A0A087X2Z4_POEFO Loading...

Thioredoxin domain-containing protein 12

AlphaFold DB , UniProt , Accession A0A087X2Z4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 180 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	42.7	Very low	49.8	Very low	247 Å²	247	173.6 Å²	173.6	100%	1.217	86%	0.856	S	S	*	*				0	111.7	0	-93.6	170.9	168.1	0	0	109.4
2	R	39.9	Very low	50.4	Low	256 Å²	256	166.8 Å²	166.8	97%	0.966	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-81.2	119	177.7	-72.1	-179.6	177.3	176.5	-0.5	109.5
3	R	44.3	Very low	50.8	Low	243 Å²	243	161.2 Å²	161.2	92%	0.917	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-74.9	120.3	170.1	-75	179.6	175.8	169.6	-1.8	108.7
4	K	48.2	Very low	51.2	Low	212 Å²	212	155 Å²	155	92%	0.922	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-75.3	119.3	169	-79.6	-177.6	-178.1	-178	0	108.2
5	V	54.2	Low	51.7	Low	137 Å²	137	153.1 Å²	153.1	83%	0.83	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-81	116.7	166.8	178.5	0	0	0	0	107.1	K7	V5-K7 PolarHBondContact O-N 3.46Å
6	A	52.6	Low	52.2	Low	94 Å²	94	149.7 Å²	149.7	78%	0.777	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-73.7	120.6	172.6	0	0	0	0	0	108.9	M8	A6-M8 PolarHBondContact O-N 3.11Å
7	K	51.7	Low	52.6	Low	184 Å²	184	146 Å²	146	80%	0.8	75%	0.747	S	S	*	*			trans	-81.8	104	177.3	-158.8	168	-173.8	175.8	0	107.9	V5 Q9	V5-K7 PolarHBondContact O-N 3.46Å; K7-Q9 PolarHBondContact O-N 3.31Å; K7-Q9 VanDerWaalsContact O-N 3.11Å
8	M	49.3	Very low	53	Low	185 Å²	185	146.4 Å²	146.4	91%	0.911	74%	0.743	S	S	*	*			trans	-69.9	100.7	174.6	-170.5	144.6	65.2	0	0	108.6	A6 S10	A6-M8 PolarHBondContact O-N 3.11Å; M8-S10 PolarHBondContact O-N 3.21Å
9	Q	52.5	Low	53.5	Low	166 Å²	166	142.7 Å²	142.7	78%	0.776	73%	0.732	S	S	*	*			trans	-77.9	94.4	173.9	-72.8	-96.1	-19.2	0	0	107.7	K7 S11	K7-Q9 PolarHBondContact O-N 3.31Å; K7-Q9 VanDerWaalsContact O-N 3.11Å; Q9-S11 PolarHBondContact O-N 2.77Å
10	S	55.3	Low	53.8	Low	103 Å²	103	140.6 Å²	140.6	72%	0.72	72%	0.722	S	S	*	*			trans	-73.6	109.9	171.5	-158.6	0	0	0	0	108.1	M8 V12	M8-S10 PolarHBondContact O-N 3.21Å; S10-V12 PolarHBondContact O-N 3.26Å
11	S	56.9	Low	54	Low	83 Å²	83	140.4 Å²	140.4	58%	0.58	72%	0.716	S	S	*	*			trans	-72	100.1	179.8	-168.3	0	0	0	0	108.8	Q9 V13 P14	Q9-S11 PolarHBondContact O-N 2.77Å; S11-V13 PolarHBondContact O-N 3.29Å; S11-P14 WeakPolarHBondContact O-CD 3.35Å
12	V	57	Low	54.8	Low	91 Å²	91	134.8 Å²	134.8	55%	0.552	69%	0.687	S	S	*	*			trans	-76.2	-5.3	176.3	-72.9	0	0	0	0	113.3	S10 P14	S10-V12 PolarHBondContact O-N 3.26Å; V12-P14 VanDerWaalsContact C-CD 3.49Å
13	V	55.4	Low	55.8	Low	94 Å²	94	129 Å²	129	57%	0.57	67%	0.669	S	S	*	*	H	α-helix	trans	-59.4	-45.1	-176.5	-174.4	0	0	0	0	114.1	S11 I15 V17	S11-V13 PolarHBondContact O-N 3.29Å; V13-I15 PolarHBondContact O-N 3.05Å; V13-V17 VanDerWaalsContact O-CG2 3.24Å; V13-V17 WeakPolarHBondContact O-CG2 3.18Å; V13-V17 PolarHBondContact O-N 3.07Å
14	P	56.7	Low	56.4	Low	75 Å²	75	122.3 Å²	122.3	49%	0.487	65%	0.651	S	S	.	*	H	α-helix	trans	-73.3	-25.2	-173.9	28.2	-31.3	0	0	0	113.6	S11 V12 F18	S11-P14 WeakPolarHBondContact O-CD 3.35Å; V12-P14 VanDerWaalsContact C-CD 3.49Å; P14-F18 PolarHBondContact O-N 3.46Å; P14-F18 VanDerWaalsContact O-N 3.16Å
15	I	59.2	Low	56.7	Low	126 Å²	126	117.2 Å²	117.2	65%	0.646	63%	0.633	S	S	*	*	H	α-helix	trans	-74.2	-41.2	-179.4	-58.4	173.5	0	0	0	110.6	V13 V17 F18 S19	V13-I15 PolarHBondContact O-N 3.05Å; I15-V17 VanDerWaalsContact C-N 3.34Å; I15-F18 PolarHBondContact O-N 3.43Å; I15-S19 PolarHBondContact O-N 3.4Å; I15-S19 VanDerWaalsContact O-N 3.07Å
16	I	59.1	Low	56.8	Low	99 Å²	99	119.6 Å²	119.6	51%	0.508	63%	0.628	S	S	.	*	H	α-helix	trans	-67.5	-39.2	178.9	-60.9	169.5	0	0	0	110.1	S19 L20	I16-S19 PolarHBondContact O-N 3.21Å; I16-L20 HydrophobicContact CG2-CD1 3.85Å; I16-L20 WeakPolarHBondContact O-CB 3.23Å; I16-L20 WeakPolarHBondContact O-CG 3.35Å; I16-L20 PolarHBondContact O-N 3.21Å
17	V	59.6	Low	57	Low	87 Å²	87	120 Å²	120	53%	0.527	62%	0.617	S	S	.	*	H	α-helix	trans	-65.4	-40.9	177.2	177	0	0	0	0	111.3	V13 I15 F21	V13-V17 VanDerWaalsContact O-CG2 3.24Å; V13-V17 WeakPolarHBondContact O-CG2 3.18Å; V13-V17 PolarHBondContact O-N 3.07Å; I15-V17 VanDerWaalsContact C-N 3.34Å; V17-F21 WeakPolarHBondContact O-CB 3.4Å; V17-F21 PolarHBondContact O-N 3.4Å
18	F	60	Low	57.1	Low	153 Å²	153	115.5 Å²	115.5	67%	0.671	61%	0.608	S	S	*	*	H	α-helix	trans	-65.3	-42.4	176.6	-114.6	-90.9	0	0	0	112.8	P14 I15 F21 Q22	P14-F18 PolarHBondContact O-N 3.46Å; P14-F18 VanDerWaalsContact O-N 3.16Å; I15-F18 PolarHBondContact O-N 3.43Å; F18-F21 PolarHBondContact O-N 3.36Å; F18-Q22 PolarHBondContact O-N 3.16Å
19	S	60.9	Low	57.1	Low	77 Å²	77	111.9 Å²	111.9	54%	0.538	60%	0.6	S	S	.	*	H	α-helix	trans	-68.4	-37.3	179.1	-169.7	0	0	0	0	112.4	I15 I16 F23	I15-S19 PolarHBondContact O-N 3.4Å; I15-S19 VanDerWaalsContact O-N 3.07Å; I16-S19 PolarHBondContact O-N 3.21Å; S19-F23 WeakPolarHBondContact O-CB 3.1Å; S19-F23 PolarHBondContact O-N 3.37Å
20	L	60	Low	57.2	Low	100 Å²	100	112.7 Å²	112.7	52%	0.524	60%	0.601	S	S	.	*	H	α-helix	trans	-67.4	-37.6	173.9	-83.1	160.8	0	0	0	111.6	I16 F23 L24	I16-L20 HydrophobicContact CG2-CD1 3.85Å; I16-L20 WeakPolarHBondContact O-CB 3.23Å; I16-L20 WeakPolarHBondContact O-CG 3.35Å; I16-L20 PolarHBondContact O-N 3.21Å; L20-F23 PolarHBondContact O-N 2.98Å; L20-L24 WeakPolarHBondContact O-CB 3.38Å; L20-L24 VanDerWaalsContact O-CG 3.23Å; L20-L24 WeakPolarHBondContact O-CG 3.24Å; L20-L24 PolarHBondContact O-N 3.42Å
21	F	58.2	Low	57	Low	136 Å²	136	115.9 Å²	115.9	60%	0.596	61%	0.605	S	S	*	*	H	α-helix	trans	-69.3	-39.6	178.6	-151.4	-97.7	0	0	0	112.2	V17 F18 L24 L25	V17-F21 WeakPolarHBondContact O-CB 3.4Å; V17-F21 PolarHBondContact O-N 3.4Å; F18-F21 PolarHBondContact O-N 3.36Å; F21-L24 PolarHBondContact O-N 3.3Å; F21-L25 HydrophobicContact CD1-CD1 3.9Å; F21-L25 HydrophobicContact CD1-CG 4.39Å; F21-L25 HydrophobicContact CE1-CD1 4.11Å; F21-L25 HydrophobicContact CE1-CG 4.49Å; F21-L25 WeakPolarHBondContact O-CB 3.49Å; F21-L25 VanDerWaalsContact O-CG 3.32Å; F21-L25 WeakPolarHBondContact O-CG 3.44Å; F21-L25 PolarHBondContact O-N 3.4Å
22	Q	60.3	Low	57	Low	130 Å²	130	118.3 Å²	118.3	61%	0.607	61%	0.607	S	S	*	*	H	α-helix	trans	-66.5	-35.3	171.9	-83.1	179.4	-48.8	0	0	112.7	F18 L25 Y26	F18-Q22 PolarHBondContact O-N 3.16Å; Q22-L25 PolarHBondContact O-N 3.02Å; Q22-Y26 WeakPolarHBondContact O-CB 3.42Å; Q22-Y26 PolarHBondContact O-N 3Å
23	F	59.4	Low	56.9	Low	134 Å²	134	120 Å²	120	59%	0.588	62%	0.617	S	S	*	*	H	α-helix	trans	-69.5	-38.6	176.1	-161.4	-103.3	0	0	0	112	S19 L20 Y26 I27	S19-F23 WeakPolarHBondContact O-CB 3.1Å; S19-F23 PolarHBondContact O-N 3.37Å; L20-F23 PolarHBondContact O-N 2.98Å; F23-Y26 PolarHBondContact O-N 3.44Å; F23-I27 HydrophobicContact CD1-CD1 3.71Å; F23-I27 HydrophobicContact CE1-CD1 3.7Å; F23-I27 HydrophobicContact CE1-CG1 4.47Å; F23-I27 WeakPolarHBondContact O-CG1 3.34Å; F23-I27 PolarHBondContact O-N 3.32Å
24	L	57.8	Low	56.9	Low	103 Å²	103	119.4 Å²	119.4	54%	0.539	61%	0.613	S	S	.	*	H	α-helix	trans	-66.5	-38.6	173.3	-72.3	167	0	0	0	112.3	L20 F21 Y26 I27 S28	L20-L24 WeakPolarHBondContact O-CB 3.38Å; L20-L24 VanDerWaalsContact O-CG 3.23Å; L20-L24 WeakPolarHBondContact O-CG 3.24Å; L20-L24 PolarHBondContact O-N 3.42Å; F21-L24 PolarHBondContact O-N 3.3Å; L24-Y26 VanDerWaalsContact C-N 3.31Å; L24-Y26 PolarHBondContact O-N 3.5Å; L24-I27 PolarHBondContact O-N 3.01Å; L24-S28 PolarHBondContact O-N 3.33Å; L24-S28 PolarHBondContact O-OG 3.05Å
25	L	53.7	Low	57	Low	104 Å²	104	122.9 Å²	122.9	55%	0.545	62%	0.623	S	S	.	*	H	α-helix	trans	-65.7	-34.3	172.6	-75	170	0	0	0	112.2	F21 Q22 S28	F21-L25 HydrophobicContact CD1-CD1 3.9Å; F21-L25 HydrophobicContact CD1-CG 4.39Å; F21-L25 HydrophobicContact CE1-CD1 4.11Å; F21-L25 HydrophobicContact CE1-CG 4.49Å; F21-L25 WeakPolarHBondContact O-CB 3.49Å; F21-L25 VanDerWaalsContact O-CG 3.32Å; F21-L25 WeakPolarHBondContact O-CG 3.44Å; F21-L25 PolarHBondContact O-N 3.4Å; Q22-L25 PolarHBondContact O-N 3.02Å; L25-S28 PolarHBondContact O-N 3.04Å
26	Y	57.5	Low	57.1	Low	187 Å²	187	119.7 Å²	119.7	73%	0.733	62%	0.616	S	S	*	*	H	α-helix	trans	-69.2	-39.1	176.6	-159.5	-95.5	0	0	0	112.3	Q22 F23 L24 S28 C29	Q22-Y26 WeakPolarHBondContact O-CB 3.42Å; Q22-Y26 PolarHBondContact O-N 3Å; F23-Y26 PolarHBondContact O-N 3.44Å; L24-Y26 VanDerWaalsContact C-N 3.31Å; L24-Y26 PolarHBondContact O-N 3.5Å; Y26-S28 VanDerWaalsContact C-N 3.27Å; Y26-S28 PolarHBondContact O-N 3.27Å; Y26-C29 PolarHBondContact O-N 2.98Å
27	I	55.6	Low	57.8	Low	103 Å²	103	116.1 Å²	116.1	53%	0.528	60%	0.601	S	S	.	*	H	α-helix	trans	-66.2	-31.3	176.2	-68.5	165.4	0	0	0	111.6	F23 L24 C29	F23-I27 HydrophobicContact CD1-CD1 3.71Å; F23-I27 HydrophobicContact CE1-CD1 3.7Å; F23-I27 HydrophobicContact CE1-CG1 4.47Å; F23-I27 WeakPolarHBondContact O-CG1 3.34Å; F23-I27 PolarHBondContact O-N 3.32Å; L24-I27 PolarHBondContact O-N 3.01Å; I27-C29 PolarHBondContact O-N 3.47Å
28	S	53.9	Low	58.9	Low	90 Å²	90	117.2 Å²	117.2	63%	0.629	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-10.3	-179.5	-50.2	0	0	0	0	113.6	L24 L25 Y26	L24-S28 PolarHBondContact O-N 3.33Å; L24-S28 PolarHBondContact O-OG 3.05Å; L25-S28 PolarHBondContact O-N 3.04Å; Y26-S28 VanDerWaalsContact C-N 3.27Å; Y26-S28 PolarHBondContact O-N 3.27Å
29	C	51.1	Low	60	Low	109 Å²	109	110 Å²	110	74%	0.736	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	0	-174.1	-151.3	0	0	0	0	113.6	Y26 I27	Y26-C29 PolarHBondContact O-N 2.98Å; I27-C29 PolarHBondContact O-N 3.47Å
30	F	52.9	Low	61.4	Low	182 Å²	182	109 Å²	109	80%	0.798	56%	0.558	S	S	*	*			trans	-128.3	34.1	-175.1	-136.5	-89.6	0	0	0	113.7
31	E	51.7	Low	62.9	Low	170 Å²	170	106.1 Å²	106.1	79%	0.794	55%	0.552	S	S	*	*			trans	-94.5	82.3	153.7	-94	176.5	144.3	0	0	107.4	V33	E31-V33 PolarHBondContact O-N 3.33Å
32	E	56.4	Low	64.5	Low	134 Å²	134	99.6 Å²	99.6	63%	0.626	52%	0.523	S	S	*	.			trans	-66.2	98.8	156.5	-139	-174.9	176.1	0	0	104.7	V34 K56	E32-V34 VanDerWaalsContact C-N 3.34Å; E32-V34 PolarHBondContact O-N 3.34Å; E32-K56 IonicContact OE1-NZ 2.67Å; E32-K56 PolarHBondContact OE1-NZ 3.42Å
33	V	55.9	Low	66	Low	127 Å²	127	93.6 Å²	93.6	77%	0.77	50%	0.496	S	S	*	.			trans	-65	99.8	176.5	-170	0	0	0	0	106.1	E31 E35	E31-V33 PolarHBondContact O-N 3.33Å; V33-E35 PolarHBondContact O-N 2.82Å
34	V	56.1	Low	67.4	Low	81 Å²	81	93.6 Å²	93.6	49%	0.491	50%	0.502	S	S	.	.			trans	-65.9	101.1	176.9	-164.5	0	0	0	0	106.8	E32 A36	E32-V34 VanDerWaalsContact C-N 3.34Å; E32-V34 PolarHBondContact O-N 3.34Å; V34-A36 PolarHBondContact O-N 3.44Å
35	E	57.7	Low	68.8	Low	148 Å²	148	93.2 Å²	93.2	69%	0.692	50%	0.501	S	S	*	.			trans	-71	99.6	179.1	-168.5	160.9	179.9	0	0	107.9	V33 A37	V33-E35 PolarHBondContact O-N 2.82Å; E35-A37 PolarHBondContact O-N 3.06Å
