A0A5K4F416_SCHMA Loading...

Trafficking protein particle complex subunit 5

May play a role in vesicular transport from endoplasmic reticulum to Golgi.

AlphaFold DB , UniProt , Accession A0A5K4F416, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 193 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	37.6	Very low	57.1	Low	204 Å²	204	113.4 Å²	113.4	100%	1.005	63%	0.631	S	S	*	*				0	106.3	0	-79.2	168.2	174.7	0	0	107.8	Y3	M1-Y3 HydrophobicContact CB-CD2 4.41Å; M1-Y3 HydrophobicContact CB-CE2 3.98Å; M1-Y3 PolarHBondContact O-N 3.45Å
2	N	42	Very low	58	Low	176 Å²	176	113.3 Å²	113.3	94%	0.941	63%	0.626	S	S	*	*			trans	-78.5	96.8	171.5	-100.9	-19.9	0	0	0	107.6	G4	N2-G4 PolarHBondContact O-N 2.86Å; N2-G4 VanDerWaalsContact O-N 3.11Å
3	Y	51.5	Low	58.7	Low	196 Å²	196	116.5 Å²	116.5	77%	0.769	64%	0.64	S	S	*	*			trans	-66.1	107.1	166.8	-67.4	-82.1	0	0	0	107	M1 N5	M1-Y3 HydrophobicContact CB-CD2 4.41Å; M1-Y3 HydrophobicContact CB-CE2 3.98Å; M1-Y3 PolarHBondContact O-N 3.45Å; Y3-N5 PolarHBondContact O-N 3.22Å
4	G	57.1	Low	59.4	Low	68 Å²	68	119.4 Å²	119.4	70%	0.701	65%	0.647	S	S	*	*			trans	-52.8	130.6	174.1	0	0	0	0	0	109.6	N2	N2-G4 PolarHBondContact O-N 2.86Å; N2-G4 VanDerWaalsContact O-N 3.11Å
5	N	64.2	Low	59.7	Low	88 Å²	88	120.3 Å²	120.3	47%	0.471	64%	0.643	S	S	.	*			trans	-50.9	122	-178.3	-177.4	3.6	0	0	0	110.5	Y3 K7 N8	Y3-N5 PolarHBondContact O-N 3.22Å; N5-K7 PolarHBondContact O-N 3.17Å; N5-K7 PolarHBondContact OD1-N 3.15Å; N5-N8 WeakPolarHBondContact O-CB 3.47Å; N5-N8 PolarHBondContact O-N 3.3Å
6	P	60.4	Low	60	Low	97 Å²	97	119.4 Å²	119.4	63%	0.63	64%	0.638	S	S	*	*	H	α-helix	trans	-60.1	-20.2	-175.8	20.4	-31.9	0	0	0	113.9	N8 S9 A10	P6-N8 VanDerWaalsContact C-N 3.27Å; P6-N8 PolarHBondContact O-N 3.43Å; P6-S9 PolarHBondContact O-N 2.68Å; P6-S9 PolarHBondContact O-OG 3.04Å; P6-A10 PolarHBondContact O-N 3.01Å
7	K	62.5	Low	60.1	Low	162 Å²	162	120.2 Å²	120.2	70%	0.704	64%	0.641	S	S	*	*	H	α-helix	trans	-64	-30.7	172.2	-68.6	-172.8	174.9	-176.3	0	113	N5 A11	N5-K7 PolarHBondContact O-N 3.17Å; N5-K7 PolarHBondContact OD1-N 3.15Å; K7-A11 WeakPolarHBondContact O-CB 3.44Å; K7-A11 PolarHBondContact O-N 3.06Å
8	N	59.1	Low	60.3	Low	108 Å²	108	117.9 Å²	117.9	58%	0.578	63%	0.633	S	S	*	*	H	α-helix	trans	-77.6	-34.4	-179.5	-74.4	-5.6	0	0	0	112.4	N5 P6 A11 I12	N5-N8 WeakPolarHBondContact O-CB 3.47Å; N5-N8 PolarHBondContact O-N 3.3Å; P6-N8 VanDerWaalsContact C-N 3.27Å; P6-N8 PolarHBondContact O-N 3.43Å; N8-A11 PolarHBondContact O-N 3.26Å; N8-I12 WeakPolarHBondContact O-CG1 3.5Å; N8-I12 PolarHBondContact O-N 3.32Å; N8-I12 VanDerWaalsContact O-N 3.17Å
9	S	58.5	Low	60	Low	67 Å²	67	120.1 Å²	120.1	47%	0.469	64%	0.635	S	S	.	*	H	α-helix	trans	-69.3	-41.4	176.1	43.7	0	0	0	0	111.5	P6 A11 I12 L13	P6-S9 PolarHBondContact O-N 2.68Å; P6-S9 PolarHBondContact O-OG 3.04Å; S9-A11 VanDerWaalsContact C-N 3.33Å; S9-A11 PolarHBondContact O-N 2.98Å; S9-I12 PolarHBondContact O-N 3.33Å; S9-L13 PolarHBondContact O-N 3.4Å
10	A	65.7	Low	59.9	Low	42 Å²	42	121.5 Å²	121.5	35%	0.347	64%	0.642	S	S	.	*	H	α-helix	trans	-57.4	-46.4	170.8	0	0	0	0	0	111.3	P6 I12 L13 E14	P6-A10 PolarHBondContact O-N 3.01Å; A10-I12 VanDerWaalsContact C-N 3.25Å; A10-I12 PolarHBondContact O-N 3.14Å; A10-L13 PolarHBondContact O-N 2.91Å; A10-L13 VanDerWaalsContact O-N 3.1Å; A10-E14 VanDerWaalsContact O-CG 3.32Å; A10-E14 WeakPolarHBondContact O-CG 3.32Å; A10-E14 PolarHBondContact O-N 3.11Å
11	A	69.5	Low	59.9	Low	39 Å²	39	122.1 Å²	122.1	32%	0.322	64%	0.636	S	S	.	*	H	α-helix	trans	-63.2	-24.4	179	0	0	0	0	0	114.5	K7 N8 S9 K15	K7-A11 WeakPolarHBondContact O-CB 3.44Å; K7-A11 PolarHBondContact O-N 3.06Å; N8-A11 PolarHBondContact O-N 3.26Å; S9-A11 VanDerWaalsContact C-N 3.33Å; S9-A11 PolarHBondContact O-N 2.98Å; A11-K15 WeakPolarHBondContact O-CG 3.44Å; A11-K15 PolarHBondContact O-N 3.12Å
12	I	67.6	Low	61.2	Low	113 Å²	113	115.7 Å²	115.7	58%	0.579	62%	0.622	S	S	*	*	H	α-helix	trans	-75.7	-39.8	174.7	-68.8	164.7	0	0	0	110.6	N8 S9 A10 E14 K15	N8-I12 WeakPolarHBondContact O-CG1 3.5Å; N8-I12 PolarHBondContact O-N 3.32Å; N8-I12 VanDerWaalsContact O-N 3.17Å; S9-I12 PolarHBondContact O-N 3.33Å; A10-I12 VanDerWaalsContact C-N 3.25Å; A10-I12 PolarHBondContact O-N 3.14Å; I12-E14 VanDerWaalsContact C-N 3.32Å; I12-K15 PolarHBondContact O-N 3.23Å
13	L	67.2	Low	62.7	Low	154 Å²	154	115.8 Å²	115.8	81%	0.806	62%	0.617	S	S	*	*	H	α-helix	trans	-72.1	-28.1	177.1	-61.5	175.9	0	0	0	112.3	S9 A10 K15	S9-L13 PolarHBondContact O-N 3.4Å; A10-L13 PolarHBondContact O-N 2.91Å; A10-L13 VanDerWaalsContact O-N 3.1Å; L13-K15 VanDerWaalsContact C-N 3.32Å
14	E	68.3	Low	64.1	Low	157 Å²	157	111.7 Å²	111.7	73%	0.734	61%	0.612	S	S	*	*	S	Bend	trans	-76.9	-16.5	175.1	-71.8	173.6	-169.4	0	0	113.3	A10 I12 N16	A10-E14 VanDerWaalsContact O-CG 3.32Å; A10-E14 WeakPolarHBondContact O-CG 3.32Å; A10-E14 PolarHBondContact O-N 3.11Å; I12-E14 VanDerWaalsContact C-N 3.32Å; E14-N16 PolarHBondContact O-N 3.35Å
15	K	65.2	Low	65.6	Low	134 Å²	134	113.2 Å²	113.2	58%	0.583	60%	0.604	S	S	*	*	S	Bend	trans	-69.3	126.1	174.6	-79.9	170.6	-173	-179.8	0	109	A11 I12 L13 L17	A11-K15 WeakPolarHBondContact O-CG 3.44Å; A11-K15 PolarHBondContact O-N 3.12Å; I12-K15 PolarHBondContact O-N 3.23Å; L13-K15 VanDerWaalsContact C-N 3.32Å; K15-L17 PolarHBondContact O-N 2.91Å; K15-L17 VanDerWaalsContact O-N 3.13Å
16	N	63.9	Low	66.8	Low	106 Å²	106	113 Å²	113	57%	0.567	60%	0.602	S	S	*	*			trans	-54.9	122.2	175.2	-160.1	-30.8	0	0	0	109.7	E14 T18 K19	E14-N16 PolarHBondContact O-N 3.35Å; N16-T18 PolarHBondContact ND2-OG1 3.28Å; N16-T18 PolarHBondContact O-N 3.49Å; N16-T18 WeakPolarHBondContact OD1-CB 3.27Å; N16-T18 VanDerWaalsContact OD1-CG2 3.28Å; N16-T18 WeakPolarHBondContact OD1-CG2 3.46Å; N16-T18 PolarHBondContact OD1-N 2.55Å; N16-T18 VanDerWaalsContact OD1-N 3.13Å; N16-T18 PolarHBondContact OD1-OG1 2.86Å; N16-K19 WeakPolarHBondContact O-CB 3.35Å; N16-K19 PolarHBondContact O-N 3.02Å
17	L	61.4	Low	68.2	Low	133 Å²	133	111.4 Å²	111.4	70%	0.696	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-16.3	176.9	-66.4	173.1	0	0	0	112.3	K15 K19 L71	K15-L17 PolarHBondContact O-N 2.91Å; K15-L17 VanDerWaalsContact O-N 3.13Å; L17-K19 VanDerWaalsContact C-N 3.28Å; L17-L71 HydrophobicContact CB-CD2 4.11Å; L17-L71 HydrophobicContact CD1-CD2 4.16Å
18	T	63.4	Low	69.7	Low	79 Å²	79	106.9 Å²	106.9	49%	0.485	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.9	-13.7	172.4	64.9	0	0	0	0	113.3	N16 L20	N16-T18 PolarHBondContact ND2-OG1 3.28Å; N16-T18 PolarHBondContact O-N 3.49Å; N16-T18 WeakPolarHBondContact OD1-CB 3.27Å; N16-T18 VanDerWaalsContact OD1-CG2 3.28Å; N16-T18 WeakPolarHBondContact OD1-CG2 3.46Å; N16-T18 PolarHBondContact OD1-N 2.55Å; N16-T18 VanDerWaalsContact OD1-N 3.13Å; N16-T18 PolarHBondContact OD1-OG1 2.86Å; T18-L20 PolarHBondContact O-N 3.11Å
19	K	55.7	Low	71.2	Confident	158 Å²	158	105 Å²	105	69%	0.687	57%	0.572	S	S	*	*			trans	-71.6	104.2	-173.3	-156.6	174.5	-173.5	177	0	111.7	N16 L17	N16-K19 WeakPolarHBondContact O-CB 3.35Å; N16-K19 PolarHBondContact O-N 3.02Å; L17-K19 VanDerWaalsContact C-N 3.28Å
20	L	57.4	Low	72.8	Confident	148 Å²	148	102.3 Å²	102.3	78%	0.775	55%	0.554	S	S	*	*			trans	13	125.4	158.9	-66.8	165.5	0	0	0	120.2	T18 G22	T18-L20 PolarHBondContact O-N 3.11Å; L20-G22 PolarHBondContact O-N 2.67Å
21	R	60.8	Low	74.1	Confident	135 Å²	135	108.4 Å²	108.4	51%	0.509	57%	0.57	S	S	.	*			trans	1.6	97.7	142.3	-62.9	175.1	177.2	-175.6	-9.8	114.3	E23 K95 N99	R21-E23 PolarHBondContact O-N 3.36Å; R21-K95 PolarHBondContact NH2-O 2.88Å; R21-N99 PolarHBondContact NH1-OD1 2.89Å; R21-N99 PolarHBondContact NH2-OD1 3.35Å
22	G	64.2	Low	75.2	Confident	69 Å²	69	112.2 Å²	112.2	71%	0.711	58%	0.584	S	S	*	*			trans	-67.2	109.6	150.7	0	0	0	0	0	106.9	L20 V24	L20-G22 PolarHBondContact O-N 2.67Å; G22-V24 PolarHBondContact O-N 3.48Å; G22-V24 VanDerWaalsContact O-N 3.08Å
23	E	72.7	Confident	76.5	Confident	179 Å²	179	107.2 Å²	107.2	84%	0.836	56%	0.558	S	S	*	*			trans	-66.1	108.6	167.8	-70.8	-175	178.2	0	0	107.3	R21	R21-E23 PolarHBondContact O-N 3.36Å
24	V	81.9	Confident	77.8	Confident	110 Å²	110	101.5 Å²	101.5	67%	0.667	53%	0.529	S	S	*	.			trans	-79.2	134.6	172.6	-179.7	0	0	0	0	107.3	G22 I26	G22-V24 PolarHBondContact O-N 3.48Å; G22-V24 VanDerWaalsContact O-N 3.08Å; V24-I26 PolarHBondContact O-N 3.02Å
25	N	89	Confident	79	Confident	100 Å²	100	98.6 Å²	98.6	54%	0.535	52%	0.516	S	S	.	.			trans	-57.7	124.9	173.8	-177.6	-74.3	0	0	0	109.8	A27 S28 F29	N25-A27 PolarHBondContact O-N 3.22Å; N25-A27 WeakPolarHBondContact OD1-CA 3.39Å; N25-A27 WeakPolarHBondContact OD1-CB 3.37Å; N25-A27 PolarHBondContact OD1-N 3.45Å; N25-S28 WeakPolarHBondContact O-CB 3.18Å; N25-S28 PolarHBondContact O-N 3.05Å; N25-S28 VanDerWaalsContact O-N 3.08Å; N25-S28 PolarHBondContact OD1-N 3.29Å; N25-F29 PolarHBondContact O-N 2.94Å; N25-F29 VanDerWaalsContact O-N 3.13Å
26	I	88	Confident	80.5	Confident	84 Å²	84	94.2 Å²	94.2	43%	0.431	50%	0.498	S	S	.	.	H	α-helix	trans	-61	-31.3	-174.9	-170.1	60.7	0	0	0	112.9	V24 F29 A30 V123 F127	V24-I26 PolarHBondContact O-N 3.02Å; I26-F29 HydrophobicContact CD1-CD1 4.05Å; I26-F29 PolarHBondContact O-N 3.42Å; I26-A30 VanDerWaalsContact O-CB 3.31Å; I26-A30 WeakPolarHBondContact O-CB 3.36Å; I26-A30 PolarHBondContact O-N 2.77Å; I26-V123 HydrophobicContact CD1-CG1 3.98Å; I26-F127 HydrophobicContact CD1-CE2 3.89Å; I26-F127 HydrophobicContact CD1-CZ 4.06Å; I26-F127 HydrophobicContact CG1-CE1 4.42Å; I26-F127 HydrophobicContact CG1-CE2 3.79Å; I26-F127 HydrophobicContact CG1-CZ 3.43Å; I26-F127 VanDerWaalsContact CG1-CZ 3.43Å
27	A	90.8	Very high	81.9	Confident	62 Å²	62	89.1 Å²	89.1	51%	0.512	47%	0.471	S	S	.	.	H	α-helix	trans	-70.8	-36.7	177.6	0	0	0	0	0	111.7	N25 A30 Y31	N25-A27 PolarHBondContact O-N 3.22Å; N25-A27 WeakPolarHBondContact OD1-CA 3.39Å; N25-A27 WeakPolarHBondContact OD1-CB 3.37Å; N25-A27 PolarHBondContact OD1-N 3.45Å; A27-A30 PolarHBondContact O-N 3.03Å; A27-Y31 WeakPolarHBondContact O-CB 3.27Å; A27-Y31 PolarHBondContact O-N 3.14Å
28	S	92.6	Very high	83.5	Confident	67 Å²	67	87.5 Å²	87.5	47%	0.469	46%	0.459	S	S	.	.	H	α-helix	trans	-64.9	-43.3	173.8	-56.2	0	0	0	0	111.5	N25 Y31 L32	N25-S28 WeakPolarHBondContact O-CB 3.18Å; N25-S28 PolarHBondContact O-N 3.05Å; N25-S28 VanDerWaalsContact O-N 3.08Å; N25-S28 PolarHBondContact OD1-N 3.29Å; S28-Y31 PolarHBondContact O-N 3.22Å; S28-L32 WeakPolarHBondContact O-CG 3.46Å; S28-L32 PolarHBondContact O-N 3.28Å
29	F	90.7	Very high	85	Confident	68 Å²	68	90.7 Å²	90.7	30%	0.298	46%	0.463	S	S	.	.	H	α-helix	trans	-59.3	-50	172.4	171.1	-97.7	0	0	0	111.2	N25 I26 Y31 L32 F33 M124	N25-F29 PolarHBondContact O-N 2.94Å; N25-F29 VanDerWaalsContact O-N 3.13Å; I26-F29 HydrophobicContact CD1-CD1 4.05Å; I26-F29 PolarHBondContact O-N 3.42Å; F29-Y31 VanDerWaalsContact C-N 3.33Å; F29-Y31 PolarHBondContact O-N 3.21Å; F29-L32 PolarHBondContact O-N 3.11Å; F29-F33 HydrophobicContact CE1-CB 4.37Å; F29-F33 HydrophobicContact CZ-CB 4.38Å; F29-F33 HydrophobicContact CZ-CG 4.41Å; F29-F33 VanDerWaalsContact O-CB 3.29Å; F29-F33 WeakPolarHBondContact O-CB 3.47Å; F29-F33 PolarHBondContact O-N 3.08Å; F29-M124 HydrophobicContact CE1-CE 4.18Å; F29-M124 HydrophobicContact CE1-SD 4.02Å; F29-M124 HydrophobicContact CZ-CE 3.63Å; F29-M124 HydrophobicContact CZ-SD 3.69Å
30	A	92.2	Very high	86.8	Confident	11 Å²	11	83.1 Å²	83.1	9%	0.091	43%	0.43	C	S	.	.	H	α-helix	trans	-58.2	-43.9	-179.6	0	0	0	0	0	111.9	I26 A27 F33 V34 F127	I26-A30 VanDerWaalsContact O-CB 3.31Å; I26-A30 WeakPolarHBondContact O-CB 3.36Å; I26-A30 PolarHBondContact O-N 2.77Å; A27-A30 PolarHBondContact O-N 3.03Å; A30-F33 PolarHBondContact O-N 2.62Å; A30-V34 WeakPolarHBondContact O-CB 3.41Å; A30-V34 WeakPolarHBondContact O-CG2 3.45Å; A30-V34 PolarHBondContact O-N 2.91Å; A30-F127 HydrophobicContact CB-CB 3.97Å; A30-F127 HydrophobicContact CB-CD1 4Å; A30-F127 HydrophobicContact CB-CD2 3.83Å; A30-F127 HydrophobicContact CB-CE2 4.36Å; A30-F127 HydrophobicContact CB-CG 3.64Å
31	Y	92.8	Very high	88.5	Confident	170 Å²	170	78.2 Å²	78.2	67%	0.667	40%	0.404	S	S	*	.	H	α-helix	trans	-60.6	-48.1	178.4	-178.6	-95.8	0	0	0	112.5	A27 S28 F29 F33 V34 E35	A27-Y31 WeakPolarHBondContact O-CB 3.27Å; A27-Y31 PolarHBondContact O-N 3.14Å; S28-Y31 PolarHBondContact O-N 3.22Å; F29-Y31 VanDerWaalsContact C-N 3.33Å; F29-Y31 PolarHBondContact O-N 3.21Å; Y31-F33 VanDerWaalsContact C-N 3.34Å; Y31-V34 PolarHBondContact O-N 3.45Å; Y31-E35 PolarHBondContact O-N 3.33Å
32	L	93.9	Very high	90.1	Very high	119 Å²	119	80 Å²	80	62%	0.623	41%	0.41	S	S	*	.	H	α-helix	trans	-65.9	-39.2	178	-67.4	175	0	0	0	111.6	S28 F29 E35 L36	S28-L32 WeakPolarHBondContact O-CG 3.46Å; S28-L32 PolarHBondContact O-N 3.28Å; F29-L32 PolarHBondContact O-N 3.11Å; L32-E35 PolarHBondContact O-N 2.79Å; L32-L36 PolarHBondContact O-N 2.9Å
33	F	94.4	Very high	91.3	Very high	9 Å²	9	84 Å²	84	4%	0.039	42%	0.415	C	S	.	.	H	α-helix	trans	-68.1	-39	179.2	-172.2	-110.4	0	0	0	112	F29 A30 Y31 E35 L36 V37 M124 I128 V144 F147	F29-F33 HydrophobicContact CE1-CB 4.37Å; F29-F33 HydrophobicContact CZ-CB 4.38Å; F29-F33 HydrophobicContact CZ-CG 4.41Å; F29-F33 VanDerWaalsContact O-CB 3.29Å; F29-F33 WeakPolarHBondContact O-CB 3.47Å; F29-F33 PolarHBondContact O-N 3.08Å; A30-F33 PolarHBondContact O-N 2.62Å; Y31-F33 VanDerWaalsContact C-N 3.34Å; F33-E35 VanDerWaalsContact C-N 3.26Å; F33-E35 PolarHBondContact O-N 2.91Å; F33-L36 HydrophobicContact CD2-CD2 4.04Å; F33-L36 HydrophobicContact CE2-CD2 4.09Å; F33-L36 WeakPolarHBondContact O-CB 3.42Å; F33-L36 PolarHBondContact O-N 2.81Å; F33-V37 HydrophobicContact CD1-CG2 4.24Å; F33-V37 HydrophobicContact CE1-CG2 3.77Å; F33-V37 HydrophobicContact CE2-CG2 4.39Å; F33-V37 HydrophobicContact CZ-CG2 3.84Å; F33-V37 WeakPolarHBondContact O-CG2 3.44Å; F33-V37 PolarHBondContact O-N 3.41Å; F33-M124 HydrophobicContact CD1-CE 3.67Å; F33-M124 HydrophobicContact CD2-CE 3.43Å; F33-M124 VanDerWaalsContact CD2-CE 3.43Å; F33-M124 HydrophobicContact CE1-CB 4.18Å; F33-M124 HydrophobicContact CE1-CE 3.35Å; F33-M124 HydrophobicContact CE2-CE 3.09Å; F33-M124 HydrophobicContact CG-CE 3.72Å; F33-M124 HydrophobicContact CZ-CB 4.44Å; F33-M124 HydrophobicContact CZ-CE 3.07Å; F33-I128 HydrophobicContact CD1-CD1 3.46Å; F33-I128 VanDerWaalsContact CD1-CD1 3.46Å; F33-I128 HydrophobicContact CE1-CD1 3.73Å; F33-I128 HydrophobicContact CG-CD1 4.48Å; F33-V144 HydrophobicContact CE1-CB 3.96Å; F33-V144 HydrophobicContact CE1-CG2 3.93Å; F33-V144 HydrophobicContact CZ-CB 4.13Å; F33-F147 HydrophobicContact CE2-CB 3.98Å; F33-F147 HydrophobicContact CE2-CD1 4.14Å; F33-F147 AromaticContact CE2-CD2 3.92Å; F33-F147 HydrophobicContact CE2-CD2 3.92Å; F33-F147 HydrophobicContact CE2-CE2 4.38Å; F33-F147 AromaticContact CE2-CG 3.76Å; F33-F147 HydrophobicContact CE2-CG 3.76Å; F33-F147 HydrophobicContact CZ-CB 4.01Å; F33-F147 HydrophobicContact CZ-CG 4.27Å
34	V	94.1	Very high	92.2	Very high	33 Å²	33	76.4 Å²	76.4	20%	0.2	38%	0.381	C	S	.	.	H	α-helix	trans	-56.2	-43.4	171.7	170.8	0	0	0	0	110.8	A30 Y31 V37 K38 I128	A30-V34 WeakPolarHBondContact O-CB 3.41Å; A30-V34 WeakPolarHBondContact O-CG2 3.45Å; A30-V34 PolarHBondContact O-N 2.91Å; Y31-V34 PolarHBondContact O-N 3.45Å; V34-V37 PolarHBondContact O-N 2.97Å; V34-K38 HydrophobicContact CG1-CD 4.25Å; V34-K38 WeakPolarHBondContact O-CG 3.32Å; V34-K38 PolarHBondContact O-N 2.99Å; V34-I128 HydrophobicContact CB-CD1 4.22Å; V34-I128 HydrophobicContact CB-CG1 4.48Å; V34-I128 HydrophobicContact CG2-CD1 3.71Å; V34-I128 HydrophobicContact CG2-CG1 3.56Å
35	E	94.7	Very high	92.3	Very high	96 Å²	96	76.4 Å²	76.4	45%	0.449	39%	0.386	S	S	.	.	H	α-helix	trans	-69.7	-35.6	179.8	-159.1	60	-160.4	0	0	112.2	Y31 L32 F33 V37 K38 Y39	Y31-E35 PolarHBondContact O-N 3.33Å; L32-E35 PolarHBondContact O-N 2.79Å; F33-E35 VanDerWaalsContact C-N 3.26Å; F33-E35 PolarHBondContact O-N 2.91Å; E35-V37 VanDerWaalsContact C-N 3.33Å; E35-V37 PolarHBondContact O-N 3.31Å; E35-K38 PolarHBondContact O-N 2.72Å; E35-K38 WeakPolarHBondContact OE2-CD 3.38Å; E35-K38 IonicContact OE2-NZ 3.56Å; E35-Y39 VanDerWaalsContact O-CB 3.32Å; E35-Y39 WeakPolarHBondContact O-CB 3.4Å; E35-Y39 PolarHBondContact O-N 2.99Å
