0.242	S	C	.	.	H	α-helix	trans	-60.4	-41.9	174.5	-73.8	-19	0	0	0	112.2	Y53 C70 H71 C76 Y77 G78	Y53-D74 WeakPolarHBondContact CD1-OD2 3.03Å; C70-D74 PolarHBondContact O-N 3.32Å; H71-D74 PolarHBondContact O-N 3.12Å; D74-C76 VanDerWaalsContact C-N 3.33Å; D74-C76 PolarHBondContact O-N 3.31Å; D74-Y77 PolarHBondContact O-N 3.35Å; D74-G78 PolarHBondContact O-N 3.48Å
75	C	96.6	Very high	96.7	Very high	10 Å²	10	48.9 Å²	48.9	7%	0.068	24%	0.241	C	C	.	.	H	α-helix	trans	-60.2	-43.2	172.8	-73	0	0	0	0	112.1	H71 K72 H73 G78 D79 C149 Y152	H71-C75 PolarHBondContact O-N 3.38Å; H71-C75 PolarHBondContact O-SG 2.82Å; K72-C75 PolarHBondContact O-N 3.36Å; H73-C75 VanDerWaalsContact C-N 3.34Å; H73-C75 PolarHBondContact O-N 3.39Å; C75-G78 PolarHBondContact O-N 3.43Å; C75-D79 PolarHBondContact O-N 3.42Å; C75-C149 VanDerWaalsContact CA-SG 3.56Å; C75-C149 HydrophobicContact CB-CB 3.61Å; C75-C149 WeakPolarHBondContact CB-SG 3.25Å; C75-C149 WeakPolarHBondContact SG-CA 3.12Å; C75-C149 WeakPolarHBondContact SG-CB 3.27Å; C75-C149 CovalentContact SG-SG 2.03Å; C75-C149 PolarHBondContact SG-SG 3.02Å; C75-Y152 HydrophobicContact CB-CD2 4.38Å; C75-Y152 HydrophobicContact CB-CE2 4.49Å
76	C	97.1	Very high	96.5	Very high	31 Å²	31	48.4 Å²	48.4	21%	0.209	24%	0.24	C	C	.	.	H	α-helix	trans	-64	-42.2	176.8	-160.4	0	0	0	0	111.4	K72 H73 D74 D79 A80 F113 C117	K72-C76 PolarHBondContact O-N 3.16Å; H73-C76 CarbonylContact O-C 3.52Å; H73-C76 WeakPolarHBondContact O-CA 3.23Å; H73-C76 WeakPolarHBondContact O-CB 2.98Å; H73-C76 PolarHBondContact O-N 2.98Å; H73-C76 VanDerWaalsContact O-N 3.07Å; D74-C76 VanDerWaalsContact C-N 3.33Å; D74-C76 PolarHBondContact O-N 3.31Å; C76-D79 WeakPolarHBondContact O-CB 3.42Å; C76-D79 PolarHBondContact O-N 2.84Å; C76-A80 PolarHBondContact O-N 3.02Å; C76-F113 WeakPolarHBondContact O-CE1 3.32Å; C76-C117 HydrophobicContact CB-CB 3.78Å; C76-C117 WeakPolarHBondContact CB-SG 3.36Å; C76-C117 WeakPolarHBondContact SG-CA 3.43Å; C76-C117 WeakPolarHBondContact SG-CB 3.4Å; C76-C117 CovalentContact SG-SG 2.03Å; C76-C117 PolarHBondContact SG-SG 2.95Å
77	Y	96.1	Very high	96.1	Very high	16 Å²	16	48.7 Å²	48.7	6%	0.063	24%	0.242	C	C	.	.	H	α-helix	trans	-65.8	-37.9	174.9	-89.8	25.5	0	0	0	112.1	H73 D74 D79 A80 E81 T87 L114 C117 D118	H73-Y77 AromaticContact CE1-CD1 3.91Å; H73-Y77 AromaticContact CE1-CD2 3.94Å; H73-Y77 AromaticContact CE1-CE1 3.58Å; H73-Y77 AromaticContact CE1-CE2 3.62Å; H73-Y77 AromaticContact CE1-CZ 3.45Å; H73-Y77 VanDerWaalsContact CE1-CZ 3.45Å; H73-Y77 AromaticContact NE2-CD1 3.61Å; H73-Y77 AromaticContact NE2-CE1 3.14Å; H73-Y77 WeakPolarHBondContact NE2-CE1 3.01Å; H73-Y77 AromaticContact NE2-CZ 3.41Å; H73-Y77 PolarHBondContact O-N 3.37Å; D74-Y77 PolarHBondContact O-N 3.35Å; Y77-D79 VanDerWaalsContact C-N 3.3Å; Y77-D79 PolarHBondContact O-N 3.07Å; Y77-A80 WeakPolarHBondContact O-CB 3.19Å; Y77-A80 PolarHBondContact O-N 3.28Å; Y77-A80 VanDerWaalsContact O-N 3.13Å; Y77-E81 WeakPolarHBondContact O-CG 3.46Å; Y77-E81 PolarHBondContact O-N 3.02Å; Y77-T87 HydrophobicContact CD1-CG2 4.22Å; Y77-T87 HydrophobicContact CD2-CG2 3.85Å; Y77-T87 HydrophobicContact CE2-CG2 4.35Å; Y77-T87 HydrophobicContact CG-CG2 3.74Å; Y77-T87 PolarHBondContact OH-O 3.45Å; Y77-L114 HydrophobicContact CD1-CD2 4.19Å; Y77-L114 HydrophobicContact CE1-CD2 3.84Å; Y77-C117 HydrophobicContact CD1-CB 3.98Å; Y77-C117 HydrophobicContact CE1-CB 3.89Å; Y77-D118 VanDerWaalsContact CE1-OD1 3.28Å; Y77-D118 WeakPolarHBondContact CE1-OD1 3.46Å; Y77-D118 PolarHBondContact OH-OD1 2.89Å; Y77-D118 PolarHBondContact OH-OD2 3.33Å
78	G	94.9	Very high	95.5	Very high	21 Å²	21	53.6 Å²	53.6	22%	0.216	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-37.4	172.7	0	0	0	0	0	112.9	D74 C75 R82	D74-G78 PolarHBondContact O-N 3.48Å; C75-G78 PolarHBondContact O-N 3.43Å; G78-R82 WeakPolarHBondContact O-CG 3.28Å; G78-R82 PolarHBondContact O-N 3.15Å; G78-R82 VanDerWaalsContact O-N 3.08Å
79	D	95.5	Very high	95	Very high	67 Å²	67	53.5 Å²	53.5	36%	0.358	27%	0.27	S	S	.	.	H	α-helix	trans	-65.9	-44.1	171	-77.2	-34.7	0	0	0	112.2	C75 C76 Y77 E81 R82 L83 F113	C75-D79 PolarHBondContact O-N 3.42Å; C76-D79 WeakPolarHBondContact O-CB 3.42Å; C76-D79 PolarHBondContact O-N 2.84Å; Y77-D79 VanDerWaalsContact C-N 3.3Å; Y77-D79 PolarHBondContact O-N 3.07Å; D79-E81 VanDerWaalsContact C-N 3.32Å; D79-E81 PolarHBondContact O-N 2.82Å; D79-R82 WeakPolarHBondContact O-CB 3.38Å; D79-R82 PolarHBondContact O-N 3.27Å; D79-R82 IonicContact OD1-CZ 3.14Å; D79-R82 IonicContact OD1-NE 2.63Å; D79-R82 PolarHBondContact OD1-NE 2.98Å; D79-R82 IonicContact OD1-NH2 3.39Å; D79-R82 PolarHBondContact OD1-NH2 2.03Å; D79-L83 WeakPolarHBondContact O-CG 3.49Å; D79-L83 PolarHBondContact O-N 2.81Å; D79-F113 HydrophobicContact CB-CE1 3.99Å; D79-F113 HydrophobicContact CB-CZ 3.81Å
80	A	95.5	Very high	94.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.3	-42.8	177.1	0	0	0	0	0	111.6	C76 Y77 L83 G84 C85 T87 F113 L114	C76-A80 PolarHBondContact O-N 3.02Å; Y77-A80 WeakPolarHBondContact O-CB 3.19Å; Y77-A80 PolarHBondContact O-N 3.28Å; Y77-A80 VanDerWaalsContact O-N 3.13Å; A80-L83 CarbonylContact O-C 3.49Å; A80-L83 WeakPolarHBondContact O-CA 3.33Å; A80-L83 WeakPolarHBondContact O-CB 3.38Å; A80-L83 PolarHBondContact O-N 3.31Å; A80-L83 VanDerWaalsContact O-N 3.1Å; A80-G84 PolarHBondContact O-N 2.72Å; A80-C85 HydrophobicContact CB-CB 4.02Å; A80-C85 WeakPolarHBondContact O-CB 3.34Å; A80-C85 PolarHBondContact O-N 3.29Å; A80-C85 PolarHBondContact O-SG 2.93Å; A80-T87 HydrophobicContact CB-CG2 3.83Å; A80-F113 HydrophobicContact CB-CD1 3.67Å; A80-F113 HydrophobicContact CB-CE1 3.91Å; A80-L114 HydrophobicContact CB-CD2 3.75Å