36	A	61.3	Low	70.6	Confident	60 Å²	60	88.9 Å²	88.9	50%	0.496	48%	0.478	S	S	.	.	B	Isolated β-bridge	trans	-66.8	125.8	176.6	0	0	0	0	0	109.1	V34	V34-A36 PolarHBondContact O-N 3.44Å
37	A	73.3	Confident	72.2	Confident	23 Å²	23	85.4 Å²	85.4	19%	0.19	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-67.6	150.2	173	0	0	0	0	0	109.5	E35 W48	E35-A37 PolarHBondContact O-N 3.06Å; A37-W48 HydrophobicContact CB-CB 3.95Å; A37-W48 PolarHBondContact N-O 3.08Å; A37-W48 WeakPolarHBondContact O-CB 3.47Å
38	N	82.6	Confident	74.1	Confident	110 Å²	110	80.9 Å²	80.9	59%	0.588	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-76.2	145.1	173.2	-173.2	-27	0	0	0	109.2	R40 N101	N38-R40 HydrophobicContact CB-CG 4.41Å; N38-R40 PolarHBondContact O-N 2.9Å; N38-R40 PolarHBondContact OD1-N 3.22Å; N38-R40 VanDerWaalsContact OD1-N 3.09Å; N38-N101 PolarHBondContact O-ND2 3.08Å; N38-N101 PolarHBondContact O-OD1 2.9Å
39	G	83.9	Confident	76	Confident	3 Å²	3	77.9 Å²	77.9	3%	0.031	42%	0.419	C	S	.	.			trans	-71.1	-13.5	177.7	0	0	0	0	0	115.2	G41 F42	G39-G41 PolarHBondContact O-N 3.13Å; G39-F42 WeakPolarHBondContact O-CB 3.49Å; G39-F42 PolarHBondContact O-N 2.59Å
40	R	90.4	Very high	78.1	Confident	56 Å²	56	74.8 Å²	74.8	21%	0.211	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	51	27.7	172.9	-59.6	-170.1	173.3	124.3	-6.7	114.7	N38 K81 N101 E103 E106	N38-R40 HydrophobicContact CB-CG 4.41Å; N38-R40 PolarHBondContact O-N 2.9Å; N38-R40 PolarHBondContact OD1-N 3.22Å; N38-R40 VanDerWaalsContact OD1-N 3.09Å; R40-K81 VanDerWaalsContact O-CD 3.28Å; R40-K81 WeakPolarHBondContact O-CD 3.33Å; R40-K81 WeakPolarHBondContact O-CE 3.23Å; R40-K81 PolarHBondContact O-NZ 2.85Å; R40-N101 VanDerWaalsContact CD-OD1 3.24Å; R40-N101 WeakPolarHBondContact CD-OD1 3.28Å; R40-N101 PolarHBondContact NH1-O 3.41Å; R40-N101 PolarHBondContact NH1-OD1 2.93Å; R40-E103 WeakPolarHBondContact CD-OE2 3.3Å; R40-E103 VanDerWaalsContact CZ-CB 3.41Å; R40-E103 IonicContact NE-OE2 3.08Å; R40-E103 PolarHBondContact NE-OE2 2.83Å; R40-E106 IonicContact CZ-OE1 3.11Å; R40-E106 IonicContact CZ-OE2 3.74Å; R40-E106 IonicContact NH1-OE1 3.38Å; R40-E106 IonicContact NH1-OE2 3.84Å; R40-E106 PolarHBondContact NH1-OE2 2.67Å; R40-E106 IonicContact NH2-OE1 3.31Å; R40-E106 PolarHBondContact NH2-OE1 3.29Å; R40-E106 IonicContact NH2-OE2 2.74Å; R40-E106 PolarHBondContact NH2-OE2 3.46Å
41	G	90.7	Very high	80.1	Confident	38 Å²	38	67 Å²	67	39%	0.392	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.2	3.6	-178.4	0	0	0	0	0	115.7	G39 K81	G39-G41 PolarHBondContact O-N 3.13Å; G41-K81 CarbonylContact O-C 3.38Å; G41-K81 WeakPolarHBondContact O-CB 3.2Å
42	F	92.1	Very high	82	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.353	C	S	.	.	S	Bend	trans	-84.8	6.7	168.6	-71.5	-80.6	0	0	0	113.2	G39 W48 I68 H70 L80 K81 F84	G39-F42 WeakPolarHBondContact O-CB 3.49Å; G39-F42 PolarHBondContact O-N 2.59Å; F42-W48 HydrophobicContact CB-CH2 3.59Å; F42-W48 HydrophobicContact CB-CZ2 3.38Å; F42-W48 HydrophobicContact CG-CH2 4.37Å; F42-I68 HydrophobicContact CD1-CD1 4.1Å; F42-I68 HydrophobicContact CE1-CD1 4.38Å; F42-I68 HydrophobicContact CE1-CG2 4.06Å; F42-I68 HydrophobicContact CE2-CG2 4.2Å; F42-I68 HydrophobicContact CG-CD1 4.36Å; F42-I68 HydrophobicContact CZ-CG2 3.78Å; F42-H70 AromaticContact CE2-CD2 3.47Å; F42-H70 VanDerWaalsContact CE2-CD2 3.47Å; F42-H70 WeakPolarHBondContact CE2-CD2 3.49Å; F42-H70 AromaticContact CE2-CG 3.88Å; F42-H70 AromaticContact CE2-NE2 3.53Å; F42-L80 HydrophobicContact CE1-CD2 4.23Å; F42-L80 HydrophobicContact CE1-CG 4.29Å; F42-K81 HydrophobicContact CD1-CG 4.13Å; F42-K81 HydrophobicContact CD2-CG 3.95Å; F42-K81 HydrophobicContact CE1-CG 3.88Å; F42-K81 HydrophobicContact CE2-CD 4.24Å; F42-K81 HydrophobicContact CE2-CG 3.67Å; F42-K81 HydrophobicContact CG-CG 4.16Å; F42-K81 HydrophobicContact CZ-CG 3.64Å; F42-F84 HydrophobicContact CB-CD1 4.1Å; F42-F84 HydrophobicContact CB-CE1 4.4Å; F42-F84 HydrophobicContact CD1-CB 3.89Å; F42-F84 HydrophobicContact CD1-CD1 4.15Å; F42-F84 HydrophobicContact CD1-CD2 4.08Å; F42-F84 AromaticContact CD1-CG 3.8Å; F42-F84 HydrophobicContact CD1-CG 3.8Å; F42-F84 WeakPolarHBondContact O-CD1 3.4Å
43	G	91.2	Very high	83.8	Confident	4 Å²	4	60 Å²	60	4%	0.041	33%	0.332	C	S	.	.			trans	115.9	120.9	176.9	0	0	0	0	0	111.4	N45 W48	G43-N45 VanDerWaalsContact C-N 3.29Å; G43-W48 PolarHBondContact O-NE1 2.72Å
44	D	88.8	Confident	85.6	Confident	134 Å²	134	53.9 Å²	53.9	72%	0.717	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-12.1	-178	-57.7	-34.8	0	0	0	112.3	I46	D44-I46 VanDerWaalsContact C-N 3.26Å
45	N	87.7	Confident	87.4	Confident	94 Å²	94	52.8 Å²	52.8	50%	0.503	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-1.7	174	58.2	-63.9	0	0	0	113.4	G43 S91	G43-N45 VanDerWaalsContact C-N 3.29Å; N45-S91 PolarHBondContact ND2-OG 2.87Å
46	I	90.9	Very high	89.2	Confident	14 Å²	14	50.9 Å²	50.9	7%	0.072	27%	0.273	C	S	.	.	S	Bend	trans	-101.1	139.6	177.5	-64.2	173.8	0	0	0	108.9	D44 W48 F84 A94 M99	D44-I46 VanDerWaalsContact C-N 3.26Å; I46-W48 HydrophobicContact CB-CZ2 4.02Å; I46-W48 HydrophobicContact CD1-CZ2 4.1Å; I46-W48 HydrophobicContact CG2-CD2 4.16Å; I46-W48 HydrophobicContact CG2-CH2 4.42Å; I46-W48 HydrophobicContact CG2-CZ2 3.88Å; I46-W48 PolarHBondContact O-N 3.21Å; I46-W48 PolarHBondContact O-NE1 2.97Å; I46-F84 HydrophobicContact CD1-CD1 4.36Å; I46-F84 HydrophobicContact CD1-CE1 3.73Å; I46-A94 HydrophobicContact CD1-CB 4.22Å; I46-A94 HydrophobicContact CG1-CB 4.23Å; I46-A94 HydrophobicContact CG2-CB 4.23Å; I46-M99 HydrophobicContact CG2-CB 3.69Å; I46-M99 HydrophobicContact CG2-CE 4.22Å; I46-M99 HydrophobicContact CG2-CG 3.59Å
47	H	92.1	Very high	90.7	Very high	114 Å²	114	51 Å²	51	53%	0.528	26%	0.264	S	S	.	.			trans	-84.1	102.8	178.6	-161.3	43.5	0	0	0	111.1	R49	H47-R49 PolarHBondContact CD2-NH2 2.91Å; H47-R49 PolarHBondContact CE1-NH1 2.98Å; H47-R49 PolarHBondContact NE2-NH1 3.46Å; H47-R49 PolarHBondContact NE2-NH2 3.34Å
48	W	94.6	Very high	91.7	Very high	7 Å²	7	49.9 Å²	49.9	3%	0.027	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	137.7	-176.6	-59.6	95.2	0	0	0	112.2	A37 F42 G43 I46 I68 F84 M99 N101	A37-W48 HydrophobicContact CB-CB 3.95Å; A37-W48 PolarHBondContact N-O 3.08Å; A37-W48 WeakPolarHBondContact O-CB 3.47Å; F42-W48 HydrophobicContact CB-CH2 3.59Å; F42-W48 HydrophobicContact CB-CZ2 3.38Å; F42-W48 HydrophobicContact CG-CH2 4.37Å; G43-W48 PolarHBondContact O-NE1 2.72Å; I46-W48 HydrophobicContact CB-CZ2 4.02Å; I46-W48 HydrophobicContact CD1-CZ2 4.1Å; I46-W48 HydrophobicContact CG2-CD2 4.16Å; I46-W48 HydrophobicContact CG2-CH2 4.42Å; I46-W48 HydrophobicContact CG2-CZ2 3.88Å; I46-W48 PolarHBondContact O-N 3.21Å; I46-W48 PolarHBondContact O-NE1 2.97Å; W48-I68 HydrophobicContact CH2-CD1 3.85Å; W48-I68 HydrophobicContact CZ3-CD1 4.07Å; W48-F84 HydrophobicContact CH2-CE1 4.13Å; W48-F84 HydrophobicContact CH2-CZ 4.43Å; W48-F84 HydrophobicContact CZ2-CE1 4.41Å; W48-M99 WeakPolarHBondContact CA-O 3.33Å; W48-M99 HydrophobicContact CD2-CB 4.45Å; W48-M99 HydrophobicContact CE3-CB 3.88Å; W48-M99 HydrophobicContact CH2-CE 4.19Å; W48-M99 HydrophobicContact CZ3-CB 4Å; W48-M99 HydrophobicContact CZ3-CE 4.36Å; W48-N101 HydrophobicContact CE3-CB 3.88Å; W48-N101 HydrophobicContact CZ3-CB 3.81Å
49	R	94.3	Very high	92.1	Very high	27 Å²	27	52 Å²	52	10%	0.102	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	156.7	176.5	-63.6	-55.9	-165.5	-151.3	-4.6	112	H47 E57 I98 M99 V100	H47-R49 PolarHBondContact CD2-NH2 2.91Å; H47-R49 PolarHBondContact CE1-NH1 2.98Å; H47-R49 PolarHBondContact NE2-NH1 3.46Å; H47-R49 PolarHBondContact NE2-NH2 3.34Å; R49-E57 IonicContact CZ-OE2 2.66Å; R49-E57 VanDerWaalsContact CZ-OE2 3.31Å; R49-E57 IonicContact NE-OE2 2.63Å; R49-E57 PolarHBondContact NE-OE2 3.39Å; R49-E57 IonicContact NH2-OE1 2.86Å; R49-E57 IonicContact NH2-OE2 3.22Å; R49-E57 PolarHBondContact NH2-OE2 3.25Å; R49-E57 VanDerWaalsContact NH2-OE2 3.08Å; R49-I98 HydrophobicContact CB-CG2 4.27Å; R49-I98 HydrophobicContact CG-CG2 3.93Å; R49-M99 PolarHBondContact N-O 2.97Å; R49-V100 HydrophobicContact CB-CG2 4.22Å
50	T	95.2	Very high	92.5	Very high	45 Å²	45	56.2 Å²	56.2	28%	0.276	30%	0.295	S	S	.	.			trans	-66	161.5	161.4	70.1	0	0	0	0	109.5	E52 D53 G54	T50-E52 VanDerWaalsContact C-N 3.31Å; T50-E52 PolarHBondContact O-N 3.21Å; T50-D53 WeakPolarHBondContact OG1-CB 3.42Å; T50-D53 VanDerWaalsContact OG1-CG 3.23Å; T50-D53 PolarHBondContact OG1-N 3.44Å; T50-D53 PolarHBondContact OG1-OD2 3.43Å; T50-G54 WeakPolarHBondContact O-CA 3.26Å; T50-G54 PolarHBondContact O-N 2.76Å
51	L	94.1	Very high	92.5	Very high	18 Å²	18	56.4 Å²	56.4	9%	0.094	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-40.6	178.3	-177.3	60.9	0	0	0	112.3	K55 V67 V100 L102 P108 F113	L51-K55 WeakPolarHBondContact O-CG 3.21Å; L51-K55 PolarHBondContact O-N 3.36Å; L51-V67 HydrophobicContact CD1-CG2 4.22Å; L51-V100 HydrophobicContact CB-CG1 4.34Å; L51-V100 HydrophobicContact CD1-CG1 4.4Å; L51-L102 HydrophobicContact CB-CD2 4.11Å; L51-L102 HydrophobicContact CD2-CD1 4.19Å; L51-P108 HydrophobicContact CD2-CB 4.38Å; L51-P108 HydrophobicContact CD2-CG 3.46Å; L51-P108 VanDerWaalsContact CD2-CG 3.46Å; L51-F113 HydrophobicContact CD1-CE1 4.22Å; L51-F113 HydrophobicContact CD1-CZ 4.22Å; L51-F113 HydrophobicContact CD2-CE1 4.36Å; L51-F113 HydrophobicContact CD2-CZ 4.01Å
52	E	93	Very high	92.6	Very high	122 Å²	122	55.7 Å²	55.7	57%	0.57	30%	0.298	S	S	*	.	H	α-helix	trans	-69.4	-48.1	-177.4	-60.6	-54.2	133	0	0	111.2	T50 G54 K55 K56	T50-E52 VanDerWaalsContact C-N 3.31Å; T50-E52 PolarHBondContact O-N 3.21Å; E52-G54 VanDerWaalsContact C-N 3.32Å; E52-G54 PolarHBondContact O-N 3.2Å; E52-K55 PolarHBondContact O-N 3.07Å; E52-K56 PolarHBondContact O-N 2.98Å
53	D	93.4	Very high	92.7	Very high	34 Å²	34	58.2 Å²	58.2	18%	0.182	31%	0.311	C	S	.	.	H	α-helix	trans	-68.9	-35.9	177.4	-60.1	-35.1	0	0	0	111.3	T50 K55 K56 E57	T50-D53 WeakPolarHBondContact OG1-CB 3.42Å; T50-D53 VanDerWaalsContact OG1-CG 3.23Å; T50-D53 PolarHBondContact OG1-N 3.44Å; T50-D53 PolarHBondContact OG1-OD2 3.43Å; D53-K55 VanDerWaalsContact C-N 3.3Å; D53-K55 PolarHBondContact O-N 3.4Å; D53-K56 PolarHBondContact O-N 3.17Å; D53-K56 IonicContact OD1-NZ 3.53Å; D53-E57 WeakPolarHBondContact O-CB 3.49Å; D53-E57 PolarHBondContact O-N 2.94Å
54	G	94.1	Very high	93	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-61.3	-38.8	176.9	0	0	0	0	0	112.4	T50 E52 A58	T50-G54 WeakPolarHBondContact O-CA 3.26Å; T50-G54 PolarHBondContact O-N 2.76Å; E52-G54 VanDerWaalsContact C-N 3.32Å; E52-G54 PolarHBondContact O-N 3.2Å; G54-A58 WeakPolarHBondContact O-CB 3.48Å; G54-A58 PolarHBondContact O-N 3.01Å