36	L	95.2	Very high	92.3	Very high	42 Å²	42	73.1 Å²	73.1	22%	0.22	37%	0.371	C	S	.	.	H	α-helix	trans	-61.3	-41.2	171.2	-173.6	69.2	0	0	0	112	L32 F33 Y39 S40 F57 F147	L32-L36 PolarHBondContact O-N 2.9Å; F33-L36 HydrophobicContact CD2-CD2 4.04Å; F33-L36 HydrophobicContact CE2-CD2 4.09Å; F33-L36 WeakPolarHBondContact O-CB 3.42Å; F33-L36 PolarHBondContact O-N 2.81Å; L36-Y39 PolarHBondContact O-N 2.9Å; L36-S40 WeakPolarHBondContact O-CB 3.49Å; L36-S40 PolarHBondContact O-N 2.86Å; L36-S40 PolarHBondContact O-OG 3.05Å; L36-F57 HydrophobicContact CD1-CD1 3.94Å; L36-F57 HydrophobicContact CD1-CD2 3.72Å; L36-F57 HydrophobicContact CD1-CE1 3.84Å; L36-F57 HydrophobicContact CD1-CE2 3.62Å; L36-F57 HydrophobicContact CD1-CG 3.89Å; L36-F57 HydrophobicContact CD1-CZ 3.67Å; L36-F57 HydrophobicContact CD2-CB 4.27Å; L36-F57 HydrophobicContact CD2-CD2 4.34Å; L36-F57 HydrophobicContact CD2-CG 4.27Å; L36-F57 HydrophobicContact CG-CD2 4.12Å; L36-F57 HydrophobicContact CG-CE2 4.33Å; L36-F57 HydrophobicContact CG-CG 4.43Å; L36-F147 HydrophobicContact CD2-CD2 4.13Å; L36-F147 HydrophobicContact CD2-CE2 3.85Å
37	V	94.7	Very high	92.5	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-65.3	-49.1	176.4	174.6	0	0	0	0	110.5	F33 V34 E35 Y39 S40 M41 L54 I128 F130 L142 V144	F33-V37 HydrophobicContact CD1-CG2 4.24Å; F33-V37 HydrophobicContact CE1-CG2 3.77Å; F33-V37 HydrophobicContact CE2-CG2 4.39Å; F33-V37 HydrophobicContact CZ-CG2 3.84Å; F33-V37 WeakPolarHBondContact O-CG2 3.44Å; F33-V37 PolarHBondContact O-N 3.41Å; V34-V37 PolarHBondContact O-N 2.97Å; E35-V37 VanDerWaalsContact C-N 3.33Å; E35-V37 PolarHBondContact O-N 3.31Å; V37-Y39 VanDerWaalsContact C-N 3.29Å; V37-Y39 PolarHBondContact O-N 2.95Å; V37-S40 WeakPolarHBondContact O-CA 3.31Å; V37-S40 WeakPolarHBondContact O-CB 3.23Å; V37-S40 PolarHBondContact O-N 3.29Å; V37-M41 HydrophobicContact CG1-CG 4.4Å; V37-M41 HydrophobicContact CG1-SD 3.92Å; V37-M41 VanDerWaalsContact O-CG 3.28Å; V37-M41 WeakPolarHBondContact O-CG 3.19Å; V37-M41 PolarHBondContact O-N 2.92Å; V37-L54 HydrophobicContact CG2-CD1 4.3Å; V37-L54 HydrophobicContact CG2-CD2 3.91Å; V37-I128 HydrophobicContact CB-CD1 4.23Å; V37-I128 HydrophobicContact CG1-CG2 4.44Å; V37-I128 HydrophobicContact CG2-CD1 3.71Å; V37-F130 HydrophobicContact CB-CE2 4.37Å; V37-F130 HydrophobicContact CG1-CD2 3.69Å; V37-F130 HydrophobicContact CG1-CE2 3.65Å; V37-L142 HydrophobicContact CG1-CD2 3.83Å; V37-V144 HydrophobicContact CG1-CG1 3.88Å; V37-V144 HydrophobicContact CG2-CB 4.21Å; V37-V144 HydrophobicContact CG2-CG1 3.79Å
38	K	93.6	Very high	92.5	Very high	98 Å²	98	72.8 Å²	72.8	43%	0.426	36%	0.361	S	S	.	.	H	α-helix	trans	-58.4	-40.9	175.6	-71.1	172.2	-176.8	170.3	0	112.5	V34 E35 S40 M41 R42 F130	V34-K38 HydrophobicContact CG1-CD 4.25Å; V34-K38 WeakPolarHBondContact O-CG 3.32Å; V34-K38 PolarHBondContact O-N 2.99Å; E35-K38 PolarHBondContact O-N 2.72Å; E35-K38 WeakPolarHBondContact OE2-CD 3.38Å; E35-K38 IonicContact OE2-NZ 3.56Å; K38-S40 VanDerWaalsContact C-N 3.31Å; K38-S40 PolarHBondContact O-N 3.34Å; K38-M41 PolarHBondContact O-N 3.02Å; K38-R42 PolarHBondContact O-N 3.05Å; K38-R42 VanDerWaalsContact O-N 3.14Å; K38-F130 HydrophobicContact CG-CZ 4.08Å
39	Y	95.5	Very high	92.6	Very high	146 Å²	146	73.8 Å²	73.8	57%	0.573	36%	0.361	S	S	*	.	H	α-helix	trans	-59.4	-44.6	174	175.7	-94.7	0	0	0	111.3	E35 L36 V37 M41 R42 F57	E35-Y39 VanDerWaalsContact O-CB 3.32Å; E35-Y39 WeakPolarHBondContact O-CB 3.4Å; E35-Y39 PolarHBondContact O-N 2.99Å; L36-Y39 PolarHBondContact O-N 2.9Å; V37-Y39 VanDerWaalsContact C-N 3.29Å; V37-Y39 PolarHBondContact O-N 2.95Å; Y39-M41 VanDerWaalsContact C-N 3.3Å; Y39-M41 PolarHBondContact O-N 3.34Å; Y39-R42 WeakPolarHBondContact O-CB 3.47Å; Y39-R42 PolarHBondContact O-N 2.97Å; Y39-F57 HydrophobicContact CD1-CE2 4.13Å; Y39-F57 AromaticContact CD1-CZ 3.89Å; Y39-F57 HydrophobicContact CD1-CZ 3.89Å; Y39-F57 HydrophobicContact CE1-CE2 4.32Å; Y39-F57 AromaticContact CE1-CZ 3.8Å; Y39-F57 HydrophobicContact CE1-CZ 3.8Å
40	S	94.4	Very high	92.8	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-64.2	-35.3	178.7	-58.5	0	0	0	0	112.3	L36 V37 K38 R42 V44 R53	L36-S40 WeakPolarHBondContact O-CB 3.49Å; L36-S40 PolarHBondContact O-N 2.86Å; L36-S40 PolarHBondContact O-OG 3.05Å; V37-S40 WeakPolarHBondContact O-CA 3.31Å; V37-S40 WeakPolarHBondContact O-CB 3.23Å; V37-S40 PolarHBondContact O-N 3.29Å; K38-S40 VanDerWaalsContact C-N 3.31Å; K38-S40 PolarHBondContact O-N 3.34Å; S40-R42 VanDerWaalsContact C-N 3.33Å; S40-V44 WeakPolarHBondContact O-CG2 3.34Å; S40-R53 WeakPolarHBondContact O-CD 3.42Å; S40-R53 PolarHBondContact O-NH1 3.29Å; S40-R53 VanDerWaalsContact O-NH1 3.08Å
41	M	92.9	Very high	93	Very high	45 Å²	45	71.3 Å²	71.3	22%	0.222	35%	0.348	C	S	.	.	H	α-helix	trans	-72.6	-20.8	176.4	-64.7	171.6	68	0	0	113.8	V37 K38 Y39 N43 V44 V50 F130 Y132 L142	V37-M41 HydrophobicContact CG1-CG 4.4Å; V37-M41 HydrophobicContact CG1-SD 3.92Å; V37-M41 VanDerWaalsContact O-CG 3.28Å; V37-M41 WeakPolarHBondContact O-CG 3.19Å; V37-M41 PolarHBondContact O-N 2.92Å; K38-M41 PolarHBondContact O-N 3.02Å; Y39-M41 VanDerWaalsContact C-N 3.3Å; Y39-M41 PolarHBondContact O-N 3.34Å; M41-N43 PolarHBondContact O-N 2.94Å; M41-V44 PolarHBondContact O-N 3.3Å; M41-V50 HydrophobicContact CG-CG1 3.79Å; M41-V50 HydrophobicContact CG-CG2 4.24Å; M41-F130 HydrophobicContact CE-CB 4.05Å; M41-F130 HydrophobicContact CE-CD1 3.98Å; M41-F130 HydrophobicContact CE-CD2 4.47Å; M41-F130 HydrophobicContact CE-CG 3.93Å; M41-F130 HydrophobicContact SD-CB 4.26Å; M41-F130 HydrophobicContact SD-CD1 4.16Å; M41-F130 HydrophobicContact SD-CD2 3.72Å; M41-F130 HydrophobicContact SD-CE1 4.45Å; M41-F130 HydrophobicContact SD-CE2 4.04Å; M41-F130 HydrophobicContact SD-CG 3.79Å; M41-F130 HydrophobicContact SD-CZ 4.41Å; M41-Y132 WeakPolarHBondContact CB-OH 3.35Å; M41-Y132 HydrophobicContact CE-CE2 3.83Å; M41-Y132 HydrophobicContact CG-CE2 4.29Å; M41-Y132 WeakPolarHBondContact CG-OH 3.44Å; M41-L142 HydrophobicContact CG-CD2 4.49Å; M41-L142 HydrophobicContact SD-CD2 4.34Å
42	R	93.5	Very high	93.1	Very high	172 Å²	172	69.6 Å²	69.6	65%	0.649	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	125.2	-176.1	-170.5	177.8	-179.8	175.1	0.5	111.2	K38 Y39 S40 V44 R53	K38-R42 PolarHBondContact O-N 3.05Å; K38-R42 VanDerWaalsContact O-N 3.14Å; Y39-R42 WeakPolarHBondContact O-CB 3.47Å; Y39-R42 PolarHBondContact O-N 2.97Å; S40-R42 VanDerWaalsContact C-N 3.33Å; R42-V44 PolarHBondContact O-N 3.43Å; R42-R53 PolarHBondContact O-NH1 3.34Å
43	N	90.9	Very high	93.3	Very high	152 Å²	152	68.4 Å²	68.4	81%	0.813	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	31.7	180	-53.3	-28.4	0	0	0	113.5	M41	M41-N43 PolarHBondContact O-N 2.94Å
44	V	90.4	Very high	93.4	Very high	20 Å²	20	68 Å²	68	12%	0.121	33%	0.329	C	S	.	.			trans	-122.4	126.4	175.9	-178	0	0	0	0	109.4	S40 M41 R42 S46 L49 V50	S40-V44 WeakPolarHBondContact O-CG2 3.34Å; M41-V44 PolarHBondContact O-N 3.3Å; R42-V44 PolarHBondContact O-N 3.43Å; V44-S46 VanDerWaalsContact CG1-O 3.28Å; V44-S46 WeakPolarHBondContact CG1-O 3.44Å; V44-L49 HydrophobicContact CG1-CB 3.39Å; V44-L49 HydrophobicContact CG1-CD1 4.21Å; V44-L49 HydrophobicContact CG1-CG 4.44Å; V44-V50 HydrophobicContact CB-CG2 3.82Å; V44-V50 HydrophobicContact CG1-CG2 3.54Å; V44-V50 HydrophobicContact CG2-CG2 4.49Å
45	S	84.1	Confident	93.6	Very high	111 Å²	111	67 Å²	67	78%	0.776	32%	0.324	S	S	*	.			trans	-87.1	-31.1	179.9	49.9	0	0	0	0	113.6
46	S	89.7	Confident	93.8	Very high	31 Å²	31	66 Å²	66	22%	0.217	32%	0.322	C	S	.	.			trans	-103.7	137.3	-173.4	164.7	0	0	0	0	112.1	V44 D48 L49 V50	V44-S46 VanDerWaalsContact CG1-O 3.28Å; V44-S46 WeakPolarHBondContact CG1-O 3.44Å; S46-D48 VanDerWaalsContact C-N 3.29Å; S46-D48 PolarHBondContact O-N 3.04Å; S46-D48 PolarHBondContact OG-N 3.16Å; S46-L49 PolarHBondContact O-N 3.16Å; S46-V50 PolarHBondContact O-N 2.7Å
47	M	90.8	Very high	93.9	Very high	34 Å²	34	67.8 Å²	67.8	17%	0.167	33%	0.328	C	S	.	.	H	α-helix	trans	-56.3	-43.5	173.5	-176.3	175.6	61.8	0	0	111.6	L49 V50 Q51 Y132 A140 L142	M47-L49 VanDerWaalsContact C-N 3.28Å; M47-L49 PolarHBondContact O-N 3.43Å; M47-V50 WeakPolarHBondContact O-CB 3.33Å; M47-V50 PolarHBondContact O-N 2.84Å; M47-Q51 HydrophobicContact CG-CG 4.36Å; M47-Q51 WeakPolarHBondContact O-CG 3.49Å; M47-Q51 PolarHBondContact O-N 3.04Å; M47-Y132 HydrophobicContact CB-CD1 4.15Å; M47-Y132 HydrophobicContact CB-CD2 4.23Å; M47-Y132 HydrophobicContact CB-CG 3.82Å; M47-Y132 HydrophobicContact CG-CD2 4.25Å; M47-Y132 HydrophobicContact CG-CG 4.27Å; M47-A140 HydrophobicContact CE-CB 4.24Å; M47-A140 HydrophobicContact SD-CB 4.33Å; M47-L142 HydrophobicContact CG-CD1 3.73Å
48	D	92.3	Very high	94.1	Very high	104 Å²	104	67.8 Å²	67.8	56%	0.556	33%	0.328	S	S	*	.	H	α-helix	trans	-60.6	-38.8	-179	-66.1	-38.7	0	0	0	112.4	S46 V50 Q51 K52	S46-D48 VanDerWaalsContact C-N 3.29Å; S46-D48 PolarHBondContact O-N 3.04Å; S46-D48 PolarHBondContact OG-N 3.16Å; D48-V50 VanDerWaalsContact C-N 3.33Å; D48-V50 PolarHBondContact O-N 3.3Å; D48-Q51 PolarHBondContact O-N 3.14Å; D48-K52 VanDerWaalsContact O-CB 3.3Å; D48-K52 WeakPolarHBondContact O-CB 3.28Å; D48-K52 PolarHBondContact O-N 3.19Å
49	L	93.7	Very high	94.3	Very high	89 Å²	89	65.6 Å²	65.6	47%	0.466	32%	0.318	S	S	.	.	H	α-helix	trans	-67.4	-34.9	176.5	-68.4	180	0	0	0	111.9	V44 S46 M47 R53	V44-L49 HydrophobicContact CG1-CB 3.39Å; V44-L49 HydrophobicContact CG1-CD1 4.21Å; V44-L49 HydrophobicContact CG1-CG 4.44Å; S46-L49 PolarHBondContact O-N 3.16Å; M47-L49 VanDerWaalsContact C-N 3.28Å; M47-L49 PolarHBondContact O-N 3.43Å; L49-R53 WeakPolarHBondContact O-CG 3.18Å; L49-R53 PolarHBondContact O-N 3Å
50	V	94.9	Very high	94.4	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-68.2	-46.4	173.6	178.2	0	0	0	0	110.8	M41 V44 S46 M47 D48 K52 R53 L54 Y132 L142	M41-V50 HydrophobicContact CG-CG1 3.79Å; M41-V50 HydrophobicContact CG-CG2 4.24Å; V44-V50 HydrophobicContact CB-CG2 3.82Å; V44-V50 HydrophobicContact CG1-CG2 3.54Å; V44-V50 HydrophobicContact CG2-CG2 4.49Å; S46-V50 PolarHBondContact O-N 2.7Å; M47-V50 WeakPolarHBondContact O-CB 3.33Å; M47-V50 PolarHBondContact O-N 2.84Å; D48-V50 VanDerWaalsContact C-N 3.33Å; D48-V50 PolarHBondContact O-N 3.3Å; V50-K52 VanDerWaalsContact C-N 3.27Å; V50-K52 PolarHBondContact O-N 3.02Å; V50-R53 PolarHBondContact O-N 3.13Å; V50-L54 HydrophobicContact CG1-CD1 4.26Å; V50-L54 WeakPolarHBondContact O-CG 3.28Å; V50-L54 PolarHBondContact O-N 2.99Å; V50-Y132 HydrophobicContact CG2-CE1 4.43Å; V50-Y132 HydrophobicContact CG2-CE2 4.34Å; V50-Y132 VanDerWaalsContact CG2-OH 3.31Å; V50-Y132 WeakPolarHBondContact CG2-OH 3.4Å; V50-L142 HydrophobicContact CB-CD1 4.18Å; V50-L142 HydrophobicContact CG1-CD1 3.93Å; V50-L142 HydrophobicContact CG1-CD2 3.89Å
51	Q	95.9	Very high	94.5	Very high	27 Å²	27	67.2 Å²	67.2	13%	0.126	33%	0.331	C	S	.	.	H	α-helix	trans	-60.4	-38.9	176.3	-67.5	-169.9	152.7	0	0	111.5	M47 D48 L54 S55 L142 N143 A146	M47-Q51 HydrophobicContact CG-CG 4.36Å; M47-Q51 WeakPolarHBondContact O-CG 3.49Å; M47-Q51 PolarHBondContact O-N 3.04Å; D48-Q51 PolarHBondContact O-N 3.14Å; Q51-L54 PolarHBondContact O-N 2.87Å; Q51-S55 WeakPolarHBondContact O-CB 3.17Å; Q51-S55 PolarHBondContact O-N 2.66Å; Q51-L142 HydrophobicContact CG-CD1 3.62Å; Q51-N143 VanDerWaalsContact OE1-CB 3.29Å; Q51-N143 VanDerWaalsContact OE1-N 3.13Å; Q51-N143 PolarHBondContact OE1-O 3.25Å; Q51-A146 HydrophobicContact CB-CB 3.58Å; Q51-A146 HydrophobicContact CG-CB 3.93Å; Q51-A146 WeakPolarHBondContact O-CB 3.21Å
52	K	96.5	Very high	94.7	Very high	133 Å²	133	65.1 Å²	65.1	58%	0.578	32%	0.32	S	S	*	.	H	α-helix	trans	-61.8	-47.5	173.7	-174.4	173.5	-178	175.5	0	112.1	D48 V50 L54 S55 D56	D48-K52 VanDerWaalsContact O-CB 3.3Å; D48-K52 WeakPolarHBondContact O-CB 3.28Å; D48-K52 PolarHBondContact O-N 3.19Å; V50-K52 VanDerWaalsContact C-N 3.27Å; V50-K52 PolarHBondContact O-N 3.02Å; K52-L54 VanDerWaalsContact C-N 3.31Å; K52-L54 PolarHBondContact O-N 3.13Å; K52-S55 WeakPolarHBondContact O-CB 3.21Å; K52-S55 PolarHBondContact O-N 3.06Å; K52-D56 PolarHBondContact O-N 3.41Å
53	R	96.9	Very high	94.9	Very high	95 Å²	95	62.2 Å²	62.2	36%	0.358	31%	0.314	S	S	.	.	H	α-helix	trans	-59.4	-41.9	175.4	-76.6	-179.7	176.7	-175.2	2.9	112.2	S40 R42 L49 V50 D56 F57	S40-R53 WeakPolarHBondContact O-CD 3.42Å; S40-R53 PolarHBondContact O-NH1 3.29Å; S40-R53 VanDerWaalsContact O-NH1 3.08Å; R42-R53 PolarHBondContact O-NH1 3.34Å; L49-R53 WeakPolarHBondContact O-CG 3.18Å; L49-R53 PolarHBondContact O-N 3Å; V50-R53 PolarHBondContact O-N 3.13Å; R53-D56 PolarHBondContact O-N 2.95Å; R53-F57 WeakPolarHBondContact O-CD2 3.29Å; R53-F57 PolarHBondContact O-N 2.99Å
54	L	97.1	Very high	95.1	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.7	-43.9	175.5	-71.4	173.9	0	0	0	111.6	V37 V50 Q51 K52 D56 F57 G58 V144 A146 F147	V37-L54 HydrophobicContact CG2-CD1 4.3Å; V37-L54 HydrophobicContact CG2-CD2 3.91Å; V50-L54 HydrophobicContact CG1-CD1 4.26Å; V50-L54 WeakPolarHBondContact O-CG 3.28Å; V50-L54 PolarHBondContact O-N 2.99Å; Q51-L54 PolarHBondContact O-N 2.87Å; K52-L54 VanDerWaalsContact C-N 3.31Å; K52-L54 PolarHBondContact O-N 3.13Å; L54-D56 VanDerWaalsContact C-N 3.33Å; L54-D56 PolarHBondContact O-N 2.68Å; L54-F57 PolarHBondContact O-N 2.99Å; L54-G58 PolarHBondContact O-N 3.18Å; L54-G58 VanDerWaalsContact O-N 3.08Å; L54-V144 HydrophobicContact CD1-CB 4.26Å; L54-V144 HydrophobicContact CD1-CG1 4.18Å; L54-A146 HydrophobicContact CB-CB 4.45Å; L54-F147 HydrophobicContact CB-CB 4.3Å; L54-F147 WeakPolarHBondContact O-CA 3.24Å; L54-F147 WeakPolarHBondContact O-CD2 3.3Å
55	S	98.3	Very high	95.2	Very high	11 Å²	11	60.9 Å²	60.9	8%	0.077	30%	0.297	C	S	.	.	H	α-helix	trans	-58.2	-44.6	173.7	-179.8	0	0	0	0	111.3	Q51 K52 F57 G58 K59 A146 G150	Q51-S55 WeakPolarHBondContact O-CB 3.17Å; Q51-S55 PolarHBondContact O-N 2.66Å; K52-S55 WeakPolarHBondContact O-CB 3.21Å; K52-S55 PolarHBondContact O-N 3.06Å; S55-F57 VanDerWaalsContact C-N 3.3Å; S55-F57 PolarHBondContact O-N 3.19Å; S55-G58 CarbonylContact O-C 3.59Å; S55-G58 WeakPolarHBondContact O-CA 3.41Å; S55-G58 PolarHBondContact O-N 2.74Å; S55-K59 WeakPolarHBondContact O-CG 3.45Å; S55-K59 PolarHBondContact O-N 2.84Å; S55-A146 VanDerWaalsContact CA-O 3.28Å; S55-A146 WeakPolarHBondContact CA-O 3.38Å; S55-A146 WeakPolarHBondContact CB-O 3.37Å; S55-G150 VanDerWaalsContact O-CA 3.31Å; S55-G150 WeakPolarHBondContact O-CA 3.45Å; S55-G150 WeakPolarHBondContact OG-CA 3.25Å; S55-G150 PolarHBondContact OG-N 2.86Å
56	D	98.2	Very high	95.6	Very high	77 Å²	77	56.6 Å²	56.6	41%	0.412	27%	0.265	S	S	.	.	H	α-helix	trans	-60.1	-37.3	178	-66.3	-27	0	0	0	112.7	K52 R53 L54 K59	K52-D56 PolarHBondContact O-N 3.41Å; R53-D56 PolarHBondContact O-N 2.95Å; L54-D56 VanDerWaalsContact C-N 3.33Å; L54-D56 PolarHBondContact O-N 2.68Å; D56-K59 PolarHBondContact O-N 3.28Å; D56-K59 IonicContact OD1-NZ 3.28Å
57	F	98	Very high	95.5	Very high	78 Å²	78	61.2 Å²	61.2	34%	0.342	29%	0.287	S	S	.	.	H	α-helix	trans	-64.7	-39.9	170.9	-73.7	-66.3	0	0	0	112.7	L36 Y39 R53 L54 S55 F147	L36-F57 HydrophobicContact CD1-CD1 3.94Å; L36-F57 HydrophobicContact CD1-CD2 3.72Å; L36-F57 HydrophobicContact CD1-CE1 3.84Å; L36-F57 HydrophobicContact CD1-CE2 3.62Å; L36-F57 HydrophobicContact CD1-CG 3.89Å; L36-F57 HydrophobicContact CD1-CZ 3.67Å; L36-F57 HydrophobicContact CD2-CB 4.27Å; L36-F57 HydrophobicContact CD2-CD2 4.34Å; L36-F57 HydrophobicContact CD2-CG 4.27Å; L36-F57 HydrophobicContact CG-CD2 4.12Å; L36-F57 HydrophobicContact CG-CE2 4.33Å; L36-F57 HydrophobicContact CG-CG 4.43Å; Y39-F57 HydrophobicContact CD1-CE2 4.13Å; Y39-F57 AromaticContact CD1-CZ 3.89Å; Y39-F57 HydrophobicContact CD1-CZ 3.89Å; Y39-F57 HydrophobicContact CE1-CE2 4.32Å; Y39-F57 AromaticContact CE1-CZ 3.8Å; Y39-F57 HydrophobicContact CE1-CZ 3.8Å; R53-F57 WeakPolarHBondContact O-CD2 3.29Å; R53-F57 PolarHBondContact O-N 2.99Å; L54-F57 PolarHBondContact O-N 2.99Å; S55-F57 VanDerWaalsContact C-N 3.3Å; S55-F57 PolarHBondContact O-N 3.19Å; F57-F147 HydrophobicContact CB-CD2 4.01Å; F57-F147 HydrophobicContact CB-CE2 3.82Å