81	E	94.9	Very high	94.2	Very high	104 Å²	104	57.3 Å²	57.3	49%	0.486	29%	0.292	S	S	.	.	H	α-helix	trans	-64.5	-40.8	177	-71.2	174.7	178.2	0	0	111.6	Y77 D79 L83 G84 T87	Y77-E81 WeakPolarHBondContact O-CG 3.46Å; Y77-E81 PolarHBondContact O-N 3.02Å; D79-E81 VanDerWaalsContact C-N 3.32Å; D79-E81 PolarHBondContact O-N 2.82Å; E81-L83 PolarHBondContact O-N 2.84Å; E81-G84 PolarHBondContact O-N 3.49Å; E81-T87 HydrophobicContact CG-CG2 3.6Å; E81-T87 PolarHBondContact OE1-OG1 2.89Å
82	R	95.8	Very high	94	Very high	179 Å²	179	57.4 Å²	57.4	68%	0.675	29%	0.293	S	S	*	.	H	α-helix	trans	-60.6	-28.8	172.4	-78.1	-171.3	-77.6	-106.7	6.5	112.9	G78 D79 G84	G78-R82 WeakPolarHBondContact O-CG 3.28Å; G78-R82 PolarHBondContact O-N 3.15Å; G78-R82 VanDerWaalsContact O-N 3.08Å; D79-R82 WeakPolarHBondContact O-CB 3.38Å; D79-R82 PolarHBondContact O-N 3.27Å; D79-R82 IonicContact OD1-CZ 3.14Å; D79-R82 IonicContact OD1-NE 2.63Å; D79-R82 PolarHBondContact OD1-NE 2.98Å; D79-R82 IonicContact OD1-NH2 3.39Å; D79-R82 PolarHBondContact OD1-NH2 2.03Å; R82-G84 VanDerWaalsContact C-N 3.28Å
83	L	94.4	Very high	93.8	Very high	117 Å²	117	59.2 Å²	59.2	61%	0.613	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	0.3	174.4	-66.3	171.9	0	0	0	113.5	D79 A80 E81 F113	D79-L83 WeakPolarHBondContact O-CG 3.49Å; D79-L83 PolarHBondContact O-N 2.81Å; A80-L83 CarbonylContact O-C 3.49Å; A80-L83 WeakPolarHBondContact O-CA 3.33Å; A80-L83 WeakPolarHBondContact O-CB 3.38Å; A80-L83 PolarHBondContact O-N 3.31Å; A80-L83 VanDerWaalsContact O-N 3.1Å; E81-L83 PolarHBondContact O-N 2.84Å; L83-F113 HydrophobicContact CD1-CD2 4.17Å; L83-F113 HydrophobicContact CD1-CE2 4.03Å; L83-F113 HydrophobicContact CD1-CZ 4.31Å
84	G	95.3	Very high	93.7	Very high	51 Å²	51	61.4 Å²	61.4	53%	0.526	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	16.2	179.8	0	0	0	0	0	114.4	A80 E81 R82	A80-G84 PolarHBondContact O-N 2.72Å; E81-G84 PolarHBondContact O-N 3.49Å; R82-G84 VanDerWaalsContact C-N 3.28Å
85	C	95.3	Very high	93.8	Very high	9 Å²	9	61.3 Å²	61.3	6%	0.061	31%	0.311	C	S	.	.			trans	-83.8	141.8	180	-57	0	0	0	0	112.6	A80 T87 C110	A80-C85 HydrophobicContact CB-CB 4.02Å; A80-C85 WeakPolarHBondContact O-CB 3.34Å; A80-C85 PolarHBondContact O-N 3.29Å; A80-C85 PolarHBondContact O-SG 2.93Å; C85-T87 PolarHBondContact O-N 3.08Å; C85-C110 WeakPolarHBondContact CA-SG 3.37Å; C85-C110 HydrophobicContact CB-CB 3.57Å; C85-C110 WeakPolarHBondContact CB-SG 3.46Å; C85-C110 WeakPolarHBondContact SG-CA 3.48Å; C85-C110 WeakPolarHBondContact SG-CB 3.44Å; C85-C110 CovalentContact SG-SG 2.04Å; C85-C110 PolarHBondContact SG-SG 2.97Å
86	Y	93.2	Very high	93.8	Very high	174 Å²	174	64.1 Å²	64.1	68%	0.682	33%	0.33	S	S	*	.			trans	-89.7	75.6	178.1	-60.9	-81.9	0	0	0	111.9	K88 T89 A90	Y86-K88 PolarHBondContact O-N 2.93Å; Y86-T89 WeakPolarHBondContact CB-OG1 3.47Å; Y86-T89 PolarHBondContact O-N 3.2Å; Y86-T89 VanDerWaalsContact O-N 3.08Å; Y86-A90 WeakPolarHBondContact O-CB 3.19Å; Y86-A90 PolarHBondContact O-N 3.03Å
87	T	89.5	Confident	93.7	Very high	6 Å²	6	68.7 Å²	68.7	4%	0.037	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-35.1	-173.2	52.1	0	0	0	0	116.2	Y77 A80 E81 C85 L114	Y77-T87 HydrophobicContact CD1-CG2 4.22Å; Y77-T87 HydrophobicContact CD2-CG2 3.85Å; Y77-T87 HydrophobicContact CE2-CG2 4.35Å; Y77-T87 HydrophobicContact CG-CG2 3.74Å; Y77-T87 PolarHBondContact OH-O 3.45Å; A80-T87 HydrophobicContact CB-CG2 3.83Å; E81-T87 HydrophobicContact CG-CG2 3.6Å; E81-T87 PolarHBondContact OE1-OG1 2.89Å; C85-T87 PolarHBondContact O-N 3.08Å; T87-L114 HydrophobicContact CG2-CD2 3.72Å
88	K	87.3	Confident	93.7	Very high	103 Å²	103	75.7 Å²	75.7	45%	0.448	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-13.8	-174.1	-62.7	177.2	-175.5	174.5	0	114	G28 L29 Y86	G28-K88 PolarHBondContact N-O 3.19Å; L29-K88 HydrophobicContact CG-CB 4.48Å; Y86-K88 PolarHBondContact O-N 2.93Å
89	T	87.9	Confident	93.7	Very high	68 Å²	68	83.1 Å²	83.1	42%	0.417	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.6	-16.8	-170.9	55.2	0	0	0	0	114.7	K26 R27 Y86	K26-T89 HydrophobicContact CB-CG2 4.18Å; K26-T89 HydrophobicContact CG-CG2 4.38Å; R27-T89 CarbonylContact C-O 3.33Å; R27-T89 PolarHBondContact N-O 3.44Å; Y86-T89 WeakPolarHBondContact CB-OG1 3.47Å; Y86-T89 PolarHBondContact O-N 3.2Å; Y86-T89 VanDerWaalsContact O-N 3.08Å
90	A	87.8	Confident	93.8	Very high	20 Å²	20	83.1 Å²	83.1	17%	0.165	41%	0.406	C	S	.	.			trans	-74.4	126.6	179.6	0	0	0	0	0	111	R27 G28 Y86 L114	R27-A90 CarbonylContact O-C 3.58Å; G28-A90 WeakPolarHBondContact CA-O 3.06Å; Y86-A90 WeakPolarHBondContact O-CB 3.19Å; Y86-A90 PolarHBondContact O-N 3.03Å; A90-L114 HydrophobicContact CB-CD1 3.54Å
91	N	90.9	Very high	93.8	Very high	73 Å²	73	83.3 Å²	83.3	39%	0.39	41%	0.408	S	S	.	.			trans	-93.7	148.2	179.3	60.7	-77.5	0	0	0	110.3	R27 E111	R27-N91 HydrophobicContact CB-CB 3.79Å; R27-N91 WeakPolarHBondContact O-CA 3.44Å; R27-N91 WeakPolarHBondContact O-CB 3.44Å; R27-N91 PolarHBondContact O-N 2.96Å; N91-E111 WeakPolarHBondContact O-CG 3.14Å
92	Y	93.4	Very high	93.8	Very high	10 Å²	10	81.4 Å²	81.4	4%	0.039	40%	0.398	C	S	.	.			trans	-145.5	154.4	173.5	57	-100.4	0	0	0	110	E31 W94 L114 C115 D118	E31-Y92 HydrophobicContact CB-CD1 4.38Å; E31-Y92 HydrophobicContact CB-CD2 4.48Å; E31-Y92 HydrophobicContact CB-CE1 3.69Å; E31-Y92 HydrophobicContact CB-CE2 3.8Å; E31-Y92 WeakPolarHBondContact CB-OH 2.99Å; E31-Y92 HydrophobicContact CG-CD1 4.36Å; E31-Y92 HydrophobicContact CG-CD2 4.42Å; E31-Y92 HydrophobicContact CG-CE1 4.16Å; E31-Y92 HydrophobicContact CG-CE2 4.21Å; E31-Y92 HydrophobicContact CG-CG 4.49Å; Y92-W94 HydrophobicContact CD2-CB 4.16Å; Y92-W94 HydrophobicContact CD2-CG 4.39Å; Y92-W94 HydrophobicContact CE2-CB 4.03Å; Y92-W94 AromaticContact CE2-CD1 3.74Å; Y92-W94 HydrophobicContact CE2-CG 4.01Å; Y92-L114 HydrophobicContact CD1-CB 4.04Å; Y92-L114 HydrophobicContact CE1-CB 3.97Å; Y92-C115 HydrophobicContact CD1-CB 4.27Å; Y92-C115 HydrophobicContact CD2-CB 3.42Å; Y92-C115 VanDerWaalsContact CD2-CB 3.42Å; Y92-C115 HydrophobicContact CE1-CB 4.34Å; Y92-C115 HydrophobicContact CE2-CB 3.51Å; Y92-C115 VanDerWaalsContact CE2-SG 3.57Å; Y92-C115 HydrophobicContact CG-CB 3.83Å; Y92-D118 WeakPolarHBondContact OH-CB 3.48Å; Y92-D118 PolarHBondContact OH-OD2 2.93Å