55	K	94.2	Very high	93.4	Very high	58 Å²	58	51.7 Å²	51.7	25%	0.252	28%	0.275	S	S	.	.	H	α-helix	trans	-67.8	-44	173.9	-75.6	175.5	178.9	177.5	0	112.4	L51 E52 D53 A58 E59	L51-K55 WeakPolarHBondContact O-CG 3.21Å; L51-K55 PolarHBondContact O-N 3.36Å; E52-K55 PolarHBondContact O-N 3.07Å; D53-K55 VanDerWaalsContact C-N 3.3Å; D53-K55 PolarHBondContact O-N 3.4Å; K55-A58 PolarHBondContact O-N 2.66Å; K55-E59 PolarHBondContact O-N 3.49Å
56	K	94.9	Very high	93.9	Very high	107 Å²	107	47.2 Å²	47.2	47%	0.465	25%	0.251	S	S	.	.	H	α-helix	trans	-60.6	-45.4	175.9	-68.6	175.9	-178.1	172	0	111.5	E32 E52 D53 E59 A60	E32-K56 IonicContact OE1-NZ 2.67Å; E32-K56 PolarHBondContact OE1-NZ 3.42Å; E52-K56 PolarHBondContact O-N 2.98Å; D53-K56 PolarHBondContact O-N 3.17Å; D53-K56 IonicContact OD1-NZ 3.53Å; K56-E59 PolarHBondContact O-N 3.37Å; K56-A60 WeakPolarHBondContact O-CB 3.48Å; K56-A60 PolarHBondContact O-N 2.91Å
57	E	93.1	Very high	94.2	Very high	63 Å²	63	46.5 Å²	46.5	29%	0.294	25%	0.248	S	C	.	.	H	α-helix	trans	-66.9	-38.2	179.3	-172.6	174.3	166.9	0	0	111.5	R49 D53 A60 S61 I98	R49-E57 IonicContact CZ-OE2 2.66Å; R49-E57 VanDerWaalsContact CZ-OE2 3.31Å; R49-E57 IonicContact NE-OE2 2.63Å; R49-E57 PolarHBondContact NE-OE2 3.39Å; R49-E57 IonicContact NH2-OE1 2.86Å; R49-E57 IonicContact NH2-OE2 3.22Å; R49-E57 PolarHBondContact NH2-OE2 3.25Å; R49-E57 VanDerWaalsContact NH2-OE2 3.08Å; D53-E57 WeakPolarHBondContact O-CB 3.49Å; D53-E57 PolarHBondContact O-N 2.94Å; E57-A60 PolarHBondContact O-N 3.31Å; E57-S61 VanDerWaalsContact O-CB 3.24Å; E57-S61 WeakPolarHBondContact O-CB 3.32Å; E57-S61 PolarHBondContact O-N 2.96Å; E57-S61 PolarHBondContact O-OG 2.83Å; E57-I98 HydrophobicContact CB-CD1 4.38Å; E57-I98 HydrophobicContact CG-CD1 3.7Å; E57-I98 HydrophobicContact CG-CG1 4.36Å
58	A	93.4	Very high	94.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-44.4	174.5	0	0	0	0	0	112.1	G54 K55 A60 G62 L63 V65 I98 P128	G54-A58 WeakPolarHBondContact O-CB 3.48Å; G54-A58 PolarHBondContact O-N 3.01Å; K55-A58 PolarHBondContact O-N 2.66Å; A58-A60 VanDerWaalsContact C-N 3.32Å; A58-A60 PolarHBondContact O-N 3.18Å; A58-G62 WeakPolarHBondContact O-CA 3.23Å; A58-G62 PolarHBondContact O-N 2.97Å; A58-L63 WeakPolarHBondContact CA-O 3.2Å; A58-L63 VanDerWaalsContact CB-O 3.26Å; A58-L63 WeakPolarHBondContact CB-O 3.37Å; A58-V65 HydrophobicContact CB-CG2 3.43Å; A58-V65 VanDerWaalsContact CB-CG2 3.43Å; A58-I98 HydrophobicContact CB-CG1 4.13Å; A58-P128 CarbonylContact C-O 3.48Å
59	E	91.9	Very high	94.6	Very high	155 Å²	155	40.8 Å²	40.8	72%	0.724	22%	0.221	S	C	*	.	H	α-helix	trans	-63.5	-39.6	177.1	-173.2	173.7	-165.1	0	0	111.6	K55 K56 P128	K55-E59 PolarHBondContact O-N 3.49Å; K56-E59 PolarHBondContact O-N 3.37Å; E59-P128 VanDerWaalsContact CA-O 3.3Å; E59-P128 WeakPolarHBondContact CA-O 3.12Å; E59-P128 PolarHBondContact N-O 3.4Å
60	A	92.4	Very high	94.6	Very high	91 Å²	91	39.5 Å²	39.5	75%	0.752	22%	0.216	S	C	*	.	H	α-helix	trans	-74.3	-39.6	179.6	0	0	0	0	0	113.7	K56 E57 A58	K56-A60 WeakPolarHBondContact O-CB 3.48Å; K56-A60 PolarHBondContact O-N 2.91Å; E57-A60 PolarHBondContact O-N 3.31Å; A58-A60 VanDerWaalsContact C-N 3.32Å; A58-A60 PolarHBondContact O-N 3.18Å
61	S	91	Very high	94.6	Very high	59 Å²	59	38.7 Å²	38.7	41%	0.413	21%	0.209	S	C	.	.	H	α-helix	trans	-90.2	-18.3	-175.8	63.4	0	0	0	0	113.6	E57 L63	E57-S61 VanDerWaalsContact O-CB 3.24Å; E57-S61 WeakPolarHBondContact O-CB 3.32Å; E57-S61 PolarHBondContact O-N 2.96Å; E57-S61 PolarHBondContact O-OG 2.83Å; S61-L63 PolarHBondContact O-N 3.15Å; S61-L63 WeakPolarHBondContact OG-CB 3.43Å; S61-L63 PolarHBondContact OG-N 3.3Å
62	G	92.8	Very high	94.4	Very high	23 Å²	23	40.3 Å²	40.3	24%	0.237	22%	0.222	C	C	.	.			trans	71	13.7	-171.9	0	0	0	0	0	113.6	A58 P128	A58-G62 WeakPolarHBondContact O-CA 3.23Å; A58-G62 PolarHBondContact O-N 2.97Å; G62-P128 VanDerWaalsContact O-CG 3.26Å; G62-P128 WeakPolarHBondContact O-CG 3.02Å
63	L	94.3	Very high	94.3	Very high	54 Å²	54	43.3 Å²	43.3	28%	0.283	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-89.6	141.8	178.6	-63.2	178.6	0	0	0	111.3	A58 S61 I98	A58-L63 WeakPolarHBondContact CA-O 3.2Å; A58-L63 VanDerWaalsContact CB-O 3.26Å; A58-L63 WeakPolarHBondContact CB-O 3.37Å; S61-L63 PolarHBondContact O-N 3.15Å; S61-L63 WeakPolarHBondContact OG-CB 3.43Å; S61-L63 PolarHBondContact OG-N 3.3Å; L63-I98 HydrophobicContact CB-CD1 4.21Å; L63-I98 HydrophobicContact CB-CG1 4.15Å; L63-I98 HydrophobicContact CD1-CD1 4.09Å
64	P	97	Very high	94.2	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-67.2	155.7	173.1	27.6	-35.2	0	0	0	111.7	F97 I98 L126 L166 T167	P64-F97 HydrophobicContact CB-CD1 3.94Å; P64-F97 HydrophobicContact CB-CE1 3.94Å; P64-F97 HydrophobicContact CG-CD1 3.52Å; P64-F97 HydrophobicContact CG-CE1 3.46Å; P64-F97 VanDerWaalsContact CG-CE1 3.46Å; P64-F97 HydrophobicContact CG-CG 4.31Å; P64-F97 HydrophobicContact CG-CZ 4.22Å; P64-F97 CarbonylContact O-C 3.57Å; P64-F97 VanDerWaalsContact O-CA 3.3Å; P64-F97 WeakPolarHBondContact O-CA 3.24Å; P64-I98 PolarHBondContact O-N 3.21Å; P64-L126 WeakPolarHBondContact CA-O 3.49Å; P64-L126 WeakPolarHBondContact CB-O 3.34Å; P64-L166 HydrophobicContact CB-CB 3.85Å; P64-L166 HydrophobicContact CB-CD1 3.95Å; P64-L166 HydrophobicContact CG-CB 4.4Å; P64-T167 HydrophobicContact CG-CG2 3.86Å
65	V	97.5	Very high	94.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	134.3	175.9	-168	0	0	0	0	109.7	A58 V67 I98 V100 F125 L126	A58-V65 HydrophobicContact CB-CG2 3.43Å; A58-V65 VanDerWaalsContact CB-CG2 3.43Å; V65-V67 HydrophobicContact CG1-CG2 3.85Å; V65-I98 CarbonylContact C-O 3.59Å; V65-I98 WeakPolarHBondContact CA-O 3.43Å; V65-I98 HydrophobicContact CG1-CB 4.4Å; V65-I98 VanDerWaalsContact CG1-O 3.3Å; V65-I98 WeakPolarHBondContact CG1-O 3.42Å; V65-I98 HydrophobicContact CG2-CB 4.23Å; V65-V100 HydrophobicContact CG1-CB 4.28Å; V65-V100 HydrophobicContact CG1-CG2 3.65Å; V65-F125 WeakPolarHBondContact O-CA 3.43Å; V65-L126 HydrophobicContact CB-CB 4.09Å; V65-L126 HydrophobicContact CG2-CB 4.5Å; V65-L126 PolarHBondContact N-O 3.03Å; V65-L126 PolarHBondContact O-N 3.22Å
66	M	97.8	Very high	94	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	118.4	167.7	-179.6	-178.7	176.4	0	0	109.1	I68 F84 F97 I98 M99 V100 I123 F125 V155 M159	M66-I68 HydrophobicContact CE-CD1 4.33Å; M66-I68 HydrophobicContact CE-CG1 4.37Å; M66-F84 HydrophobicContact CE-CE2 3.65Å; M66-F84 HydrophobicContact CE-CZ 3.86Å; M66-F97 HydrophobicContact CB-CB 4.34Å; M66-F97 HydrophobicContact CB-CD1 4.16Å; M66-F97 HydrophobicContact CB-CG 4.42Å; M66-I98 PolarHBondContact N-O 2.84Å; M66-M99 HydrophobicContact CB-SD 3.9Å; M66-M99 HydrophobicContact CG-CE 4.5Å; M66-M99 HydrophobicContact CG-SD 4.42Å; M66-M99 HydrophobicContact SD-CE 3.63Å; M66-M99 HydrophobicContact SD-SD 3.91Å; M66-V100 PolarHBondContact O-N 3.28Å; M66-I123 HydrophobicContact CE-CD1 4.09Å; M66-I123 HydrophobicContact CE-CG2 3.52Å; M66-I123 HydrophobicContact CG-CG2 4.08Å; M66-F125 HydrophobicContact CB-CD1 4.17Å; M66-F125 HydrophobicContact CB-CE1 4.09Å; M66-F125 HydrophobicContact CG-CD1 4.16Å; M66-F125 HydrophobicContact CG-CE1 3.71Å; M66-F125 HydrophobicContact CG-CZ 4.43Å; M66-F125 HydrophobicContact SD-CE1 4.02Å; M66-V155 HydrophobicContact CE-CG1 3.59Å; M66-M159 HydrophobicContact CE-CG 4.11Å; M66-M159 HydrophobicContact CE-SD 4.21Å; M66-M159 HydrophobicContact SD-CE 3.78Å; M66-M159 HydrophobicContact SD-CG 3.78Å; M66-M159 HydrophobicContact SD-SD 3.93Å
67	V	97.8	Very high	93.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.8	-177.8	-178.6	0	0	0	0	109.8	L51 V65 I69 V100 L102 F113 I123 L124 L126	L51-V67 HydrophobicContact CD1-CG2 4.22Å; V65-V67 HydrophobicContact CG1-CG2 3.85Å; V67-I69 HydrophobicContact CG1-CG1 4.07Å; V67-V100 CarbonylContact C-O 3.57Å; V67-V100 WeakPolarHBondContact CA-O 3.29Å; V67-V100 HydrophobicContact CG1-CG1 4.43Å; V67-V100 HydrophobicContact CG2-CB 4.18Å; V67-V100 HydrophobicContact CG2-CG1 4.45Å; V67-L102 HydrophobicContact CG1-CD1 3.68Å; V67-L102 HydrophobicContact CG1-CG 4.16Å; V67-F113 HydrophobicContact CG1-CE1 4.4Å; V67-F113 HydrophobicContact CG2-CE1 4.48Å; V67-I123 WeakPolarHBondContact O-CA 3.44Å; V67-L124 PolarHBondContact N-O 2.76Å; V67-L124 PolarHBondContact O-N 2.86Å; V67-L126 HydrophobicContact CB-CD1 4.31Å; V67-L126 HydrophobicContact CG2-CD1 3.63Å; V67-L126 HydrophobicContact CG2-CD2 4.29Å
68	I	97.1	Very high	93.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	112.8	174.9	-51.5	178.7	0	0	0	108.9	F42 W48 M66 F84 V100 N101 L102 R122 I123	F42-I68 HydrophobicContact CD1-CD1 4.1Å; F42-I68 HydrophobicContact CE1-CD1 4.38Å; F42-I68 HydrophobicContact CE1-CG2 4.06Å; F42-I68 HydrophobicContact CE2-CG2 4.2Å; F42-I68 HydrophobicContact CG-CD1 4.36Å; F42-I68 HydrophobicContact CZ-CG2 3.78Å; W48-I68 HydrophobicContact CH2-CD1 3.85Å; W48-I68 HydrophobicContact CZ3-CD1 4.07Å; M66-I68 HydrophobicContact CE-CD1 4.33Å; M66-I68 HydrophobicContact CE-CG1 4.37Å; I68-F84 HydrophobicContact CD1-CD2 4.36Å; I68-F84 HydrophobicContact CD1-CE1 4.4Å; I68-F84 HydrophobicContact CD1-CE2 3.61Å; I68-F84 HydrophobicContact CD1-CZ 3.65Å; I68-V100 PolarHBondContact N-O 3.49Å; I68-N101 HydrophobicContact CB-CB 4.44Å; I68-N101 CarbonylContact O-C 3.26Å; I68-N101 WeakPolarHBondContact O-CA 3.41Å; I68-L102 PolarHBondContact O-N 2.9Å; I68-R122 WeakPolarHBondContact CA-O 3.07Å; I68-I123 HydrophobicContact CG1-CG1 4.26Å; I68-I123 HydrophobicContact CG2-CG1 4.33Å
69	I	96.8	Very high	93.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.7	176	-57.2	174.2	0	0	0	108.5	V67 L102 E107 F113 P121 R122 L124	V67-I69 HydrophobicContact CG1-CG1 4.07Å; I69-L102 HydrophobicContact CG1-CD1 4.43Å; I69-E107 HydrophobicContact CG2-CB 4.15Å; I69-E107 HydrophobicContact CG2-CG 3.8Å; I69-F113 HydrophobicContact CD1-CB 3.93Å; I69-F113 HydrophobicContact CD1-CD1 4.16Å; I69-P121 CarbonylContact O-C 3.6Å; I69-P121 VanDerWaalsContact O-CA 3.24Å; I69-P121 WeakPolarHBondContact O-CA 3.26Å; I69-R122 PolarHBondContact N-O 3.03Å; I69-R122 PolarHBondContact O-N 2.96Å; I69-L124 HydrophobicContact CD1-CD1 4.24Å
70	H	95.8	Very high	94	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	170.4	179.9	66.6	94.1	0	0	0	112.3	F42 C77 L102 E103 D104 P121	F42-H70 AromaticContact CE2-CD2 3.47Å; F42-H70 VanDerWaalsContact CE2-CD2 3.47Å; F42-H70 WeakPolarHBondContact CE2-CD2 3.49Å; F42-H70 AromaticContact CE2-CG 3.88Å; F42-H70 AromaticContact CE2-NE2 3.53Å; H70-C77 HydrophobicContact CB-CB 4.08Å; H70-L102 PolarHBondContact N-O 2.68Å; H70-E103 VanDerWaalsContact CE1-CB 3.48Å; H70-E103 WeakPolarHBondContact CE1-CB 3.3Å; H70-E103 IonicContact CE1-OE1 2.67Å; H70-E103 PolarHBondContact CE1-OE1 3.15Å; H70-E103 IonicContact ND1-OE1 3.73Å; H70-E103 PolarHBondContact ND1-OE1 3.15Å; H70-E103 WeakPolarHBondContact O-CA 3.14Å; H70-D104 PolarHBondContact O-N 3.35Å; H70-D104 VanDerWaalsContact O-N 3.16Å; H70-P121 HydrophobicContact CB-CB 4.39Å