58	G	98.2	Very high	95.3	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.5	-38.8	175.6	0	0	0	0	0	113.2	L54 S55 F60 I61 G62 F147 I151	L54-G58 PolarHBondContact O-N 3.18Å; L54-G58 VanDerWaalsContact O-N 3.08Å; S55-G58 CarbonylContact O-C 3.59Å; S55-G58 WeakPolarHBondContact O-CA 3.41Å; S55-G58 PolarHBondContact O-N 2.74Å; G58-F60 VanDerWaalsContact C-N 3.28Å; G58-F60 PolarHBondContact O-N 3.03Å; G58-I61 WeakPolarHBondContact O-CA 3.36Å; G58-I61 WeakPolarHBondContact O-CB 3.48Å; G58-I61 PolarHBondContact O-N 3.07Å; G58-G62 PolarHBondContact O-N 2.87Å; G58-F147 WeakPolarHBondContact CA-O 3.42Å; G58-I151 WeakPolarHBondContact O-CA 3.21Å; G58-I151 VanDerWaalsContact O-CG1 3.29Å; G58-I151 WeakPolarHBondContact O-CG1 3.43Å
59	K	98.6	Very high	95.2	Very high	53 Å²	53	58.4 Å²	58.4	23%	0.23	27%	0.272	C	S	.	.	H	α-helix	trans	-55.9	-42.8	179.7	-73.2	177	-177	-174.5	0	112.5	S55 D56 I61 G62 E63 G150 E153 A154	S55-K59 WeakPolarHBondContact O-CG 3.45Å; S55-K59 PolarHBondContact O-N 2.84Å; D56-K59 PolarHBondContact O-N 3.28Å; D56-K59 IonicContact OD1-NZ 3.28Å; K59-I61 PolarHBondContact O-N 3.29Å; K59-I61 VanDerWaalsContact O-N 3.17Å; K59-G62 PolarHBondContact O-N 2.93Å; K59-E63 WeakPolarHBondContact O-CG 3.34Å; K59-E63 PolarHBondContact O-N 2.95Å; K59-G150 WeakPolarHBondContact CA-O 3.1Å; K59-G150 VanDerWaalsContact CG-O 3.31Å; K59-G150 WeakPolarHBondContact CG-O 3.31Å; K59-E153 WeakPolarHBondContact CE-OE1 3.37Å; K59-E153 IonicContact NZ-OE1 3.76Å; K59-E153 PolarHBondContact NZ-OE1 2.91Å; K59-A154 HydrophobicContact CB-CB 3.9Å; K59-A154 HydrophobicContact CG-CB 4.05Å; K59-A154 VanDerWaalsContact O-CB 3.29Å; K59-A154 WeakPolarHBondContact O-CB 3.39Å
60	F	97.3	Very high	94.9	Very high	116 Å²	116	55.5 Å²	55.5	51%	0.509	26%	0.255	S	S	.	.	H	α-helix	trans	-56.1	-35	177.7	-176	-93.1	0	0	0	112.9	G58 R64	G58-F60 VanDerWaalsContact C-N 3.28Å; G58-F60 PolarHBondContact O-N 3.03Å; F60-R64 VanDerWaalsContact CZ-NE 3.27Å; F60-R64 WeakPolarHBondContact O-CD 3.48Å; F60-R64 PolarHBondContact O-NH1 2.86Å
61	I	96.4	Very high	94.4	Very high	64 Å²	64	60.2 Å²	60.2	33%	0.328	28%	0.28	S	S	.	.	H	α-helix	trans	-76.7	-45.4	175.7	-59.1	176.4	0	0	0	110.1	G58 K59 E63 R64 I65 F147 I151	G58-I61 WeakPolarHBondContact O-CA 3.36Å; G58-I61 WeakPolarHBondContact O-CB 3.48Å; G58-I61 PolarHBondContact O-N 3.07Å; K59-I61 PolarHBondContact O-N 3.29Å; K59-I61 VanDerWaalsContact O-N 3.17Å; I61-E63 VanDerWaalsContact C-N 3.28Å; I61-E63 PolarHBondContact O-N 2.89Å; I61-R64 PolarHBondContact O-N 2.79Å; I61-R64 VanDerWaalsContact O-N 3.12Å; I61-I65 WeakPolarHBondContact O-CB 3.49Å; I61-I65 WeakPolarHBondContact O-CG2 3.32Å; I61-I65 PolarHBondContact O-N 2.79Å; I61-F147 HydrophobicContact CD1-CE1 4.05Å; I61-F147 HydrophobicContact CD1-CE2 4.3Å; I61-F147 HydrophobicContact CD1-CZ 3.41Å; I61-F147 VanDerWaalsContact CD1-CZ 3.41Å; I61-I151 HydrophobicContact CB-CG1 4.26Å; I61-I151 HydrophobicContact CG2-CD1 4.33Å; I61-I151 HydrophobicContact CG2-CG1 4.46Å
62	G	97.7	Very high	93.8	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-56.2	-37.9	179	0	0	0	0	0	113.7	G58 K59 I65 I66 I151	G58-G62 PolarHBondContact O-N 2.87Å; K59-G62 PolarHBondContact O-N 2.93Å; G62-I65 WeakPolarHBondContact O-CG2 3.47Å; G62-I66 WeakPolarHBondContact O-CG1 3.31Å; G62-I151 WeakPolarHBondContact CA-O 3.48Å
63	E	96.6	Very high	92.9	Very high	111 Å²	111	60.6 Å²	60.6	52%	0.519	28%	0.281	S	S	.	.	H	α-helix	trans	-65.7	-43.1	175.3	-67.4	171.2	163.7	0	0	112.4	K59 I61 A154	K59-E63 WeakPolarHBondContact O-CG 3.34Å; K59-E63 PolarHBondContact O-N 2.95Å; I61-E63 VanDerWaalsContact C-N 3.28Å; I61-E63 PolarHBondContact O-N 2.89Å; E63-A154 HydrophobicContact CG-CB 4.03Å
64	R	94.6	Very high	91.6	Very high	124 Å²	124	59.3 Å²	59.3	47%	0.468	28%	0.278	S	S	.	.	H	α-helix	trans	-81	-28.6	-172.5	-74.7	166.7	178.7	63.8	10.4	113.3	F60 I61 I66	F60-R64 VanDerWaalsContact CZ-NE 3.27Å; F60-R64 WeakPolarHBondContact O-CD 3.48Å; F60-R64 PolarHBondContact O-NH1 2.86Å; I61-R64 PolarHBondContact O-N 2.79Å; I61-R64 VanDerWaalsContact O-N 3.12Å; R64-I66 VanDerWaalsContact C-N 3.27Å; R64-I66 PolarHBondContact O-N 3.28Å
65	I	92.5	Very high	89.9	Confident	21 Å²	21	64.2 Å²	64.2	11%	0.108	31%	0.31	C	S	.	.	H	α-helix	trans	-73.6	-20.7	-176.7	-165.5	162.5	0	0	0	112.4	I61 G62 D67 I68 V69 L93 L97 F155	I61-I65 WeakPolarHBondContact O-CB 3.49Å; I61-I65 WeakPolarHBondContact O-CG2 3.32Å; I61-I65 PolarHBondContact O-N 2.79Å; G62-I65 WeakPolarHBondContact O-CG2 3.47Å; I65-D67 PolarHBondContact O-N 2.87Å; I65-I68 PolarHBondContact O-N 3.47Å; I65-V69 HydrophobicContact CD1-CG2 4.09Å; I65-V69 HydrophobicContact CG1-CG2 3.47Å; I65-V69 VanDerWaalsContact CG1-CG2 3.47Å; I65-V69 WeakPolarHBondContact O-CB 3.5Å; I65-V69 WeakPolarHBondContact O-CG2 3.46Å; I65-V69 PolarHBondContact O-N 3.09Å; I65-L93 HydrophobicContact CB-CD1 4.48Å; I65-L93 HydrophobicContact CD1-CD1 3.74Å; I65-L93 HydrophobicContact CG1-CD1 3.91Å; I65-L93 HydrophobicContact CG2-CD1 3.74Å; I65-L97 HydrophobicContact CD1-CD2 3.38Å; I65-L97 HydrophobicContact CD1-CG 3.82Å; I65-F155 HydrophobicContact CG2-CD2 4.43Å
66	I	92.4	Very high	88.2	Confident	21 Å²	21	70.5 Å²	70.5	11%	0.108	34%	0.343	C	S	.	.	H	α-helix	trans	-52.1	-59.8	-179.8	-65.6	165.4	0	0	0	110.5	G62 R64 I68 V69 Y70 F155 I159	G62-I66 WeakPolarHBondContact O-CG1 3.31Å; R64-I66 VanDerWaalsContact C-N 3.27Å; R64-I66 PolarHBondContact O-N 3.28Å; I66-I68 VanDerWaalsContact C-N 3.3Å; I66-I68 PolarHBondContact O-N 3.31Å; I66-V69 PolarHBondContact O-N 3.34Å; I66-Y70 HydrophobicContact CG2-CD2 3.95Å; I66-Y70 HydrophobicContact CG2-CE2 4.18Å; I66-Y70 VanDerWaalsContact O-CD2 3.31Å; I66-Y70 WeakPolarHBondContact O-CD2 3.25Å; I66-Y70 PolarHBondContact O-N 3.42Å; I66-F155 HydrophobicContact CG1-CD2 3.6Å; I66-F155 HydrophobicContact CG1-CE2 4.04Å; I66-F155 HydrophobicContact CG1-CG 4.47Å; I66-I159 HydrophobicContact CD1-CG2 4.24Å; I66-I159 HydrophobicContact CG1-CG2 4.19Å; I66-I159 HydrophobicContact CG2-CG2 3.76Å
67	D	88.8	Confident	86.9	Confident	127 Å²	127	75.3 Å²	75.3	68%	0.679	36%	0.36	S	S	*	.	H	α-helix	trans	-61	-41.9	-174.7	-64.7	-31.5	0	0	0	111.8	I65 L71	I65-D67 PolarHBondContact O-N 2.87Å; D67-L71 WeakPolarHBondContact O-CB 3.4Å; D67-L71 PolarHBondContact O-N 3.06Å
68	I	86.7	Confident	86	Confident	80 Å²	80	78.4 Å²	78.4	41%	0.41	37%	0.37	S	S	.	.	H	α-helix	trans	-65.5	-43.5	-178.7	-63.4	173.7	0	0	0	110.9	I65 I66 R72	I65-I68 PolarHBondContact O-N 3.47Å; I66-I68 VanDerWaalsContact C-N 3.3Å; I66-I68 PolarHBondContact O-N 3.31Å; I68-R72 VanDerWaalsContact O-CG 3.28Å; I68-R72 WeakPolarHBondContact O-CG 3.38Å; I68-R72 PolarHBondContact O-N 3.06Å; I68-R72 VanDerWaalsContact O-N 3.16Å
69	V	89.1	Confident	85.3	Confident	0 Å²	0	80.2 Å²	80.2	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-72.3	-40	-176.9	167.9	0	0	0	0	111.2	I65 I66 R72 D73 F88 L93 N96	I65-V69 HydrophobicContact CD1-CG2 4.09Å; I65-V69 HydrophobicContact CG1-CG2 3.47Å; I65-V69 VanDerWaalsContact CG1-CG2 3.47Å; I65-V69 WeakPolarHBondContact O-CB 3.5Å; I65-V69 WeakPolarHBondContact O-CG2 3.46Å; I65-V69 PolarHBondContact O-N 3.09Å; I66-V69 PolarHBondContact O-N 3.34Å; V69-R72 PolarHBondContact O-N 3.02Å; V69-D73 WeakPolarHBondContact O-CB 3.3Å; V69-D73 PolarHBondContact O-N 3.17Å; V69-F88 HydrophobicContact CG1-CE1 3.53Å; V69-F88 HydrophobicContact CG1-CZ 3.5Å; V69-L93 HydrophobicContact CG2-CD1 4Å; V69-N96 HydrophobicContact CG2-CB 3.79Å
70	Y	88.2	Confident	84.9	Confident	28 Å²	28	83 Å²	83	11%	0.11	40%	0.396	C	S	.	.	H	α-helix	trans	-67.4	-39.2	173.9	-82.9	-80.8	0	0	0	112.4	I66 R72 K74 R78 F88 F155 I159	I66-Y70 HydrophobicContact CG2-CD2 3.95Å; I66-Y70 HydrophobicContact CG2-CE2 4.18Å; I66-Y70 VanDerWaalsContact O-CD2 3.31Å; I66-Y70 WeakPolarHBondContact O-CD2 3.25Å; I66-Y70 PolarHBondContact O-N 3.42Å; Y70-R72 PolarHBondContact O-N 2.81Å; Y70-K74 HydrophobicContact CD1-CB 4.04Å; Y70-K74 CarbonylContact O-C 3.55Å; Y70-K74 PolarHBondContact O-N 2.83Å; Y70-R78 HydrophobicContact CE1-CB 4.24Å; Y70-R78 HydrophobicContact CE1-CG 4.06Å; Y70-F88 HydrophobicContact CD1-CZ 4.49Å; Y70-F88 HydrophobicContact CE1-CE1 4.41Å; Y70-F88 HydrophobicContact CE1-CZ 4.29Å; Y70-F88 HydrophobicContact CE2-CE1 4.11Å; Y70-F155 HydrophobicContact CE2-CE2 4.3Å; Y70-F155 HydrophobicContact CE2-CZ 4.2Å; Y70-I159 HydrophobicContact CE2-CG2 3.85Å
71	L	84.9	Confident	84.8	Confident	98 Å²	98	81.7 Å²	81.7	51%	0.513	39%	0.387	S	S	.	.	H	α-helix	trans	-59.3	-35.7	175.3	-178.6	65.8	0	0	0	112.3	L17 D67	L17-L71 HydrophobicContact CB-CD2 4.11Å; L17-L71 HydrophobicContact CD1-CD2 4.16Å; D67-L71 WeakPolarHBondContact O-CB 3.4Å; D67-L71 PolarHBondContact O-N 3.06Å
72	R	82.9	Confident	84.8	Confident	104 Å²	104	79 Å²	79	39%	0.392	37%	0.373	S	S	.	.	H	α-helix	trans	-83.6	-47.3	-178.4	-71.8	171.9	-179.5	172.5	2.6	113.5	I68 V69 Y70 N96	I68-R72 VanDerWaalsContact O-CG 3.28Å; I68-R72 WeakPolarHBondContact O-CG 3.38Å; I68-R72 PolarHBondContact O-N 3.06Å; I68-R72 VanDerWaalsContact O-N 3.16Å; V69-R72 PolarHBondContact O-N 3.02Å; Y70-R72 PolarHBondContact O-N 2.81Å; R72-N96 PolarHBondContact NH1-OD1 2.94Å
73	D	78	Confident	84.6	Confident	64 Å²	64	86.2 Å²	86.2	34%	0.342	40%	0.402	S	S	.	.	H	α-helix	trans	-103.1	-24.8	-165.7	-71	-5.1	0	0	0	113.6	V69 F88 N92 N96	V69-D73 WeakPolarHBondContact O-CB 3.3Å; V69-D73 PolarHBondContact O-N 3.17Å; D73-F88 HydrophobicContact CB-CE2 4.21Å; D73-F88 HydrophobicContact CB-CZ 4.36Å; D73-N92 WeakPolarHBondContact OD2-CB 3.17Å; D73-N92 PolarHBondContact OD2-ND2 3.49Å; D73-N96 PolarHBondContact OD2-ND2 3.11Å
74	K	69.5	Low	84.5	Confident	69 Å²	69	84 Å²	84	30%	0.3	39%	0.393	S	S	.	.			trans	-143.9	83	-177.1	-78.5	-162.8	-180	-163	0	112.4	Y70 N76 D79 F88	Y70-K74 HydrophobicContact CD1-CB 4.04Å; Y70-K74 CarbonylContact O-C 3.55Å; Y70-K74 PolarHBondContact O-N 2.83Å; K74-N76 PolarHBondContact O-N 3.44Å; K74-N76 VanDerWaalsContact O-N 3.11Å; K74-D79 IonicContact NZ-OD1 3.54Å; K74-D79 IonicContact NZ-OD2 3.5Å; K74-D79 PolarHBondContact NZ-OD2 3.26Å; K74-F88 HydrophobicContact CD-CD2 4.18Å; K74-F88 HydrophobicContact CD-CE2 3.93Å; K74-F88 HydrophobicContact CG-CE2 3.96Å
75	P	61.4	Low	84.5	Confident	103 Å²	103	78.2 Å²	78.2	67%	0.669	37%	0.372	S	S	*	.	S	Bend	trans	-66.9	-16.1	-175.4	22.9	-31.6	0	0	0	115
76	N	62.2	Low	84.7	Confident	143 Å²	143	77.2 Å²	77.2	77%	0.765	37%	0.367	S	S	*	.	S	Bend	trans	-115.8	-38.8	-164.6	-69.3	-29.1	0	0	0	117.2	K74	K74-N76 PolarHBondContact O-N 3.44Å; K74-N76 VanDerWaalsContact O-N 3.11Å
77	K	72.1	Confident	84.9	Confident	178 Å²	178	78.5 Å²	78.5	77%	0.774	37%	0.373	S	S	*	.			trans	-152.6	134.5	179.1	-64.6	-172.4	-178.3	176.4	0	113.2
78	R	78.6	Confident	85.2	Confident	143 Å²	143	72.6 Å²	72.6	54%	0.54	34%	0.342	S	S	.	.			trans	-70	136.3	164.7	-168.8	-166.2	-46.5	175.9	7.9	109.2	Y70 I159	Y70-R78 HydrophobicContact CE1-CB 4.24Å; Y70-R78 HydrophobicContact CE1-CG 4.06Å; R78-I159 PolarHBondContact NH1-O 3.4Å; R78-I159 VanDerWaalsContact NH1-O 3.09Å
79	D	83.6	Confident	85.6	Confident	38 Å²	38	68.8 Å²	68.8	20%	0.203	32%	0.322	C	S	.	.			trans	-72.3	138	173.3	-67.1	-77.4	0	0	0	111.6	K74 N84 Y161	K74-D79 IonicContact NZ-OD1 3.54Å; K74-D79 IonicContact NZ-OD2 3.5Å; K74-D79 PolarHBondContact NZ-OD2 3.26Å; D79-N84 HydrophobicContact CB-CB 3.55Å; D79-N84 PolarHBondContact OD1-ND2 2.79Å; D79-N84 VanDerWaalsContact OD1-ND2 3.11Å; D79-Y161 PolarHBondContact O-OH 3.14Å
80	I	90.1	Very high	86	Confident	112 Å²	112	70.3 Å²	70.3	57%	0.574	33%	0.329	S	S	*	.			trans	-91.5	-7.9	176.7	63.6	172	0	0	0	113.1	Y161 L190	I80-Y161 PolarHBondContact O-OH 3.34Å; I80-Y161 VanDerWaalsContact O-OH 3.14Å; I80-L190 HydrophobicContact CB-CD1 4.42Å; I80-L190 HydrophobicContact CD1-CD1 4.31Å; I80-L190 HydrophobicContact CD1-CD2 3.99Å; I80-L190 HydrophobicContact CG1-CD1 4.31Å; I80-L190 WeakPolarHBondContact O-CD1 3.46Å
81	R	94.5	Very high	86.4	Confident	87 Å²	87	71 Å²	71	33%	0.328	33%	0.334	S	S	.	.	S	Bend	trans	-95.8	130.6	-179.6	-60.8	-56.9	-55.8	-111.6	-0.3	110.4	Y83 N84 A85 Y161 E187 D191	R81-Y83 VanDerWaalsContact C-N 3.33Å; R81-Y83 PolarHBondContact O-N 3.32Å; R81-N84 HydrophobicContact CB-CB 4.39Å; R81-N84 PolarHBondContact O-N 3.02Å; R81-N84 VanDerWaalsContact O-N 3.14Å; R81-A85 PolarHBondContact O-N 3.45Å; R81-A85 VanDerWaalsContact O-N 3.12Å; R81-Y161 PolarHBondContact N-OH 2.91Å; R81-Y161 PolarHBondContact O-OH 3.48Å; R81-E187 IonicContact CZ-OE2 2.62Å; R81-E187 IonicContact NE-OE2 3.59Å; R81-E187 PolarHBondContact NE-OE2 3.24Å; R81-E187 IonicContact NH2-OE2 2.91Å; R81-E187 PolarHBondContact NH2-OE2 3.18Å; R81-D191 IonicContact CZ-OD1 3.36Å; R81-D191 IonicContact NH1-OD1 2.86Å; R81-D191 PolarHBondContact NH1-OD1 3.34Å; R81-D191 IonicContact NH2-OD1 3.22Å; R81-D191 PolarHBondContact NH2-OD1 3.19Å; R81-D191 IonicContact NH2-OD2 2.67Å
82	L	95.7	Very high	86.7	Confident	7 Å²	7	68.3 Å²	68.3	4%	0.037	32%	0.32	C	S	.	.	H	α-helix	trans	-54.5	-46.9	179.3	173.3	60.2	0	0	0	112.4	N84 A85 L86 F115 Y161 F179 V183 E187	L82-N84 VanDerWaalsContact C-N 3.3Å; L82-N84 PolarHBondContact O-N 2.71Å; L82-A85 WeakPolarHBondContact O-CB 3.43Å; L82-A85 PolarHBondContact O-N 3.16Å; L82-A85 VanDerWaalsContact O-N 3.08Å; L82-L86 HydrophobicContact CD1-CD1 4.05Å; L82-L86 HydrophobicContact CD1-CG 4Å; L82-L86 HydrophobicContact CG-CD1 4.01Å; L82-L86 HydrophobicContact CG-CG 4.4Å; L82-L86 WeakPolarHBondContact O-CG 2.96Å; L82-L86 PolarHBondContact O-N 3.33Å; L82-F115 HydrophobicContact CD2-CE2 3.9Å; L82-F115 HydrophobicContact CD2-CZ 4.04Å; L82-Y161 HydrophobicContact CB-CD1 4.16Å; L82-Y161 HydrophobicContact CB-CE1 3.73Å; L82-Y161 HydrophobicContact CD1-CD1 3.55Å; L82-Y161 HydrophobicContact CD1-CE1 3.93Å; L82-Y161 HydrophobicContact CD1-CG 4.31Å; L82-Y161 HydrophobicContact CG-CD1 4.43Å; L82-Y161 HydrophobicContact CG-CE1 4.45Å; L82-F179 HydrophobicContact CD1-CD1 4.42Å; L82-F179 HydrophobicContact CD1-CD2 4.29Å; L82-F179 HydrophobicContact CD1-CE1 3.83Å; L82-F179 HydrophobicContact CD1-CE2 3.66Å; L82-F179 HydrophobicContact CD1-CZ 3.41Å; L82-F179 VanDerWaalsContact CD1-CZ 3.41Å; L82-F179 HydrophobicContact CD2-CD2 4.28Å; L82-F179 HydrophobicContact CD2-CE2 4.25Å; L82-F179 HydrophobicContact CG-CE2 4.5Å; L82-V183 HydrophobicContact CD1-CG1 4.37Å; L82-V183 HydrophobicContact CD2-CG1 4.11Å; L82-E187 VanDerWaalsContact CB-CD 3.49Å; L82-E187 HydrophobicContact CB-CG 3.76Å; L82-E187 WeakPolarHBondContact CB-OE1 3.38Å; L82-E187 HydrophobicContact CD2-CG 4.41Å; L82-E187 VanDerWaalsContact N-CD 3.35Å; L82-E187 PolarHBondContact N-OE1 3.45Å
83	Y	94.5	Very high	87.3	Confident	153 Å²	153	63.4 Å²	63.4	60%	0.6	30%	0.302	S	S	*	.	H	α-helix	trans	-57.1	-44.8	179.4	-179.7	-103.8	0	0	0	111.7	R81 A85 L86 I87	R81-Y83 VanDerWaalsContact C-N 3.33Å; R81-Y83 PolarHBondContact O-N 3.32Å; Y83-A85 VanDerWaalsContact C-N 3.31Å; Y83-A85 PolarHBondContact O-N 3.46Å; Y83-L86 PolarHBondContact O-N 3.39Å; Y83-I87 HydrophobicContact CD1-CG1 4.17Å; Y83-I87 HydrophobicContact CD2-CG1 4.45Å; Y83-I87 HydrophobicContact CE1-CD1 4.37Å; Y83-I87 HydrophobicContact CE1-CG1 3.75Å; Y83-I87 HydrophobicContact CE2-CD1 4.06Å; Y83-I87 HydrophobicContact CE2-CG1 4.04Å; Y83-I87 WeakPolarHBondContact O-CG1 3.42Å; Y83-I87 PolarHBondContact O-N 2.79Å
84	N	93.7	Very high	88.1	Confident	64 Å²	64	60.3 Å²	60.3	34%	0.342	29%	0.285	S	S	.	.	H	α-helix	trans	-64.7	-37.4	178.1	-66.6	-1.7	0	0	0	111.7	D79 R81 L82 I87 F88	D79-N84 HydrophobicContact CB-CB 3.55Å; D79-N84 PolarHBondContact OD1-ND2 2.79Å; D79-N84 VanDerWaalsContact OD1-ND2 3.11Å; R81-N84 HydrophobicContact CB-CB 4.39Å; R81-N84 PolarHBondContact O-N 3.02Å; R81-N84 VanDerWaalsContact O-N 3.14Å; L82-N84 VanDerWaalsContact C-N 3.3Å; L82-N84 PolarHBondContact O-N 2.71Å; N84-I87 PolarHBondContact O-N 2.85Å; N84-F88 VanDerWaalsContact O-CB 3.27Å; N84-F88 WeakPolarHBondContact O-CB 3.44Å; N84-F88 PolarHBondContact O-N 3.36Å