93	H	93.9	Very high	93.7	Very high	118 Å²	118	74.6 Å²	74.6	55%	0.546	38%	0.378	S	S	.	.			trans	-81.8	134.8	175.6	-73.1	-81.4	0	0	0	111.4	E104 L106	H93-E104 HydrophobicContact CB-CB 4.19Å; H93-E104 HydrophobicContact CB-CG 4.38Å; H93-E104 PolarHBondContact O-N 3.43Å; H93-L106 HydrophobicContact CB-CD2 3.93Å
94	W	96.6	Very high	93.6	Very high	66 Å²	66	73.5 Å²	73.5	25%	0.25	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	155.8	-178.9	69.3	-80.3	0	0	0	110.4	G34 C38 Y92 C96 A101 E102	G34-W94 WeakPolarHBondContact O-CH2 3.33Å; C38-W94 HydrophobicContact CB-CH2 4.38Å; C38-W94 HydrophobicContact CB-CZ3 4.1Å; Y92-W94 HydrophobicContact CD2-CB 4.16Å; Y92-W94 HydrophobicContact CD2-CG 4.39Å; Y92-W94 HydrophobicContact CE2-CB 4.03Å; Y92-W94 AromaticContact CE2-CD1 3.74Å; Y92-W94 HydrophobicContact CE2-CG 4.01Å; W94-C96 HydrophobicContact CZ3-CB 3.91Å; W94-A101 HydrophobicContact CE3-CB 3.9Å; W94-A101 HydrophobicContact CZ3-CB 4.07Å; W94-E102 CarbonylContact C-O 3.55Å; W94-E102 WeakPolarHBondContact CA-O 3.32Å; W94-E102 VanDerWaalsContact CB-O 3.28Å; W94-E102 WeakPolarHBondContact CB-O 3.49Å
95	T	97.1	Very high	93.3	Very high	45 Å²	45	78.8 Å²	78.8	28%	0.276	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	161.4	176.9	61.9	0	0	0	0	111.7	A101 E102 E104	T95-A101 CarbonylContact O-C 3.5Å; T95-A101 WeakPolarHBondContact O-CA 3.49Å; T95-E102 PolarHBondContact N-O 3.48Å; T95-E102 PolarHBondContact O-N 2.88Å; T95-E104 HydrophobicContact CG2-CG 4.01Å; T95-E104 WeakPolarHBondContact CG2-OE1 2.99Å
96	C	97.8	Very high	93.1	Very high	69 Å²	69	78.8 Å²	78.8	47%	0.466	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	108.4	173	-179.9	0	0	0	0	109.4	C38 W94 E100	C38-C96 HydrophobicContact CB-CB 3.84Å; C38-C96 WeakPolarHBondContact CB-SG 3.45Å; C38-C96 VanDerWaalsContact SG-CA 3.59Å; C38-C96 WeakPolarHBondContact SG-CB 3.2Å; C38-C96 CovalentContact SG-SG 2.03Å; C38-C96 PolarHBondContact SG-SG 2.52Å; W94-C96 HydrophobicContact CZ3-CB 3.91Å; C96-E100 WeakPolarHBondContact CA-O 3.2Å
97	E	95.1	Very high	93	Very high	127 Å²	127	79 Å²	79	59%	0.593	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.9	178.9	-65.9	-176.3	-173.7	0	0	108.9	R99 E100	E97-R99 PolarHBondContact O-N 2.89Å; E97-E100 PolarHBondContact N-O 3.37Å; E97-E100 WeakPolarHBondContact O-CA 3.21Å; E97-E100 WeakPolarHBondContact O-CB 3.33Å; E97-E100 PolarHBondContact O-N 3.49Å
98	D	95.1	Very high	93.2	Very high	162 Å²	162	82.4 Å²	82.4	87%	0.866	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	36	179.6	-65.9	-32.8	0	0	0	115.5	E100	D98-E100 VanDerWaalsContact C-N 3.27Å; D98-E100 PolarHBondContact O-N 2.79Å
99	R	96.2	Very high	93.6	Very high	178 Å²	178	86 Å²	86	67%	0.672	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	34.5	-175.2	-49.5	178.4	-177.5	-178.4	0.8	112.8	C38 S39 E97 R126	C38-R99 WeakPolarHBondContact O-CB 3.44Å; S39-R99 WeakPolarHBondContact CA-O 3.37Å; E97-R99 PolarHBondContact O-N 2.89Å; R99-R126 PolarHBondContact O-NH1 3.48Å; R99-R126 VanDerWaalsContact O-NH1 3.13Å
100	E	96.5	Very high	93.9	Very high	66 Å²	66	84 Å²	84	31%	0.308	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.2	169	-58.7	-158.2	164.9	0	0	108.2	C96 E97 D98 R126	C96-E100 WeakPolarHBondContact CA-O 3.2Å; E97-E100 PolarHBondContact N-O 3.37Å; E97-E100 WeakPolarHBondContact O-CA 3.21Å; E97-E100 WeakPolarHBondContact O-CB 3.33Å; E97-E100 PolarHBondContact O-N 3.49Å; D98-E100 VanDerWaalsContact C-N 3.27Å; D98-E100 PolarHBondContact O-N 2.79Å; E100-R126 IonicContact OE1-CZ 3.27Å; E100-R126 VanDerWaalsContact OE1-CZ 3.27Å; E100-R126 IonicContact OE1-NH1 2.87Å; E100-R126 PolarHBondContact OE1-NH1 3.02Å; E100-R126 IonicContact OE1-NH2 2.74Å; E100-R126 PolarHBondContact OE1-NH2 3.15Å
101	A	96.5	Very high	94.3	Very high	5 Å²	5	85.3 Å²	85.3	4%	0.041	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	123.8	171.9	0	0	0	0	0	107.8	A35 W94 T95 R119	A35-A101 HydrophobicContact CB-CB 3.75Å; W94-A101 HydrophobicContact CE3-CB 3.9Å; W94-A101 HydrophobicContact CZ3-CB 4.07Å; T95-A101 CarbonylContact O-C 3.5Å; T95-A101 WeakPolarHBondContact O-CA 3.49Å; A101-R119 WeakPolarHBondContact O-CD 3.35Å; A101-R119 WeakPolarHBondContact O-CG 3.5Å
102	E	95.1	Very high	94.5	Very high	63 Å²	63	86.4 Å²	86.4	29%	0.294	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	139.4	178.6	-70.1	-59.6	162.9	0	0	111.4	W94 T95 R119	W94-E102 CarbonylContact C-O 3.55Å; W94-E102 WeakPolarHBondContact CA-O 3.32Å; W94-E102 VanDerWaalsContact CB-O 3.28Å; W94-E102 WeakPolarHBondContact CB-O 3.49Å; T95-E102 PolarHBondContact N-O 3.48Å; T95-E102 PolarHBondContact O-N 2.88Å; E102-R119 IonicContact OE2-NH1 3.66Å; E102-R119 PolarHBondContact OE2-NH1 3.27Å; E102-R119 VanDerWaalsContact OE2-NH1 3.14Å
103	C	93.6	Very high	94.7	Very high	37 Å²	37	89 Å²	89	25%	0.25	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	129.1	175.7	-56.1	0	0	0	0	108.9	L106 C115	C103-L106 HydrophobicContact CB-CD1 4.32Å; C103-C115 WeakPolarHBondContact CA-SG 3.45Å; C103-C115 HydrophobicContact CB-CB 3.94Å; C103-C115 WeakPolarHBondContact CB-SG 3.33Å; C103-C115 WeakPolarHBondContact SG-CB 3.49Å; C103-C115 CovalentContact SG-SG 2.02Å; C103-C115 PolarHBondContact SG-SG 2.97Å
104	E	90.6	Very high	94.8	Very high	93 Å²	93	83.3 Å²	83.3	44%	0.435	40%	0.404	S	S	.	.			trans	-70.5	-179.1	173.2	-68.6	-174.8	-166	0	0	111.1	H93 T95 L106	H93-E104 HydrophobicContact CB-CB 4.19Å; H93-E104 HydrophobicContact CB-CG 4.38Å; H93-E104 PolarHBondContact O-N 3.43Å; T95-E104 HydrophobicContact CG2-CG 4.01Å; T95-E104 WeakPolarHBondContact CG2-OE1 2.99Å; E104-L106 WeakPolarHBondContact O-CG 3.45Å; E104-L106 PolarHBondContact O-N 2.74Å
105	D	90.3	Very high	94.9	Very high	162 Å²	162	80.3 Å²	80.3	87%	0.866	39%	0.393	S	S	*	.	S	Bend	trans	-72.6	81.3	173.9	-164.8	16.1	0	0	0	110.1