71	K	93.7	Very high	94.1	Very high	29 Å²	29	34.5 Å²	34.5	13%	0.126	20%	0.203	C	C	.	.			trans	-126.4	150.8	173	-54.1	-68.5	177.4	177.8	0	110.7	W73 C74 D104 E107 I120	K71-W73 VanDerWaalsContact C-N 3.29Å; K71-W73 HydrophobicContact CB-CD2 4.3Å; K71-W73 HydrophobicContact CB-CG 4.44Å; K71-W73 HydrophobicContact CB-CZ2 4.21Å; K71-W73 HydrophobicContact CG-CZ2 4.07Å; K71-W73 PolarHBondContact O-N 2.83Å; K71-C74 HydrophobicContact CB-CB 4.22Å; K71-C74 WeakPolarHBondContact O-CB 3.48Å; K71-C74 PolarHBondContact O-N 2.98Å; K71-D104 WeakPolarHBondContact CA-OD1 3.13Å; K71-D104 WeakPolarHBondContact CB-OD1 3.25Å; K71-D104 PolarHBondContact NZ-O 3.03Å; K71-E107 WeakPolarHBondContact CE-OE2 3.38Å; K71-E107 IonicContact NZ-OE2 2.64Å; K71-E107 PolarHBondContact NZ-OE2 2.89Å; K71-I120 HydrophobicContact CB-CD1 3.59Å; K71-I120 HydrophobicContact CG-CD1 3.2Å; K71-I120 HydrophobicContact CG-CG1 4.5Å; K71-I120 HydrophobicContact CG-CG2 4.31Å
72	S	91.3	Very high	94.3	Very high	52 Å²	52	34.5 Å²	34.5	36%	0.364	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-31	-178.1	55.7	0	0	0	0	113.2	K78 D104	S72-K78 WeakPolarHBondContact O-CE 3.46Å; S72-D104 VanDerWaalsContact CB-OD2 3.23Å; S72-D104 WeakPolarHBondContact CB-OD2 3.44Å; S72-D104 PolarHBondContact N-OD1 2.97Å; S72-D104 PolarHBondContact OG-OD1 2.87Å; S72-D104 PolarHBondContact OG-OD2 3.19Å
73	W	90.4	Very high	94.4	Very high	185 Å²	185	38 Å²	38	70%	0.701	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-7.1	-179.4	54.1	-95.1	0	0	0	114.4	K71 G75 I120	K71-W73 VanDerWaalsContact C-N 3.29Å; K71-W73 HydrophobicContact CB-CD2 4.3Å; K71-W73 HydrophobicContact CB-CG 4.44Å; K71-W73 HydrophobicContact CB-CZ2 4.21Å; K71-W73 HydrophobicContact CG-CZ2 4.07Å; K71-W73 PolarHBondContact O-N 2.83Å; W73-G75 PolarHBondContact O-N 3.23Å; W73-I120 HydrophobicContact CH2-CD1 3.87Å; W73-I120 HydrophobicContact CZ2-CD1 4.06Å; W73-I120 HydrophobicContact CZ3-CD1 4.33Å
74	C	91.1	Very high	94.5	Very high	7 Å²	7	35.5 Å²	35.5	5%	0.047	20%	0.197	C	C	.	.			trans	-75.9	118.6	-173.5	163.6	0	0	0	0	112.9	K71 C77 K78 I120	K71-C74 HydrophobicContact CB-CB 4.22Å; K71-C74 WeakPolarHBondContact O-CB 3.48Å; K71-C74 PolarHBondContact O-N 2.98Å; C74-C77 HydrophobicContact CB-CB 3.67Å; C74-C77 WeakPolarHBondContact CB-SG 3.41Å; C74-C77 WeakPolarHBondContact O-CB 3.41Å; C74-C77 PolarHBondContact O-N 3.42Å; C74-C77 WeakPolarHBondContact SG-CB 3.4Å; C74-C77 PolarHBondContact SG-N 3.45Å; C74-C77 CovalentContact SG-SG 2.06Å; C74-C77 PolarHBondContact SG-SG 2.69Å; C74-K78 WeakPolarHBondContact O-CG 3.11Å; C74-K78 PolarHBondContact O-N 3.47Å; C74-I120 HydrophobicContact CB-CD1 3.63Å; C74-I120 HydrophobicContact CB-CG1 4.24Å
75	G	92	Very high	94.4	Very high	56 Å²	56	37 Å²	37	58%	0.577	21%	0.21	S	C	*	.	H	α-helix	trans	-64.3	-42.7	179.4	0	0	0	0	0	113.9	W73 C77 K78 A79	W73-G75 PolarHBondContact O-N 3.23Å; G75-C77 VanDerWaalsContact C-N 3.31Å; G75-C77 PolarHBondContact O-N 3.48Å; G75-K78 PolarHBondContact O-N 3.02Å; G75-A79 PolarHBondContact O-N 2.83Å; G75-A79 VanDerWaalsContact O-N 3.13Å
76	A	92.1	Very high	94.3	Very high	43 Å²	43	44.6 Å²	44.6	36%	0.355	25%	0.245	S	C	.	.	H	α-helix	trans	-63.2	-38.1	177.6	0	0	0	0	0	112.1	A79 L80 F148	A76-A79 PolarHBondContact O-N 3.38Å; A76-L80 PolarHBondContact O-N 2.88Å; A76-F148 HydrophobicContact CB-CE2 3.9Å; A76-F148 HydrophobicContact CB-CZ 4.13Å
77	C	92.1	Very high	94.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-44.7	177	-50.5	0	0	0	0	110.7	H70 C74 G75 A79 L80 K81 P121	H70-C77 HydrophobicContact CB-CB 4.08Å; C74-C77 HydrophobicContact CB-CB 3.67Å; C74-C77 WeakPolarHBondContact CB-SG 3.41Å; C74-C77 WeakPolarHBondContact O-CB 3.41Å; C74-C77 PolarHBondContact O-N 3.42Å; C74-C77 WeakPolarHBondContact SG-CB 3.4Å; C74-C77 PolarHBondContact SG-N 3.45Å; C74-C77 CovalentContact SG-SG 2.06Å; C74-C77 PolarHBondContact SG-SG 2.69Å; G75-C77 VanDerWaalsContact C-N 3.31Å; G75-C77 PolarHBondContact O-N 3.48Å; C77-A79 VanDerWaalsContact C-N 3.27Å; C77-A79 PolarHBondContact O-N 2.7Å; C77-L80 PolarHBondContact O-N 3.03Å; C77-K81 WeakPolarHBondContact O-CG 3.37Å; C77-K81 PolarHBondContact O-N 2.9Å; C77-P121 VanDerWaalsContact SG-CD 3.52Å
78	K	92.4	Very high	94	Very high	126 Å²	126	53.6 Å²	53.6	55%	0.548	29%	0.287	S	S	.	.	H	α-helix	trans	-61.3	-34.3	175.2	-69.8	175.7	-177.8	177	0	112.8	S72 C74 G75 P82	S72-K78 WeakPolarHBondContact O-CE 3.46Å; C74-K78 WeakPolarHBondContact O-CG 3.11Å; C74-K78 PolarHBondContact O-N 3.47Å; G75-K78 PolarHBondContact O-N 3.02Å; K78-P82 WeakPolarHBondContact O-CD 3.28Å
79	A	94.5	Very high	94	Very high	54 Å²	54	57.4 Å²	57.4	45%	0.446	31%	0.305	S	S	.	.	H	α-helix	trans	-75.6	-28.5	177.2	0	0	0	0	0	113.3	G75 A76 C77	G75-A79 PolarHBondContact O-N 2.83Å; G75-A79 VanDerWaalsContact O-N 3.13Å; A76-A79 PolarHBondContact O-N 3.38Å; C77-A79 VanDerWaalsContact C-N 3.27Å; C77-A79 PolarHBondContact O-N 2.7Å
80	L	94	Very high	93.9	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-79.2	-40.6	179.1	-176.9	63.6	0	0	0	112.4	F42 A76 C77 K83 F84 P121 I123 Y149 V155	F42-L80 HydrophobicContact CE1-CD2 4.23Å; F42-L80 HydrophobicContact CE1-CG 4.29Å; A76-L80 PolarHBondContact O-N 2.88Å; C77-L80 PolarHBondContact O-N 3.03Å; L80-K83 PolarHBondContact O-N 2.78Å; L80-K83 VanDerWaalsContact O-N 3.13Å; L80-F84 WeakPolarHBondContact O-CB 3.3Å; L80-F84 PolarHBondContact O-N 3Å; L80-P121 HydrophobicContact CD2-CG 4.05Å; L80-I123 HydrophobicContact CD2-CD1 4.45Å; L80-Y149 WeakPolarHBondContact CD2-O 3.47Å; L80-V155 HydrophobicContact CD1-CG2 4.47Å
81	K	94.1	Very high	93.9	Very high	33 Å²	33	58.6 Å²	58.6	14%	0.143	31%	0.313	C	S	.	.	H	α-helix	trans	-42.3	-58.1	-179.4	-81.9	177.3	-178.4	-161.8	0	114.3	R40 G41 F42 C77 K83 F84 A85 E103	R40-K81 VanDerWaalsContact O-CD 3.28Å; R40-K81 WeakPolarHBondContact O-CD 3.33Å; R40-K81 WeakPolarHBondContact O-CE 3.23Å; R40-K81 PolarHBondContact O-NZ 2.85Å; G41-K81 CarbonylContact O-C 3.38Å; G41-K81 WeakPolarHBondContact O-CB 3.2Å; F42-K81 HydrophobicContact CD1-CG 4.13Å; F42-K81 HydrophobicContact CD2-CG 3.95Å; F42-K81 HydrophobicContact CE1-CG 3.88Å; F42-K81 HydrophobicContact CE2-CD 4.24Å; F42-K81 HydrophobicContact CE2-CG 3.67Å; F42-K81 HydrophobicContact CG-CG 4.16Å; F42-K81 HydrophobicContact CZ-CG 3.64Å; C77-K81 WeakPolarHBondContact O-CG 3.37Å; C77-K81 PolarHBondContact O-N 2.9Å; K81-K83 PolarHBondContact O-N 2.94Å; K81-F84 WeakPolarHBondContact O-CB 3.31Å; K81-F84 PolarHBondContact O-N 3.18Å; K81-A85 WeakPolarHBondContact O-CB 3.44Å; K81-A85 PolarHBondContact O-N 2.83Å; K81-E103 IonicContact NZ-OE1 3.61Å
82	P	95.6	Very high	93.9	Very high	59 Å²	59	63.3 Å²	63.3	38%	0.383	34%	0.336	S	S	.	.	H	α-helix	trans	-65.4	-40.8	-178.4	25.3	-34	0	0	0	112.6	K78 F84 A85 E86	K78-P82 WeakPolarHBondContact O-CD 3.28Å; P82-F84 PolarHBondContact O-N 3.43Å; P82-A85 PolarHBondContact O-N 3.08Å; P82-E86 VanDerWaalsContact O-CB 3.32Å; P82-E86 WeakPolarHBondContact O-CB 3.15Å; P82-E86 VanDerWaalsContact O-CG 3.26Å; P82-E86 WeakPolarHBondContact O-CG 3.48Å; P82-E86 PolarHBondContact O-N 2.67Å
83	K	95.1	Very high	94.1	Very high	97 Å²	97	61.7 Å²	61.7	42%	0.422	32%	0.323	S	S	.	.	H	α-helix	trans	-61.8	-35.9	178	-58.6	-179.3	-173.1	-178.8	0	112	L80 K81 S150	L80-K83 PolarHBondContact O-N 2.78Å; L80-K83 VanDerWaalsContact O-N 3.13Å; K81-K83 PolarHBondContact O-N 2.94Å; K83-S150 PolarHBondContact NZ-O 2.97Å
84	F	96.1	Very high	94.3	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	29%	0.293	C	S	.	.	H	α-helix	trans	-70.1	-51.3	176.9	-165.9	-72.1	0	0	0	110.5	F42 I46 W48 M66 I68 L80 K81 P82 E86 S87 I90 M99 V155	F42-F84 HydrophobicContact CB-CD1 4.1Å; F42-F84 HydrophobicContact CB-CE1 4.4Å; F42-F84 HydrophobicContact CD1-CB 3.89Å; F42-F84 HydrophobicContact CD1-CD1 4.15Å; F42-F84 HydrophobicContact CD1-CD2 4.08Å; F42-F84 AromaticContact CD1-CG 3.8Å; F42-F84 HydrophobicContact CD1-CG 3.8Å; F42-F84 WeakPolarHBondContact O-CD1 3.4Å; I46-F84 HydrophobicContact CD1-CD1 4.36Å; I46-F84 HydrophobicContact CD1-CE1 3.73Å; W48-F84 HydrophobicContact CH2-CE1 4.13Å; W48-F84 HydrophobicContact CH2-CZ 4.43Å; W48-F84 HydrophobicContact CZ2-CE1 4.41Å; M66-F84 HydrophobicContact CE-CE2 3.65Å; M66-F84 HydrophobicContact CE-CZ 3.86Å; I68-F84 HydrophobicContact CD1-CD2 4.36Å; I68-F84 HydrophobicContact CD1-CE1 4.4Å; I68-F84 HydrophobicContact CD1-CE2 3.61Å; I68-F84 HydrophobicContact CD1-CZ 3.65Å; L80-F84 WeakPolarHBondContact O-CB 3.3Å; L80-F84 PolarHBondContact O-N 3Å; K81-F84 WeakPolarHBondContact O-CB 3.31Å; K81-F84 PolarHBondContact O-N 3.18Å; P82-F84 PolarHBondContact O-N 3.43Å; F84-E86 VanDerWaalsContact C-N 3.34Å; F84-E86 PolarHBondContact O-N 2.78Å; F84-S87 PolarHBondContact O-N 3.26Å; F84-I90 HydrophobicContact CD1-CG2 3.76Å; F84-I90 HydrophobicContact CD2-CD1 4.02Å; F84-I90 HydrophobicContact CD2-CG2 4.41Å; F84-I90 HydrophobicContact CE1-CG2 3.34Å; F84-I90 HydrophobicContact CE2-CD1 4.38Å; F84-I90 HydrophobicContact CE2-CG2 4.04Å; F84-I90 HydrophobicContact CG-CD1 4.13Å; F84-I90 HydrophobicContact CG-CG2 4.29Å; F84-I90 HydrophobicContact CZ-CG2 3.49Å; F84-I90 VanDerWaalsContact CZ-CG2 3.49Å; F84-M99 HydrophobicContact CE1-CE 4.26Å; F84-M99 HydrophobicContact CZ-CE 3.85Å; F84-V155 HydrophobicContact CD2-CG1 4.13Å; F84-V155 HydrophobicContact CD2-CG2 4.36Å; F84-V155 HydrophobicContact CE2-CG1 3.68Å
85	A	95	Very high	94.4	Very high	33 Å²	33	59.6 Å²	59.6	27%	0.273	32%	0.321	S	S	.	.	H	α-helix	trans	-63.9	-35.4	-177.3	0	0	0	0	0	113.4	K81 P82 S87	K81-A85 WeakPolarHBondContact O-CB 3.44Å; K81-A85 PolarHBondContact O-N 2.83Å; P82-A85 PolarHBondContact O-N 3.08Å; A85-S87 VanDerWaalsContact C-N 3.33Å
86	E	94.9	Very high	94.5	Very high	158 Å²	158	59.8 Å²	59.8	74%	0.738	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-14.3	-178.9	-69.7	171.4	-169.5	0	0	113.3	P82 F84 K88	P82-E86 VanDerWaalsContact O-CB 3.32Å; P82-E86 WeakPolarHBondContact O-CB 3.15Å; P82-E86 VanDerWaalsContact O-CG 3.26Å; P82-E86 WeakPolarHBondContact O-CG 3.48Å; P82-E86 PolarHBondContact O-N 2.67Å; F84-E86 VanDerWaalsContact C-N 3.34Å; F84-E86 PolarHBondContact O-N 2.78Å; E86-K88 PolarHBondContact O-N 3.21Å
87	S	95.7	Very high	94.8	Very high	22 Å²	22	58.1 Å²	58.1	15%	0.154	29%	0.294	C	S	.	.			trans	-79.1	110.1	-177.2	-179.5	0	0	0	0	111.7	F84 A85 E89 I90 S91	F84-S87 PolarHBondContact O-N 3.26Å; A85-S87 VanDerWaalsContact C-N 3.33Å; S87-E89 VanDerWaalsContact C-N 3.28Å; S87-E89 PolarHBondContact O-N 2.9Å; S87-I90 PolarHBondContact O-N 3.09Å; S87-I90 WeakPolarHBondContact OG-CG1 3.41Å; S87-I90 PolarHBondContact OG-N 2.96Å; S87-S91 PolarHBondContact O-N 3.24Å; S87-S91 VanDerWaalsContact O-N 3.09Å