85	A	95	Very high	89.2	Confident	2 Å²	2	60.8 Å²	60.8	2%	0.017	29%	0.287	C	S	.	.	H	α-helix	trans	-64.7	-41.1	175.1	0	0	0	0	0	112	R81 L82 Y83 F88 L89 I159 Y161	R81-A85 PolarHBondContact O-N 3.45Å; R81-A85 VanDerWaalsContact O-N 3.12Å; L82-A85 WeakPolarHBondContact O-CB 3.43Å; L82-A85 PolarHBondContact O-N 3.16Å; L82-A85 VanDerWaalsContact O-N 3.08Å; Y83-A85 VanDerWaalsContact C-N 3.31Å; Y83-A85 PolarHBondContact O-N 3.46Å; A85-F88 PolarHBondContact O-N 3.2Å; A85-L89 WeakPolarHBondContact O-CB 3.4Å; A85-L89 PolarHBondContact O-N 3.42Å; A85-I159 HydrophobicContact CB-CD1 3.94Å; A85-Y161 HydrophobicContact CB-CD2 4.19Å; A85-Y161 HydrophobicContact CB-CE1 4.49Å; A85-Y161 HydrophobicContact CB-CE2 3.65Å
86	L	97.2	Very high	90.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-67.6	-40	176.1	-70	171.8	0	0	0	112.6	L82 Y83 L89 K90 L105 F115 I177 F179	L82-L86 HydrophobicContact CD1-CD1 4.05Å; L82-L86 HydrophobicContact CD1-CG 4Å; L82-L86 HydrophobicContact CG-CD1 4.01Å; L82-L86 HydrophobicContact CG-CG 4.4Å; L82-L86 WeakPolarHBondContact O-CG 2.96Å; L82-L86 PolarHBondContact O-N 3.33Å; Y83-L86 PolarHBondContact O-N 3.39Å; L86-L89 HydrophobicContact CD2-CD2 4.45Å; L86-L89 WeakPolarHBondContact O-CB 3.37Å; L86-L89 PolarHBondContact O-N 3.02Å; L86-K90 PolarHBondContact O-N 2.99Å; L86-L105 HydrophobicContact CB-CD1 4.41Å; L86-L105 HydrophobicContact CB-CD2 3.69Å; L86-L105 HydrophobicContact CD2-CD1 4.46Å; L86-F115 HydrophobicContact CD1-CB 4.49Å; L86-F115 HydrophobicContact CD1-CD1 3.5Å; L86-F115 VanDerWaalsContact CD1-CD1 3.5Å; L86-F115 HydrophobicContact CD1-CD2 4.21Å; L86-F115 HydrophobicContact CD1-CE1 3.6Å; L86-F115 HydrophobicContact CD1-CE2 4.31Å; L86-F115 HydrophobicContact CD1-CG 3.81Å; L86-F115 HydrophobicContact CD1-CZ 4.01Å; L86-I177 HydrophobicContact CD2-CD1 4.09Å; L86-F179 HydrophobicContact CD1-CE2 4.45Å; L86-F179 HydrophobicContact CD2-CE2 4.14Å; L86-F179 HydrophobicContact CD2-CZ 3.88Å
87	I	96.1	Very high	92	Very high	48 Å²	48	53.1 Å²	53.1	25%	0.246	24%	0.24	C	C	.	.	H	α-helix	trans	-65.4	-41.6	174	-65.8	-60.2	0	0	0	110.8	Y83 N84 L89 K90 I91 L105	Y83-I87 HydrophobicContact CD1-CG1 4.17Å; Y83-I87 HydrophobicContact CD2-CG1 4.45Å; Y83-I87 HydrophobicContact CE1-CD1 4.37Å; Y83-I87 HydrophobicContact CE1-CG1 3.75Å; Y83-I87 HydrophobicContact CE2-CD1 4.06Å; Y83-I87 HydrophobicContact CE2-CG1 4.04Å; Y83-I87 WeakPolarHBondContact O-CG1 3.42Å; Y83-I87 PolarHBondContact O-N 2.79Å; N84-I87 PolarHBondContact O-N 2.85Å; I87-L89 VanDerWaalsContact C-N 3.31Å; I87-L89 PolarHBondContact O-N 3.38Å; I87-K90 PolarHBondContact O-N 3.11Å; I87-I91 HydrophobicContact CG2-CD1 3.77Å; I87-I91 HydrophobicContact CG2-CG1 4.4Å; I87-I91 WeakPolarHBondContact O-CB 3.44Å; I87-I91 WeakPolarHBondContact O-CG1 3.45Å; I87-I91 PolarHBondContact O-N 2.95Å; I87-L105 HydrophobicContact CD1-CD2 4.01Å
88	F	95	Very high	92.9	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.018	21%	0.212	C	C	.	.	H	α-helix	trans	-62.1	-40.1	175.1	-172.2	-94.4	0	0	0	111.9	V69 Y70 D73 K74 N84 A85 N92 L93 F155	V69-F88 HydrophobicContact CG1-CE1 3.53Å; V69-F88 HydrophobicContact CG1-CZ 3.5Å; Y70-F88 HydrophobicContact CD1-CZ 4.49Å; Y70-F88 HydrophobicContact CE1-CE1 4.41Å; Y70-F88 HydrophobicContact CE1-CZ 4.29Å; Y70-F88 HydrophobicContact CE2-CE1 4.11Å; D73-F88 HydrophobicContact CB-CE2 4.21Å; D73-F88 HydrophobicContact CB-CZ 4.36Å; K74-F88 HydrophobicContact CD-CD2 4.18Å; K74-F88 HydrophobicContact CD-CE2 3.93Å; K74-F88 HydrophobicContact CG-CE2 3.96Å; N84-F88 VanDerWaalsContact O-CB 3.27Å; N84-F88 WeakPolarHBondContact O-CB 3.44Å; N84-F88 PolarHBondContact O-N 3.36Å; A85-F88 PolarHBondContact O-N 3.2Å; F88-N92 HydrophobicContact CD1-CB 4.24Å; F88-N92 HydrophobicContact CD2-CB 3.62Å; F88-N92 WeakPolarHBondContact CD2-OD1 3.41Å; F88-N92 HydrophobicContact CE1-CB 4.13Å; F88-N92 HydrophobicContact CE2-CB 3.48Å; F88-N92 VanDerWaalsContact CE2-CB 3.48Å; F88-N92 HydrophobicContact CG-CB 4.02Å; F88-N92 HydrophobicContact CZ-CB 3.78Å; F88-N92 WeakPolarHBondContact O-CA 3.38Å; F88-N92 WeakPolarHBondContact O-CB 3.32Å; F88-N92 PolarHBondContact O-N 3.32Å; F88-L93 PolarHBondContact O-N 3.24Å; F88-F155 HydrophobicContact CD1-CE1 4.4Å; F88-F155 AromaticContact CD1-CZ 3.78Å; F88-F155 HydrophobicContact CD1-CZ 3.78Å; F88-F155 HydrophobicContact CE1-CE2 4.47Å; F88-F155 AromaticContact CE1-CZ 3.86Å; F88-F155 HydrophobicContact CE1-CZ 3.86Å
89	L	96.4	Very high	93.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.213	C	C	.	.	I	π-helix	trans	-58.7	-53.8	172.3	170.4	66.1	0	0	0	111.5	A85 L86 I87 I91 L93 W94 M117 V152 F155 L156 I177	A85-L89 WeakPolarHBondContact O-CB 3.4Å; A85-L89 PolarHBondContact O-N 3.42Å; L86-L89 HydrophobicContact CD2-CD2 4.45Å; L86-L89 WeakPolarHBondContact O-CB 3.37Å; L86-L89 PolarHBondContact O-N 3.02Å; I87-L89 VanDerWaalsContact C-N 3.31Å; I87-L89 PolarHBondContact O-N 3.38Å; L89-I91 VanDerWaalsContact C-N 3.3Å; L89-I91 PolarHBondContact O-N 2.89Å; L89-L93 HydrophobicContact CD1-CB 4.25Å; L89-L93 HydrophobicContact CD1-CD2 3.32Å; L89-L93 HydrophobicContact CD1-CG 4.3Å; L89-W94 HydrophobicContact CD1-CE3 4.45Å; L89-W94 HydrophobicContact CD1-CZ3 4.38Å; L89-W94 PolarHBondContact O-N 2.9Å; L89-M117 HydrophobicContact CD1-CE 4.45Å; L89-M117 HydrophobicContact CD2-CE 4.15Å; L89-M117 HydrophobicContact CD2-SD 4.03Å; L89-M117 HydrophobicContact CG-CE 4.18Å; L89-M117 HydrophobicContact CG-SD 3.87Å; L89-V152 HydrophobicContact CD1-CG1 4.17Å; L89-V152 HydrophobicContact CD1-CG2 4.23Å; L89-V152 HydrophobicContact CD2-CG1 3.59Å; L89-V152 HydrophobicContact CG-CG1 4.49Å; L89-F155 HydrophobicContact CB-CE1 4.49Å; L89-F155 HydrophobicContact CD1-CD1 4.13Å; L89-L156 HydrophobicContact CD2-CD1 4.04Å; L89-L156 HydrophobicContact CD2-CD2 4.3Å; L89-L156 HydrophobicContact CD2-CG 4.28Å; L89-I177 HydrophobicContact CD2-CD1 3.94Å
90	K	97.1	Very high	94	Very high	32 Å²	32	45.9 Å²	45.9	14%	0.139	22%	0.216	C	C	.	.	I	π-helix	trans	-58.8	-39.4	-178.7	-179.3	-165.4	179.1	-60.6	0	112.6	L86 I87 W94 E101 A102 L105	L86-K90 PolarHBondContact O-N 2.99Å; I87-K90 PolarHBondContact O-N 3.11Å; K90-W94 WeakPolarHBondContact O-CB 3.46Å; K90-E101 IonicContact NZ-OE2 3.39Å; K90-E101 PolarHBondContact NZ-OE2 3.31Å; K90-E101 WeakPolarHBondContact O-CA 3.2Å; K90-A102 VanDerWaalsContact CE-O 3.23Å; K90-A102 WeakPolarHBondContact CE-O 3.46Å; K90-A102 HydrophobicContact CG-CB 3.89Å; K90-A102 PolarHBondContact NZ-O 2.85Å; K90-A102 PolarHBondContact O-N 2.96Å; K90-L105 HydrophobicContact CD-CB 4.13Å
91	I	95.2	Very high	94.3	Very high	43 Å²	43	43.7 Å²	43.7	22%	0.221	20%	0.203	C	C	.	.	I	π-helix	trans	-100	-65.4	-170.3	-58.7	-178.3	0	0	0	111.2	I87 L89 K95 E101	I87-I91 HydrophobicContact CG2-CD1 3.77Å; I87-I91 HydrophobicContact CG2-CG1 4.4Å; I87-I91 WeakPolarHBondContact O-CB 3.44Å; I87-I91 WeakPolarHBondContact O-CG1 3.45Å; I87-I91 PolarHBondContact O-N 2.95Å; L89-I91 VanDerWaalsContact C-N 3.3Å; L89-I91 PolarHBondContact O-N 2.89Å; I91-K95 HydrophobicContact CG2-CD 4.17Å; I91-K95 WeakPolarHBondContact O-CB 3.43Å; I91-K95 WeakPolarHBondContact O-CG 3.33Å; I91-K95 PolarHBondContact O-N 3.48Å; I91-E101 HydrophobicContact CB-CG 4.45Å; I91-E101 HydrophobicContact CG1-CG 4.38Å; I91-E101 HydrophobicContact CG2-CG 4.2Å
92	N	93	Very high	94.4	Very high	41 Å²	41	39.6 Å²	39.6	22%	0.219	19%	0.188	C	C	.	.	I	π-helix	trans	-75.5	-51	-168.1	-71.1	88	0	0	0	112.1	D73 F88 W94 K95 N96	D73-N92 WeakPolarHBondContact OD2-CB 3.17Å; D73-N92 PolarHBondContact OD2-ND2 3.49Å; F88-N92 HydrophobicContact CD1-CB 4.24Å; F88-N92 HydrophobicContact CD2-CB 3.62Å; F88-N92 WeakPolarHBondContact CD2-OD1 3.41Å; F88-N92 HydrophobicContact CE1-CB 4.13Å; F88-N92 HydrophobicContact CE2-CB 3.48Å; F88-N92 VanDerWaalsContact CE2-CB 3.48Å; F88-N92 HydrophobicContact CG-CB 4.02Å; F88-N92 HydrophobicContact CZ-CB 3.78Å; F88-N92 WeakPolarHBondContact O-CA 3.38Å; F88-N92 WeakPolarHBondContact O-CB 3.32Å; F88-N92 PolarHBondContact O-N 3.32Å; N92-W94 VanDerWaalsContact C-N 3.31Å; N92-W94 PolarHBondContact O-N 3.33Å; N92-K95 PolarHBondContact O-N 2.96Å; N92-N96 WeakPolarHBondContact O-CB 3.28Å; N92-N96 PolarHBondContact O-N 3.39Å; N92-N96 PolarHBondContact O-ND2 2.82Å
93	L	94.2	Very high	94.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.203	C	C	.	.	I	π-helix	trans	-61.5	-45.6	178.3	-176.2	64.3	0	0	0	110.2	I65 V69 F88 L89 N96 L97 F155	I65-L93 HydrophobicContact CB-CD1 4.48Å; I65-L93 HydrophobicContact CD1-CD1 3.74Å; I65-L93 HydrophobicContact CG1-CD1 3.91Å; I65-L93 HydrophobicContact CG2-CD1 3.74Å; V69-L93 HydrophobicContact CG2-CD1 4Å; F88-L93 PolarHBondContact O-N 3.24Å; L89-L93 HydrophobicContact CD1-CB 4.25Å; L89-L93 HydrophobicContact CD1-CD2 3.32Å; L89-L93 HydrophobicContact CD1-CG 4.3Å; L93-N96 WeakPolarHBondContact O-CB 3.22Å; L93-N96 PolarHBondContact O-N 3.23Å; L93-N96 VanDerWaalsContact O-N 3.11Å; L93-L97 HydrophobicContact CD1-CD1 4.3Å; L93-L97 HydrophobicContact CD2-CD1 4.44Å; L93-L97 HydrophobicContact CG-CD1 3.93Å; L93-L97 WeakPolarHBondContact O-CG 3.49Å; L93-L97 PolarHBondContact O-N 2.91Å; L93-F155 HydrophobicContact CD1-CD2 4.1Å; L93-F155 HydrophobicContact CD1-CE2 4.23Å; L93-F155 HydrophobicContact CD2-CB 3.98Å; L93-F155 HydrophobicContact CD2-CD1 3.88Å; L93-F155 HydrophobicContact CD2-CD2 3.82Å; L93-F155 HydrophobicContact CD2-CE1 4.35Å; L93-F155 HydrophobicContact CD2-CE2 4.3Å; L93-F155 HydrophobicContact CD2-CG 3.6Å
94	W	95.3	Very high	94.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.7	-42.5	-179.4	-129.2	-105.9	0	0	0	113.2	L89 K90 N92 N96 L97 F98 K100 A102 M117 E119 N148 V152 Y175	L89-W94 HydrophobicContact CD1-CE3 4.45Å; L89-W94 HydrophobicContact CD1-CZ3 4.38Å; L89-W94 PolarHBondContact O-N 2.9Å; K90-W94 WeakPolarHBondContact O-CB 3.46Å; N92-W94 VanDerWaalsContact C-N 3.31Å; N92-W94 PolarHBondContact O-N 3.33Å; W94-N96 VanDerWaalsContact C-N 3.25Å; W94-N96 PolarHBondContact O-N 3.13Å; W94-L97 PolarHBondContact O-N 2.88Å; W94-L97 VanDerWaalsContact O-N 3.16Å; W94-F98 AromaticContact CD1-CD2 3.87Å; W94-F98 HydrophobicContact CD2-CD2 4.14Å; W94-F98 HydrophobicContact CD2-CE2 4.31Å; W94-F98 AromaticContact CE2-CD2 3.8Å; W94-F98 AromaticContact CE2-CE2 3.88Å; W94-F98 HydrophobicContact CG-CD2 4.19Å; W94-F98 HydrophobicContact CH2-CE2 4.39Å; W94-F98 HydrophobicContact CZ2-CD2 4.32Å; W94-F98 AromaticContact CZ2-CE2 3.94Å; W94-F98 HydrophobicContact CZ2-CE2 3.94Å; W94-F98 AromaticContact NE1-CD2 3.62Å; W94-F98 PolarHBondContact O-N 3.45Å; W94-K100 CarbonylContact C-O 3.5Å; W94-K100 WeakPolarHBondContact CB-O 3.21Å; W94-A102 VanDerWaalsContact CD1-N 3.27Å; W94-A102 HydrophobicContact CD2-CB 4.23Å; W94-A102 HydrophobicContact CG-CB 4.09Å; W94-M117 HydrophobicContact CD2-CE 4.43Å; W94-M117 HydrophobicContact CE3-CE 3.79Å; W94-M117 HydrophobicContact CE3-SD 4.21Å; W94-M117 HydrophobicContact CH2-CE 3.32Å; W94-M117 HydrophobicContact CZ2-CE 4.02Å; W94-M117 HydrophobicContact CZ3-CE 3.21Å; W94-M117 HydrophobicContact CZ3-SD 4.22Å; W94-E119 HydrophobicContact CZ2-CG 4.34Å; W94-E119 WeakPolarHBondContact CZ2-OE2 3.48Å; W94-E119 PolarHBondContact NE1-OE1 3.42Å; W94-E119 PolarHBondContact NE1-OE2 2.96Å; W94-N148 HydrophobicContact CH2-CB 4.25Å; W94-V152 HydrophobicContact CH2-CG2 3.89Å; W94-V152 HydrophobicContact CZ3-CG2 3.64Å; W94-Y175 HydrophobicContact CH2-CD2 4.08Å; W94-Y175 AromaticContact CH2-CE2 3.56Å; W94-Y175 HydrophobicContact CH2-CE2 3.56Å; W94-Y175 AromaticContact CH2-CZ 3.86Å; W94-Y175 HydrophobicContact CZ2-CD2 4.26Å; W94-Y175 AromaticContact CZ2-CE2 3.38Å; W94-Y175 HydrophobicContact CZ2-CE2 3.38Å; W94-Y175 AromaticContact CZ2-CZ 3.73Å
95	K	92.5	Very high	94.9	Very high	79 Å²	79	37 Å²	37	34%	0.343	18%	0.183	S	C	.	.	H	α-helix	trans	-63.1	-31.7	173	-80	173.8	179.5	162.4	0	112.6	R21 I91 N92 N99 K100 E101	R21-K95 PolarHBondContact NH2-O 2.88Å; I91-K95 HydrophobicContact CG2-CD 4.17Å; I91-K95 WeakPolarHBondContact O-CB 3.43Å; I91-K95 WeakPolarHBondContact O-CG 3.33Å; I91-K95 PolarHBondContact O-N 3.48Å; N92-K95 PolarHBondContact O-N 2.96Å; K95-N99 VanDerWaalsContact O-CA 3.3Å; K95-N99 WeakPolarHBondContact O-CA 3.48Å; K95-N99 PolarHBondContact O-N 3.25Å; K95-N99 VanDerWaalsContact O-N 3.14Å; K95-K100 WeakPolarHBondContact CA-O 3.4Å; K95-K100 PolarHBondContact N-O 3.25Å; K95-E101 HydrophobicContact CD-CG 4.34Å; K95-E101 VanDerWaalsContact CE-CG 3.41Å; K95-E101 WeakPolarHBondContact CE-OE1 3.41Å; K95-E101 HydrophobicContact CG-CG 4.3Å; K95-E101 IonicContact NZ-OE1 3.68Å; K95-E101 PolarHBondContact NZ-OE1 3.06Å
96	N	89.2	Confident	95.1	Very high	40 Å²	40	39.7 Å²	39.7	21%	0.214	20%	0.195	C	C	.	.	H	α-helix	trans	-72.8	-32.7	175.9	-87.2	-89.5	0	0	0	112.3	V69 R72 D73 N92 L93 W94	V69-N96 HydrophobicContact CG2-CB 3.79Å; R72-N96 PolarHBondContact NH1-OD1 2.94Å; D73-N96 PolarHBondContact OD2-ND2 3.11Å; N92-N96 WeakPolarHBondContact O-CB 3.28Å; N92-N96 PolarHBondContact O-N 3.39Å; N92-N96 PolarHBondContact O-ND2 2.82Å; L93-N96 WeakPolarHBondContact O-CB 3.22Å; L93-N96 PolarHBondContact O-N 3.23Å; L93-N96 VanDerWaalsContact O-N 3.11Å; W94-N96 VanDerWaalsContact C-N 3.25Å; W94-N96 PolarHBondContact O-N 3.13Å
97	L	92.3	Very high	95	Very high	45 Å²	45	45.4 Å²	45.4	24%	0.236	22%	0.216	C	C	.	.	H	α-helix	trans	-84.4	-46.5	179.4	-70.3	168.7	0	0	0	113.1	I65 L93 W94 I151	I65-L97 HydrophobicContact CD1-CD2 3.38Å; I65-L97 HydrophobicContact CD1-CG 3.82Å; L93-L97 HydrophobicContact CD1-CD1 4.3Å; L93-L97 HydrophobicContact CD2-CD1 4.44Å; L93-L97 HydrophobicContact CG-CD1 3.93Å; L93-L97 WeakPolarHBondContact O-CG 3.49Å; L93-L97 PolarHBondContact O-N 2.91Å; W94-L97 PolarHBondContact O-N 2.88Å; W94-L97 VanDerWaalsContact O-N 3.16Å; L97-I151 HydrophobicContact CD1-CD1 4.48Å; L97-I151 HydrophobicContact CD1-CG2 3.91Å; L97-I151 HydrophobicContact CD2-CD1 4.48Å
98	F	92	Very high	95.1	Very high	42 Å²	42	45.1 Å²	45.1	18%	0.184	22%	0.215	C	C	.	.	H	α-helix	trans	-127.7	3.7	-164.9	-54.6	-62	0	0	0	114.2	W94 K100 V123 M124 N148	W94-F98 AromaticContact CD1-CD2 3.87Å; W94-F98 HydrophobicContact CD2-CD2 4.14Å; W94-F98 HydrophobicContact CD2-CE2 4.31Å; W94-F98 AromaticContact CE2-CD2 3.8Å; W94-F98 AromaticContact CE2-CE2 3.88Å; W94-F98 HydrophobicContact CG-CD2 4.19Å; W94-F98 HydrophobicContact CH2-CE2 4.39Å; W94-F98 HydrophobicContact CZ2-CD2 4.32Å; W94-F98 AromaticContact CZ2-CE2 3.94Å; W94-F98 HydrophobicContact CZ2-CE2 3.94Å; W94-F98 AromaticContact NE1-CD2 3.62Å; W94-F98 PolarHBondContact O-N 3.45Å; F98-K100 HydrophobicContact CB-CG 4.1Å; F98-K100 PolarHBondContact O-N 3.48Å; F98-K100 VanDerWaalsContact O-N 3.16Å; F98-V123 HydrophobicContact CD1-CB 4.28Å; F98-V123 HydrophobicContact CD1-CG2 4.15Å; F98-M124 HydrophobicContact CE1-SD 4.2Å; F98-N148 WeakPolarHBondContact CZ-ND2 3.29Å; F98-N148 WeakPolarHBondContact CZ-OD1 3.45Å
99	N	91	Very high	95.1	Very high	102 Å²	102	48.9 Å²	48.9	55%	0.545	26%	0.255	S	S	.	.	S	Bend	trans	56.5	26.6	-177.5	-164.3	35.7	0	0	0	114.3	R21 K95	R21-N99 PolarHBondContact NH1-OD1 2.89Å; R21-N99 PolarHBondContact NH2-OD1 3.35Å; K95-N99 VanDerWaalsContact O-CA 3.3Å; K95-N99 WeakPolarHBondContact O-CA 3.48Å; K95-N99 PolarHBondContact O-N 3.25Å; K95-N99 VanDerWaalsContact O-N 3.14Å
100	K	93.7	Very high	95	Very high	62 Å²	62	55.6 Å²	55.6	27%	0.27	30%	0.295	S	S	.	.	S	Bend	trans	-146.8	166.1	172.5	62.7	167.3	-176.4	153.1	0	110	W94 K95 F98 E119 E121	W94-K100 CarbonylContact C-O 3.5Å; W94-K100 WeakPolarHBondContact CB-O 3.21Å; K95-K100 WeakPolarHBondContact CA-O 3.4Å; K95-K100 PolarHBondContact N-O 3.25Å; F98-K100 HydrophobicContact CB-CG 4.1Å; F98-K100 PolarHBondContact O-N 3.48Å; F98-K100 VanDerWaalsContact O-N 3.16Å; K100-E119 WeakPolarHBondContact CE-OE1 3.47Å; K100-E119 IonicContact NZ-OE1 2.55Å; K100-E119 PolarHBondContact NZ-OE1 2.97Å; K100-E121 PolarHBondContact NZ-O 2.95Å