106	L	90.8	Very high	94.9	Very high	9 Å²	9	84.1 Å²	84.1	5%	0.047	41%	0.406	C	S	.	.			trans	-76.4	156.6	178.5	-60.3	167.8	0	0	0	109.1	H93 C103 E104 E111 K112 C115	H93-L106 HydrophobicContact CB-CD2 3.93Å; C103-L106 HydrophobicContact CB-CD1 4.32Å; E104-L106 WeakPolarHBondContact O-CG 3.45Å; E104-L106 PolarHBondContact O-N 2.74Å; L106-E111 HydrophobicContact CB-CB 4.4Å; L106-E111 HydrophobicContact CD1-CB 4.12Å; L106-E111 HydrophobicContact CD2-CB 4.35Å; L106-K112 HydrophobicContact CB-CG 3.69Å; L106-K112 HydrophobicContact CD1-CG 4.41Å; L106-K112 WeakPolarHBondContact O-CE 3.17Å; L106-K112 PolarHBondContact O-NZ 3.18Å; L106-C115 HydrophobicContact CD1-CB 3.93Å
107	E	90.3	Very high	94.9	Very high	180 Å²	180	81 Å²	81	84%	0.841	39%	0.385	S	S	*	.			trans	-108.2	-41.7	172.1	-70	-169.4	164.2	0	0	111.3
108	D	94.8	Very high	95	Very high	76 Å²	76	75 Å²	75	41%	0.406	36%	0.356	S	S	.	.	S	Bend	trans	-66.5	137	-178.3	-179.9	-93.9	0	0	0	112	C110 E111 K112	D108-C110 VanDerWaalsContact OD1-CA 3.28Å; D108-C110 WeakPolarHBondContact OD1-CA 3.3Å; D108-C110 WeakPolarHBondContact OD1-CB 3.47Å; D108-C110 PolarHBondContact OD1-N 2.77Å; D108-E111 HydrophobicContact CB-CB 4.02Å; D108-E111 HydrophobicContact CB-CG 3.74Å; D108-E111 PolarHBondContact OD1-N 2.81Å; D108-K112 WeakPolarHBondContact O-CG 3.28Å; D108-K112 PolarHBondContact O-N 3.01Å; D108-K112 VanDerWaalsContact O-N 3.08Å
109	K	95.1	Very high	95.2	Very high	178 Å²	178	70.3 Å²	70.3	77%	0.774	33%	0.327	S	S	*	.	H	α-helix	trans	-68.4	-37	-176.3	-68.9	-179.5	-178.8	176.3	0	111.8	F113	K109-F113 VanDerWaalsContact O-CB 3.26Å; K109-F113 WeakPolarHBondContact O-CB 3.18Å; K109-F113 PolarHBondContact O-N 3.34Å
110	C	95.6	Very high	95.3	Very high	26 Å²	26	65.2 Å²	65.2	18%	0.176	31%	0.311	C	S	.	.	H	α-helix	trans	-71.7	-43.1	178.7	-70.3	0	0	0	0	110.8	C85 D108 K112 F113 L114	C85-C110 WeakPolarHBondContact CA-SG 3.37Å; C85-C110 HydrophobicContact CB-CB 3.57Å; C85-C110 WeakPolarHBondContact CB-SG 3.46Å; C85-C110 WeakPolarHBondContact SG-CA 3.48Å; C85-C110 WeakPolarHBondContact SG-CB 3.44Å; C85-C110 CovalentContact SG-SG 2.04Å; C85-C110 PolarHBondContact SG-SG 2.97Å; D108-C110 VanDerWaalsContact OD1-CA 3.28Å; D108-C110 WeakPolarHBondContact OD1-CA 3.3Å; D108-C110 WeakPolarHBondContact OD1-CB 3.47Å; D108-C110 PolarHBondContact OD1-N 2.77Å; C110-K112 PolarHBondContact O-N 2.02Å; C110-F113 PolarHBondContact O-N 3.06Å; C110-L114 WeakPolarHBondContact O-CB 2.95Å; C110-L114 WeakPolarHBondContact O-CG 3.35Å; C110-L114 PolarHBondContact O-N 3.25Å
111	E	95.4	Very high	95.3	Very high	48 Å²	48	62.4 Å²	62.4	22%	0.224	30%	0.299	C	S	.	.	H	α-helix	trans	-55.7	-49.9	174.4	-66	-176.8	-178.5	0	0	111.5	N91 L106 D108 F113 C115	N91-E111 WeakPolarHBondContact O-CG 3.14Å; L106-E111 HydrophobicContact CB-CB 4.4Å; L106-E111 HydrophobicContact CD1-CB 4.12Å; L106-E111 HydrophobicContact CD2-CB 4.35Å; D108-E111 HydrophobicContact CB-CB 4.02Å; D108-E111 HydrophobicContact CB-CG 3.74Å; D108-E111 PolarHBondContact OD1-N 2.81Å; E111-F113 VanDerWaalsContact C-N 3.34Å; E111-F113 PolarHBondContact O-N 2.8Å; E111-C115 VanDerWaalsContact O-CB 3.23Å; E111-C115 WeakPolarHBondContact O-CB 3.21Å; E111-C115 PolarHBondContact O-N 3.17Å
112	K	95.8	Very high	95.4	Very high	96 Å²	96	62.2 Å²	62.2	42%	0.417	30%	0.297	S	S	.	.	H	α-helix	trans	-56	-47.8	175.3	-76.2	177.8	-178.1	174.9	0	112.6	L106 D108 C110 K116	L106-K112 HydrophobicContact CB-CG 3.69Å; L106-K112 HydrophobicContact CD1-CG 4.41Å; L106-K112 WeakPolarHBondContact O-CE 3.17Å; L106-K112 PolarHBondContact O-NZ 3.18Å; D108-K112 WeakPolarHBondContact O-CG 3.28Å; D108-K112 PolarHBondContact O-N 3.01Å; D108-K112 VanDerWaalsContact O-N 3.08Å; C110-K112 PolarHBondContact O-N 2.02Å; K112-K116 WeakPolarHBondContact O-CB 3.44Å; K112-K116 PolarHBondContact O-N 3.38Å
113	F	96.5	Very high	95.6	Very high	64 Å²	64	62.5 Å²	62.5	28%	0.281	30%	0.297	S	S	.	.	H	α-helix	trans	-68.9	-45.2	-173.4	-161.4	-84.1	0	0	0	111.1	C76 D79 A80 L83 K109 C110 E111 K116 C117	C76-F113 WeakPolarHBondContact O-CE1 3.32Å; D79-F113 HydrophobicContact CB-CE1 3.99Å; D79-F113 HydrophobicContact CB-CZ 3.81Å; A80-F113 HydrophobicContact CB-CD1 3.67Å; A80-F113 HydrophobicContact CB-CE1 3.91Å; L83-F113 HydrophobicContact CD1-CD2 4.17Å; L83-F113 HydrophobicContact CD1-CE2 4.03Å; L83-F113 HydrophobicContact CD1-CZ 4.31Å; K109-F113 VanDerWaalsContact O-CB 3.26Å; K109-F113 WeakPolarHBondContact O-CB 3.18Å; K109-F113 PolarHBondContact O-N 3.34Å; C110-F113 PolarHBondContact O-N 3.06Å; E111-F113 VanDerWaalsContact C-N 3.34Å; E111-F113 PolarHBondContact O-N 2.8Å; F113-K116 WeakPolarHBondContact O-CB 3.44Å; F113-K116 PolarHBondContact O-N 2.87Å; F113-C117 PolarHBondContact O-N 3.06Å; F113-C117 PolarHBondContact O-SG 3.23Å
114	L	97.1	Very high	95.8	Very high	0 Å²	0	63 Å²	63	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66.1	-45	178.1	-65.6	174.7	0	0	0	111.7	Y77 A80 T87 A90 Y92 C110 K116 C117 D118	Y77-L114 HydrophobicContact CD1-CD2 4.19Å; Y77-L114 HydrophobicContact CE1-CD2 3.84Å; A80-L114 HydrophobicContact CB-CD2 3.75Å; T87-L114 HydrophobicContact CG2-CD2 3.72Å; A90-L114 HydrophobicContact CB-CD1 3.54Å; Y92-L114 HydrophobicContact CD1-CB 4.04Å; Y92-L114 HydrophobicContact CE1-CB 3.97Å; C110-L114 WeakPolarHBondContact O-CB 2.95Å; C110-L114 WeakPolarHBondContact O-CG 3.35Å; C110-L114 PolarHBondContact O-N 3.25Å; L114-K116 PolarHBondContact O-N 2.79Å; L114-C117 WeakPolarHBondContact O-CB 3.5Å; L114-C117 PolarHBondContact O-N 3.06Å; L114-D118 PolarHBondContact O-N 2.98Å