88	K	95.1	Very high	95	Very high	168 Å²	168	58.4 Å²	58.4	73%	0.73	30%	0.295	S	S	*	.	H	α-helix	trans	-59.4	-40	173.3	-65.6	-175	179.5	-177.9	0	112.2	E86 I90 S91 E92	E86-K88 PolarHBondContact O-N 3.21Å; K88-I90 VanDerWaalsContact C-N 3.34Å; K88-I90 PolarHBondContact O-N 3.25Å; K88-S91 WeakPolarHBondContact O-CB 3.42Å; K88-S91 PolarHBondContact O-N 3.31Å; K88-S91 VanDerWaalsContact O-N 3.16Å; K88-E92 WeakPolarHBondContact O-CG 3.36Å; K88-E92 PolarHBondContact O-N 3.25Å
89	E	95.8	Very high	95.2	Very high	79 Å²	79	52.6 Å²	52.6	37%	0.369	27%	0.27	S	S	.	.	H	α-helix	trans	-66.1	-37.2	-179	-171.3	172.7	-166.3	0	0	111.8	S87 E92 L93 V156 K160	S87-E89 VanDerWaalsContact C-N 3.28Å; S87-E89 PolarHBondContact O-N 2.9Å; E89-E92 PolarHBondContact O-N 3.19Å; E89-L93 HydrophobicContact CG-CD1 4.29Å; E89-L93 WeakPolarHBondContact O-CB 3.34Å; E89-L93 WeakPolarHBondContact O-CG 3.42Å; E89-L93 PolarHBondContact O-N 2.87Å; E89-V156 HydrophobicContact CB-CG2 4.13Å; E89-V156 HydrophobicContact CG-CG1 3.94Å; E89-V156 HydrophobicContact CG-CG2 3.91Å; E89-V156 VanDerWaalsContact OE1-CG1 3.3Å; E89-V156 WeakPolarHBondContact OE1-CG1 3.23Å; E89-K160 WeakPolarHBondContact OE1-CE 3.28Å; E89-K160 IonicContact OE1-NZ 3.31Å; E89-K160 PolarHBondContact OE1-NZ 2.85Å
90	I	96.1	Very high	95.4	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.4	-43.8	172.5	-68.4	175.5	0	0	0	110.2	F84 S87 K88 E92 L93 A94 A152 V155 V156 M159	F84-I90 HydrophobicContact CD1-CG2 3.76Å; F84-I90 HydrophobicContact CD2-CD1 4.02Å; F84-I90 HydrophobicContact CD2-CG2 4.41Å; F84-I90 HydrophobicContact CE1-CG2 3.34Å; F84-I90 HydrophobicContact CE2-CD1 4.38Å; F84-I90 HydrophobicContact CE2-CG2 4.04Å; F84-I90 HydrophobicContact CG-CD1 4.13Å; F84-I90 HydrophobicContact CG-CG2 4.29Å; F84-I90 HydrophobicContact CZ-CG2 3.49Å; F84-I90 VanDerWaalsContact CZ-CG2 3.49Å; S87-I90 PolarHBondContact O-N 3.09Å; S87-I90 WeakPolarHBondContact OG-CG1 3.41Å; S87-I90 PolarHBondContact OG-N 2.96Å; K88-I90 VanDerWaalsContact C-N 3.34Å; K88-I90 PolarHBondContact O-N 3.25Å; I90-E92 VanDerWaalsContact C-N 3.31Å; I90-E92 PolarHBondContact O-N 3.07Å; I90-L93 PolarHBondContact O-N 2.86Å; I90-A94 WeakPolarHBondContact O-CB 3.3Å; I90-A94 PolarHBondContact O-N 3.28Å; I90-A152 HydrophobicContact CD1-CB 3.88Å; I90-V155 HydrophobicContact CD1-CB 3.95Å; I90-V155 HydrophobicContact CD1-CG1 3.89Å; I90-V155 HydrophobicContact CG1-CG1 4.31Å; I90-V156 HydrophobicContact CD1-CG2 4.43Å; I90-V156 HydrophobicContact CG1-CG2 3.62Å; I90-M159 HydrophobicContact CG1-SD 4.36Å; I90-M159 HydrophobicContact CG2-SD 4.1Å
91	S	94.7	Very high	95.4	Very high	25 Å²	25	50 Å²	50	18%	0.175	25%	0.249	C	C	.	.	H	α-helix	trans	-60	-41	176.4	-174.3	0	0	0	0	112.4	N45 S87 K88 A94 H95	N45-S91 PolarHBondContact ND2-OG 2.87Å; S87-S91 PolarHBondContact O-N 3.24Å; S87-S91 VanDerWaalsContact O-N 3.09Å; K88-S91 WeakPolarHBondContact O-CB 3.42Å; K88-S91 PolarHBondContact O-N 3.31Å; K88-S91 VanDerWaalsContact O-N 3.16Å; S91-A94 PolarHBondContact O-N 3.48Å; S91-H95 PolarHBondContact O-CD2 2.76Å
92	E	94.5	Very high	95.5	Very high	129 Å²	129	48.7 Å²	48.7	60%	0.603	24%	0.243	S	C	*	.	H	α-helix	trans	-66.3	-46	177.6	-74.7	171	-170.1	0	0	111.2	K88 E89 I90 A94 H95	K88-E92 WeakPolarHBondContact O-CG 3.36Å; K88-E92 PolarHBondContact O-N 3.25Å; E89-E92 PolarHBondContact O-N 3.19Å; I90-E92 VanDerWaalsContact C-N 3.31Å; I90-E92 PolarHBondContact O-N 3.07Å; E92-A94 VanDerWaalsContact C-N 3.31Å; E92-A94 PolarHBondContact O-N 3.23Å; E92-H95 PolarHBondContact O-N 2.95Å
93	L	94.9	Very high	95.5	Very high	18 Å²	18	47.8 Å²	47.8	9%	0.094	23%	0.234	C	C	.	.	H	α-helix	trans	-66	-34.8	177.2	-71.7	171.5	0	0	0	111.9	E89 I90 H95 N96 F97 V156 M159 K160	E89-L93 HydrophobicContact CG-CD1 4.29Å; E89-L93 WeakPolarHBondContact O-CB 3.34Å; E89-L93 WeakPolarHBondContact O-CG 3.42Å; E89-L93 PolarHBondContact O-N 2.87Å; I90-L93 PolarHBondContact O-N 2.86Å; L93-H95 PolarHBondContact O-N 2.84Å; L93-H95 VanDerWaalsContact O-N 3.09Å; L93-N96 WeakPolarHBondContact O-CB 3.33Å; L93-N96 PolarHBondContact O-N 2.95Å; L93-F97 VanDerWaalsContact O-CD2 3.29Å; L93-F97 WeakPolarHBondContact O-CD2 3.48Å; L93-V156 HydrophobicContact CD1-CB 4.48Å; L93-V156 HydrophobicContact CD1-CG1 4.04Å; L93-V156 HydrophobicContact CD1-CG2 4.46Å; L93-M159 HydrophobicContact CB-CB 4.46Å; L93-M159 HydrophobicContact CB-CE 3.49Å; L93-M159 VanDerWaalsContact CB-CE 3.49Å; L93-M159 HydrophobicContact CB-SD 4.06Å; L93-M159 HydrophobicContact CD1-CB 3.92Å; L93-M159 HydrophobicContact CD1-SD 4.32Å; L93-K160 HydrophobicContact CD1-CG 4.1Å; L93-K160 HydrophobicContact CD2-CG 4.43Å
94	A	94.8	Very high	95.4	Very high	9 Å²	9	45.2 Å²	45.2	7%	0.074	23%	0.225	C	C	.	.	H	α-helix	trans	-58.2	-23.8	-179.1	0	0	0	0	0	113.3	I46 I90 S91 E92 N96 F97 M99 M159	I46-A94 HydrophobicContact CD1-CB 4.22Å; I46-A94 HydrophobicContact CG1-CB 4.23Å; I46-A94 HydrophobicContact CG2-CB 4.23Å; I90-A94 WeakPolarHBondContact O-CB 3.3Å; I90-A94 PolarHBondContact O-N 3.28Å; S91-A94 PolarHBondContact O-N 3.48Å; E92-A94 VanDerWaalsContact C-N 3.31Å; E92-A94 PolarHBondContact O-N 3.23Å; A94-N96 PolarHBondContact O-N 2.87Å; A94-F97 PolarHBondContact O-N 3.35Å; A94-M99 HydrophobicContact CB-CE 3.99Å; A94-M99 HydrophobicContact CB-CG 4.01Å; A94-M99 HydrophobicContact CB-SD 3.92Å; A94-M159 HydrophobicContact CB-CE 4.45Å
95	H	92.7	Very high	95.2	Very high	139 Å²	139	53.9 Å²	53.9	64%	0.644	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.3	172.7	-67.5	-67.8	0	0	0	113.9	S91 E92 L93	S91-H95 PolarHBondContact O-CD2 2.76Å; E92-H95 PolarHBondContact O-N 2.95Å; L93-H95 PolarHBondContact O-N 2.84Å; L93-H95 VanDerWaalsContact O-N 3.09Å
96	N	95	Very high	95.1	Very high	59 Å²	59	56.5 Å²	56.5	32%	0.316	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	5.9	177.8	-56	-54.1	0	0	0	112.9	L93 A94 Q163	L93-N96 WeakPolarHBondContact O-CB 3.33Å; L93-N96 PolarHBondContact O-N 2.95Å; A94-N96 PolarHBondContact O-N 2.87Å; N96-Q163 PolarHBondContact ND2-NE2 3.07Å
97	F	96.7	Very high	95	Very high	8 Å²	8	51.2 Å²	51.2	4%	0.035	25%	0.247	C	C	.	.	S	Bend	trans	-133.6	152.7	-177.6	-68.8	-93.8	0	0	0	110.6	P64 M66 L93 A94 M99 F125 M159 A162 Q163	P64-F97 HydrophobicContact CB-CD1 3.94Å; P64-F97 HydrophobicContact CB-CE1 3.94Å; P64-F97 HydrophobicContact CG-CD1 3.52Å; P64-F97 HydrophobicContact CG-CE1 3.46Å; P64-F97 VanDerWaalsContact CG-CE1 3.46Å; P64-F97 HydrophobicContact CG-CG 4.31Å; P64-F97 HydrophobicContact CG-CZ 4.22Å; P64-F97 CarbonylContact O-C 3.57Å; P64-F97 VanDerWaalsContact O-CA 3.3Å; P64-F97 WeakPolarHBondContact O-CA 3.24Å; M66-F97 HydrophobicContact CB-CB 4.34Å; M66-F97 HydrophobicContact CB-CD1 4.16Å; M66-F97 HydrophobicContact CB-CG 4.42Å; L93-F97 VanDerWaalsContact O-CD2 3.29Å; L93-F97 WeakPolarHBondContact O-CD2 3.48Å; A94-F97 PolarHBondContact O-N 3.35Å; F97-M99 HydrophobicContact CB-SD 3.74Å; F97-F125 HydrophobicContact CD1-CD1 4.49Å; F97-F125 HydrophobicContact CE1-CD1 4.03Å; F97-F125 HydrophobicContact CE1-CE1 4.27Å; F97-M159 HydrophobicContact CD2-CE 3.95Å; F97-M159 HydrophobicContact CE2-CB 4.26Å; F97-M159 HydrophobicContact CE2-CE 4.23Å; F97-M159 HydrophobicContact CZ-CB 4.43Å; F97-M159 VanDerWaalsContact CZ-O 3.28Å; F97-M159 WeakPolarHBondContact CZ-O 3.17Å; F97-A162 HydrophobicContact CE1-CB 3.88Å; F97-A162 HydrophobicContact CZ-CB 4.03Å; F97-Q163 HydrophobicContact CE2-CB 4.25Å; F97-Q163 HydrophobicContact CZ-CB 3.89Å
98	I	97.1	Very high	94.8	Very high	7 Å²	7	51.4 Å²	51.4	4%	0.036	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	117.2	160.6	-51.5	-52.7	0	0	0	107.7	R49 E57 A58 L63 P64 V65 M66	R49-I98 HydrophobicContact CB-CG2 4.27Å; R49-I98 HydrophobicContact CG-CG2 3.93Å; E57-I98 HydrophobicContact CB-CD1 4.38Å; E57-I98 HydrophobicContact CG-CD1 3.7Å; E57-I98 HydrophobicContact CG-CG1 4.36Å; A58-I98 HydrophobicContact CB-CG1 4.13Å; L63-I98 HydrophobicContact CB-CD1 4.21Å; L63-I98 HydrophobicContact CB-CG1 4.15Å; L63-I98 HydrophobicContact CD1-CD1 4.09Å; P64-I98 PolarHBondContact O-N 3.21Å; V65-I98 CarbonylContact C-O 3.59Å; V65-I98 WeakPolarHBondContact CA-O 3.43Å; V65-I98 HydrophobicContact CG1-CB 4.4Å; V65-I98 VanDerWaalsContact CG1-O 3.3Å; V65-I98 WeakPolarHBondContact CG1-O 3.42Å; V65-I98 HydrophobicContact CG2-CB 4.23Å; M66-I98 PolarHBondContact N-O 2.84Å
99	M	97.4	Very high	94.7	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.015	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	122.9	-170.7	-58.9	-67.1	-70.3	0	0	110.5	I46 W48 R49 M66 F84 A94 F97 M159	I46-M99 HydrophobicContact CG2-CB 3.69Å; I46-M99 HydrophobicContact CG2-CE 4.22Å; I46-M99 HydrophobicContact CG2-CG 3.59Å; W48-M99 WeakPolarHBondContact CA-O 3.33Å; W48-M99 HydrophobicContact CD2-CB 4.45Å; W48-M99 HydrophobicContact CE3-CB 3.88Å; W48-M99 HydrophobicContact CH2-CE 4.19Å; W48-M99 HydrophobicContact CZ3-CB 4Å; W48-M99 HydrophobicContact CZ3-CE 4.36Å; R49-M99 PolarHBondContact N-O 2.97Å; M66-M99 HydrophobicContact CB-SD 3.9Å; M66-M99 HydrophobicContact CG-CE 4.5Å; M66-M99 HydrophobicContact CG-SD 4.42Å; M66-M99 HydrophobicContact SD-CE 3.63Å; M66-M99 HydrophobicContact SD-SD 3.91Å; F84-M99 HydrophobicContact CE1-CE 4.26Å; F84-M99 HydrophobicContact CZ-CE 3.85Å; A94-M99 HydrophobicContact CB-CE 3.99Å; A94-M99 HydrophobicContact CB-CG 4.01Å; A94-M99 HydrophobicContact CB-SD 3.92Å; F97-M99 HydrophobicContact CB-SD 3.74Å; M99-M159 HydrophobicContact SD-CE 4.49Å
100	V	97.3	Very high	94.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	131	-178.6	176.5	0	0	0	0	109.1	R49 L51 V65 M66 V67 I68 L102	R49-V100 HydrophobicContact CB-CG2 4.22Å; L51-V100 HydrophobicContact CB-CG1 4.34Å; L51-V100 HydrophobicContact CD1-CG1 4.4Å; V65-V100 HydrophobicContact CG1-CB 4.28Å; V65-V100 HydrophobicContact CG1-CG2 3.65Å; M66-V100 PolarHBondContact O-N 3.28Å; V67-V100 CarbonylContact C-O 3.57Å; V67-V100 WeakPolarHBondContact CA-O 3.29Å; V67-V100 HydrophobicContact CG1-CG1 4.43Å; V67-V100 HydrophobicContact CG2-CB 4.18Å; V67-V100 HydrophobicContact CG2-CG1 4.45Å; I68-V100 PolarHBondContact N-O 3.49Å; V100-L102 HydrophobicContact CG1-CD1 4.49Å; V100-L102 HydrophobicContact CG1-CD2 3.74Å; V100-L102 HydrophobicContact CG1-CG 3.98Å