101	E	96.6	Very high	95	Very high	67 Å²	67	56.1 Å²	56.1	31%	0.313	30%	0.3	S	S	.	.			trans	-83.4	156.5	168.2	-56	-173.8	-173.5	0	0	109.9	K90 I91 K95	K90-E101 IonicContact NZ-OE2 3.39Å; K90-E101 PolarHBondContact NZ-OE2 3.31Å; K90-E101 WeakPolarHBondContact O-CA 3.2Å; I91-E101 HydrophobicContact CB-CG 4.45Å; I91-E101 HydrophobicContact CG1-CG 4.38Å; I91-E101 HydrophobicContact CG2-CG 4.2Å; K95-E101 HydrophobicContact CD-CG 4.34Å; K95-E101 VanDerWaalsContact CE-CG 3.41Å; K95-E101 WeakPolarHBondContact CE-OE1 3.41Å; K95-E101 HydrophobicContact CG-CG 4.3Å; K95-E101 IonicContact NZ-OE1 3.68Å; K95-E101 PolarHBondContact NZ-OE1 3.06Å
102	A	97.3	Very high	95	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.008	31%	0.31	C	S	.	.			trans	-64.4	150.4	160.3	0	0	0	0	0	109.5	K90 W94 M117 E119	K90-A102 VanDerWaalsContact CE-O 3.23Å; K90-A102 WeakPolarHBondContact CE-O 3.46Å; K90-A102 HydrophobicContact CG-CB 3.89Å; K90-A102 PolarHBondContact NZ-O 2.85Å; K90-A102 PolarHBondContact O-N 2.96Å; W94-A102 VanDerWaalsContact CD1-N 3.27Å; W94-A102 HydrophobicContact CD2-CB 4.23Å; W94-A102 HydrophobicContact CG-CB 4.09Å; A102-M117 HydrophobicContact CB-CG 3.62Å; A102-M117 HydrophobicContact CB-SD 3.77Å; A102-E119 HydrophobicContact CB-CG 4.31Å
103	D	98.1	Very high	95.2	Very high	66 Å²	66	57.4 Å²	57.4	35%	0.353	30%	0.304	S	S	.	.	S	Bend	trans	-73.5	-52.8	-168.1	-62.8	-54.1	0	0	0	110.9	I118 E119 H120	D103-I118 WeakPolarHBondContact CB-O 3.5Å; D103-I118 PolarHBondContact N-O 3.31Å; D103-E119 VanDerWaalsContact OD2-CA 3.3Å; D103-E119 WeakPolarHBondContact OD2-CA 3.34Å; D103-H120 IonicContact OD2-CG 4Å; D103-H120 PolarHBondContact OD2-N 3.17Å; D103-H120 IonicContact OD2-ND1 2.98Å; D103-H120 PolarHBondContact OD2-ND1 3.3Å
104	E	98.2	Very high	95.3	Very high	60 Å²	60	58.5 Å²	58.5	28%	0.28	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	155.3	-176.8	-50.9	176.3	-175.6	0	0	111.6	M117 I118 H120 K171	E104-M117 WeakPolarHBondContact O-CA 3.43Å; E104-I118 HydrophobicContact CB-CB 4.07Å; E104-I118 HydrophobicContact CB-CD1 3.98Å; E104-I118 PolarHBondContact N-O 3.39Å; E104-I118 PolarHBondContact O-N 3.19Å; E104-H120 IonicContact OE1-CE1 3.26Å; E104-H120 IonicContact OE1-NE2 2.65Å; E104-K171 IonicContact OE2-NZ 2.68Å; E104-K171 PolarHBondContact OE2-NZ 3.35Å
105	L	98.2	Very high	95.5	Very high	44 Å²	44	59.6 Å²	59.6	23%	0.23	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	115	169.3	177.2	73	0	0	0	107.6	L86 I87 K90 Y116 M117	L86-L105 HydrophobicContact CB-CD1 4.41Å; L86-L105 HydrophobicContact CB-CD2 3.69Å; L86-L105 HydrophobicContact CD2-CD1 4.46Å; I87-L105 HydrophobicContact CD1-CD2 4.01Å; K90-L105 HydrophobicContact CD-CB 4.13Å; L105-Y116 CarbonylContact C-O 3.52Å; L105-Y116 VanDerWaalsContact CA-O 3.32Å; L105-Y116 WeakPolarHBondContact CA-O 3.36Å; L105-M117 HydrophobicContact CD1-CB 4.27Å
106	E	97.5	Very high	95.8	Very high	57 Å²	57	58 Å²	58	27%	0.266	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	153.7	-178	-52.7	-175.2	145.4	0	0	109.8	F115 Y116 I118 Y170 K171	E106-F115 CarbonylContact O-C 3.07Å; E106-F115 VanDerWaalsContact O-CA 3.27Å; E106-F115 WeakPolarHBondContact O-CA 3.38Å; E106-Y116 PolarHBondContact N-O 3.02Å; E106-Y116 PolarHBondContact O-N 3.06Å; E106-I118 HydrophobicContact CG-CD1 4.01Å; E106-I118 WeakPolarHBondContact OE2-CD1 3.41Å; E106-Y170 PolarHBondContact OE2-OH 3.46Å; E106-K171 IonicContact OE1-NZ 3.14Å; E106-K171 PolarHBondContact OE1-NZ 2.86Å; E106-K171 IonicContact OE2-NZ 3.55Å
107	R	97	Very high	96.2	Very high	121 Å²	121	56.1 Å²	56.1	46%	0.457	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	143.1	166.2	-170.2	-178.1	-169.5	-165.1	3.2	107.8	E112 F115	R107-E112 PolarHBondContact NE-O 3.09Å; R107-E112 VanDerWaalsContact NH2-CG 3.25Å; R107-E112 PolarHBondContact NH2-O 3.05Å; R107-E112 IonicContact NH2-OE2 2.71Å; R107-E112 PolarHBondContact NH2-OE2 3.44Å; R107-F115 HydrophobicContact CB-CD1 3.91Å; R107-F115 HydrophobicContact CB-CE1 3.81Å; R107-F115 HydrophobicContact CG-CD1 4.02Å; R107-F115 HydrophobicContact CG-CE1 3.66Å; R107-F115 HydrophobicContact CG-CE2 4.39Å; R107-F115 HydrophobicContact CG-CZ 3.88Å
108	D	96.9	Very high	96.5	Very high	42 Å²	42	54 Å²	54	23%	0.225	29%	0.285	C	S	.	.			trans	-61.8	144.7	173.4	-171.4	70.3	0	0	0	111.2	V110 D111 I114 Y116	D108-V110 VanDerWaalsContact C-N 3.31Å; D108-V110 WeakPolarHBondContact OD2-CA 3.36Å; D108-V110 PolarHBondContact OD2-N 2.94Å; D108-D111 WeakPolarHBondContact CB-O 3.43Å; D108-D111 PolarHBondContact OD2-N 3.12Å; D108-I114 HydrophobicContact CB-CB 3.73Å; D108-I114 HydrophobicContact CB-CG2 3.92Å; D108-I114 PolarHBondContact N-O 3.18Å; D108-Y116 HydrophobicContact CB-CE2 3.69Å; D108-Y116 WeakPolarHBondContact OD1-CE2 3.49Å; D108-Y116 PolarHBondContact OD1-OH 3.04Å; D108-Y116 VanDerWaalsContact OD1-OH 3.07Å
109	G	94.8	Very high	96.8	Very high	82 Å²	82	52 Å²	52	85%	0.845	28%	0.277	S	S	*	.	S	Bend	trans	-78.8	-13.2	-177.3	0	0	0	0	0	114.2
110	V	95.7	Very high	97	Very high	141 Å²	141	51.5 Å²	51.5	86%	0.855	27%	0.271	S	S	*	.	S	Bend	trans	-120.7	-51.8	-174	-176.3	0	0	0	0	111	D108	D108-V110 VanDerWaalsContact C-N 3.31Å; D108-V110 WeakPolarHBondContact OD2-CA 3.36Å; D108-V110 PolarHBondContact OD2-N 2.94Å
111	D	96.2	Very high	96.9	Very high	44 Å²	44	56.2 Å²	56.2	24%	0.235	29%	0.294	C	S	.	.			trans	-96	103.4	178.9	-169.5	-15.8	0	0	0	110.9	D108 N113 I114	D108-D111 WeakPolarHBondContact CB-O 3.43Å; D108-D111 PolarHBondContact OD2-N 3.12Å; D111-N113 PolarHBondContact O-N 3.37Å; D111-N113 VanDerWaalsContact OD1-CB 3.29Å; D111-N113 WeakPolarHBondContact OD1-CB 3.34Å; D111-N113 PolarHBondContact OD1-N 3.03Å; D111-N113 PolarHBondContact OD1-ND2 3.49Å; D111-I114 HydrophobicContact CB-CB 4.31Å; D111-I114 HydrophobicContact CB-CD1 3.83Å; D111-I114 HydrophobicContact CB-CG1 3.95Å; D111-I114 PolarHBondContact O-N 3.34Å; D111-I114 WeakPolarHBondContact OD2-CD1 3.38Å
112	E	94.6	Very high	96.7	Very high	92 Å²	92	53.4 Å²	53.4	43%	0.43	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-17.4	177.6	-80.6	-165.3	-158	0	0	115.4	R107 N184 R188	R107-E112 PolarHBondContact NE-O 3.09Å; R107-E112 VanDerWaalsContact NH2-CG 3.25Å; R107-E112 PolarHBondContact NH2-O 3.05Å; R107-E112 IonicContact NH2-OE2 2.71Å; R107-E112 PolarHBondContact NH2-OE2 3.44Å; E112-N184 PolarHBondContact O-ND2 2.84Å; E112-R188 IonicContact OE2-NH2 3.72Å; E112-R188 PolarHBondContact OE2-NH2 3.28Å
113	N	96.9	Very high	96.3	Very high	19 Å²	19	55 Å²	55	10%	0.102	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-7.5	177.4	-64.8	-65.9	0	0	0	113.2	D111 F179 E181 N184	D111-N113 PolarHBondContact O-N 3.37Å; D111-N113 VanDerWaalsContact OD1-CB 3.29Å; D111-N113 WeakPolarHBondContact OD1-CB 3.34Å; D111-N113 PolarHBondContact OD1-N 3.03Å; D111-N113 PolarHBondContact OD1-ND2 3.49Å; N113-F179 PolarHBondContact O-N 3.1Å; N113-E181 PolarHBondContact ND2-OE2 3.5Å; N113-N184 VanDerWaalsContact CG-ND2 3.32Å; N113-N184 VanDerWaalsContact OD1-CG 3.27Å; N113-N184 PolarHBondContact OD1-ND2 2.95Å
114	I	98.3	Very high	95.9	Very high	23 Å²	23	52 Å²	52	12%	0.118	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	132.1	-175.9	-61.7	-180	0	0	0	110.9	D108 D111 Y116 V176 I177 K178	D108-I114 HydrophobicContact CB-CB 3.73Å; D108-I114 HydrophobicContact CB-CG2 3.92Å; D108-I114 PolarHBondContact N-O 3.18Å; D111-I114 HydrophobicContact CB-CB 4.31Å; D111-I114 HydrophobicContact CB-CD1 3.83Å; D111-I114 HydrophobicContact CB-CG1 3.95Å; D111-I114 PolarHBondContact O-N 3.34Å; D111-I114 WeakPolarHBondContact OD2-CD1 3.38Å; I114-Y116 HydrophobicContact CG2-CE1 4.29Å; I114-Y116 HydrophobicContact CG2-CE2 3.96Å; I114-V176 HydrophobicContact CG2-CG1 3.75Å; I114-I177 CarbonylContact C-O 3.27Å; I114-I177 WeakPolarHBondContact CA-O 3.39Å; I114-K178 HydrophobicContact CD1-CD 4.3Å; I114-K178 HydrophobicContact CG1-CB 4.14Å; I114-K178 HydrophobicContact CG1-CD 4.3Å; I114-K178 HydrophobicContact CG1-CG 3.99Å
115	F	98.6	Very high	95.5	Very high	22 Å²	22	50.1 Å²	50.1	10%	0.096	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	148.9	172.5	-67.3	-101	0	0	0	109.9	L82 L86 E106 R107 I177 F179	L82-F115 HydrophobicContact CD2-CE2 3.9Å; L82-F115 HydrophobicContact CD2-CZ 4.04Å; L86-F115 HydrophobicContact CD1-CB 4.49Å; L86-F115 HydrophobicContact CD1-CD1 3.5Å; L86-F115 VanDerWaalsContact CD1-CD1 3.5Å; L86-F115 HydrophobicContact CD1-CD2 4.21Å; L86-F115 HydrophobicContact CD1-CE1 3.6Å; L86-F115 HydrophobicContact CD1-CE2 4.31Å; L86-F115 HydrophobicContact CD1-CG 3.81Å; L86-F115 HydrophobicContact CD1-CZ 4.01Å; E106-F115 CarbonylContact O-C 3.07Å; E106-F115 VanDerWaalsContact O-CA 3.27Å; E106-F115 WeakPolarHBondContact O-CA 3.38Å; R107-F115 HydrophobicContact CB-CD1 3.91Å; R107-F115 HydrophobicContact CB-CE1 3.81Å; R107-F115 HydrophobicContact CG-CD1 4.02Å; R107-F115 HydrophobicContact CG-CE1 3.66Å; R107-F115 HydrophobicContact CG-CE2 4.39Å; R107-F115 HydrophobicContact CG-CZ 3.88Å; F115-I177 HydrophobicContact CB-CB 4.42Å; F115-I177 PolarHBondContact N-O 3.08Å; F115-I177 PolarHBondContact O-N 3.19Å; F115-F179 AromaticContact CD2-CD2 3.7Å; F115-F179 HydrophobicContact CD2-CD2 3.7Å; F115-F179 AromaticContact CD2-CE2 3.54Å; F115-F179 HydrophobicContact CD2-CE2 3.54Å; F115-F179 AromaticContact CE2-CD2 3.95Å; F115-F179 HydrophobicContact CE2-CD2 3.95Å; F115-F179 AromaticContact CE2-CE2 3.98Å; F115-F179 HydrophobicContact CE2-CE2 3.98Å; F115-F179 HydrophobicContact CG-CE2 4.31Å
116	Y	98.5	Very high	94.8	Very high	46 Å²	46	57.7 Å²	57.7	18%	0.18	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	118.4	176.7	-58.2	-84.2	0	0	0	108.9	L105 E106 D108 I114 A174 V176	L105-Y116 CarbonylContact C-O 3.52Å; L105-Y116 VanDerWaalsContact CA-O 3.32Å; L105-Y116 WeakPolarHBondContact CA-O 3.36Å; E106-Y116 PolarHBondContact N-O 3.02Å; E106-Y116 PolarHBondContact O-N 3.06Å; D108-Y116 HydrophobicContact CB-CE2 3.69Å; D108-Y116 WeakPolarHBondContact OD1-CE2 3.49Å; D108-Y116 PolarHBondContact OD1-OH 3.04Å; D108-Y116 VanDerWaalsContact OD1-OH 3.07Å; I114-Y116 HydrophobicContact CG2-CE1 4.29Å; I114-Y116 HydrophobicContact CG2-CE2 3.96Å; Y116-A174 HydrophobicContact CD1-CB 4.28Å; Y116-V176 HydrophobicContact CD1-CB 4.42Å; Y116-V176 HydrophobicContact CD1-CG1 4.32Å; Y116-V176 HydrophobicContact CD1-CG2 3.93Å; Y116-V176 HydrophobicContact CE1-CB 4.3Å; Y116-V176 HydrophobicContact CE1-CG1 3.84Å; Y116-V176 HydrophobicContact CE1-CG2 3.79Å
117	M	98.4	Very high	93.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.2	164.5	-177.4	174.1	65.3	0	0	108.1	L89 W94 A102 E104 L105 V152 A174 Y175 I177	L89-M117 HydrophobicContact CD1-CE 4.45Å; L89-M117 HydrophobicContact CD2-CE 4.15Å; L89-M117 HydrophobicContact CD2-SD 4.03Å; L89-M117 HydrophobicContact CG-CE 4.18Å; L89-M117 HydrophobicContact CG-SD 3.87Å; W94-M117 HydrophobicContact CD2-CE 4.43Å; W94-M117 HydrophobicContact CE3-CE 3.79Å; W94-M117 HydrophobicContact CE3-SD 4.21Å; W94-M117 HydrophobicContact CH2-CE 3.32Å; W94-M117 HydrophobicContact CZ2-CE 4.02Å; W94-M117 HydrophobicContact CZ3-CE 3.21Å; W94-M117 HydrophobicContact CZ3-SD 4.22Å; A102-M117 HydrophobicContact CB-CG 3.62Å; A102-M117 HydrophobicContact CB-SD 3.77Å; E104-M117 WeakPolarHBondContact O-CA 3.43Å; L105-M117 HydrophobicContact CD1-CB 4.27Å; M117-V152 HydrophobicContact CE-CG1 4.49Å; M117-V152 HydrophobicContact CE-CG2 3.64Å; M117-A174 WeakPolarHBondContact O-CA 3.49Å; M117-Y175 HydrophobicContact CB-CD2 4.21Å; M117-Y175 HydrophobicContact CE-CD2 3.47Å; M117-Y175 VanDerWaalsContact CE-CD2 3.47Å; M117-Y175 HydrophobicContact CE-CE2 4.06Å; M117-Y175 HydrophobicContact CE-CG 4.14Å; M117-Y175 HydrophobicContact CG-CD2 4.26Å; M117-Y175 PolarHBondContact N-O 3.23Å; M117-Y175 VanDerWaalsContact O-CD2 3.25Å; M117-Y175 WeakPolarHBondContact O-CD2 3.39Å; M117-Y175 PolarHBondContact O-N 3.17Å; M117-I177 HydrophobicContact CB-CD1 4.33Å
118	I	98.3	Very high	93	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137.8	-169.6	-61.5	152.8	0	0	0	110	D103 E104 E106 Y170 K171 T173 A174	D103-I118 WeakPolarHBondContact CB-O 3.5Å; D103-I118 PolarHBondContact N-O 3.31Å; E104-I118 HydrophobicContact CB-CB 4.07Å; E104-I118 HydrophobicContact CB-CD1 3.98Å; E104-I118 PolarHBondContact N-O 3.39Å; E104-I118 PolarHBondContact O-N 3.19Å; E106-I118 HydrophobicContact CG-CD1 4.01Å; E106-I118 WeakPolarHBondContact OE2-CD1 3.41Å; I118-Y170 HydrophobicContact CD1-CD1 4.23Å; I118-Y170 HydrophobicContact CD1-CE1 3.93Å; I118-Y170 HydrophobicContact CG1-CD1 4.34Å; I118-K171 HydrophobicContact CD1-CD 3.85Å; I118-K171 HydrophobicContact CG2-CB 3.88Å; I118-K171 WeakPolarHBondContact CG2-O 3.3Å; I118-T173 WeakPolarHBondContact CA-O 3.41Å; I118-A174 HydrophobicContact CG1-CB 4.08Å
119	E	97.1	Very high	92.1	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	119.3	165.2	-77.7	-153.9	111.7	0	0	110.6	W94 K100 A102 D103 E121 P122 T173 Y175	W94-E119 HydrophobicContact CZ2-CG 4.34Å; W94-E119 WeakPolarHBondContact CZ2-OE2 3.48Å; W94-E119 PolarHBondContact NE1-OE1 3.42Å; W94-E119 PolarHBondContact NE1-OE2 2.96Å; K100-E119 WeakPolarHBondContact CE-OE1 3.47Å; K100-E119 IonicContact NZ-OE1 2.55Å; K100-E119 PolarHBondContact NZ-OE1 2.97Å; A102-E119 HydrophobicContact CB-CG 4.31Å; D103-E119 VanDerWaalsContact OD2-CA 3.3Å; D103-E119 WeakPolarHBondContact OD2-CA 3.34Å; E119-E121 VanDerWaalsContact C-N 3.32Å; E119-P122 HydrophobicContact CB-CB 4.37Å; E119-P122 HydrophobicContact CB-CG 3.85Å; E119-P122 WeakPolarHBondContact O-CD 2.93Å; E119-T173 PolarHBondContact N-O 3.47Å; E119-T173 PolarHBondContact O-N 2.99Å; E119-Y175 HydrophobicContact CB-CE2 4.48Å; E119-Y175 HydrophobicContact CG-CE2 4.1Å; E119-Y175 PolarHBondContact OE2-OH 2.93Å; E119-Y175 VanDerWaalsContact OE2-OH 3.05Å
120	H	95.8	Very high	91.6	Very high	91 Å²	91	58.5 Å²	58.5	42%	0.421	28%	0.277	S	S	.	.	S	Bend	trans	-64.7	-40.7	175.7	-60.2	125.8	0	0	0	111	D103 E104 K171	D103-H120 IonicContact OD2-CG 4Å; D103-H120 PolarHBondContact OD2-N 3.17Å; D103-H120 IonicContact OD2-ND1 2.98Å; D103-H120 PolarHBondContact OD2-ND1 3.3Å; E104-H120 IonicContact OE1-CE1 3.26Å; E104-H120 IonicContact OE1-NE2 2.65Å; H120-K171 PolarHBondContact CD2-O 3.18Å
121	E	92	Very high	90.9	Very high	161 Å²	161	57.1 Å²	57.1	75%	0.752	26%	0.264	S	S	*	.	S	Bend	trans	-131.7	80.7	179.9	-61.8	-170.1	143.3	0	0	111.2	K100 E119 V123	K100-E121 PolarHBondContact NZ-O 2.95Å; E119-E121 VanDerWaalsContact C-N 3.32Å; E121-V123 PolarHBondContact O-N 2.82Å
122	P	92.6	Very high	89.8	Confident	8 Å²	8	56.5 Å²	56.5	5%	0.052	26%	0.259	C	S	.	.			trans	-66	130.9	174.2	-14.1	26.9	0	0	0	110.3	E119 M124 N125 R126 A145 T173	E119-P122 HydrophobicContact CB-CB 4.37Å; E119-P122 HydrophobicContact CB-CG 3.85Å; E119-P122 WeakPolarHBondContact O-CD 2.93Å; P122-M124 PolarHBondContact O-N 2.65Å; P122-M124 VanDerWaalsContact O-N 3.09Å; P122-N125 HydrophobicContact CB-CB 4.46Å; P122-N125 PolarHBondContact O-N 3.32Å; P122-R126 PolarHBondContact O-N 3.26Å; P122-A145 HydrophobicContact CB-CB 4.16Å; P122-T173 VanDerWaalsContact CG-CB 3.49Å; P122-T173 HydrophobicContact CG-CG2 4.33Å; P122-T173 WeakPolarHBondContact CG-OG1 3.49Å
123	V	89.4	Confident	88.5	Confident	36 Å²	36	60.3 Å²	60.3	22%	0.218	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-55	-34.2	178.8	179.3	0	0	0	0	111.4	I26 F98 E121 N125 R126 F127	I26-V123 HydrophobicContact CD1-CG1 3.98Å; F98-V123 HydrophobicContact CD1-CB 4.28Å; F98-V123 HydrophobicContact CD1-CG2 4.15Å; E121-V123 PolarHBondContact O-N 2.82Å; V123-N125 PolarHBondContact O-N 3.29Å; V123-R126 PolarHBondContact O-N 3.2Å; V123-F127 HydrophobicContact CG1-CE2 4.22Å
124	M	88	Confident	87	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.005	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-64.3	-37.4	-179.2	-49.4	-51	-65.9	0	0	112.7	F29 F33 F98 P122 R126 V144 A145 F147 N148	F29-M124 HydrophobicContact CE1-CE 4.18Å; F29-M124 HydrophobicContact CE1-SD 4.02Å; F29-M124 HydrophobicContact CZ-CE 3.63Å; F29-M124 HydrophobicContact CZ-SD 3.69Å; F33-M124 HydrophobicContact CD1-CE 3.67Å; F33-M124 HydrophobicContact CD2-CE 3.43Å; F33-M124 VanDerWaalsContact CD2-CE 3.43Å; F33-M124 HydrophobicContact CE1-CB 4.18Å; F33-M124 HydrophobicContact CE1-CE 3.35Å; F33-M124 HydrophobicContact CE2-CE 3.09Å; F33-M124 HydrophobicContact CG-CE 3.72Å; F33-M124 HydrophobicContact CZ-CB 4.44Å; F33-M124 HydrophobicContact CZ-CE 3.07Å; F98-M124 HydrophobicContact CE1-SD 4.2Å; P122-M124 PolarHBondContact O-N 2.65Å; P122-M124 VanDerWaalsContact O-N 3.09Å; M124-R126 VanDerWaalsContact C-N 3.35Å; M124-V144 HydrophobicContact CB-CG2 4.25Å; M124-V144 WeakPolarHBondContact O-CG2 3.44Å; M124-A145 HydrophobicContact CB-CB 4.39Å; M124-F147 HydrophobicContact CE-CB 4.4Å; M124-F147 HydrophobicContact CE-CD1 3.56Å; M124-F147 HydrophobicContact CE-CE1 4.02Å; M124-F147 HydrophobicContact CE-CG 4.15Å; M124-F147 HydrophobicContact SD-CD1 4.44Å; M124-N148 VanDerWaalsContact CG-ND2 3.34Å; M124-N148 WeakPolarHBondContact CG-ND2 3.35Å; M124-N148 WeakPolarHBondContact CG-OD1 3.4Å