115	C	97.3	Very high	96.2	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.02	28%	0.281	C	S	.	.	H	α-helix	trans	-57.6	-41.8	175.5	-176.4	0	0	0	0	111.7	Y92 C103 L106 E111 D118 R119	Y92-C115 HydrophobicContact CD1-CB 4.27Å; Y92-C115 HydrophobicContact CD2-CB 3.42Å; Y92-C115 VanDerWaalsContact CD2-CB 3.42Å; Y92-C115 HydrophobicContact CE1-CB 4.34Å; Y92-C115 HydrophobicContact CE2-CB 3.51Å; Y92-C115 VanDerWaalsContact CE2-SG 3.57Å; Y92-C115 HydrophobicContact CG-CB 3.83Å; C103-C115 WeakPolarHBondContact CA-SG 3.45Å; C103-C115 HydrophobicContact CB-CB 3.94Å; C103-C115 WeakPolarHBondContact CB-SG 3.33Å; C103-C115 WeakPolarHBondContact SG-CB 3.49Å; C103-C115 CovalentContact SG-SG 2.02Å; C103-C115 PolarHBondContact SG-SG 2.97Å; L106-C115 HydrophobicContact CD1-CB 3.93Å; E111-C115 VanDerWaalsContact O-CB 3.23Å; E111-C115 WeakPolarHBondContact O-CB 3.21Å; E111-C115 PolarHBondContact O-N 3.17Å; C115-D118 PolarHBondContact O-N 2.92Å; C115-R119 VanDerWaalsContact O-CB 3.26Å; C115-R119 WeakPolarHBondContact O-CB 3.42Å; C115-R119 PolarHBondContact O-N 3.26Å
116	K	97.3	Very high	96.6	Very high	124 Å²	124	55.1 Å²	55.1	54%	0.539	26%	0.255	S	S	.	.	H	α-helix	trans	-62.7	-45.3	174.5	-174.7	-177.8	176.3	-173.9	0	111.8	K112 F113 L114 D118 E120	K112-K116 WeakPolarHBondContact O-CB 3.44Å; K112-K116 PolarHBondContact O-N 3.38Å; F113-K116 WeakPolarHBondContact O-CB 3.44Å; F113-K116 PolarHBondContact O-N 2.87Å; L114-K116 PolarHBondContact O-N 2.79Å; K116-D118 VanDerWaalsContact C-N 3.34Å; K116-D118 PolarHBondContact O-N 3.03Å; K116-E120 HydrophobicContact CG-CG 4.47Å; K116-E120 VanDerWaalsContact O-CG 3.3Å; K116-E120 WeakPolarHBondContact O-CG 3.32Å; K116-E120 PolarHBondContact O-N 3.16Å
117	C	97.7	Very high	96.9	Very high	4 Å²	4	61.9 Å²	61.9	3%	0.027	28%	0.284	C	S	.	.	H	α-helix	trans	-56.3	-49.2	176.3	-66.3	0	0	0	0	111.3	C76 Y77 F113 L114 E120 A121	C76-C117 HydrophobicContact CB-CB 3.78Å; C76-C117 WeakPolarHBondContact CB-SG 3.36Å; C76-C117 WeakPolarHBondContact SG-CA 3.43Å; C76-C117 WeakPolarHBondContact SG-CB 3.4Å; C76-C117 CovalentContact SG-SG 2.03Å; C76-C117 PolarHBondContact SG-SG 2.95Å; Y77-C117 HydrophobicContact CD1-CB 3.98Å; Y77-C117 HydrophobicContact CE1-CB 3.89Å; F113-C117 PolarHBondContact O-N 3.06Å; F113-C117 PolarHBondContact O-SG 3.23Å; L114-C117 WeakPolarHBondContact O-CB 3.5Å; L114-C117 PolarHBondContact O-N 3.06Å; C117-E120 PolarHBondContact O-N 2.95Å; C117-A121 WeakPolarHBondContact O-CB 3.19Å; C117-A121 PolarHBondContact O-N 3.26Å
118	D	98.1	Very high	97.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-70.5	-39.7	-174.7	-68.2	-5.4	0	0	0	112.2	L32 H73 Y77 Y92 L114 C115 K116 A121 A122	L32-D118 HydrophobicContact CD1-CB 4Å; L32-D118 PolarHBondContact N-OD2 3.34Å; H73-D118 IonicContact CD2-OD1 3.67Å; H73-D118 IonicContact CE1-OD1 2.72Å; H73-D118 IonicContact NE2-OD1 3.37Å; H73-D118 PolarHBondContact NE2-OD1 3.48Å; Y77-D118 VanDerWaalsContact CE1-OD1 3.28Å; Y77-D118 WeakPolarHBondContact CE1-OD1 3.46Å; Y77-D118 PolarHBondContact OH-OD1 2.89Å; Y77-D118 PolarHBondContact OH-OD2 3.33Å; Y92-D118 WeakPolarHBondContact OH-CB 3.48Å; Y92-D118 PolarHBondContact OH-OD2 2.93Å; L114-D118 PolarHBondContact O-N 2.98Å; C115-D118 PolarHBondContact O-N 2.92Å; K116-D118 VanDerWaalsContact C-N 3.34Å; K116-D118 PolarHBondContact O-N 3.03Å; D118-A121 PolarHBondContact O-N 3.24Å; D118-A122 VanDerWaalsContact O-CB 3.28Å; D118-A122 WeakPolarHBondContact O-CB 3.47Å; D118-A122 PolarHBondContact O-N 3.29Å
119	R	97.9	Very high	97.4	Very high	65 Å²	65	53.8 Å²	53.8	25%	0.245	25%	0.252	C	S	.	.	H	α-helix	trans	-58.1	-51.1	172.2	176.7	-179.8	84.3	-171.3	0.6	111.4	A101 E102 C115 A121 A122 K123	A101-R119 WeakPolarHBondContact O-CD 3.35Å; A101-R119 WeakPolarHBondContact O-CG 3.5Å; E102-R119 IonicContact OE2-NH1 3.66Å; E102-R119 PolarHBondContact OE2-NH1 3.27Å; E102-R119 VanDerWaalsContact OE2-NH1 3.14Å; C115-R119 VanDerWaalsContact O-CB 3.26Å; C115-R119 WeakPolarHBondContact O-CB 3.42Å; C115-R119 PolarHBondContact O-N 3.26Å; R119-A121 VanDerWaalsContact C-N 3.33Å; R119-A121 PolarHBondContact O-N 2.96Å; R119-A122 PolarHBondContact O-N 3.16Å; R119-K123 VanDerWaalsContact O-CB 3.31Å; R119-K123 WeakPolarHBondContact O-CB 2.98Å; R119-K123 PolarHBondContact O-N 2.81Å
120	E	98.3	Very high	97.5	Very high	71 Å²	71	47.1 Å²	47.1	33%	0.332	22%	0.223	S	C	.	.	H	α-helix	trans	-67	-37.2	-177.2	-65.4	-52.9	141	0	0	111.4	K116 C117 K123 C124	K116-E120 HydrophobicContact CG-CG 4.47Å; K116-E120 VanDerWaalsContact O-CG 3.3Å; K116-E120 WeakPolarHBondContact O-CG 3.32Å; K116-E120 PolarHBondContact O-N 3.16Å; C117-E120 PolarHBondContact O-N 2.95Å; E120-K123 PolarHBondContact O-N 3.46Å; E120-C124 VanDerWaalsContact O-CB 3.27Å; E120-C124 WeakPolarHBondContact O-CB 3.02Å; E120-C124 PolarHBondContact O-N 3.43Å
121	A	98.1	Very high	97.7	Very high	7 Å²	7	49 Å²	49	6%	0.058	23%	0.231	C	C	.	.	H	α-helix	trans	-61.2	-49.3	172.8	0	0	0	0	0	111.5	H73 C117 D118 R119 K123 C124 L125	H73-A121 HydrophobicContact CB-CB 3.86Å; C117-A121 WeakPolarHBondContact O-CB 3.19Å; C117-A121 PolarHBondContact O-N 3.26Å; D118-A121 PolarHBondContact O-N 3.24Å; R119-A121 VanDerWaalsContact C-N 3.33Å; R119-A121 PolarHBondContact O-N 2.96Å; A121-K123 PolarHBondContact O-N 2.03Å; A121-C124 WeakPolarHBondContact O-CB 3.16Å; A121-C124 PolarHBondContact O-N 3.46Å; A121-L125 WeakPolarHBondContact O-CG 3.25Å; A121-L125 PolarHBondContact O-N 2.93Å
122	A	98.4	Very high	97.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-40.9	179.2	0	0	0	0	0	112.5	A35 S39 D118 R119 L125 R126	A35-A122 HydrophobicContact CB-CB 3.94Å; A35-A122 WeakPolarHBondContact O-CB 3.27Å; S39-A122 WeakPolarHBondContact CB-O 3.5Å; S39-A122 WeakPolarHBondContact OG-CB 3.44Å; D118-A122 VanDerWaalsContact O-CB 3.28Å; D118-A122 WeakPolarHBondContact O-CB 3.47Å; D118-A122 PolarHBondContact O-N 3.29Å; R119-A122 PolarHBondContact O-N 3.16Å; A122-L125 PolarHBondContact O-N 2.76Å; A122-R126 WeakPolarHBondContact O-CB 3.36Å; A122-R126 PolarHBondContact O-N 3.38Å
123	K	98.4	Very high	97.8	Very high	70 Å²	70	55.6 Å²	55.6	30%	0.304	26%	0.261	S	S	.	.	H	α-helix	trans	-64.7	-37.9	174.4	-175.3	173.9	-172.8	163.6	0	112.4	R119 E120 A121	R119-K123 VanDerWaalsContact O-CB 3.31Å; R119-K123 WeakPolarHBondContact O-CB 2.98Å; R119-K123 PolarHBondContact O-N 2.81Å; E120-K123 PolarHBondContact O-N 3.46Å; A121-K123 PolarHBondContact O-N 2.03Å