101	N	95.9	Very high	94.3	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.011	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.3	169.3	73.2	90	0	0	0	109.5	N38 R40 W48 I68	N38-N101 PolarHBondContact O-ND2 3.08Å; N38-N101 PolarHBondContact O-OD1 2.9Å; R40-N101 VanDerWaalsContact CD-OD1 3.24Å; R40-N101 WeakPolarHBondContact CD-OD1 3.28Å; R40-N101 PolarHBondContact NH1-O 3.41Å; R40-N101 PolarHBondContact NH1-OD1 2.93Å; W48-N101 HydrophobicContact CE3-CB 3.88Å; W48-N101 HydrophobicContact CZ3-CB 3.81Å; I68-N101 HydrophobicContact CB-CB 4.44Å; I68-N101 CarbonylContact O-C 3.26Å; I68-N101 WeakPolarHBondContact O-CA 3.41Å
102	L	95.5	Very high	94.3	Very high	7 Å²	7	62.9 Å²	62.9	4%	0.037	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	115.3	-177.4	-55.3	177.3	0	0	0	108.2	L51 V67 I68 I69 H70 V100 E106 P108	L51-L102 HydrophobicContact CB-CD2 4.11Å; L51-L102 HydrophobicContact CD2-CD1 4.19Å; V67-L102 HydrophobicContact CG1-CD1 3.68Å; V67-L102 HydrophobicContact CG1-CG 4.16Å; I68-L102 PolarHBondContact O-N 2.9Å; I69-L102 HydrophobicContact CG1-CD1 4.43Å; H70-L102 PolarHBondContact N-O 2.68Å; V100-L102 HydrophobicContact CG1-CD1 4.49Å; V100-L102 HydrophobicContact CG1-CD2 3.74Å; V100-L102 HydrophobicContact CG1-CG 3.98Å; L102-E106 HydrophobicContact CB-CB 4.05Å; L102-E106 HydrophobicContact CD2-CB 4.17Å; L102-P108 HydrophobicContact CD1-CG 3.83Å
103	E	95.3	Very high	94.3	Very high	39 Å²	39	57 Å²	57	18%	0.182	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	138.8	-179.1	-169.4	168.6	-113.3	0	0	111	R40 H70 K81 E105 E106	R40-E103 WeakPolarHBondContact CD-OE2 3.3Å; R40-E103 VanDerWaalsContact CZ-CB 3.41Å; R40-E103 IonicContact NE-OE2 3.08Å; R40-E103 PolarHBondContact NE-OE2 2.83Å; H70-E103 VanDerWaalsContact CE1-CB 3.48Å; H70-E103 WeakPolarHBondContact CE1-CB 3.3Å; H70-E103 IonicContact CE1-OE1 2.67Å; H70-E103 PolarHBondContact CE1-OE1 3.15Å; H70-E103 IonicContact ND1-OE1 3.73Å; H70-E103 PolarHBondContact ND1-OE1 3.15Å; H70-E103 WeakPolarHBondContact O-CA 3.14Å; K81-E103 IonicContact NZ-OE1 3.61Å; E103-E105 PolarHBondContact O-N 3.23Å; E103-E105 VanDerWaalsContact O-N 3.09Å; E103-E106 PolarHBondContact N-OE2 2.81Å; E103-E106 WeakPolarHBondContact O-CB 3.34Å; E103-E106 WeakPolarHBondContact O-CG 3.28Å; E103-E106 PolarHBondContact O-N 3.42Å; E103-E106 VanDerWaalsContact O-N 3.08Å
104	D	93.3	Very high	94.3	Very high	44 Å²	44	57.9 Å²	57.9	24%	0.235	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	54	-116	170.5	-62.6	-22.5	0	0	0	112.1	H70 K71 S72 E106 E107	H70-D104 PolarHBondContact O-N 3.35Å; H70-D104 VanDerWaalsContact O-N 3.16Å; K71-D104 WeakPolarHBondContact CA-OD1 3.13Å; K71-D104 WeakPolarHBondContact CB-OD1 3.25Å; K71-D104 PolarHBondContact NZ-O 3.03Å; S72-D104 VanDerWaalsContact CB-OD2 3.23Å; S72-D104 WeakPolarHBondContact CB-OD2 3.44Å; S72-D104 PolarHBondContact N-OD1 2.97Å; S72-D104 PolarHBondContact OG-OD1 2.87Å; S72-D104 PolarHBondContact OG-OD2 3.19Å; D104-E106 PolarHBondContact O-N 2.87Å; D104-E107 PolarHBondContact O-N 2.85Å
105	E	91.9	Very high	94.2	Very high	183 Å²	183	60.1 Å²	60.1	86%	0.855	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-74.4	-5	-174.7	-59.9	-57.8	133.6	0	0	114.2	E103 E107	E103-E105 PolarHBondContact O-N 3.23Å; E103-E105 VanDerWaalsContact O-N 3.09Å; E105-E107 PolarHBondContact O-N 3.08Å
106	E	91.9	Very high	94.1	Very high	88 Å²	88	55.8 Å²	55.8	41%	0.411	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-78.1	-7.2	176.3	-62.1	175.9	157.4	0	0	113.3	R40 L102 E103 D104 P108	R40-E106 IonicContact CZ-OE1 3.11Å; R40-E106 IonicContact CZ-OE2 3.74Å; R40-E106 IonicContact NH1-OE1 3.38Å; R40-E106 IonicContact NH1-OE2 3.84Å; R40-E106 PolarHBondContact NH1-OE2 2.67Å; R40-E106 IonicContact NH2-OE1 3.31Å; R40-E106 PolarHBondContact NH2-OE1 3.29Å; R40-E106 IonicContact NH2-OE2 2.74Å; R40-E106 PolarHBondContact NH2-OE2 3.46Å; L102-E106 HydrophobicContact CB-CB 4.05Å; L102-E106 HydrophobicContact CD2-CB 4.17Å; E103-E106 PolarHBondContact N-OE2 2.81Å; E103-E106 WeakPolarHBondContact O-CB 3.34Å; E103-E106 WeakPolarHBondContact O-CG 3.28Å; E103-E106 PolarHBondContact O-N 3.42Å; E103-E106 VanDerWaalsContact O-N 3.08Å; D104-E106 PolarHBondContact O-N 2.87Å; E106-P108 WeakPolarHBondContact O-CD 3.39Å
107	E	93.1	Very high	94	Very high	46 Å²	46	54.5 Å²	54.5	22%	0.215	28%	0.284	C	S	.	.	S	Bend	trans	-61.1	122	174.2	-178.4	174.5	-172.3	0	0	110.7	I69 K71 D104 E105 R122	I69-E107 HydrophobicContact CG2-CB 4.15Å; I69-E107 HydrophobicContact CG2-CG 3.8Å; K71-E107 WeakPolarHBondContact CE-OE2 3.38Å; K71-E107 IonicContact NZ-OE2 2.64Å; K71-E107 PolarHBondContact NZ-OE2 2.89Å; D104-E107 PolarHBondContact O-N 2.85Å; E105-E107 PolarHBondContact O-N 3.08Å; E107-R122 IonicContact OE1-CZ 3.93Å; E107-R122 IonicContact OE1-NH1 2.78Å; E107-R122 PolarHBondContact OE1-NH1 2.99Å; E107-R122 IonicContact OE1-NH2 2.7Å; E107-R122 PolarHBondContact OE1-NH2 3.19Å
108	P	93	Very high	93.8	Very high	26 Å²	26	56.9 Å²	56.9	17%	0.169	31%	0.31	C	S	.	.			trans	-66.4	139.9	-179.4	-20.9	35.1	0	0	0	110.6	L51 L102 E106 D110 F113	L51-P108 HydrophobicContact CD2-CB 4.38Å; L51-P108 HydrophobicContact CD2-CG 3.46Å; L51-P108 VanDerWaalsContact CD2-CG 3.46Å; L102-P108 HydrophobicContact CD1-CG 3.83Å; E106-P108 WeakPolarHBondContact O-CD 3.39Å; P108-D110 PolarHBondContact O-N 3.45Å; P108-F113 HydrophobicContact CB-CD2 3.72Å; P108-F113 HydrophobicContact CB-CE2 3.99Å; P108-F113 HydrophobicContact CB-CG 4.08Å; P108-F113 HydrophobicContact CG-CD1 4.06Å; P108-F113 HydrophobicContact CG-CD2 3.98Å; P108-F113 HydrophobicContact CG-CE1 4.17Å; P108-F113 HydrophobicContact CG-CE2 4.09Å; P108-F113 HydrophobicContact CG-CG 3.96Å; P108-F113 HydrophobicContact CG-CZ 4.18Å
109	K	91.2	Very high	93.6	Very high	213 Å²	213	58.4 Å²	58.4	93%	0.926	32%	0.316	S	S	*	.	S	Bend	trans	-74.5	-5.5	176.7	-62.3	-177.3	-178	176	0	113.6
110	D	92.6	Very high	93.4	Very high	93 Å²	93	59.7 Å²	59.7	50%	0.497	32%	0.323	S	S	.	.	S	Bend	trans	-71	130.6	178.4	-176.9	-9.2	0	0	0	110.7	P108 A112 F113	P108-D110 PolarHBondContact O-N 3.45Å; D110-A112 PolarHBondContact O-N 2.83Å; D110-A112 WeakPolarHBondContact OD1-CB 3.49Å; D110-A112 PolarHBondContact OD1-N 2.66Å; D110-F113 HydrophobicContact CB-CD2 4Å; D110-F113 HydrophobicContact CB-CE2 4.36Å; D110-F113 PolarHBondContact O-N 2.91Å; D110-F113 VanDerWaalsContact O-N 3.07Å
111	Q	92.3	Very high	93.3	Very high	169 Å²	169	59.8 Å²	59.8	79%	0.79	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-62.1	-22.1	179.3	-65.2	-176.2	5.4	0	0	112.8	F113 S114	Q111-F113 PolarHBondContact O-N 3.22Å; Q111-F113 VanDerWaalsContact O-N 3.15Å; Q111-S114 CarbonylContact O-C 3.36Å; Q111-S114 PolarHBondContact O-N 2.69Å
112	A	93.9	Very high	93.3	Very high	39 Å²	39	59.7 Å²	59.7	32%	0.322	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-56.1	-28.2	173	0	0	0	0	0	112.7	D110 V132	D110-A112 PolarHBondContact O-N 2.83Å; D110-A112 WeakPolarHBondContact OD1-CB 3.49Å; D110-A112 PolarHBondContact OD1-N 2.66Å; A112-V132 HydrophobicContact CB-CB 4.38Å; A112-V132 HydrophobicContact CB-CG2 4.02Å; A112-V132 WeakPolarHBondContact O-CG1 3.46Å
113	F	94.3	Very high	93.4	Very high	5 Å²	5	59.4 Å²	59.4	2%	0.022	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-89.5	1.4	178.2	-66.4	-93.5	0	0	0	114.1	L51 V67 I69 P108 D110 Q111 P115 R122 L124 L126 V132	L51-F113 HydrophobicContact CD1-CE1 4.22Å; L51-F113 HydrophobicContact CD1-CZ 4.22Å; L51-F113 HydrophobicContact CD2-CE1 4.36Å; L51-F113 HydrophobicContact CD2-CZ 4.01Å; V67-F113 HydrophobicContact CG1-CE1 4.4Å; V67-F113 HydrophobicContact CG2-CE1 4.48Å; I69-F113 HydrophobicContact CD1-CB 3.93Å; I69-F113 HydrophobicContact CD1-CD1 4.16Å; P108-F113 HydrophobicContact CB-CD2 3.72Å; P108-F113 HydrophobicContact CB-CE2 3.99Å; P108-F113 HydrophobicContact CB-CG 4.08Å; P108-F113 HydrophobicContact CG-CD1 4.06Å; P108-F113 HydrophobicContact CG-CD2 3.98Å; P108-F113 HydrophobicContact CG-CE1 4.17Å; P108-F113 HydrophobicContact CG-CE2 4.09Å; P108-F113 HydrophobicContact CG-CG 3.96Å; P108-F113 HydrophobicContact CG-CZ 4.18Å; D110-F113 HydrophobicContact CB-CD2 4Å; D110-F113 HydrophobicContact CB-CE2 4.36Å; D110-F113 PolarHBondContact O-N 2.91Å; D110-F113 VanDerWaalsContact O-N 3.07Å; Q111-F113 PolarHBondContact O-N 3.22Å; Q111-F113 VanDerWaalsContact O-N 3.15Å; F113-P115 VanDerWaalsContact C-CD 3.49Å; F113-R122 PolarHBondContact O-NE 2.8Å; F113-R122 PolarHBondContact O-NH2 3.46Å; F113-L124 HydrophobicContact CB-CD1 4.14Å; F113-L124 HydrophobicContact CD1-CD1 4.09Å; F113-L124 HydrophobicContact CG-CD1 4.49Å; F113-L124 WeakPolarHBondContact O-CD1 3.4Å; F113-L126 HydrophobicContact CE1-CD1 4.45Å; F113-L126 HydrophobicContact CE1-CD2 4.31Å; F113-L126 HydrophobicContact CZ-CD2 4.25Å; F113-V132 HydrophobicContact CD1-CG2 4.49Å; F113-V132 HydrophobicContact CE1-CG2 4.32Å; F113-V132 HydrophobicContact CE2-CG2 4.44Å; F113-V132 HydrophobicContact CZ-CG2 4.3Å
114	S	94.6	Very high	93.5	Very high	37 Å²	37	57.6 Å²	57.6	26%	0.259	31%	0.313	S	S	.	.			trans	-137.9	52	177.1	-58.8	0	0	0	0	112.3	Q111 D116 G117 R122	Q111-S114 CarbonylContact O-C 3.36Å; Q111-S114 PolarHBondContact O-N 2.69Å; S114-D116 VanDerWaalsContact C-N 3.27Å; S114-D116 PolarHBondContact O-N 3.48Å; S114-G117 WeakPolarHBondContact CB-O 3.12Å; S114-G117 PolarHBondContact O-N 3.44Å; S114-R122 PolarHBondContact OG-NH2 3.09Å; S114-R122 VanDerWaalsContact OG-NH2 3.09Å
115	P	92.6	Very high	93.8	Very high	56 Å²	56	55.6 Å²	55.6	36%	0.364	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-21.5	-169.4	26.7	-36.4	0	0	0	114.9	F113 L124 P134 Y147	F113-P115 VanDerWaalsContact C-CD 3.49Å; P115-L124 HydrophobicContact CG-CD2 4.26Å; P115-P134 HydrophobicContact CB-CB 4.06Å; P115-P134 HydrophobicContact CG-CB 4.29Å; P115-Y147 HydrophobicContact CB-CE2 4.3Å; P115-Y147 HydrophobicContact CG-CD2 4.11Å; P115-Y147 HydrophobicContact CG-CE1 4.26Å; P115-Y147 HydrophobicContact CG-CE2 3.35Å; P115-Y147 VanDerWaalsContact CG-OH 3.25Å; P115-Y147 WeakPolarHBondContact CG-OH 3.45Å
116	D	92.3	Very high	94	Very high	48 Å²	48	46.9 Å²	46.9	26%	0.257	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	17.2	173.9	73.4	-19.2	0	0	0	113.1	S114 Y119 K146 Y147	S114-D116 VanDerWaalsContact C-N 3.27Å; S114-D116 PolarHBondContact O-N 3.48Å; D116-Y119 WeakPolarHBondContact OD1-CE1 3.39Å; D116-Y119 VanDerWaalsContact OD1-CZ 3.31Å; D116-Y119 PolarHBondContact OD1-OH 3.42Å; D116-Y119 PolarHBondContact OD2-OH 3.34Å; D116-K146 WeakPolarHBondContact OD2-CB 3.4Å; D116-K146 PolarHBondContact OD2-N 3.2Å; D116-Y147 HydrophobicContact CB-CE2 4.11Å; D116-Y147 VanDerWaalsContact CG-CE2 3.46Å; D116-Y147 WeakPolarHBondContact OD1-CD2 3.38Å; D116-Y147 VanDerWaalsContact OD1-CE2 3.3Å; D116-Y147 WeakPolarHBondContact OD1-CE2 3.34Å
117	G	91.6	Very high	94.1	Very high	31 Å²	31	44 Å²	44	32%	0.32	25%	0.249	S	C	.	.			trans	126.2	174.6	177.3	0	0	0	0	0	114.8	S114	S114-G117 WeakPolarHBondContact CB-O 3.12Å; S114-G117 PolarHBondContact O-N 3.44Å