125	N	89.8	Confident	85.4	Confident	22 Å²	22	71.8 Å²	71.8	12%	0.118	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-83.4	-12.3	-175.9	-71	-5.6	0	0	0	112.6	P122 V123 F127 N143 V144 A145 W169 T173	P122-N125 HydrophobicContact CB-CB 4.46Å; P122-N125 PolarHBondContact O-N 3.32Å; V123-N125 PolarHBondContact O-N 3.29Å; N125-F127 VanDerWaalsContact C-N 3.35Å; N125-F127 PolarHBondContact O-N 3.49Å; N125-N143 PolarHBondContact ND2-OD1 3.08Å; N125-N143 PolarHBondContact OD1-OD1 3.49Å; N125-V144 WeakPolarHBondContact OD1-CG2 3.41Å; N125-V144 PolarHBondContact OD1-N 3.06Å; N125-A145 PolarHBondContact OD1-N 2.98Å; N125-W169 HydrophobicContact CB-CH2 4.45Å; N125-W169 WeakPolarHBondContact ND2-CH2 3.44Å; N125-T173 PolarHBondContact ND2-OG1 3.26Å
126	R	84.5	Confident	83.9	Confident	202 Å²	202	78 Å²	78	76%	0.762	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-66.6	-32.5	-175.1	-176.3	174.3	178.2	176.6	1.3	113.9	P122 V123 M124	P122-R126 PolarHBondContact O-N 3.26Å; V123-R126 PolarHBondContact O-N 3.2Å; M124-R126 VanDerWaalsContact C-N 3.35Å
127	F	78.9	Confident	82.4	Confident	76 Å²	76	81.8 Å²	81.8	33%	0.333	38%	0.382	S	S	.	.	S	Bend	trans	-105.8	-7.7	-168.3	-56	-71.3	0	0	0	114	I26 A30 V123 N125	I26-F127 HydrophobicContact CD1-CE2 3.89Å; I26-F127 HydrophobicContact CD1-CZ 4.06Å; I26-F127 HydrophobicContact CG1-CE1 4.42Å; I26-F127 HydrophobicContact CG1-CE2 3.79Å; I26-F127 HydrophobicContact CG1-CZ 3.43Å; I26-F127 VanDerWaalsContact CG1-CZ 3.43Å; A30-F127 HydrophobicContact CB-CB 3.97Å; A30-F127 HydrophobicContact CB-CD1 4Å; A30-F127 HydrophobicContact CB-CD2 3.83Å; A30-F127 HydrophobicContact CB-CE2 4.36Å; A30-F127 HydrophobicContact CB-CG 3.64Å; V123-F127 HydrophobicContact CG1-CE2 4.22Å; N125-F127 VanDerWaalsContact C-N 3.35Å; N125-F127 PolarHBondContact O-N 3.49Å
128	I	77.3	Confident	81.1	Confident	10 Å²	10	90.7 Å²	90.7	5%	0.051	42%	0.421	C	S	.	.			trans	-136.2	127.5	-168	-61.6	175.2	0	0	0	109.4	F33 V34 V37 F130 V144	F33-I128 HydrophobicContact CD1-CD1 3.46Å; F33-I128 VanDerWaalsContact CD1-CD1 3.46Å; F33-I128 HydrophobicContact CE1-CD1 3.73Å; F33-I128 HydrophobicContact CG-CD1 4.48Å; V34-I128 HydrophobicContact CB-CD1 4.22Å; V34-I128 HydrophobicContact CB-CG1 4.48Å; V34-I128 HydrophobicContact CG2-CD1 3.71Å; V34-I128 HydrophobicContact CG2-CG1 3.56Å; V37-I128 HydrophobicContact CB-CD1 4.23Å; V37-I128 HydrophobicContact CG1-CG2 4.44Å; V37-I128 HydrophobicContact CG2-CD1 3.71Å; I128-F130 HydrophobicContact CG2-CD2 3.2Å; I128-F130 HydrophobicContact CG2-CE2 3.28Å; I128-F130 HydrophobicContact CG2-CG 4.26Å; I128-F130 HydrophobicContact CG2-CZ 4.38Å; I128-V144 HydrophobicContact CB-CG2 4.36Å; I128-V144 HydrophobicContact CG2-CG1 4.07Å
129	Q	79.1	Confident	79.9	Confident	177 Å²	177	95 Å²	95	83%	0.827	45%	0.449	S	S	*	.			trans	-132.8	105.1	168	-68.4	-175.4	-19.9	0	0	108
130	F	83.2	Confident	79.1	Confident	56 Å²	56	96.3 Å²	96.3	25%	0.246	46%	0.46	C	S	.	.			trans	-115.8	135.3	167.6	-66.6	-69.6	0	0	0	107.6	V37 K38 M41 I128 L142	V37-F130 HydrophobicContact CB-CE2 4.37Å; V37-F130 HydrophobicContact CG1-CD2 3.69Å; V37-F130 HydrophobicContact CG1-CE2 3.65Å; K38-F130 HydrophobicContact CG-CZ 4.08Å; M41-F130 HydrophobicContact CE-CB 4.05Å; M41-F130 HydrophobicContact CE-CD1 3.98Å; M41-F130 HydrophobicContact CE-CD2 4.47Å; M41-F130 HydrophobicContact CE-CG 3.93Å; M41-F130 HydrophobicContact SD-CB 4.26Å; M41-F130 HydrophobicContact SD-CD1 4.16Å; M41-F130 HydrophobicContact SD-CD2 3.72Å; M41-F130 HydrophobicContact SD-CE1 4.45Å; M41-F130 HydrophobicContact SD-CE2 4.04Å; M41-F130 HydrophobicContact SD-CG 3.79Å; M41-F130 HydrophobicContact SD-CZ 4.41Å; I128-F130 HydrophobicContact CG2-CD2 3.2Å; I128-F130 HydrophobicContact CG2-CE2 3.28Å; I128-F130 HydrophobicContact CG2-CG 4.26Å; I128-F130 HydrophobicContact CG2-CZ 4.38Å; F130-L142 HydrophobicContact CB-CB 4.31Å; F130-L142 HydrophobicContact CB-CD2 4.39Å; F130-L142 HydrophobicContact CD2-CD2 4.5Å; F130-L142 WeakPolarHBondContact O-CB 3.38Å; F130-L142 PolarHBondContact O-N 2.89Å
131	N	80.5	Confident	78.7	Confident	112 Å²	112	94.4 Å²	94.4	60%	0.599	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	134.4	175	-62.1	-40.6	0	0	0	108.5
132	Y	73.1	Confident	78.7	Confident	31 Å²	31	87 Å²	87	12%	0.122	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.4	168.6	-92.2	-97.6	0	0	0	108.7	M41 M47 V50 P139 A140 L142	M41-Y132 WeakPolarHBondContact CB-OH 3.35Å; M41-Y132 HydrophobicContact CE-CE2 3.83Å; M41-Y132 HydrophobicContact CG-CE2 4.29Å; M41-Y132 WeakPolarHBondContact CG-OH 3.44Å; M47-Y132 HydrophobicContact CB-CD1 4.15Å; M47-Y132 HydrophobicContact CB-CD2 4.23Å; M47-Y132 HydrophobicContact CB-CG 3.82Å; M47-Y132 HydrophobicContact CG-CD2 4.25Å; M47-Y132 HydrophobicContact CG-CG 4.27Å; V50-Y132 HydrophobicContact CG2-CE1 4.43Å; V50-Y132 HydrophobicContact CG2-CE2 4.34Å; V50-Y132 VanDerWaalsContact CG2-OH 3.31Å; V50-Y132 WeakPolarHBondContact CG2-OH 3.4Å; Y132-P139 WeakPolarHBondContact O-CA 3.31Å; Y132-A140 PolarHBondContact N-O 2.88Å; Y132-L142 HydrophobicContact CD2-CB 4.19Å; Y132-L142 HydrophobicContact CD2-CD1 4.42Å; Y132-L142 HydrophobicContact CE2-CD1 4.35Å; Y132-L142 HydrophobicContact CE2-CD2 4.28Å
133	E	68.8	Low	78.8	Confident	173 Å²	173	86.7 Å²	86.7	81%	0.808	42%	0.419	S	S	*	.			trans	-90.8	103.9	167.7	-66.5	-179.5	-178.2	0	0	107.1
134	D	65.2	Low	79.1	Confident	79 Å²	79	85 Å²	85	42%	0.422	41%	0.409	S	S	.	.			trans	-88	148.7	161.3	-149.5	-37.8	0	0	0	108.9	D136 E137	D134-D136 VanDerWaalsContact C-N 3.28Å; D134-D136 PolarHBondContact O-N 3.04Å; D134-E137 HydrophobicContact CB-CB 4.13Å
135	K	64.3	Low	79.5	Confident	203 Å²	203	85 Å²	85	88%	0.883	41%	0.409	S	S	*	.	S	Bend	trans	-70	-30.3	-179.4	-68.9	-176.9	179.3	179.7	0	112.1
136	D	67.1	Low	79.9	Confident	153 Å²	153	84 Å²	84	82%	0.818	40%	0.404	S	S	*	.	S	Bend	trans	-106.7	-7	-171	-61.1	-46.8	0	0	0	113.2	D134	D134-D136 VanDerWaalsContact C-N 3.28Å; D134-D136 PolarHBondContact O-N 3.04Å
137	E	66.9	Low	80.5	Confident	126 Å²	126	75.2 Å²	75.2	59%	0.589	37%	0.371	S	S	*	.	S	Bend	trans	-124.6	157.2	-177.4	-59.2	-168.1	171.1	0	0	112.4	D134	D134-E137 HydrophobicContact CB-CB 4.13Å
138	K	71.6	Confident	81.4	Confident	187 Å²	187	71.7 Å²	71.7	81%	0.813	36%	0.356	S	S	*	.			trans	-61.9	140.1	171.2	-71.7	-178	-179.9	176.6	0	108.6	A140	K138-A140 PolarHBondContact O-N 3.17Å
139	P	72.1	Confident	82.4	Confident	91 Å²	91	71.2 Å²	71.2	59%	0.591	35%	0.354	S	S	*	.			trans	-51.1	114.7	174	-24.5	31.9	0	0	0	109.8	Y132	Y132-P139 WeakPolarHBondContact O-CA 3.31Å
140	A	81	Confident	83.3	Confident	27 Å²	27	62.8 Å²	62.8	22%	0.223	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	138.6	179.2	0	0	0	0	0	108.7	M47 Y132 K138 L142	M47-A140 HydrophobicContact CE-CB 4.24Å; M47-A140 HydrophobicContact SD-CB 4.33Å; Y132-A140 PolarHBondContact N-O 2.88Å; K138-A140 PolarHBondContact O-N 3.17Å; A140-L142 PolarHBondContact O-N 3.31Å
141	P	88.2	Confident	84.1	Confident	52 Å²	52	60.3 Å²	60.3	34%	0.338	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	135	171.6	26.4	-30.1	0	0	0	109.2	N143 W169	P141-N143 PolarHBondContact O-N 3.33Å; P141-W169 HydrophobicContact CB-CZ2 4.14Å; P141-W169 HydrophobicContact CG-CZ2 3.87Å; P141-W169 PolarHBondContact O-NE1 2.95Å
142	L	92.1	Very high	84.9	Confident	5 Å²	5	55 Å²	55	3%	0.026	28%	0.275	C	S	.	.			trans	-57.1	121.6	172.4	175.9	67.6	0	0	0	109.3	V37 M41 M47 V50 Q51 F130 Y132 A140 V144	V37-L142 HydrophobicContact CG1-CD2 3.83Å; M41-L142 HydrophobicContact CG-CD2 4.49Å; M41-L142 HydrophobicContact SD-CD2 4.34Å; M47-L142 HydrophobicContact CG-CD1 3.73Å; V50-L142 HydrophobicContact CB-CD1 4.18Å; V50-L142 HydrophobicContact CG1-CD1 3.93Å; V50-L142 HydrophobicContact CG1-CD2 3.89Å; Q51-L142 HydrophobicContact CG-CD1 3.62Å; F130-L142 HydrophobicContact CB-CB 4.31Å; F130-L142 HydrophobicContact CB-CD2 4.39Å; F130-L142 HydrophobicContact CD2-CD2 4.5Å; F130-L142 WeakPolarHBondContact O-CB 3.38Å; F130-L142 PolarHBondContact O-N 2.89Å; Y132-L142 HydrophobicContact CD2-CB 4.19Å; Y132-L142 HydrophobicContact CD2-CD1 4.42Å; Y132-L142 HydrophobicContact CE2-CD1 4.35Å; Y132-L142 HydrophobicContact CE2-CD2 4.28Å; A140-L142 PolarHBondContact O-N 3.31Å; L142-V144 HydrophobicContact CD2-CG1 3.7Å; L142-V144 HydrophobicContact CG-CG1 3.89Å; L142-V144 PolarHBondContact O-N 3.13Å; L142-V144 VanDerWaalsContact O-N 3.14Å
143	N	94.2	Very high	86.2	Confident	1 Å²	1	55 Å²	55	1%	0.005	28%	0.276	C	S	.	.			trans	-84.7	90.2	175.1	-162	-19	0	0	0	110	Q51 N125 P141 A145 A146 W169 T173	Q51-N143 VanDerWaalsContact OE1-CB 3.29Å; Q51-N143 VanDerWaalsContact OE1-N 3.13Å; Q51-N143 PolarHBondContact OE1-O 3.25Å; N125-N143 PolarHBondContact ND2-OD1 3.08Å; N125-N143 PolarHBondContact OD1-OD1 3.49Å; P141-N143 PolarHBondContact O-N 3.33Å; N143-A145 PolarHBondContact O-N 2.84Å; N143-A145 VanDerWaalsContact OD1-CB 3.24Å; N143-A145 WeakPolarHBondContact OD1-CB 3.31Å; N143-A145 PolarHBondContact OD1-N 3.13Å; N143-A146 VanDerWaalsContact O-CB 3.27Å; N143-A146 WeakPolarHBondContact O-CB 3.1Å; N143-A146 PolarHBondContact O-N 3.05Å; N143-W169 HydrophobicContact CB-CZ2 3.91Å; N143-T173 PolarHBondContact ND2-OG1 3.29Å; N143-T173 PolarHBondContact OD1-OG1 3.37Å
144	V	95.5	Very high	87.6	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-12.6	-178.5	-62.4	0	0	0	0	113.1	F33 V37 L54 M124 N125 I128 L142 A146 F147	F33-V144 HydrophobicContact CE1-CB 3.96Å; F33-V144 HydrophobicContact CE1-CG2 3.93Å; F33-V144 HydrophobicContact CZ-CB 4.13Å; V37-V144 HydrophobicContact CG1-CG1 3.88Å; V37-V144 HydrophobicContact CG2-CB 4.21Å; V37-V144 HydrophobicContact CG2-CG1 3.79Å; L54-V144 HydrophobicContact CD1-CB 4.26Å; L54-V144 HydrophobicContact CD1-CG1 4.18Å; M124-V144 HydrophobicContact CB-CG2 4.25Å; M124-V144 WeakPolarHBondContact O-CG2 3.44Å; N125-V144 WeakPolarHBondContact OD1-CG2 3.41Å; N125-V144 PolarHBondContact OD1-N 3.06Å; I128-V144 HydrophobicContact CB-CG2 4.36Å; I128-V144 HydrophobicContact CG2-CG1 4.07Å; L142-V144 HydrophobicContact CD2-CG1 3.7Å; L142-V144 HydrophobicContact CG-CG1 3.89Å; L142-V144 PolarHBondContact O-N 3.13Å; L142-V144 VanDerWaalsContact O-N 3.14Å; V144-A146 PolarHBondContact O-N 3.35Å; V144-A146 VanDerWaalsContact O-N 3.13Å; V144-F147 WeakPolarHBondContact O-CB 3.29Å; V144-F147 PolarHBondContact O-N 2.96Å
145	A	96.4	Very high	89.1	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-6.5	166.2	0	0	0	0	0	113	P122 M124 N125 N143 F147 N148 A149 T173 Y175	P122-A145 HydrophobicContact CB-CB 4.16Å; M124-A145 HydrophobicContact CB-CB 4.39Å; N125-A145 PolarHBondContact OD1-N 2.98Å; N143-A145 PolarHBondContact O-N 2.84Å; N143-A145 VanDerWaalsContact OD1-CB 3.24Å; N143-A145 WeakPolarHBondContact OD1-CB 3.31Å; N143-A145 PolarHBondContact OD1-N 3.13Å; A145-F147 PolarHBondContact O-N 2.99Å; A145-F147 VanDerWaalsContact O-N 3.13Å; A145-N148 WeakPolarHBondContact O-CA 3.44Å; A145-N148 WeakPolarHBondContact O-CB 3.34Å; A145-N148 PolarHBondContact O-N 3.19Å; A145-A149 PolarHBondContact O-N 2.93Å; A145-A149 VanDerWaalsContact O-N 3.08Å; A145-T173 HydrophobicContact CB-CG2 3.87Å; A145-Y175 HydrophobicContact CB-CE1 4.04Å; A145-Y175 WeakPolarHBondContact O-CE1 3.13Å
146	A	97.2	Very high	90.7	Very high	3 Å²	3	33.8 Å²	33.8	3%	0.025	18%	0.18	C	C	.	.	H	α-helix	trans	-52.3	-28	162.5	0	0	0	0	0	112.8	Q51 L54 S55 N143 V144 A149 G150 A167	Q51-A146 HydrophobicContact CB-CB 3.58Å; Q51-A146 HydrophobicContact CG-CB 3.93Å; Q51-A146 WeakPolarHBondContact O-CB 3.21Å; L54-A146 HydrophobicContact CB-CB 4.45Å; S55-A146 VanDerWaalsContact CA-O 3.28Å; S55-A146 WeakPolarHBondContact CA-O 3.38Å; S55-A146 WeakPolarHBondContact CB-O 3.37Å; N143-A146 VanDerWaalsContact O-CB 3.27Å; N143-A146 WeakPolarHBondContact O-CB 3.1Å; N143-A146 PolarHBondContact O-N 3.05Å; V144-A146 PolarHBondContact O-N 3.35Å; V144-A146 VanDerWaalsContact O-N 3.13Å; A146-A149 WeakPolarHBondContact O-CB 3.49Å; A146-A149 PolarHBondContact O-N 3.46Å; A146-G150 PolarHBondContact O-N 3.38Å; A146-A167 HydrophobicContact CB-CB 4.17Å
147	F	97.8	Very high	92.2	Very high	17 Å²	17	28.8 Å²	28.8	8%	0.075	16%	0.157	C	C	.	.	H	α-helix	trans	-56.4	-47.4	167.9	179	-95.9	0	0	0	112.4	F33 L36 L54 F57 G58 I61 M124 V144 A145 A149 G150 I151	F33-F147 HydrophobicContact CE2-CB 3.98Å; F33-F147 HydrophobicContact CE2-CD1 4.14Å; F33-F147 AromaticContact CE2-CD2 3.92Å; F33-F147 HydrophobicContact CE2-CD2 3.92Å; F33-F147 HydrophobicContact CE2-CE2 4.38Å; F33-F147 AromaticContact CE2-CG 3.76Å; F33-F147 HydrophobicContact CE2-CG 3.76Å; F33-F147 HydrophobicContact CZ-CB 4.01Å; F33-F147 HydrophobicContact CZ-CG 4.27Å; L36-F147 HydrophobicContact CD2-CD2 4.13Å; L36-F147 HydrophobicContact CD2-CE2 3.85Å; L54-F147 HydrophobicContact CB-CB 4.3Å; L54-F147 WeakPolarHBondContact O-CA 3.24Å; L54-F147 WeakPolarHBondContact O-CD2 3.3Å; F57-F147 HydrophobicContact CB-CD2 4.01Å; F57-F147 HydrophobicContact CB-CE2 3.82Å; G58-F147 WeakPolarHBondContact CA-O 3.42Å; I61-F147 HydrophobicContact CD1-CE1 4.05Å; I61-F147 HydrophobicContact CD1-CE2 4.3Å; I61-F147 HydrophobicContact CD1-CZ 3.41Å; I61-F147 VanDerWaalsContact CD1-CZ 3.41Å; M124-F147 HydrophobicContact CE-CB 4.4Å; M124-F147 HydrophobicContact CE-CD1 3.56Å; M124-F147 HydrophobicContact CE-CE1 4.02Å; M124-F147 HydrophobicContact CE-CG 4.15Å; M124-F147 HydrophobicContact SD-CD1 4.44Å; V144-F147 WeakPolarHBondContact O-CB 3.29Å; V144-F147 PolarHBondContact O-N 2.96Å; A145-F147 PolarHBondContact O-N 2.99Å; A145-F147 VanDerWaalsContact O-N 3.13Å; F147-A149 VanDerWaalsContact C-N 3.33Å; F147-A149 PolarHBondContact O-N 3.39Å; F147-G150 PolarHBondContact O-N 3.46Å; F147-I151 HydrophobicContact CD1-CD1 4.14Å; F147-I151 HydrophobicContact CE1-CD1 3.83Å; F147-I151 PolarHBondContact O-N 3.08Å
148	N	97.9	Very high	93.6	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-67.3	-34.7	176.5	-71.2	-6.1	0	0	0	111.8	W94 F98 M124 A145 G150 I151 V152 Y175	W94-N148 HydrophobicContact CH2-CB 4.25Å; F98-N148 WeakPolarHBondContact CZ-ND2 3.29Å; F98-N148 WeakPolarHBondContact CZ-OD1 3.45Å; M124-N148 VanDerWaalsContact CG-ND2 3.34Å; M124-N148 WeakPolarHBondContact CG-ND2 3.35Å; M124-N148 WeakPolarHBondContact CG-OD1 3.4Å; A145-N148 WeakPolarHBondContact O-CA 3.44Å; A145-N148 WeakPolarHBondContact O-CB 3.34Å; A145-N148 PolarHBondContact O-N 3.19Å; N148-G150 PolarHBondContact O-N 3.13Å; N148-I151 WeakPolarHBondContact O-CB 3.43Å; N148-I151 PolarHBondContact O-N 3.28Å; N148-V152 WeakPolarHBondContact O-CG2 3.49Å; N148-V152 PolarHBondContact O-N 3.22Å; N148-Y175 HydrophobicContact CB-CD1 4.49Å; N148-Y175 HydrophobicContact CB-CE1 3.55Å; N148-Y175 PolarHBondContact ND2-OH 3.11Å
149	A	98.5	Very high	94.7	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-55.2	-41.6	174	0	0	0	0	0	111.3	A145 A146 F147 I151 V152 E153 V165 A167 Y175	A145-A149 PolarHBondContact O-N 2.93Å; A145-A149 VanDerWaalsContact O-N 3.08Å; A146-A149 WeakPolarHBondContact O-CB 3.49Å; A146-A149 PolarHBondContact O-N 3.46Å; F147-A149 VanDerWaalsContact C-N 3.33Å; F147-A149 PolarHBondContact O-N 3.39Å; A149-I151 PolarHBondContact O-N 3.4Å; A149-V152 PolarHBondContact O-N 3.5Å; A149-E153 WeakPolarHBondContact O-CB 3.43Å; A149-E153 PolarHBondContact O-N 3.37Å; A149-V165 HydrophobicContact CB-CB 4.34Å; A149-V165 HydrophobicContact CB-CG1 3.9Å; A149-V165 WeakPolarHBondContact O-CB 3.48Å; A149-A167 HydrophobicContact CB-CB 4.36Å; A149-Y175 HydrophobicContact CB-CD1 4.15Å