124	C	98.7	Very high	97.9	Very high	46 Å²	46	54.5 Å²	54.5	31%	0.311	26%	0.255	S	S	.	.	H	α-helix	trans	-65.1	-51	174.5	-174.9	0	0	0	0	110.7	C69 E120 A121 R126 K127 A128	C69-C124 VanDerWaalsContact CA-SG 3.53Å; C69-C124 HydrophobicContact CB-CB 3.63Å; C69-C124 WeakPolarHBondContact CB-SG 3.03Å; C69-C124 WeakPolarHBondContact SG-CB 3.47Å; C69-C124 CovalentContact SG-SG 2.03Å; C69-C124 PolarHBondContact SG-SG 2.94Å; E120-C124 VanDerWaalsContact O-CB 3.27Å; E120-C124 WeakPolarHBondContact O-CB 3.02Å; E120-C124 PolarHBondContact O-N 3.43Å; A121-C124 WeakPolarHBondContact O-CB 3.16Å; A121-C124 PolarHBondContact O-N 3.46Å; C124-R126 VanDerWaalsContact C-N 3.27Å; C124-R126 PolarHBondContact O-N 3.23Å; C124-K127 PolarHBondContact O-N 3.42Å; C124-A128 PolarHBondContact O-N 2.67Å; C124-A128 VanDerWaalsContact O-N 3.15Å
125	L	98.4	Very high	97.9	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.026	27%	0.266	C	S	.	.	H	α-helix	trans	-60.2	-35.2	179	-70.4	172.3	0	0	0	112.4	I36 T40 Y47 A66 C69 A121 A122 K127 A128	I36-L125 HydrophobicContact CD1-CD1 4.09Å; I36-L125 HydrophobicContact CG1-CD1 3.99Å; T40-L125 HydrophobicContact CG2-CB 3.83Å; Y47-L125 HydrophobicContact CD1-CD2 4.01Å; Y47-L125 HydrophobicContact CE1-CD2 3.82Å; Y47-L125 HydrophobicContact CG-CD1 4.45Å; A66-L125 HydrophobicContact CB-CD2 3.97Å; C69-L125 HydrophobicContact CB-CD2 3.78Å; C69-L125 HydrophobicContact CB-CG 3.98Å; A121-L125 WeakPolarHBondContact O-CG 3.25Å; A121-L125 PolarHBondContact O-N 2.93Å; A122-L125 PolarHBondContact O-N 2.76Å; L125-K127 PolarHBondContact O-N 3.29Å; L125-A128 PolarHBondContact O-N 2.71Å
126	R	98	Very high	97.8	Very high	85 Å²	85	61.7 Å²	61.7	32%	0.321	30%	0.297	S	S	.	.	H	α-helix	trans	-57.2	-34.2	173.4	-179.3	177.7	74.4	171.2	3.7	112.8	S39 R99 E100 A122 C124	S39-R126 WeakPolarHBondContact O-CD 3.48Å; S39-R126 WeakPolarHBondContact O-CG 3.44Å; R99-R126 PolarHBondContact O-NH1 3.48Å; R99-R126 VanDerWaalsContact O-NH1 3.13Å; E100-R126 IonicContact OE1-CZ 3.27Å; E100-R126 VanDerWaalsContact OE1-CZ 3.27Å; E100-R126 IonicContact OE1-NH1 2.87Å; E100-R126 PolarHBondContact OE1-NH1 3.02Å; E100-R126 IonicContact OE1-NH2 2.74Å; E100-R126 PolarHBondContact OE1-NH2 3.15Å; A122-R126 WeakPolarHBondContact O-CB 3.36Å; A122-R126 PolarHBondContact O-N 3.38Å; C124-R126 VanDerWaalsContact C-N 3.27Å; C124-R126 PolarHBondContact O-N 3.23Å
127	K	98.2	Very high	97.7	Very high	151 Å²	151	57.8 Å²	57.8	66%	0.657	28%	0.279	S	S	*	.	H	α-helix	trans	-89.8	-15.5	-178.8	-63.2	176.6	-178	-178.9	0	112.9	C124 L125	C124-K127 PolarHBondContact O-N 3.42Å; L125-K127 PolarHBondContact O-N 3.29Å
128	A	98.3	Very high	97.5	Very high	13 Å²	13	59.9 Å²	59.9	11%	0.107	29%	0.292	C	S	.	.	S	Bend	trans	-87.2	137.2	-179.6	0	0	0	0	0	110.8	R65 A66 C124 L125 F130	R65-A128 HydrophobicContact CB-CB 4.02Å; A66-A128 HydrophobicContact CB-CB 3.83Å; C124-A128 PolarHBondContact O-N 2.67Å; C124-A128 VanDerWaalsContact O-N 3.15Å; L125-A128 PolarHBondContact O-N 2.71Å; A128-F130 PolarHBondContact O-N 2.81Å
129	P	97.7	Very high	97.2	Very high	73 Å²	73	64.5 Å²	64.5	47%	0.474	32%	0.317	S	S	.	.			trans	-66.8	135	170.5	28.8	-32.8	0	0	0	109.7	I131	P129-I131 PolarHBondContact O-N 2.79Å
130	F	97.4	Very high	97	Very high	38 Å²	38	69.3 Å²	69.3	17%	0.167	34%	0.34	C	S	.	.			trans	-82.5	113.7	170	-176.8	-94.4	0	0	0	109.5	A46 Y47 Y50 A128 A135	A46-F130 HydrophobicContact CB-CE2 4.08Å; A46-F130 HydrophobicContact CB-CZ 4.19Å; A46-F130 WeakPolarHBondContact O-CE2 3.31Å; Y47-F130 HydrophobicContact CD1-CD2 4.26Å; Y47-F130 HydrophobicContact CD1-CE2 4.28Å; Y47-F130 AromaticContact CE1-CD2 3.58Å; Y47-F130 HydrophobicContact CE1-CD2 3.58Å; Y47-F130 HydrophobicContact CE1-CE2 4.04Å; Y47-F130 AromaticContact CZ-CD2 3.85Å; Y50-F130 HydrophobicContact CD2-CD2 4.11Å; Y50-F130 AromaticContact CD2-CE2 3.48Å; Y50-F130 HydrophobicContact CD2-CE2 3.48Å; Y50-F130 VanDerWaalsContact CD2-CE2 3.48Å; Y50-F130 HydrophobicContact CD2-CZ 4.01Å; Y50-F130 AromaticContact CE2-CD2 3.73Å; Y50-F130 HydrophobicContact CE2-CD2 3.73Å; Y50-F130 AromaticContact CE2-CE2 3.51Å; Y50-F130 HydrophobicContact CE2-CE2 3.51Å; Y50-F130 HydrophobicContact CE2-CG 4.41Å; Y50-F130 HydrophobicContact CE2-CZ 4.02Å; A128-F130 PolarHBondContact O-N 2.81Å; F130-A135 HydrophobicContact CZ-CB 4.19Å
131	I	98.1	Very high	96.8	Very high	65 Å²	65	69.6 Å²	69.6	33%	0.333	34%	0.343	S	S	.	.			trans	-103.7	106.5	-178.1	-55.1	179.3	0	0	0	108.8	Y50 D64 P129 K133 Y134	Y50-I131 VanDerWaalsContact CE2-O 3.29Å; Y50-I131 WeakPolarHBondContact CE2-O 3.43Å; Y50-I131 WeakPolarHBondContact OH-CA 3.39Å; Y50-I131 WeakPolarHBondContact OH-CB 3.43Å; Y50-I131 PolarHBondContact OH-N 2.87Å; Y50-I131 PolarHBondContact OH-O 2.63Å; D64-I131 HydrophobicContact CB-CD1 4.13Å; D64-I131 WeakPolarHBondContact OD2-CD1 3.23Å; P129-I131 PolarHBondContact O-N 2.79Å; I131-K133 HydrophobicContact CG2-CB 4.08Å; I131-K133 PolarHBondContact O-N 3.49Å; I131-Y134 HydrophobicContact CB-CD2 3.82Å; I131-Y134 HydrophobicContact CB-CE2 4.23Å; I131-Y134 HydrophobicContact CD1-CD2 4.33Å; I131-Y134 HydrophobicContact CD1-CE2 4.01Å; I131-Y134 HydrophobicContact CG2-CD2 3.9Å; I131-Y134 HydrophobicContact CG2-CE2 4.01Å; I131-Y134 PolarHBondContact O-N 2.77Å
132	Q	97.3	Very high	96.7	Very high	143 Å²	143	69.4 Å²	69.4	67%	0.668	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-52.1	-31.3	-175.8	-171.7	66.9	33.8	0	0	113.9	Y134 A135	Q132-Y134 PolarHBondContact O-N 3.13Å; Q132-A135 WeakPolarHBondContact O-CB 3.22Å; Q132-A135 PolarHBondContact O-N 2.75Å; Q132-A135 VanDerWaalsContact O-N 3.13Å