118	G	91.9	Very high	94.2	Very high	58 Å²	58	43.1 Å²	43.1	60%	0.598	25%	0.247	S	C	*	.	S	Bend	trans	-98.8	26.4	-174.3	0	0	0	0	0	115.4	R122	G118-R122 VanDerWaalsContact C-NH1 3.31Å; G118-R122 PolarHBondContact O-NH1 3.02Å
119	Y	93.4	Very high	94.1	Very high	40 Å²	40	46.2 Å²	46.2	16%	0.157	27%	0.269	C	S	.	.			trans	-72.9	164.9	177	59.4	-93.9	0	0	0	111.5	D116 R122 Y145 K146 Y147 F148	D116-Y119 WeakPolarHBondContact OD1-CE1 3.39Å; D116-Y119 VanDerWaalsContact OD1-CZ 3.31Å; D116-Y119 PolarHBondContact OD1-OH 3.42Å; D116-Y119 PolarHBondContact OD2-OH 3.34Å; Y119-R122 HydrophobicContact CD2-CG 3.92Å; Y119-R122 HydrophobicContact CE2-CG 3.76Å; Y119-R122 WeakPolarHBondContact O-CD 3.37Å; Y119-R122 WeakPolarHBondContact O-CG 3.38Å; Y119-R122 PolarHBondContact O-NH1 3.18Å; Y119-Y145 AromaticContact CD1-CD1 3.6Å; Y119-Y145 HydrophobicContact CD1-CD1 3.6Å; Y119-Y145 HydrophobicContact CD1-CE1 4.16Å; Y119-Y145 HydrophobicContact CD2-CD1 4.08Å; Y119-Y145 AromaticContact CE1-CD1 3.75Å; Y119-Y145 HydrophobicContact CE1-CD1 3.75Å; Y119-Y145 HydrophobicContact CE2-CD1 4.23Å; Y119-Y145 AromaticContact CG-CD1 3.76Å; Y119-Y145 HydrophobicContact CG-CD1 3.76Å; Y119-Y145 HydrophobicContact CG-CE1 4.32Å; Y119-Y145 WeakPolarHBondContact OH-CA 3.34Å; Y119-K146 PolarHBondContact OH-N 2.65Å; Y119-Y147 WeakPolarHBondContact OH-CD2 3.41Å; Y119-Y147 PolarHBondContact OH-N 2.95Å; Y119-F148 HydrophobicContact CD2-CB 4.32Å; Y119-F148 HydrophobicContact CE2-CB 3.8Å
120	I	93.3	Very high	94.2	Very high	30 Å²	30	36.7 Å²	36.7	15%	0.154	23%	0.232	C	C	.	.	S	Bend	trans	-140.6	152.6	-175.8	53.8	176.5	0	0	0	111.9	K71 W73 C74	K71-I120 HydrophobicContact CB-CD1 3.59Å; K71-I120 HydrophobicContact CG-CD1 3.2Å; K71-I120 HydrophobicContact CG-CG1 4.5Å; K71-I120 HydrophobicContact CG-CG2 4.31Å; W73-I120 HydrophobicContact CH2-CD1 3.87Å; W73-I120 HydrophobicContact CZ2-CD1 4.06Å; W73-I120 HydrophobicContact CZ3-CD1 4.33Å; C74-I120 HydrophobicContact CB-CD1 3.63Å; C74-I120 HydrophobicContact CB-CG1 4.24Å
121	P	95.2	Very high	94.3	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.013	24%	0.236	C	C	.	.	S	Bend	cis	-71.5	158.6	-9.5	31.3	-33.6	0	0	0	112.2	I69 H70 C77 L80 F148	I69-P121 CarbonylContact O-C 3.6Å; I69-P121 VanDerWaalsContact O-CA 3.24Å; I69-P121 WeakPolarHBondContact O-CA 3.26Å; H70-P121 HydrophobicContact CB-CB 4.39Å; C77-P121 VanDerWaalsContact SG-CD 3.52Å; L80-P121 HydrophobicContact CD2-CG 4.05Å; P121-F148 HydrophobicContact CG-CD2 4.44Å; P121-F148 HydrophobicContact CG-CE2 4.37Å
122	R	96.8	Very high	94.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.6	170.7	-56.6	-173.8	-55.4	-86.4	5.5	110.1	I68 I69 E107 F113 S114 G118 Y119 Y147	I68-R122 WeakPolarHBondContact CA-O 3.07Å; I69-R122 PolarHBondContact N-O 3.03Å; I69-R122 PolarHBondContact O-N 2.96Å; E107-R122 IonicContact OE1-CZ 3.93Å; E107-R122 IonicContact OE1-NH1 2.78Å; E107-R122 PolarHBondContact OE1-NH1 2.99Å; E107-R122 IonicContact OE1-NH2 2.7Å; E107-R122 PolarHBondContact OE1-NH2 3.19Å; F113-R122 PolarHBondContact O-NE 2.8Å; F113-R122 PolarHBondContact O-NH2 3.46Å; S114-R122 PolarHBondContact OG-NH2 3.09Å; S114-R122 VanDerWaalsContact OG-NH2 3.09Å; G118-R122 VanDerWaalsContact C-NH1 3.31Å; G118-R122 PolarHBondContact O-NH1 3.02Å; Y119-R122 HydrophobicContact CD2-CG 3.92Å; Y119-R122 HydrophobicContact CE2-CG 3.76Å; Y119-R122 WeakPolarHBondContact O-CD 3.37Å; Y119-R122 WeakPolarHBondContact O-CG 3.38Å; Y119-R122 PolarHBondContact O-NH1 3.18Å; R122-Y147 WeakPolarHBondContact CA-O 3.47Å
123	I	97.7	Very high	94.5	Very high	1 Å²	1	31 Å²	31	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.1	171.8	-56.8	-179.3	0	0	0	108.1	M66 V67 I68 L80 F125 Y147 Y149 V155	M66-I123 HydrophobicContact CE-CD1 4.09Å; M66-I123 HydrophobicContact CE-CG2 3.52Å; M66-I123 HydrophobicContact CG-CG2 4.08Å; V67-I123 WeakPolarHBondContact O-CA 3.44Å; I68-I123 HydrophobicContact CG1-CG1 4.26Å; I68-I123 HydrophobicContact CG2-CG1 4.33Å; L80-I123 HydrophobicContact CD2-CD1 4.45Å; I123-F125 HydrophobicContact CG2-CE2 4.25Å; I123-F125 HydrophobicContact CG2-CZ 4.08Å; I123-Y147 PolarHBondContact N-O 3.11Å; I123-Y149 HydrophobicContact CB-CD2 3.65Å; I123-Y149 HydrophobicContact CB-CE2 3.7Å; I123-Y149 HydrophobicContact CD1-CD2 3.85Å; I123-Y149 HydrophobicContact CD1-CG 4Å; I123-Y149 HydrophobicContact CG1-CD2 3.88Å; I123-Y149 HydrophobicContact CG1-CE2 4.44Å; I123-Y149 HydrophobicContact CG2-CE2 4.41Å; I123-V155 HydrophobicContact CD1-CG1 4.29Å; I123-V155 HydrophobicContact CD1-CG2 3.75Å
124	L	97.7	Very high	94.5	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	150.7	-179.4	-65	169.4	0	0	0	109.6	V67 I69 F113 P115 L126 V132 Y147	V67-L124 PolarHBondContact N-O 2.76Å; V67-L124 PolarHBondContact O-N 2.86Å; I69-L124 HydrophobicContact CD1-CD1 4.24Å; F113-L124 HydrophobicContact CB-CD1 4.14Å; F113-L124 HydrophobicContact CD1-CD1 4.09Å; F113-L124 HydrophobicContact CG-CD1 4.49Å; F113-L124 WeakPolarHBondContact O-CD1 3.4Å; P115-L124 HydrophobicContact CG-CD2 4.26Å; L124-L126 HydrophobicContact CB-CD1 4.42Å; L124-V132 HydrophobicContact CB-CG1 4.47Å; L124-V132 HydrophobicContact CD2-CG1 4.3Å; L124-Y147 HydrophobicContact CD2-CD1 3.39Å; L124-Y147 HydrophobicContact CD2-CD2 4.34Å; L124-Y147 HydrophobicContact CD2-CE1 3.67Å; L124-Y147 HydrophobicContact CD2-CG 3.73Å
125	F	97.6	Very high	94.5	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133.3	176.1	-60.2	-82.3	0	0	0	109.3	V65 M66 F97 I123 H133 I136 M159 A162 L166	V65-F125 WeakPolarHBondContact O-CA 3.43Å; M66-F125 HydrophobicContact CB-CD1 4.17Å; M66-F125 HydrophobicContact CB-CE1 4.09Å; M66-F125 HydrophobicContact CG-CD1 4.16Å; M66-F125 HydrophobicContact CG-CE1 3.71Å; M66-F125 HydrophobicContact CG-CZ 4.43Å; M66-F125 HydrophobicContact SD-CE1 4.02Å; F97-F125 HydrophobicContact CD1-CD1 4.49Å; F97-F125 HydrophobicContact CE1-CD1 4.03Å; F97-F125 HydrophobicContact CE1-CE1 4.27Å; I123-F125 HydrophobicContact CG2-CE2 4.25Å; I123-F125 HydrophobicContact CG2-CZ 4.08Å; F125-H133 PolarHBondContact O-N 3.08Å; F125-I136 HydrophobicContact CB-CD1 4.1Å; F125-I136 HydrophobicContact CD2-CB 4.16Å; F125-I136 HydrophobicContact CD2-CG2 3.47Å; F125-I136 VanDerWaalsContact CD2-CG2 3.47Å; F125-I136 HydrophobicContact CE2-CG2 3.92Å; F125-I136 HydrophobicContact CG-CG2 4.28Å; F125-M159 HydrophobicContact CE1-CG 4.06Å; F125-M159 HydrophobicContact CZ-CG 4.14Å; F125-A162 HydrophobicContact CB-CB 3.92Å; F125-A162 HydrophobicContact CD1-CB 3.33Å; F125-A162 HydrophobicContact CD2-CB 3.98Å; F125-A162 HydrophobicContact CE1-CB 3.74Å; F125-A162 HydrophobicContact CE2-CB 4.34Å; F125-A162 HydrophobicContact CG-CB 3.45Å; F125-A162 VanDerWaalsContact CG-CB 3.45Å; F125-A162 HydrophobicContact CZ-CB 4.23Å; F125-L166 HydrophobicContact CB-CD1 3.86Å
126	L	96.6	Very high	94.7	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	146.1	175.9	-65.2	56.4	0	0	0	108.8	P64 V65 V67 F113 L124 G130 K131 V132	P64-L126 WeakPolarHBondContact CA-O 3.49Å; P64-L126 WeakPolarHBondContact CB-O 3.34Å; V65-L126 HydrophobicContact CB-CB 4.09Å; V65-L126 HydrophobicContact CG2-CB 4.5Å; V65-L126 PolarHBondContact N-O 3.03Å; V65-L126 PolarHBondContact O-N 3.22Å; V67-L126 HydrophobicContact CB-CD1 4.31Å; V67-L126 HydrophobicContact CG2-CD1 3.63Å; V67-L126 HydrophobicContact CG2-CD2 4.29Å; F113-L126 HydrophobicContact CE1-CD1 4.45Å; F113-L126 HydrophobicContact CE1-CD2 4.31Å; F113-L126 HydrophobicContact CZ-CD2 4.25Å; L124-L126 HydrophobicContact CB-CD1 4.42Å; L126-G130 WeakPolarHBondContact CD2-O 3.18Å; L126-K131 CarbonylContact C-O 3.53Å; L126-K131 WeakPolarHBondContact CA-O 3.32Å; L126-K131 WeakPolarHBondContact CB-O 3.42Å; L126-V132 HydrophobicContact CD1-CG2 3.95Å; L126-V132 HydrophobicContact CD2-CG2 4.44Å; L126-V132 HydrophobicContact CG-CG2 3.88Å
127	D	95.3	Very high	94.9	Very high	27 Å²	27	33 Å²	33	14%	0.144	20%	0.201	C	C	.	.			trans	-69.1	171.1	169.5	68.2	18.6	0	0	0	111.4	S129 G130 K131 H133 L166	D127-S129 PolarHBondContact O-N 3.34Å; D127-S129 VanDerWaalsContact O-N 3.08Å; D127-S129 VanDerWaalsContact OD1-CA 3.28Å; D127-S129 WeakPolarHBondContact OD1-CA 3.34Å; D127-S129 WeakPolarHBondContact OD1-CB 3.45Å; D127-S129 PolarHBondContact OD1-N 3.34Å; D127-S129 PolarHBondContact OD1-OG 2.97Å; D127-S129 PolarHBondContact OD2-OG 2.85Å; D127-S129 VanDerWaalsContact OD2-OG 3.13Å; D127-G130 PolarHBondContact O-N 2.63Å; D127-G130 PolarHBondContact OD1-N 3.4Å; D127-G130 VanDerWaalsContact OD1-N 3.08Å; D127-K131 PolarHBondContact N-O 2.89Å; D127-K131 WeakPolarHBondContact OD1-CB 3.4Å; D127-K131 PolarHBondContact OD1-N 2.94Å; D127-H133 WeakPolarHBondContact CB-NE2 3.22Å; D127-H133 IonicContact OD2-NE2 2.68Å; D127-H133 PolarHBondContact OD2-NE2 3.07Å; D127-L166 HydrophobicContact CB-CD2 4.27Å
128	P	93.9	Very high	95.1	Very high	29 Å²	29	32 Å²	32	19%	0.188	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-16.4	176	-26.5	36.6	0	0	0	114.8	A58 E59 G62 G130	A58-P128 CarbonylContact C-O 3.48Å; E59-P128 VanDerWaalsContact CA-O 3.3Å; E59-P128 WeakPolarHBondContact CA-O 3.12Å; E59-P128 PolarHBondContact N-O 3.4Å; G62-P128 VanDerWaalsContact O-CG 3.26Å; G62-P128 WeakPolarHBondContact O-CG 3.02Å; P128-G130 VanDerWaalsContact C-N 3.27Å
129	S	92	Very high	95.2	Very high	90 Å²	90	35.7 Å²	35.7	63%	0.629	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-2.1	173.8	80.1	0	0	0	0	113.2	D127	D127-S129 PolarHBondContact O-N 3.34Å; D127-S129 VanDerWaalsContact O-N 3.08Å; D127-S129 VanDerWaalsContact OD1-CA 3.28Å; D127-S129 WeakPolarHBondContact OD1-CA 3.34Å; D127-S129 WeakPolarHBondContact OD1-CB 3.45Å; D127-S129 PolarHBondContact OD1-N 3.34Å; D127-S129 PolarHBondContact OD1-OG 2.97Å; D127-S129 PolarHBondContact OD2-OG 2.85Å; D127-S129 VanDerWaalsContact OD2-OG 3.13Å
130	G	92.1	Very high	95.2	Very high	13 Å²	13	38.9 Å²	38.9	13%	0.134	21%	0.207	C	C	.	.	S	Bend	trans	80.9	15.3	-178.5	0	0	0	0	0	114	L126 D127 P128	L126-G130 WeakPolarHBondContact CD2-O 3.18Å; D127-G130 PolarHBondContact O-N 2.63Å; D127-G130 PolarHBondContact OD1-N 3.4Å; D127-G130 VanDerWaalsContact OD1-N 3.08Å; P128-G130 VanDerWaalsContact C-N 3.27Å
131	K	94.4	Very high	95.1	Very high	134 Å²	134	38.8 Å²	38.8	58%	0.583	21%	0.213	S	C	*	.			trans	-88.7	133.7	177.4	-177.4	-174.5	173.9	-170.3	0	110.6	L126 D127 H133	L126-K131 CarbonylContact C-O 3.53Å; L126-K131 WeakPolarHBondContact CA-O 3.32Å; L126-K131 WeakPolarHBondContact CB-O 3.42Å; D127-K131 PolarHBondContact N-O 2.89Å; D127-K131 WeakPolarHBondContact OD1-CB 3.4Å; D127-K131 PolarHBondContact OD1-N 2.94Å; K131-H133 PolarHBondContact O-CD2 3.1Å; K131-H133 VanDerWaalsContact O-CD2 3.3Å