150	G	98.7	Very high	95.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.3	-40.5	173.8	0	0	0	0	0	114.4	S55 K59 A146 F147 N148 V152 E153 A154	S55-G150 VanDerWaalsContact O-CA 3.31Å; S55-G150 WeakPolarHBondContact O-CA 3.45Å; S55-G150 WeakPolarHBondContact OG-CA 3.25Å; S55-G150 PolarHBondContact OG-N 2.86Å; K59-G150 WeakPolarHBondContact CA-O 3.1Å; K59-G150 VanDerWaalsContact CG-O 3.31Å; K59-G150 WeakPolarHBondContact CG-O 3.31Å; A146-G150 PolarHBondContact O-N 3.38Å; F147-G150 PolarHBondContact O-N 3.46Å; N148-G150 PolarHBondContact O-N 3.13Å; G150-V152 VanDerWaalsContact C-N 3.32Å; G150-V152 PolarHBondContact O-N 2.93Å; G150-E153 PolarHBondContact O-N 2.87Å; G150-A154 WeakPolarHBondContact O-CB 3.46Å; G150-A154 PolarHBondContact O-N 3.43Å
151	I	98.7	Very high	96.6	Very high	3 Å²	3	12.3 Å²	12.3	2%	0.015	9%	0.091	C	C	.	.	H	α-helix	trans	-59	-47.6	173.9	-59.6	175.6	0	0	0	109.9	G58 I61 G62 L97 F147 N148 A149 F155	G58-I151 WeakPolarHBondContact O-CA 3.21Å; G58-I151 VanDerWaalsContact O-CG1 3.29Å; G58-I151 WeakPolarHBondContact O-CG1 3.43Å; I61-I151 HydrophobicContact CB-CG1 4.26Å; I61-I151 HydrophobicContact CG2-CD1 4.33Å; I61-I151 HydrophobicContact CG2-CG1 4.46Å; G62-I151 WeakPolarHBondContact CA-O 3.48Å; L97-I151 HydrophobicContact CD1-CD1 4.48Å; L97-I151 HydrophobicContact CD1-CG2 3.91Å; L97-I151 HydrophobicContact CD2-CD1 4.48Å; F147-I151 HydrophobicContact CD1-CD1 4.14Å; F147-I151 HydrophobicContact CE1-CD1 3.83Å; F147-I151 PolarHBondContact O-N 3.08Å; N148-I151 WeakPolarHBondContact O-CB 3.43Å; N148-I151 PolarHBondContact O-N 3.28Å; A149-I151 PolarHBondContact O-N 3.4Å; I151-F155 VanDerWaalsContact O-CB 3.22Å; I151-F155 WeakPolarHBondContact O-CB 3.43Å; I151-F155 PolarHBondContact O-N 3.04Å
152	V	98.6	Very high	97	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.7	-47.1	-179.3	179.2	0	0	0	0	111.2	L89 W94 M117 N148 A149 G150 F155 L156 V165 I177	L89-V152 HydrophobicContact CD1-CG1 4.17Å; L89-V152 HydrophobicContact CD1-CG2 4.23Å; L89-V152 HydrophobicContact CD2-CG1 3.59Å; L89-V152 HydrophobicContact CG-CG1 4.49Å; W94-V152 HydrophobicContact CH2-CG2 3.89Å; W94-V152 HydrophobicContact CZ3-CG2 3.64Å; M117-V152 HydrophobicContact CE-CG1 4.49Å; M117-V152 HydrophobicContact CE-CG2 3.64Å; N148-V152 WeakPolarHBondContact O-CG2 3.49Å; N148-V152 PolarHBondContact O-N 3.22Å; A149-V152 PolarHBondContact O-N 3.5Å; G150-V152 VanDerWaalsContact C-N 3.32Å; G150-V152 PolarHBondContact O-N 2.93Å; V152-F155 PolarHBondContact O-N 3.41Å; V152-L156 HydrophobicContact CG1-CD1 3.82Å; V152-L156 HydrophobicContact CG1-CG 4.39Å; V152-L156 WeakPolarHBondContact O-CB 3.28Å; V152-L156 WeakPolarHBondContact O-CG 3.27Å; V152-L156 PolarHBondContact O-N 2.83Å; V152-V165 HydrophobicContact CB-CG1 4.22Å; V152-V165 HydrophobicContact CB-CG2 4.35Å; V152-V165 HydrophobicContact CG1-CG1 4.21Å; V152-V165 HydrophobicContact CG1-CG2 4.01Å; V152-I177 HydrophobicContact CG1-CD1 4.02Å; V152-I177 HydrophobicContact CG1-CG1 4.13Å
153	E	98.8	Very high	97.3	Very high	31 Å²	31	11.8 Å²	11.8	15%	0.145	9%	0.088	C	C	.	.	H	α-helix	trans	-59.5	-50.5	-179.3	-172.1	176.3	116.8	0	0	111.6	K59 A149 G150 S157 C163 T164 V165	K59-E153 WeakPolarHBondContact CE-OE1 3.37Å; K59-E153 IonicContact NZ-OE1 3.76Å; K59-E153 PolarHBondContact NZ-OE1 2.91Å; A149-E153 WeakPolarHBondContact O-CB 3.43Å; A149-E153 PolarHBondContact O-N 3.37Å; G150-E153 PolarHBondContact O-N 2.87Å; E153-S157 WeakPolarHBondContact O-CB 3.41Å; E153-S157 PolarHBondContact O-N 2.9Å; E153-S157 PolarHBondContact O-OG 3.47Å; E153-C163 WeakPolarHBondContact CG-O 3.07Å; E153-T164 WeakPolarHBondContact OE2-CA 3.29Å; E153-V165 HydrophobicContact CB-CB 3.92Å; E153-V165 HydrophobicContact CB-CG2 3.67Å; E153-V165 HydrophobicContact CG-CG2 4.21Å; E153-V165 PolarHBondContact OE2-N 3.25Å
154	A	98.7	Very high	97.5	Very high	11 Å²	11	15.5 Å²	15.5	9%	0.091	11%	0.11	C	C	.	.	H	α-helix	trans	-66.1	-39.2	179.5	0	0	0	0	0	112.1	K59 E63 G150 G158	K59-A154 HydrophobicContact CB-CB 3.9Å; K59-A154 HydrophobicContact CG-CB 4.05Å; K59-A154 VanDerWaalsContact O-CB 3.29Å; K59-A154 WeakPolarHBondContact O-CB 3.39Å; E63-A154 HydrophobicContact CG-CB 4.03Å; G150-A154 WeakPolarHBondContact O-CB 3.46Å; G150-A154 PolarHBondContact O-N 3.43Å; A154-G158 PolarHBondContact O-N 2.94Å
155	F	97.9	Very high	97.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60	-57.1	176.4	176.3	-95.3	0	0	0	110.9	I65 I66 Y70 F88 L89 L93 I151 V152 S157 G158 I159	I65-F155 HydrophobicContact CG2-CD2 4.43Å; I66-F155 HydrophobicContact CG1-CD2 3.6Å; I66-F155 HydrophobicContact CG1-CE2 4.04Å; I66-F155 HydrophobicContact CG1-CG 4.47Å; Y70-F155 HydrophobicContact CE2-CE2 4.3Å; Y70-F155 HydrophobicContact CE2-CZ 4.2Å; F88-F155 HydrophobicContact CD1-CE1 4.4Å; F88-F155 AromaticContact CD1-CZ 3.78Å; F88-F155 HydrophobicContact CD1-CZ 3.78Å; F88-F155 HydrophobicContact CE1-CE2 4.47Å; F88-F155 AromaticContact CE1-CZ 3.86Å; F88-F155 HydrophobicContact CE1-CZ 3.86Å; L89-F155 HydrophobicContact CB-CE1 4.49Å; L89-F155 HydrophobicContact CD1-CD1 4.13Å; L93-F155 HydrophobicContact CD1-CD2 4.1Å; L93-F155 HydrophobicContact CD1-CE2 4.23Å; L93-F155 HydrophobicContact CD2-CB 3.98Å; L93-F155 HydrophobicContact CD2-CD1 3.88Å; L93-F155 HydrophobicContact CD2-CD2 3.82Å; L93-F155 HydrophobicContact CD2-CE1 4.35Å; L93-F155 HydrophobicContact CD2-CE2 4.3Å; L93-F155 HydrophobicContact CD2-CG 3.6Å; I151-F155 VanDerWaalsContact O-CB 3.22Å; I151-F155 WeakPolarHBondContact O-CB 3.43Å; I151-F155 PolarHBondContact O-N 3.04Å; V152-F155 PolarHBondContact O-N 3.41Å; F155-S157 PolarHBondContact O-N 3.3Å; F155-G158 PolarHBondContact O-N 3.28Å; F155-I159 HydrophobicContact CD1-CD1 4.43Å; F155-I159 HydrophobicContact CE1-CD1 3.8Å; F155-I159 HydrophobicContact CE1-CG1 4.34Å; F155-I159 HydrophobicContact CE2-CG2 4.38Å; F155-I159 HydrophobicContact CZ-CD1 4.22Å; F155-I159 HydrophobicContact CZ-CG2 4.34Å; F155-I159 VanDerWaalsContact O-CG1 3.31Å; F155-I159 WeakPolarHBondContact O-CG1 3.41Å; F155-I159 PolarHBondContact O-N 2.86Å
156	L	97.9	Very high	97.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62	-45.1	-177.2	-73.1	174.1	0	0	0	111.9	L89 V152 G158 I159 G160 Y161 C163 I177 F179	L89-L156 HydrophobicContact CD2-CD1 4.04Å; L89-L156 HydrophobicContact CD2-CD2 4.3Å; L89-L156 HydrophobicContact CD2-CG 4.28Å; V152-L156 HydrophobicContact CG1-CD1 3.82Å; V152-L156 HydrophobicContact CG1-CG 4.39Å; V152-L156 WeakPolarHBondContact O-CB 3.28Å; V152-L156 WeakPolarHBondContact O-CG 3.27Å; V152-L156 PolarHBondContact O-N 2.83Å; L156-G158 PolarHBondContact O-N 3.38Å; L156-I159 HydrophobicContact CD2-CD1 4.42Å; L156-I159 VanDerWaalsContact O-CG1 3.32Å; L156-I159 WeakPolarHBondContact O-CG1 3.15Å; L156-I159 PolarHBondContact O-N 2.87Å; L156-G160 PolarHBondContact O-N 3.35Å; L156-Y161 CarbonylContact C-O 3.03Å; L156-Y161 VanDerWaalsContact C-O 3.27Å; L156-Y161 CarbonylContact O-C 3.47Å; L156-Y161 WeakPolarHBondContact O-CA 3.37Å; L156-Y161 PolarHBondContact O-N 3.45Å; L156-C163 VanDerWaalsContact CB-SG 3.58Å; L156-I177 HydrophobicContact CD1-CD1 4.14Å; L156-I177 HydrophobicContact CD1-CG1 4.45Å; L156-I177 HydrophobicContact CD1-CG2 3.61Å; L156-F179 HydrophobicContact CD1-CE1 4.03Å; L156-F179 HydrophobicContact CD1-CZ 3.89Å
157	S	97.8	Very high	97.8	Very high	48 Å²	48	20 Å²	20	34%	0.336	14%	0.139	S	C	.	.	H	α-helix	trans	-61.6	-44.5	176.6	-61.2	0	0	0	0	111.3	E153 F155 I159 G160 Y161	E153-S157 WeakPolarHBondContact O-CB 3.41Å; E153-S157 PolarHBondContact O-N 2.9Å; E153-S157 PolarHBondContact O-OG 3.47Å; F155-S157 PolarHBondContact O-N 3.3Å; S157-I159 VanDerWaalsContact C-N 3.3Å; S157-I159 PolarHBondContact O-N 3.18Å; S157-G160 PolarHBondContact O-N 3.44Å; S157-Y161 PolarHBondContact N-O 2.81Å
158	G	96.1	Very high	97.6	Very high	50 Å²	50	22.2 Å²	22.2	52%	0.515	15%	0.154	S	C	.	.	H	α-helix	trans	-65.1	-28.8	179.4	0	0	0	0	0	114.1	A154 F155 L156 G160	A154-G158 PolarHBondContact O-N 2.94Å; F155-G158 PolarHBondContact O-N 3.28Å; L156-G158 PolarHBondContact O-N 3.38Å; G158-G160 VanDerWaalsContact C-N 3.32Å
159	I	94.2	Very high	97.4	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.021	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	1.4	175	62.6	153.6	0	0	0	113.7	I66 Y70 R78 A85 F155 L156 S157 Y161	I66-I159 HydrophobicContact CD1-CG2 4.24Å; I66-I159 HydrophobicContact CG1-CG2 4.19Å; I66-I159 HydrophobicContact CG2-CG2 3.76Å; Y70-I159 HydrophobicContact CE2-CG2 3.85Å; R78-I159 PolarHBondContact NH1-O 3.4Å; R78-I159 VanDerWaalsContact NH1-O 3.09Å; A85-I159 HydrophobicContact CB-CD1 3.94Å; F155-I159 HydrophobicContact CD1-CD1 4.43Å; F155-I159 HydrophobicContact CE1-CD1 3.8Å; F155-I159 HydrophobicContact CE1-CG1 4.34Å; F155-I159 HydrophobicContact CE2-CG2 4.38Å; F155-I159 HydrophobicContact CZ-CD1 4.22Å; F155-I159 HydrophobicContact CZ-CG2 4.34Å; F155-I159 VanDerWaalsContact O-CG1 3.31Å; F155-I159 WeakPolarHBondContact O-CG1 3.41Å; F155-I159 PolarHBondContact O-N 2.86Å; L156-I159 HydrophobicContact CD2-CD1 4.42Å; L156-I159 VanDerWaalsContact O-CG1 3.32Å; L156-I159 WeakPolarHBondContact O-CG1 3.15Å; L156-I159 PolarHBondContact O-N 2.87Å; S157-I159 VanDerWaalsContact C-N 3.3Å; S157-I159 PolarHBondContact O-N 3.18Å; I159-Y161 HydrophobicContact CD1-CD2 3.85Å; I159-Y161 HydrophobicContact CD1-CE2 3.94Å; I159-Y161 HydrophobicContact CG1-CD2 3.88Å; I159-Y161 HydrophobicContact CG1-CE2 4.32Å
160	G	95.3	Very high	97.2	Very high	27 Å²	27	32.3 Å²	32.3	28%	0.278	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.4	25.4	172.8	0	0	0	0	0	114.9	L156 S157 G158 R186	L156-G160 PolarHBondContact O-N 3.35Å; S157-G160 PolarHBondContact O-N 3.44Å; G158-G160 VanDerWaalsContact C-N 3.32Å; G160-R186 PolarHBondContact O-NH1 2.96Å; G160-R186 PolarHBondContact O-NH2 3.48Å
161	Y	97.3	Very high	97	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.012	21%	0.211	C	C	.	.			trans	-122.7	78.4	172.7	-58.8	-97.3	0	0	0	108.7	D79 I80 R81 L82 A85 L156 S157 I159 C163 V183	D79-Y161 PolarHBondContact O-OH 3.14Å; I80-Y161 PolarHBondContact O-OH 3.34Å; I80-Y161 VanDerWaalsContact O-OH 3.14Å; R81-Y161 PolarHBondContact N-OH 2.91Å; R81-Y161 PolarHBondContact O-OH 3.48Å; L82-Y161 HydrophobicContact CB-CD1 4.16Å; L82-Y161 HydrophobicContact CB-CE1 3.73Å; L82-Y161 HydrophobicContact CD1-CD1 3.55Å; L82-Y161 HydrophobicContact CD1-CE1 3.93Å; L82-Y161 HydrophobicContact CD1-CG 4.31Å; L82-Y161 HydrophobicContact CG-CD1 4.43Å; L82-Y161 HydrophobicContact CG-CE1 4.45Å; A85-Y161 HydrophobicContact CB-CD2 4.19Å; A85-Y161 HydrophobicContact CB-CE1 4.49Å; A85-Y161 HydrophobicContact CB-CE2 3.65Å; L156-Y161 CarbonylContact C-O 3.03Å; L156-Y161 VanDerWaalsContact C-O 3.27Å; L156-Y161 CarbonylContact O-C 3.47Å; L156-Y161 WeakPolarHBondContact O-CA 3.37Å; L156-Y161 PolarHBondContact O-N 3.45Å; S157-Y161 PolarHBondContact N-O 2.81Å; I159-Y161 HydrophobicContact CD1-CD2 3.85Å; I159-Y161 HydrophobicContact CD1-CE2 3.94Å; I159-Y161 HydrophobicContact CG1-CD2 3.88Å; I159-Y161 HydrophobicContact CG1-CE2 4.32Å; Y161-C163 PolarHBondContact O-N 3.08Å; Y161-C163 PolarHBondContact O-SG 3.23Å; Y161-V183 HydrophobicContact CD1-CG1 3.77Å
162	P	98.1	Very high	96.7	Very high	36 Å²	36	37.8 Å²	37.8	23%	0.234	23%	0.225	C	C	.	.			trans	-58.7	130.9	-179	26.6	-36.5	0	0	0	110.8	E180 V183	P162-E180 HydrophobicContact CB-CG 4.04Å; P162-E180 HydrophobicContact CG-CB 4.22Å; P162-E180 HydrophobicContact CG-CG 4.22Å; P162-E180 WeakPolarHBondContact CG-OE2 3.28Å; P162-E180 PolarHBondContact O-N 3.04Å; P162-V183 HydrophobicContact CG-CG2 3.98Å
163	C	98.6	Very high	96.6	Very high	10 Å²	10	37.8 Å²	37.8	7%	0.068	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	167.8	-176.2	57.9	0	0	0	0	111.2	E153 L156 Y161 I177 K178 F179	E153-C163 WeakPolarHBondContact CG-O 3.07Å; L156-C163 VanDerWaalsContact CB-SG 3.58Å; Y161-C163 PolarHBondContact O-N 3.08Å; Y161-C163 PolarHBondContact O-SG 3.23Å; C163-I177 HydrophobicContact CB-CG2 4.16Å; C163-K178 CarbonylContact C-O 3.54Å; C163-K178 WeakPolarHBondContact CA-O 3.39Å; C163-K178 WeakPolarHBondContact CB-O 3.48Å; C163-F179 HydrophobicContact CB-CD1 3.6Å; C163-F179 HydrophobicContact CB-CE1 3.9Å; C163-F179 HydrophobicContact CB-CG 4.25Å
164	T	98.5	Very high	96.5	Very high	79 Å²	79	36.3 Å²	36.3	49%	0.485	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	140.6	163	57.4	0	0	0	0	109.3	E153 K178	E153-T164 WeakPolarHBondContact OE2-CA 3.29Å; T164-K178 PolarHBondContact N-O 2.89Å; T164-K178 PolarHBondContact O-N 3.41Å
165	V	98.7	Very high	96.5	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.03	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	126.5	179.1	-168.1	0	0	0	0	111.1	A149 V152 E153 V176 I177	A149-V165 HydrophobicContact CB-CB 4.34Å; A149-V165 HydrophobicContact CB-CG1 3.9Å; A149-V165 WeakPolarHBondContact O-CB 3.48Å; V152-V165 HydrophobicContact CB-CG1 4.22Å; V152-V165 HydrophobicContact CB-CG2 4.35Å; V152-V165 HydrophobicContact CG1-CG1 4.21Å; V152-V165 HydrophobicContact CG1-CG2 4.01Å; E153-V165 HydrophobicContact CB-CB 3.92Å; E153-V165 HydrophobicContact CB-CG2 3.67Å; E153-V165 HydrophobicContact CG-CG2 4.21Å; E153-V165 PolarHBondContact OE2-N 3.25Å; V165-V176 VanDerWaalsContact CA-O 3.28Å; V165-V176 WeakPolarHBondContact CA-O 3.47Å; V165-I177 HydrophobicContact CG1-CG1 4.01Å; V165-I177 HydrophobicContact CG2-CB 4.37Å; V165-I177 HydrophobicContact CG2-CG1 4.07Å; V165-I177 HydrophobicContact CG2-CG2 4.19Å
166	T	98	Very high	96.5	Very high	86 Å²	86	36.9 Å²	36.9	53%	0.528	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	147.5	176.3	55.8	0	0	0	0	110.8	Y175 V176	T166-Y175 WeakPolarHBondContact O-CA 3.31Å; T166-V176 PolarHBondContact N-O 2.95Å; T166-V176 VanDerWaalsContact N-O 3.13Å; T166-V176 PolarHBondContact O-N 3.3Å
167	A	96.9	Very high	96.6	Very high	9 Å²	9	36.9 Å²	36.9	7%	0.074	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	133.2	171.9	0	0	0	0	0	110.3	A146 A149 T173 A174	A146-A167 HydrophobicContact CB-CB 4.17Å; A149-A167 HydrophobicContact CB-CB 4.36Å; A167-T173 HydrophobicContact CB-CG2 4.28Å; A167-A174 WeakPolarHBondContact CA-O 3.42Å
168	T	94.9	Very high	96.6	Very high	63 Å²	63	39.3 Å²	39.3	39%	0.387	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	159.2	175.6	-169.1	0	0	0	0	111.3	Y170 T173 A174 V176	T168-Y170 PolarHBondContact O-N 3.19Å; T168-T173 WeakPolarHBondContact O-CA 3.47Å; T168-A174 HydrophobicContact CG2-CB 4.08Å; T168-A174 PolarHBondContact N-O 3.49Å; T168-A174 PolarHBondContact O-N 3.22Å; T168-V176 HydrophobicContact CG2-CG2 3.59Å
169	W	93.8	Very high	96.7	Very high	117 Å²	117	37.2 Å²	37.2	44%	0.443	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	94.4	174.5	-65.1	112	0	0	0	110.1	N125 P141 N143 G172	N125-W169 HydrophobicContact CB-CH2 4.45Å; N125-W169 WeakPolarHBondContact ND2-CH2 3.44Å; P141-W169 HydrophobicContact CB-CZ2 4.14Å; P141-W169 HydrophobicContact CG-CZ2 3.87Å; P141-W169 PolarHBondContact O-NE1 2.95Å; N143-W169 HydrophobicContact CB-CZ2 3.91Å; W169-G172 WeakPolarHBondContact CA-O 3.45Å
170	Y	94.3	Very high	96.9	Very high	96 Å²	96	42.2 Å²	42.2	38%	0.376	23%	0.225	S	C	.	.	S	Bend	trans	-145.6	118.8	175.7	173.8	-110.6	0	0	0	108.2	E106 I118 T168 G172 A174	E106-Y170 PolarHBondContact OE2-OH 3.46Å; I118-Y170 HydrophobicContact CD1-CD1 4.23Å; I118-Y170 HydrophobicContact CD1-CE1 3.93Å; I118-Y170 HydrophobicContact CG1-CD1 4.34Å; T168-Y170 PolarHBondContact O-N 3.19Å; Y170-G172 VanDerWaalsContact C-N 3.3Å; Y170-G172 PolarHBondContact N-O 2.84Å; Y170-G172 VanDerWaalsContact N-O 3.11Å; Y170-G172 CarbonylContact O-C 3.54Å; Y170-G172 PolarHBondContact O-N 3.33Å; Y170-A174 HydrophobicContact CD1-CB 3.84Å; Y170-A174 HydrophobicContact CG-CB 4.35Å