133	K	97.7	Very high	96.5	Very high	141 Å²	141	71 Å²	71	61%	0.613	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-56.8	-31.7	177.4	176.5	-177.6	171.4	-173.7	0	113.3	I131 W137	I131-K133 HydrophobicContact CG2-CB 4.08Å; I131-K133 PolarHBondContact O-N 3.49Å; K133-W137 HydrophobicContact CG-CZ3 4.39Å
134	Y	98	Very high	96.2	Very high	41 Å²	41	75.6 Å²	75.6	16%	0.161	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-93.5	-2.4	-178.1	-59.1	-53.6	0	0	0	113.1	Y50 G51 R63 D64 I131 Q132 W137	Y50-Y134 CarbonylContact C-O 2.93Å; Y50-Y134 VanDerWaalsContact CA-O 3.32Å; Y50-Y134 WeakPolarHBondContact CA-O 3.29Å; G51-Y134 PolarHBondContact N-O 3.37Å; R63-Y134 HydrophobicContact CB-CD1 3.77Å; R63-Y134 HydrophobicContact CB-CD2 4.22Å; R63-Y134 HydrophobicContact CB-CE1 3.73Å; R63-Y134 HydrophobicContact CB-CE2 4.22Å; R63-Y134 HydrophobicContact CB-CG 4.03Å; R63-Y134 HydrophobicContact CG-CD1 3.98Å; R63-Y134 HydrophobicContact CG-CE1 4.08Å; D64-Y134 HydrophobicContact CB-CD2 4.15Å; D64-Y134 HydrophobicContact CB-CE2 3.91Å; D64-Y134 WeakPolarHBondContact OD2-CD2 3.33Å; I131-Y134 HydrophobicContact CB-CD2 3.82Å; I131-Y134 HydrophobicContact CB-CE2 4.23Å; I131-Y134 HydrophobicContact CD1-CD2 4.33Å; I131-Y134 HydrophobicContact CD1-CE2 4.01Å; I131-Y134 HydrophobicContact CG2-CD2 3.9Å; I131-Y134 HydrophobicContact CG2-CE2 4.01Å; I131-Y134 PolarHBondContact O-N 2.77Å; Q132-Y134 PolarHBondContact O-N 3.13Å; Y134-W137 HydrophobicContact CD1-CD2 4.01Å; Y134-W137 AromaticContact CD1-CE3 3.65Å; Y134-W137 HydrophobicContact CD1-CE3 3.65Å; Y134-W137 AromaticContact CD1-CZ3 3.99Å; Y134-W137 HydrophobicContact CD1-CZ3 3.99Å; Y134-W137 HydrophobicContact CE1-CE3 4.23Å; Y134-W137 HydrophobicContact CE1-CH2 4.41Å; Y134-W137 HydrophobicContact CE1-CZ3 4.11Å; Y134-W137 VanDerWaalsContact O-CB 3.3Å; Y134-W137 WeakPolarHBondContact O-CB 3.46Å; Y134-W137 PolarHBondContact O-N 3.37Å
135	A	96.8	Very high	95.9	Very high	28 Å²	28	79.7 Å²	79.7	23%	0.231	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-69.2	133.7	168.2	0	0	0	0	0	109.7	Y50 F130 Q132 W137	Y50-A135 HydrophobicContact CD2-CB 4.38Å; F130-A135 HydrophobicContact CZ-CB 4.19Å; Q132-A135 WeakPolarHBondContact O-CB 3.22Å; Q132-A135 PolarHBondContact O-N 2.75Å; Q132-A135 VanDerWaalsContact O-N 3.13Å; A135-W137 PolarHBondContact O-N 2.85Å
136	L	95.3	Very high	95.6	Very high	125 Å²	125	84.1 Å²	84.1	65%	0.654	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	37.4	-172	-56.5	168.9	0	0	0	112.3	M49	M49-L136 HydrophobicContact CB-CD2 3.8Å; M49-L136 HydrophobicContact CE-CD2 4.45Å; M49-L136 HydrophobicContact CG-CD2 4.33Å; M49-L136 WeakPolarHBondContact O-CA 3.32Å; M49-L136 PolarHBondContact O-N 2.71Å; M49-L136 HydrophobicContact SD-CD2 3.78Å
137	W	95.4	Very high	95.4	Very high	42 Å²	42	80.9 Å²	80.9	16%	0.159	41%	0.409	C	S	.	.			trans	-64	131.2	177.4	-174.7	-97.2	0	0	0	110.2	G51 K133 Y134 A135 D139 L141	G51-W137 WeakPolarHBondContact O-CB 3.3Å; K133-W137 HydrophobicContact CG-CZ3 4.39Å; Y134-W137 HydrophobicContact CD1-CD2 4.01Å; Y134-W137 AromaticContact CD1-CE3 3.65Å; Y134-W137 HydrophobicContact CD1-CE3 3.65Å; Y134-W137 AromaticContact CD1-CZ3 3.99Å; Y134-W137 HydrophobicContact CD1-CZ3 3.99Å; Y134-W137 HydrophobicContact CE1-CE3 4.23Å; Y134-W137 HydrophobicContact CE1-CH2 4.41Å; Y134-W137 HydrophobicContact CE1-CZ3 4.11Å; Y134-W137 VanDerWaalsContact O-CB 3.3Å; Y134-W137 WeakPolarHBondContact O-CB 3.46Å; Y134-W137 PolarHBondContact O-N 3.37Å; A135-W137 PolarHBondContact O-N 2.85Å; W137-D139 PolarHBondContact O-N 2.95Å; W137-L141 HydrophobicContact CH2-CD1 4.13Å; W137-L141 HydrophobicContact CZ2-CB 3.72Å; W137-L141 HydrophobicContact CZ2-CD1 3.8Å; W137-L141 HydrophobicContact CZ2-CG 4.42Å
138	P	94.1	Very high	95.2	Very high	49 Å²	49	77.6 Å²	77.6	32%	0.318	40%	0.402	S	S	.	.			trans	-72.2	127.8	-178.8	-15.9	27.8	0	0	0	113.1	F140 L141	P138-F140 HydrophobicContact CB-CD1 3.61Å; P138-F140 HydrophobicContact CB-CE1 3.24Å; P138-F140 HydrophobicContact CB-CG 4.42Å; P138-F140 HydrophobicContact CB-CZ 3.78Å; P138-F140 HydrophobicContact CG-CE1 4.07Å; P138-F140 HydrophobicContact CG-CZ 4.24Å; P138-F140 PolarHBondContact O-N 2.96Å; P138-L141 HydrophobicContact CB-CD1 4.38Å; P138-L141 HydrophobicContact CB-CG 4.4Å; P138-L141 HydrophobicContact CG-CD1 4.06Å; P138-L141 WeakPolarHBondContact O-CB 3.46Å; P138-L141 PolarHBondContact O-N 3.49Å
139	D	91.3	Very high	95.1	Very high	96 Å²	96	79.9 Å²	79.9	51%	0.513	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-53.7	-38.3	-179.1	-59	-8.2	0	0	0	112.9	W137 L141 C142	W137-D139 PolarHBondContact O-N 2.95Å; D139-L141 PolarHBondContact O-N 3.17Å; D139-C142 WeakPolarHBondContact O-CB 3.4Å; D139-C142 PolarHBondContact O-N 3.47Å; D139-C142 PolarHBondContact O-SG 2.88Å
140	F	92.5	Very high	94.8	Very high	166 Å²	166	82.6 Å²	82.6	73%	0.728	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-62.9	-12.7	179	70.4	-97.4	0	0	0	114.3	P138	P138-F140 HydrophobicContact CB-CD1 3.61Å; P138-F140 HydrophobicContact CB-CE1 3.24Å; P138-F140 HydrophobicContact CB-CG 4.42Å; P138-F140 HydrophobicContact CB-CZ 3.78Å; P138-F140 HydrophobicContact CG-CE1 4.07Å; P138-F140 HydrophobicContact CG-CZ 4.24Å; P138-F140 PolarHBondContact O-N 2.96Å
141	L	95.4	Very high	94.3	Very high	77 Å²	77	84.9 Å²	84.9	40%	0.403	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-92.5	0	173.8	-63.1	179.8	0	0	0	113	R63 W137 P138 D139	R63-L141 PolarHBondContact NH1-O 3.06Å; W137-L141 HydrophobicContact CH2-CD1 4.13Å; W137-L141 HydrophobicContact CZ2-CB 3.72Å; W137-L141 HydrophobicContact CZ2-CD1 3.8Å; W137-L141 HydrophobicContact CZ2-CG 4.42Å; P138-L141 HydrophobicContact CB-CD1 4.38Å; P138-L141 HydrophobicContact CB-CG 4.4Å; P138-L141 HydrophobicContact CG-CD1 4.06Å; P138-L141 WeakPolarHBondContact O-CB 3.46Å; P138-L141 PolarHBondContact O-N 3.49Å; D139-L141 PolarHBondContact O-N 3.17Å