171	K	93.7	Very high	97	Very high	89 Å²	89	45.3 Å²	45.3	39%	0.387	23%	0.232	S	C	.	.	S	Bend	trans	47.8	48.6	-173.9	-62.5	171.9	167.3	-171.2	0	112.7	E104 E106 I118 H120	E104-K171 IonicContact OE2-NZ 2.68Å; E104-K171 PolarHBondContact OE2-NZ 3.35Å; E106-K171 IonicContact OE1-NZ 3.14Å; E106-K171 PolarHBondContact OE1-NZ 2.86Å; E106-K171 IonicContact OE2-NZ 3.55Å; I118-K171 HydrophobicContact CD1-CD 3.85Å; I118-K171 HydrophobicContact CG2-CB 3.88Å; I118-K171 WeakPolarHBondContact CG2-O 3.3Å; H120-K171 PolarHBondContact CD2-O 3.18Å
172	G	93.3	Very high	97	Very high	30 Å²	30	47.9 Å²	47.9	31%	0.309	25%	0.25	S	S	.	.	S	Bend	trans	94.1	-121.2	-162.7	0	0	0	0	0	108.8	W169 Y170	W169-G172 WeakPolarHBondContact CA-O 3.45Å; Y170-G172 VanDerWaalsContact C-N 3.3Å; Y170-G172 PolarHBondContact N-O 2.84Å; Y170-G172 VanDerWaalsContact N-O 3.11Å; Y170-G172 CarbonylContact O-C 3.54Å; Y170-G172 PolarHBondContact O-N 3.33Å
173	T	95.5	Very high	97	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.3	172.1	-69.7	0	0	0	0	110.7	I118 E119 P122 N125 N143 A145 A167 T168 Y175	I118-T173 WeakPolarHBondContact CA-O 3.41Å; E119-T173 PolarHBondContact N-O 3.47Å; E119-T173 PolarHBondContact O-N 2.99Å; P122-T173 VanDerWaalsContact CG-CB 3.49Å; P122-T173 HydrophobicContact CG-CG2 4.33Å; P122-T173 WeakPolarHBondContact CG-OG1 3.49Å; N125-T173 PolarHBondContact ND2-OG1 3.26Å; N143-T173 PolarHBondContact ND2-OG1 3.29Å; N143-T173 PolarHBondContact OD1-OG1 3.37Å; A145-T173 HydrophobicContact CB-CG2 3.87Å; A167-T173 HydrophobicContact CB-CG2 4.28Å; T168-T173 WeakPolarHBondContact O-CA 3.47Å; T173-Y175 HydrophobicContact CG2-CD1 4.45Å; T173-Y175 HydrophobicContact CG2-CE1 4.06Å
174	A	97.8	Very high	96.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.7	166.6	0	0	0	0	0	110.9	Y116 M117 I118 A167 T168 Y170	Y116-A174 HydrophobicContact CD1-CB 4.28Å; M117-A174 WeakPolarHBondContact O-CA 3.49Å; I118-A174 HydrophobicContact CG1-CB 4.08Å; A167-A174 WeakPolarHBondContact CA-O 3.42Å; T168-A174 HydrophobicContact CG2-CB 4.08Å; T168-A174 PolarHBondContact N-O 3.49Å; T168-A174 PolarHBondContact O-N 3.22Å; Y170-A174 HydrophobicContact CD1-CB 3.84Å; Y170-A174 HydrophobicContact CG-CB 4.35Å
175	Y	98.4	Very high	96.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	104	163.2	-48.9	-71.5	0	0	0	107.4	W94 M117 E119 A145 N148 A149 T166 T173 I177	W94-Y175 HydrophobicContact CH2-CD2 4.08Å; W94-Y175 AromaticContact CH2-CE2 3.56Å; W94-Y175 HydrophobicContact CH2-CE2 3.56Å; W94-Y175 AromaticContact CH2-CZ 3.86Å; W94-Y175 HydrophobicContact CZ2-CD2 4.26Å; W94-Y175 AromaticContact CZ2-CE2 3.38Å; W94-Y175 HydrophobicContact CZ2-CE2 3.38Å; W94-Y175 AromaticContact CZ2-CZ 3.73Å; M117-Y175 HydrophobicContact CB-CD2 4.21Å; M117-Y175 HydrophobicContact CE-CD2 3.47Å; M117-Y175 VanDerWaalsContact CE-CD2 3.47Å; M117-Y175 HydrophobicContact CE-CE2 4.06Å; M117-Y175 HydrophobicContact CE-CG 4.14Å; M117-Y175 HydrophobicContact CG-CD2 4.26Å; M117-Y175 PolarHBondContact N-O 3.23Å; M117-Y175 VanDerWaalsContact O-CD2 3.25Å; M117-Y175 WeakPolarHBondContact O-CD2 3.39Å; M117-Y175 PolarHBondContact O-N 3.17Å; E119-Y175 HydrophobicContact CB-CE2 4.48Å; E119-Y175 HydrophobicContact CG-CE2 4.1Å; E119-Y175 PolarHBondContact OE2-OH 2.93Å; E119-Y175 VanDerWaalsContact OE2-OH 3.05Å; A145-Y175 HydrophobicContact CB-CE1 4.04Å; A145-Y175 WeakPolarHBondContact O-CE1 3.13Å; N148-Y175 HydrophobicContact CB-CD1 4.49Å; N148-Y175 HydrophobicContact CB-CE1 3.55Å; N148-Y175 PolarHBondContact ND2-OH 3.11Å; A149-Y175 HydrophobicContact CB-CD1 4.15Å; T166-Y175 WeakPolarHBondContact O-CA 3.31Å; T173-Y175 HydrophobicContact CG2-CD1 4.45Å; T173-Y175 HydrophobicContact CG2-CE1 4.06Å; Y175-I177 PolarHBondContact O-N 3.25Å
176	V	98.5	Very high	96.4	Very high	23 Å²	23	49.9 Å²	49.9	14%	0.139	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	105.4	178.1	-171.1	0	0	0	0	107.7	I114 Y116 V165 T166 T168	I114-V176 HydrophobicContact CG2-CG1 3.75Å; Y116-V176 HydrophobicContact CD1-CB 4.42Å; Y116-V176 HydrophobicContact CD1-CG1 4.32Å; Y116-V176 HydrophobicContact CD1-CG2 3.93Å; Y116-V176 HydrophobicContact CE1-CB 4.3Å; Y116-V176 HydrophobicContact CE1-CG1 3.84Å; Y116-V176 HydrophobicContact CE1-CG2 3.79Å; V165-V176 VanDerWaalsContact CA-O 3.28Å; V165-V176 WeakPolarHBondContact CA-O 3.47Å; T166-V176 PolarHBondContact N-O 2.95Å; T166-V176 VanDerWaalsContact N-O 3.13Å; T166-V176 PolarHBondContact O-N 3.3Å; T168-V176 HydrophobicContact CG2-CG2 3.59Å
177	I	98.7	Very high	96.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	109	-179	-55.3	163.7	0	0	0	107.4	L86 L89 I114 F115 M117 V152 L156 C163 V165 Y175 F179	L86-I177 HydrophobicContact CD2-CD1 4.09Å; L89-I177 HydrophobicContact CD2-CD1 3.94Å; I114-I177 CarbonylContact C-O 3.27Å; I114-I177 WeakPolarHBondContact CA-O 3.39Å; F115-I177 HydrophobicContact CB-CB 4.42Å; F115-I177 PolarHBondContact N-O 3.08Å; F115-I177 PolarHBondContact O-N 3.19Å; M117-I177 HydrophobicContact CB-CD1 4.33Å; V152-I177 HydrophobicContact CG1-CD1 4.02Å; V152-I177 HydrophobicContact CG1-CG1 4.13Å; L156-I177 HydrophobicContact CD1-CD1 4.14Å; L156-I177 HydrophobicContact CD1-CG1 4.45Å; L156-I177 HydrophobicContact CD1-CG2 3.61Å; C163-I177 HydrophobicContact CB-CG2 4.16Å; V165-I177 HydrophobicContact CG1-CG1 4.01Å; V165-I177 HydrophobicContact CG2-CB 4.37Å; V165-I177 HydrophobicContact CG2-CG1 4.07Å; V165-I177 HydrophobicContact CG2-CG2 4.19Å; Y175-I177 PolarHBondContact O-N 3.25Å; I177-F179 HydrophobicContact CB-CE2 4.49Å; I177-F179 HydrophobicContact CG2-CD2 4.16Å; I177-F179 HydrophobicContact CG2-CE1 3.96Å; I177-F179 HydrophobicContact CG2-CE2 3.54Å; I177-F179 HydrophobicContact CG2-CZ 3.42Å; I177-F179 VanDerWaalsContact CG2-CZ 3.42Å
178	K	98.6	Very high	96.1	Very high	98 Å²	98	52.2 Å²	52.2	43%	0.426	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	108.7	175.6	-178.9	170.7	-175.6	166.8	0	109.6	I114 C163 T164	I114-K178 HydrophobicContact CD1-CD 4.3Å; I114-K178 HydrophobicContact CG1-CB 4.14Å; I114-K178 HydrophobicContact CG1-CD 4.3Å; I114-K178 HydrophobicContact CG1-CG 3.99Å; C163-K178 CarbonylContact C-O 3.54Å; C163-K178 WeakPolarHBondContact CA-O 3.39Å; C163-K178 WeakPolarHBondContact CB-O 3.48Å; T164-K178 PolarHBondContact N-O 2.89Å; T164-K178 PolarHBondContact O-N 3.41Å
179	F	98.6	Very high	96	Very high	6 Å²	6	55 Å²	55	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	151.7	177	-68.2	-73.3	0	0	0	111.8	L82 L86 N113 F115 L156 C163 I177 V183	L82-F179 HydrophobicContact CD1-CD1 4.42Å; L82-F179 HydrophobicContact CD1-CD2 4.29Å; L82-F179 HydrophobicContact CD1-CE1 3.83Å; L82-F179 HydrophobicContact CD1-CE2 3.66Å; L82-F179 HydrophobicContact CD1-CZ 3.41Å; L82-F179 VanDerWaalsContact CD1-CZ 3.41Å; L82-F179 HydrophobicContact CD2-CD2 4.28Å; L82-F179 HydrophobicContact CD2-CE2 4.25Å; L82-F179 HydrophobicContact CG-CE2 4.5Å; L86-F179 HydrophobicContact CD1-CE2 4.45Å; L86-F179 HydrophobicContact CD2-CE2 4.14Å; L86-F179 HydrophobicContact CD2-CZ 3.88Å; N113-F179 PolarHBondContact O-N 3.1Å; F115-F179 AromaticContact CD2-CD2 3.7Å; F115-F179 HydrophobicContact CD2-CD2 3.7Å; F115-F179 AromaticContact CD2-CE2 3.54Å; F115-F179 HydrophobicContact CD2-CE2 3.54Å; F115-F179 AromaticContact CE2-CD2 3.95Å; F115-F179 HydrophobicContact CE2-CD2 3.95Å; F115-F179 AromaticContact CE2-CE2 3.98Å; F115-F179 HydrophobicContact CE2-CE2 3.98Å; F115-F179 HydrophobicContact CG-CE2 4.31Å; L156-F179 HydrophobicContact CD1-CE1 4.03Å; L156-F179 HydrophobicContact CD1-CZ 3.89Å; C163-F179 HydrophobicContact CB-CD1 3.6Å; C163-F179 HydrophobicContact CB-CE1 3.9Å; C163-F179 HydrophobicContact CB-CG 4.25Å; I177-F179 HydrophobicContact CB-CE2 4.49Å; I177-F179 HydrophobicContact CG2-CD2 4.16Å; I177-F179 HydrophobicContact CG2-CE1 3.96Å; I177-F179 HydrophobicContact CG2-CE2 3.54Å; I177-F179 HydrophobicContact CG2-CZ 3.42Å; I177-F179 VanDerWaalsContact CG2-CZ 3.42Å; F179-V183 HydrophobicContact CB-CB 4.08Å; F179-V183 HydrophobicContact CB-CG1 4.33Å; F179-V183 HydrophobicContact CB-CG2 4.21Å; F179-V183 HydrophobicContact CD1-CB 4.48Å; F179-V183 HydrophobicContact CD1-CG1 4.18Å; F179-V183 HydrophobicContact CD1-CG2 4.13Å; F179-V183 HydrophobicContact CG-CB 4.49Å; F179-V183 HydrophobicContact CG-CG1 4.27Å
180	E	98.4	Very high	95.9	Very high	110 Å²	110	50.8 Å²	50.8	51%	0.514	24%	0.241	S	C	.	.			trans	-67.8	148.8	164.7	-65.8	-176.6	-177	0	0	110.7	P162 S182 V183	P162-E180 HydrophobicContact CB-CG 4.04Å; P162-E180 HydrophobicContact CG-CB 4.22Å; P162-E180 HydrophobicContact CG-CG 4.22Å; P162-E180 WeakPolarHBondContact CG-OE2 3.28Å; P162-E180 PolarHBondContact O-N 3.04Å; E180-S182 PolarHBondContact O-N 3.28Å; E180-S182 PolarHBondContact OE2-OG 3.03Å; E180-V183 WeakPolarHBondContact O-CB 3.39Å; E180-V183 PolarHBondContact O-N 3.28Å
181	E	96.8	Very high	95.7	Very high	91 Å²	91	50.7 Å²	50.7	43%	0.425	25%	0.247	S	C	.	.	H	α-helix	trans	-55	-29.2	178.3	-172.2	60.9	-151.1	0	0	112.7	N113 V183 N184 I185	N113-E181 PolarHBondContact ND2-OE2 3.5Å; E181-V183 PolarHBondContact O-N 3.32Å; E181-N184 PolarHBondContact O-N 3.39Å; E181-I185 HydrophobicContact CG-CD1 4.02Å; E181-I185 HydrophobicContact CG-CG1 4.35Å; E181-I185 WeakPolarHBondContact O-CG1 3.28Å; E181-I185 PolarHBondContact O-N 3.41Å
182	S	97	Very high	95.3	Very high	57 Å²	57	53.3 Å²	53.3	40%	0.399	27%	0.265	S	S	.	.	H	α-helix	trans	-55.9	-32.2	175.6	64.2	0	0	0	0	113	E180 R186	E180-S182 PolarHBondContact O-N 3.28Å; E180-S182 PolarHBondContact OE2-OG 3.03Å; S182-R186 PolarHBondContact O-N 3.03Å; S182-R186 VanDerWaalsContact O-N 3.11Å
183	V	97.3	Very high	94.4	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-69	-48	178.2	177.5	0	0	0	0	110.8	L82 Y161 P162 F179 E180 E181 R186 E187	L82-V183 HydrophobicContact CD1-CG1 4.37Å; L82-V183 HydrophobicContact CD2-CG1 4.11Å; Y161-V183 HydrophobicContact CD1-CG1 3.77Å; P162-V183 HydrophobicContact CG-CG2 3.98Å; F179-V183 HydrophobicContact CB-CB 4.08Å; F179-V183 HydrophobicContact CB-CG1 4.33Å; F179-V183 HydrophobicContact CB-CG2 4.21Å; F179-V183 HydrophobicContact CD1-CB 4.48Å; F179-V183 HydrophobicContact CD1-CG1 4.18Å; F179-V183 HydrophobicContact CD1-CG2 4.13Å; F179-V183 HydrophobicContact CG-CB 4.49Å; F179-V183 HydrophobicContact CG-CG1 4.27Å; E180-V183 WeakPolarHBondContact O-CB 3.39Å; E180-V183 PolarHBondContact O-N 3.28Å; E181-V183 PolarHBondContact O-N 3.32Å; V183-R186 WeakPolarHBondContact O-CB 3.4Å; V183-R186 PolarHBondContact O-N 3.2Å; V183-E187 PolarHBondContact O-N 3.48Å
184	N	93.7	Very high	94.4	Very high	10 Å²	10	67.7 Å²	67.7	5%	0.053	31%	0.313	C	S	.	.	H	α-helix	trans	-68.5	-37.3	179.6	-89	-8.1	0	0	0	112.2	E112 N113 E181 R186 E187 R188	E112-N184 PolarHBondContact O-ND2 2.84Å; N113-N184 VanDerWaalsContact CG-ND2 3.32Å; N113-N184 VanDerWaalsContact OD1-CG 3.27Å; N113-N184 PolarHBondContact OD1-ND2 2.95Å; E181-N184 PolarHBondContact O-N 3.39Å; N184-R186 VanDerWaalsContact C-N 3.29Å; N184-R186 PolarHBondContact O-N 3.21Å; N184-E187 PolarHBondContact O-N 2.93Å; N184-R188 WeakPolarHBondContact O-CG 3.36Å; N184-R188 PolarHBondContact O-N 3.49Å
185	I	95.1	Very high	94.2	Very high	82 Å²	82	71.3 Å²	71.3	42%	0.421	33%	0.329	S	S	.	.	H	α-helix	trans	-57.1	-45.4	170.9	-68.1	168.4	0	0	0	110.4	E181 R188 Q189	E181-I185 HydrophobicContact CG-CD1 4.02Å; E181-I185 HydrophobicContact CG-CG1 4.35Å; E181-I185 WeakPolarHBondContact O-CG1 3.28Å; E181-I185 PolarHBondContact O-N 3.41Å; I185-R188 PolarHBondContact O-N 3.34Å; I185-Q189 WeakPolarHBondContact O-CG 3.45Å; I185-Q189 PolarHBondContact O-N 2.94Å; I185-Q189 VanDerWaalsContact O-N 3.15Å
186	R	95.3	Very high	94	Very high	80 Å²	80	75.2 Å²	75.2	30%	0.302	35%	0.348	S	S	.	.	H	α-helix	trans	-64.3	-44.2	177.3	-176.8	-176.3	66.6	-166.3	-8.2	112.1	G160 S182 V183 N184 R188 Q189 L190	G160-R186 PolarHBondContact O-NH1 2.96Å; G160-R186 PolarHBondContact O-NH2 3.48Å; S182-R186 PolarHBondContact O-N 3.03Å; S182-R186 VanDerWaalsContact O-N 3.11Å; V183-R186 WeakPolarHBondContact O-CB 3.4Å; V183-R186 PolarHBondContact O-N 3.2Å; N184-R186 VanDerWaalsContact C-N 3.29Å; N184-R186 PolarHBondContact O-N 3.21Å; R186-R188 VanDerWaalsContact C-N 3.34Å; R186-R188 PolarHBondContact O-N 3.24Å; R186-Q189 WeakPolarHBondContact O-CB 3.38Å; R186-Q189 PolarHBondContact O-N 3.41Å; R186-L190 HydrophobicContact CG-CD1 4.38Å; R186-L190 WeakPolarHBondContact O-CG 3.32Å; R186-L190 PolarHBondContact O-N 3.04Å
187	E	94.5	Very high	93.7	Very high	17 Å²	17	78.3 Å²	78.3	8%	0.079	36%	0.36	C	S	.	.	H	α-helix	trans	-58.1	-46.4	177.7	-77	-60.3	131.2	0	0	111.5	R81 L82 V183 N184 Q189 L190 D191	R81-E187 IonicContact CZ-OE2 2.62Å; R81-E187 IonicContact NE-OE2 3.59Å; R81-E187 PolarHBondContact NE-OE2 3.24Å; R81-E187 IonicContact NH2-OE2 2.91Å; R81-E187 PolarHBondContact NH2-OE2 3.18Å; L82-E187 VanDerWaalsContact CB-CD 3.49Å; L82-E187 HydrophobicContact CB-CG 3.76Å; L82-E187 WeakPolarHBondContact CB-OE1 3.38Å; L82-E187 HydrophobicContact CD2-CG 4.41Å; L82-E187 VanDerWaalsContact N-CD 3.35Å; L82-E187 PolarHBondContact N-OE1 3.45Å; V183-E187 PolarHBondContact O-N 3.48Å; N184-E187 PolarHBondContact O-N 2.93Å; E187-Q189 VanDerWaalsContact C-N 3.27Å; E187-Q189 PolarHBondContact O-N 3.08Å; E187-L190 WeakPolarHBondContact O-CA 3.46Å; E187-L190 WeakPolarHBondContact O-CB 3.32Å; E187-L190 PolarHBondContact O-N 3.29Å; E187-D191 PolarHBondContact O-N 3.14Å
188	R	93.5	Very high	93.4	Very high	126 Å²	126	83.2 Å²	83.2	48%	0.475	38%	0.382	S	S	.	.	H	α-helix	trans	-60.5	-35.9	176.9	-69.4	174.3	-178.2	163	3.4	112.7	E112 N184 I185 R186 L190 D191 N192	E112-R188 IonicContact OE2-NH2 3.72Å; E112-R188 PolarHBondContact OE2-NH2 3.28Å; N184-R188 WeakPolarHBondContact O-CG 3.36Å; N184-R188 PolarHBondContact O-N 3.49Å; I185-R188 PolarHBondContact O-N 3.34Å; R186-R188 VanDerWaalsContact C-N 3.34Å; R186-R188 PolarHBondContact O-N 3.24Å; R188-L190 VanDerWaalsContact C-N 3.32Å; R188-D191 PolarHBondContact O-N 3.25Å; R188-N192 PolarHBondContact O-N 2.85Å; R188-N192 PolarHBondContact O-ND2 3.36Å
189	Q	94.1	Very high	93	Very high	122 Å²	122	82.2 Å²	82.2	57%	0.57	38%	0.379	S	S	*	.	H	α-helix	trans	-68.6	-31.3	175	-71.6	174.8	0.6	0	0	112.8	I185 R186 E187	I185-Q189 WeakPolarHBondContact O-CG 3.45Å; I185-Q189 PolarHBondContact O-N 2.94Å; I185-Q189 VanDerWaalsContact O-N 3.15Å; R186-Q189 WeakPolarHBondContact O-CB 3.38Å; R186-Q189 PolarHBondContact O-N 3.41Å; E187-Q189 VanDerWaalsContact C-N 3.27Å; E187-Q189 PolarHBondContact O-N 3.08Å
190	L	91.8	Very high	92.6	Very high	28 Å²	28	87.6 Å²	87.6	15%	0.147	41%	0.405	C	S	.	.	H	α-helix	trans	-75.2	-28.8	176	-68.7	175	0	0	0	112.4	I80 R186 E187 R188 N192	I80-L190 HydrophobicContact CB-CD1 4.42Å; I80-L190 HydrophobicContact CD1-CD1 4.31Å; I80-L190 HydrophobicContact CD1-CD2 3.99Å; I80-L190 HydrophobicContact CG1-CD1 4.31Å; I80-L190 WeakPolarHBondContact O-CD1 3.46Å; R186-L190 HydrophobicContact CG-CD1 4.38Å; R186-L190 WeakPolarHBondContact O-CG 3.32Å; R186-L190 PolarHBondContact O-N 3.04Å; E187-L190 WeakPolarHBondContact O-CA 3.46Å; E187-L190 WeakPolarHBondContact O-CB 3.32Å; E187-L190 PolarHBondContact O-N 3.29Å; R188-L190 VanDerWaalsContact C-N 3.32Å; L190-N192 VanDerWaalsContact C-N 3.28Å
191	D	88.8	Confident	92.2	Very high	95 Å²	95	85.9 Å²	85.9	51%	0.508	40%	0.396	S	S	.	.	H	α-helix	trans	-71.7	-22.1	174.2	-71.2	-30	0	0	0	113.3	R81 E187 R188 R193	R81-D191 IonicContact CZ-OD1 3.36Å; R81-D191 IonicContact NH1-OD1 2.86Å; R81-D191 PolarHBondContact NH1-OD1 3.34Å; R81-D191 IonicContact NH2-OD1 3.22Å; R81-D191 PolarHBondContact NH2-OD1 3.19Å; R81-D191 IonicContact NH2-OD2 2.67Å; E187-D191 PolarHBondContact O-N 3.14Å; R188-D191 PolarHBondContact O-N 3.25Å; D191-R193 VanDerWaalsContact C-N 3.32Å
192	N	85	Confident	91.8	Very high	143 Å²	143	85.5 Å²	85.5	77%	0.765	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	6	178.1	-68.8	-31.6	0	0	0	114.1	R188 L190	R188-N192 PolarHBondContact O-N 2.85Å; R188-N192 PolarHBondContact O-ND2 3.36Å; L190-N192 VanDerWaalsContact C-N 3.28Å
193	R	75.8	Confident	91.3	Very high	265 Å²	265	88.1 Å²	88.1	100%	1	39%	0.393	S	S	*	.			trans	-106.6	0	179.4	-73.2	-176.9	174.6	-169.9	-1.4	111.3	D191	D191-R193 VanDerWaalsContact C-N 3.32Å

Retrieved 193 of 193 residues in 225.9 ms (Link to these results)

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