142	C	95.3	Very high	93.8	Very high	4 Å²	4	87 Å²	87	3%	0.027	45%	0.445	C	S	.	.	S	Bend	trans	-77.1	-25.7	-179.1	-67.9	0	0	0	0	113.1	C52 E59 G60 W61 R63 D139	C52-C142 WeakPolarHBondContact CA-SG 3.38Å; C52-C142 HydrophobicContact CB-CB 3.74Å; C52-C142 WeakPolarHBondContact CB-SG 3.36Å; C52-C142 WeakPolarHBondContact SG-CA 3.41Å; C52-C142 WeakPolarHBondContact SG-CB 3.01Å; C52-C142 CovalentContact SG-SG 2.03Å; C52-C142 PolarHBondContact SG-SG 2.72Å; E59-C142 HydrophobicContact CG-CB 4.18Å; E59-C142 VanDerWaalsContact O-CB 3.29Å; E59-C142 WeakPolarHBondContact O-CB 2.95Å; G60-C142 VanDerWaalsContact CA-O 3.3Å; G60-C142 WeakPolarHBondContact CA-O 2.95Å; W61-C142 PolarHBondContact N-O 2.04Å; R63-C142 PolarHBondContact NH2-O 2.69Å; D139-C142 WeakPolarHBondContact O-CB 3.4Å; D139-C142 PolarHBondContact O-N 3.47Å; D139-C142 PolarHBondContact O-SG 2.88Å
143	G	93.9	Very high	93.6	Very high	34 Å²	34	84.3 Å²	84.3	35%	0.351	43%	0.434	S	S	.	.			trans	76.6	-169.2	-177.7	0	0	0	0	0	111.9	G60	G60-G143 VanDerWaalsContact CA-O 3.22Å; G60-G143 WeakPolarHBondContact CA-O 3.08Å; G60-G143 PolarHBondContact N-O 2.97Å
144	H	92.6	Very high	93.4	Very high	165 Å²	165	81.3 Å²	81.3	76%	0.764	43%	0.425	S	S	*	.	S	Bend	trans	-118.3	-4.1	-170.2	-56.6	-59.7	0	0	0	114.4	H146	H144-H146 VanDerWaalsContact C-CD2 3.45Å; H144-H146 PolarHBondContact O-CD2 2.95Å
145	D	93	Very high	93.1	Very high	132 Å²	132	83.5 Å²	83.5	71%	0.706	44%	0.439	S	S	*	.			trans	-88	116.1	178.1	-65.8	-33.4	0	0	0	109.7	G60 W61	G60-D145 CarbonylContact C-O 3.59Å; G60-D145 WeakPolarHBondContact CA-O 3.22Å; W61-D145 PolarHBondContact N-O 3.07Å
146	H	91.6	Very high	92.9	Very high	98 Å²	98	86.8 Å²	86.8	45%	0.454	45%	0.452	S	S	.	.			trans	-108.5	132.4	-173.7	-63	-155.5	0	0	0	109.9	G60 H144	G60-H146 PolarHBondContact N-CD2 3.5Å; G60-H146 PolarHBondContact N-NE2 2.92Å; H144-H146 VanDerWaalsContact C-CD2 3.45Å; H144-H146 PolarHBondContact O-CD2 2.95Å
147	P	93.9	Very high	92.8	Very high	17 Å²	17	84.4 Å²	84.4	11%	0.11	44%	0.439	C	S	.	.			trans	-65.4	155.2	164.7	28.4	-33.5	0	0	0	111.6	Y53 G60 W61 P62 W68 H71 I151	Y53-P147 WeakPolarHBondContact OH-CD 3.3Å; G60-P147 WeakPolarHBondContact O-CD 3.29Å; W61-P147 HydrophobicContact CE3-CB 4.43Å; W61-P147 HydrophobicContact CE3-CG 4.43Å; W61-P147 HydrophobicContact CH2-CB 4.21Å; W61-P147 HydrophobicContact CZ3-CB 3.97Å; W61-P147 HydrophobicContact CZ3-CG 4.45Å; P62-P147 HydrophobicContact CG-CG 3.99Å; W68-P147 HydrophobicContact CH2-CB 3.57Å; W68-P147 HydrophobicContact CH2-CG 3.72Å; W68-P147 HydrophobicContact CZ3-CB 3.65Å; W68-P147 HydrophobicContact CZ3-CG 3.65Å; H71-P147 PolarHBondContact NE2-O 2.74Å; P147-I151 HydrophobicContact CB-CD1 4.11Å
148	T	94.4	Very high	92.6	Very high	82 Å²	82	87.2 Å²	87.2	50%	0.503	46%	0.457	S	S	.	.			trans	-93.1	152.7	177.2	45.7	0	0	0	0	111.3	N150 I151	T148-N150 VanDerWaalsContact CB-OD1 3.25Å; T148-N150 WeakPolarHBondContact CB-OD1 3.4Å; T148-N150 PolarHBondContact O-N 3.09Å; T148-N150 PolarHBondContact OG1-OD1 2.96Å; T148-I151 WeakPolarHBondContact O-CD1 3.34Å; T148-I151 VanDerWaalsContact O-CG1 3.32Å; T148-I151 WeakPolarHBondContact O-CG1 3.48Å
149	C	94.8	Very high	92.5	Very high	61 Å²	61	89.9 Å²	89.9	41%	0.412	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-70.2	-10.5	178.4	-66.3	0	0	0	0	115.1	C75 I151	C75-C149 VanDerWaalsContact CA-SG 3.56Å; C75-C149 HydrophobicContact CB-CB 3.61Å; C75-C149 WeakPolarHBondContact CB-SG 3.25Å; C75-C149 WeakPolarHBondContact SG-CA 3.12Å; C75-C149 WeakPolarHBondContact SG-CB 3.27Å; C75-C149 CovalentContact SG-SG 2.03Å; C75-C149 PolarHBondContact SG-SG 3.02Å; C149-I151 PolarHBondContact O-N 3.22Å
150	N	92.1	Very high	92.6	Very high	131 Å²	131	89.5 Å²	89.5	70%	0.701	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-76.5	2.7	-178.8	66.8	-10.5	0	0	0	114.4	T148 Y152	T148-N150 VanDerWaalsContact CB-OD1 3.25Å; T148-N150 WeakPolarHBondContact CB-OD1 3.4Å; T148-N150 PolarHBondContact O-N 3.09Å; T148-N150 PolarHBondContact OG1-OD1 2.96Å; N150-Y152 VanDerWaalsContact C-N 3.34Å
151	I	87.7	Confident	92.6	Very high	86 Å²	86	83.1 Å²	83.1	44%	0.441	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-90	5.1	-178.1	69	-175.9	0	0	0	113.3	W68 P147 T148 C149	W68-I151 HydrophobicContact CE3-CD1 4.21Å; W68-I151 HydrophobicContact CH2-CD1 4.02Å; W68-I151 HydrophobicContact CZ3-CD1 3.38Å; P147-I151 HydrophobicContact CB-CD1 4.11Å; T148-I151 WeakPolarHBondContact O-CD1 3.34Å; T148-I151 VanDerWaalsContact O-CG1 3.32Å; T148-I151 WeakPolarHBondContact O-CG1 3.48Å; C149-I151 PolarHBondContact O-N 3.22Å
152	Y	86.5	Confident	92.3	Very high	110 Å²	110	83.6 Å²	83.6	43%	0.431	45%	0.445	S	S	.	.			trans	-119.2	0	-165.6	-70.8	-52.5	0	0	0	117	W68 H71 K72 C75 N150	W68-Y152 PolarHBondContact O-OH 3.19Å; H71-Y152 WeakPolarHBondContact CB-OH 3.48Å; H71-Y152 AromaticContact CE1-CE2 3.55Å; H71-Y152 AromaticContact ND1-CE2 3.26Å; H71-Y152 VanDerWaalsContact ND1-CE2 3.26Å; H71-Y152 WeakPolarHBondContact ND1-CE2 3.4Å; H71-Y152 AromaticContact ND1-CZ 3.36Å; H71-Y152 PolarHBondContact ND1-OH 3.32Å; K72-Y152 VanDerWaalsContact CA-CZ 3.49Å; K72-Y152 HydrophobicContact CB-CD1 4Å; K72-Y152 HydrophobicContact CB-CD2 4.14Å; K72-Y152 HydrophobicContact CB-CE1 3.59Å; K72-Y152 HydrophobicContact CB-CE2 3.77Å; K72-Y152 HydrophobicContact CB-CG 4.22Å; K72-Y152 VanDerWaalsContact CB-CZ 3.44Å; K72-Y152 HydrophobicContact CD-CD1 3.56Å; K72-Y152 HydrophobicContact CD-CE1 3.94Å; K72-Y152 HydrophobicContact CD-CG 3.91Å; K72-Y152 HydrophobicContact CG-CD1 3.75Å; K72-Y152 HydrophobicContact CG-CD2 3.95Å; K72-Y152 HydrophobicContact CG-CE1 3.91Å; K72-Y152 HydrophobicContact CG-CE2 4.12Å; K72-Y152 HydrophobicContact CG-CG 3.74Å; K72-Y152 PolarHBondContact N-OH 3.47Å; K72-Y152 PolarHBondContact NZ-OXT 2.92Å; C75-Y152 HydrophobicContact CB-CD2 4.38Å; C75-Y152 HydrophobicContact CB-CE2 4.49Å; N150-Y152 VanDerWaalsContact C-N 3.34Å

Retrieved 152 of 152 residues in 279.4 ms (Link to these results)

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