132	V	95.9	Very high	95	Very high	17 Å²	17	42.1 Å²	42.1	10%	0.103	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-72.2	136.4	177	-176.8	0	0	0	0	111.1	A112 F113 L124 L126 P134	A112-V132 HydrophobicContact CB-CB 4.38Å; A112-V132 HydrophobicContact CB-CG2 4.02Å; A112-V132 WeakPolarHBondContact O-CG1 3.46Å; F113-V132 HydrophobicContact CD1-CG2 4.49Å; F113-V132 HydrophobicContact CE1-CG2 4.32Å; F113-V132 HydrophobicContact CE2-CG2 4.44Å; F113-V132 HydrophobicContact CZ-CG2 4.3Å; L124-V132 HydrophobicContact CB-CG1 4.47Å; L124-V132 HydrophobicContact CD2-CG1 4.3Å; L126-V132 HydrophobicContact CD1-CG2 3.95Å; L126-V132 HydrophobicContact CD2-CG2 4.44Å; L126-V132 HydrophobicContact CG-CG2 3.88Å; V132-P134 WeakPolarHBondContact O-CD 3.41Å
133	H	96	Very high	94.8	Very high	32 Å²	32	47.3 Å²	47.3	15%	0.148	27%	0.265	C	S	.	.			trans	-108.3	85.2	176.2	-80.9	-95.6	0	0	0	111.6	F125 D127 K131 E135 I136 L166	F125-H133 PolarHBondContact O-N 3.08Å; D127-H133 WeakPolarHBondContact CB-NE2 3.22Å; D127-H133 IonicContact OD2-NE2 2.68Å; D127-H133 PolarHBondContact OD2-NE2 3.07Å; K131-H133 PolarHBondContact O-CD2 3.1Å; K131-H133 VanDerWaalsContact O-CD2 3.3Å; H133-E135 WeakPolarHBondContact CA-OE2 3.42Å; H133-E135 IonicContact CE1-OE1 3.21Å; H133-E135 IonicContact CG-OE1 3.77Å; H133-E135 IonicContact ND1-OE1 3.8Å; H133-E135 PolarHBondContact ND1-OE1 3.25Å; H133-E135 IonicContact ND1-OE2 2.72Å; H133-E135 PolarHBondContact O-N 3.22Å; H133-E135 VanDerWaalsContact O-N 3.15Å; H133-I136 HydrophobicContact CB-CD1 3.85Å; H133-I136 HydrophobicContact CB-CG1 4.34Å; H133-I136 PolarHBondContact O-N 3.15Å; H133-I136 VanDerWaalsContact O-N 3.15Å; H133-L166 HydrophobicContact CB-CD2 4.21Å
134	P	94.5	Very high	94.6	Very high	59 Å²	59	51.2 Å²	51.2	38%	0.383	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-11.6	-175.1	29.5	-36.9	0	0	0	114.1	P115 V132 I136 T137 Y147	P115-P134 HydrophobicContact CB-CB 4.06Å; P115-P134 HydrophobicContact CG-CB 4.29Å; V132-P134 WeakPolarHBondContact O-CD 3.41Å; P134-I136 VanDerWaalsContact C-N 3.25Å; P134-I136 PolarHBondContact O-N 3.09Å; P134-T137 VanDerWaalsContact O-CG2 3.28Å; P134-T137 WeakPolarHBondContact O-CG2 3.19Å; P134-Y147 VanDerWaalsContact CA-OH 3.31Å; P134-Y147 WeakPolarHBondContact CA-OH 3.28Å; P134-Y147 WeakPolarHBondContact CB-OH 3.41Å; P134-Y147 PolarHBondContact O-OH 2.86Å
135	E	94.5	Very high	94.4	Very high	99 Å²	99	56.6 Å²	56.6	46%	0.463	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-15	173.8	72.6	-82.1	-164.6	0	0	113.5	H133	H133-E135 WeakPolarHBondContact CA-OE2 3.42Å; H133-E135 IonicContact CE1-OE1 3.21Å; H133-E135 IonicContact CG-OE1 3.77Å; H133-E135 IonicContact ND1-OE1 3.8Å; H133-E135 PolarHBondContact ND1-OE1 3.25Å; H133-E135 IonicContact ND1-OE2 2.72Å; H133-E135 PolarHBondContact O-N 3.22Å; H133-E135 VanDerWaalsContact O-N 3.15Å
136	I	95.7	Very high	94.4	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	33%	0.333	C	S	.	.			trans	-90.4	105.3	174.7	-56.4	165.8	0	0	0	108.1	F125 H133 P134 E161 A162 K165 L166	F125-I136 HydrophobicContact CB-CD1 4.1Å; F125-I136 HydrophobicContact CD2-CB 4.16Å; F125-I136 HydrophobicContact CD2-CG2 3.47Å; F125-I136 VanDerWaalsContact CD2-CG2 3.47Å; F125-I136 HydrophobicContact CE2-CG2 3.92Å; F125-I136 HydrophobicContact CG-CG2 4.28Å; H133-I136 HydrophobicContact CB-CD1 3.85Å; H133-I136 HydrophobicContact CB-CG1 4.34Å; H133-I136 PolarHBondContact O-N 3.15Å; H133-I136 VanDerWaalsContact O-N 3.15Å; P134-I136 VanDerWaalsContact C-N 3.25Å; P134-I136 PolarHBondContact O-N 3.09Å; I136-E161 HydrophobicContact CG2-CG 4.23Å; I136-A162 HydrophobicContact CD1-CB 4.11Å; I136-A162 HydrophobicContact CG2-CB 4.26Å; I136-K165 HydrophobicContact CD1-CD 4.4Å; I136-K165 HydrophobicContact CG1-CD 4.01Å; I136-L166 HydrophobicContact CD1-CD1 3.77Å; I136-L166 HydrophobicContact CD1-CD2 4.01Å; I136-L166 HydrophobicContact CD1-CG 3.86Å
137	T	96.4	Very high	94.4	Very high	29 Å²	29	61.6 Å²	61.6	18%	0.178	34%	0.335	C	S	.	.			trans	-131.6	163.6	-171.5	65.2	0	0	0	0	111.7	P134 K139 K146 Y147	P134-T137 VanDerWaalsContact O-CG2 3.28Å; P134-T137 WeakPolarHBondContact O-CG2 3.19Å; T137-K139 PolarHBondContact O-N 2.89Å; T137-K146 WeakPolarHBondContact CB-O 3.3Å; T137-K146 HydrophobicContact CG2-CB 3.84Å; T137-K146 HydrophobicContact CG2-CD 4.27Å; T137-Y147 HydrophobicContact CG2-CE1 3.87Å
138	N	96.4	Very high	94.5	Very high	9 Å²	9	63 Å²	63	5%	0.048	34%	0.34	C	S	.	.			trans	-70.9	88.4	171.2	-172.4	3.2	0	0	0	111.5	N140 G141 K146 F148 Y149 Q154	N138-N140 PolarHBondContact O-N 2.64Å; N138-N140 PolarHBondContact OD1-N 2.84Å; N138-G141 WeakPolarHBondContact ND2-CA 3.34Å; N138-G141 PolarHBondContact O-N 2.74Å; N138-G141 VanDerWaalsContact O-N 3.08Å; N138-G141 PolarHBondContact OD1-N 3.3Å; N138-G141 VanDerWaalsContact OD1-N 3.15Å; N138-K146 WeakPolarHBondContact CB-O 3.36Å; N138-K146 PolarHBondContact N-O 3.16Å; N138-F148 PolarHBondContact ND2-O 3.37Å; N138-Y149 HydrophobicContact CB-CD1 3.9Å; N138-Y149 HydrophobicContact CB-CD2 4.38Å; N138-Y149 HydrophobicContact CB-CE1 3.53Å; N138-Y149 HydrophobicContact CB-CE2 4.03Å; N138-Y149 HydrophobicContact CB-CG 4.31Å; N138-Y149 PolarHBondContact N-OH 2.82Å; N138-Q154 VanDerWaalsContact ND2-CD 3.35Å; N138-Q154 PolarHBondContact ND2-OE1 3.31Å; N138-Q154 VanDerWaalsContact ND2-OE1 3.11Å
139	K	94.1	Very high	94.6	Very high	135 Å²	135	61.8 Å²	61.8	59%	0.587	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-25.6	178.1	-68.8	175.2	179	157	0	114	T137 E161	T137-K139 PolarHBondContact O-N 2.89Å; K139-E161 WeakPolarHBondContact CE-OE1 3.46Å; K139-E161 WeakPolarHBondContact CE-OE2 3.48Å; K139-E161 IonicContact NZ-OE1 3.41Å; K139-E161 PolarHBondContact NZ-OE1 2.84Å; K139-E161 IonicContact NZ-OE2 3.14Å; K139-E161 PolarHBondContact NZ-OE2 2.93Å
140	N	92.3	Very high	94.7	Very high	108 Å²	108	60 Å²	60	58%	0.578	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	12.1	-179.8	-60	-39.8	0	0	0	112.1	N138 Q154	N138-N140 PolarHBondContact O-N 2.64Å; N138-N140 PolarHBondContact OD1-N 2.84Å; N140-Q154 HydrophobicContact CB-CG 4.27Å; N140-Q154 PolarHBondContact O-NE2 3.3Å
141	G	92.9	Very high	94.9	Very high	27 Å²	27	60.4 Å²	60.4	28%	0.278	32%	0.32	S	S	.	.	S	Bend	trans	-104.1	-161	-177.8	0	0	0	0	0	113.5	N138	N138-G141 WeakPolarHBondContact ND2-CA 3.34Å; N138-G141 PolarHBondContact O-N 2.74Å; N138-G141 VanDerWaalsContact O-N 3.08Å; N138-G141 PolarHBondContact OD1-N 3.3Å; N138-G141 VanDerWaalsContact OD1-N 3.15Å
142	N	91.8	Very high	94.9	Very high	73 Å²	73	54.5 Å²	54.5	39%	0.39	30%	0.296	S	S	.	.			trans	-80.9	125.7	174	-174.2	-36	0	0	0	109.5	S144 Y145	N142-S144 PolarHBondContact O-N 3.31Å; N142-S144 VanDerWaalsContact O-N 3.1Å; N142-S144 WeakPolarHBondContact OD1-CB 3.24Å; N142-S144 PolarHBondContact OD1-N 3.34Å; N142-S144 PolarHBondContact OD1-OG 3.43Å; N142-Y145 HydrophobicContact CB-CD2 4.07Å; N142-Y145 CarbonylContact O-C 3.59Å; N142-Y145 VanDerWaalsContact O-C 3.26Å; N142-Y145 PolarHBondContact O-N 2.85Å
143	P	92.4	Very high	94.9	Very high	108 Å²	108	60 Å²	60	70%	0.701	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-17.9	-178.6	26.1	-35.5	0	0	0	114.1
144	S	93.5	Very high	95	Very high	84 Å²	84	59.7 Å²	59.7	59%	0.587	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-15.4	174.7	-50.3	0	0	0	0	113.2	N142	N142-S144 PolarHBondContact O-N 3.31Å; N142-S144 VanDerWaalsContact O-N 3.1Å; N142-S144 WeakPolarHBondContact OD1-CB 3.24Å; N142-S144 PolarHBondContact OD1-N 3.34Å; N142-S144 PolarHBondContact OD1-OG 3.43Å
145	Y	94.8	Very high	95.1	Very high	113 Å²	113	56.9 Å²	56.9	44%	0.443	30%	0.301	S	S	.	.	S	Bend	trans	-131.7	73.3	-178.9	-57.3	-72.2	0	0	0	108.9	Y119 N142 Y147 F148	Y119-Y145 AromaticContact CD1-CD1 3.6Å; Y119-Y145 HydrophobicContact CD1-CD1 3.6Å; Y119-Y145 HydrophobicContact CD1-CE1 4.16Å; Y119-Y145 HydrophobicContact CD2-CD1 4.08Å; Y119-Y145 AromaticContact CE1-CD1 3.75Å; Y119-Y145 HydrophobicContact CE1-CD1 3.75Å; Y119-Y145 HydrophobicContact CE2-CD1 4.23Å; Y119-Y145 AromaticContact CG-CD1 3.76Å; Y119-Y145 HydrophobicContact CG-CD1 3.76Å; Y119-Y145 HydrophobicContact CG-CE1 4.32Å; Y119-Y145 WeakPolarHBondContact OH-CA 3.34Å; N142-Y145 HydrophobicContact CB-CD2 4.07Å; N142-Y145 CarbonylContact O-C 3.59Å; N142-Y145 VanDerWaalsContact O-C 3.26Å; N142-Y145 PolarHBondContact O-N 2.85Å; Y145-Y147 PolarHBondContact O-N 2.93Å; Y145-F148 PolarHBondContact O-N 3.38Å
146	K	96.6	Very high	95.3	Very high	99 Å²	99	52.6 Å²	52.6	43%	0.43	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.4	-165.3	-65.3	178.1	-178.8	176.8	0	113.8	D116 Y119 T137 N138	D116-K146 WeakPolarHBondContact OD2-CB 3.4Å; D116-K146 PolarHBondContact OD2-N 3.2Å; Y119-K146 PolarHBondContact OH-N 2.65Å; T137-K146 WeakPolarHBondContact CB-O 3.3Å; T137-K146 HydrophobicContact CG2-CB 3.84Å; T137-K146 HydrophobicContact CG2-CD 4.27Å; N138-K146 WeakPolarHBondContact CB-O 3.36Å; N138-K146 PolarHBondContact N-O 3.16Å
147	Y	97.1	Very high	95.3	Very high	7 Å²	7	54.6 Å²	54.6	3%	0.027	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	9.6	-177.9	-47.7	-80.4	0	0	0	112.5	P115 D116 Y119 R122 I123 L124 P134 T137 Y145 Y149	P115-Y147 HydrophobicContact CB-CE2 4.3Å; P115-Y147 HydrophobicContact CG-CD2 4.11Å; P115-Y147 HydrophobicContact CG-CE1 4.26Å; P115-Y147 HydrophobicContact CG-CE2 3.35Å; P115-Y147 VanDerWaalsContact CG-OH 3.25Å; P115-Y147 WeakPolarHBondContact CG-OH 3.45Å; D116-Y147 HydrophobicContact CB-CE2 4.11Å; D116-Y147 VanDerWaalsContact CG-CE2 3.46Å; D116-Y147 WeakPolarHBondContact OD1-CD2 3.38Å; D116-Y147 VanDerWaalsContact OD1-CE2 3.3Å; D116-Y147 WeakPolarHBondContact OD1-CE2 3.34Å; Y119-Y147 WeakPolarHBondContact OH-CD2 3.41Å; Y119-Y147 PolarHBondContact OH-N 2.95Å; R122-Y147 WeakPolarHBondContact CA-O 3.47Å; I123-Y147 PolarHBondContact N-O 3.11Å; L124-Y147 HydrophobicContact CD2-CD1 3.39Å; L124-Y147 HydrophobicContact CD2-CD2 4.34Å; L124-Y147 HydrophobicContact CD2-CE1 3.67Å; L124-Y147 HydrophobicContact CD2-CG 3.73Å; P134-Y147 VanDerWaalsContact CA-OH 3.31Å; P134-Y147 WeakPolarHBondContact CA-OH 3.28Å; P134-Y147 WeakPolarHBondContact CB-OH 3.41Å; P134-Y147 PolarHBondContact O-OH 2.86Å; T137-Y147 HydrophobicContact CG2-CE1 3.87Å; Y145-Y147 PolarHBondContact O-N 2.93Å; Y147-Y149 WeakPolarHBondContact O-CD2 3.24Å; Y147-Y149 WeakPolarHBondContact O-CE2 3.13Å
148	F	97.2	Very high	95.4	Very high	57 Å²	57	53.3 Å²	53.3	25%	0.25	29%	0.288	C	S	.	.			trans	-87	122.2	175.2	179.5	-96.5	0	0	0	110.1	A76 Y119 P121 N138 Y145	A76-F148 HydrophobicContact CB-CE2 3.9Å; A76-F148 HydrophobicContact CB-CZ 4.13Å; Y119-F148 HydrophobicContact CD2-CB 4.32Å; Y119-F148 HydrophobicContact CE2-CB 3.8Å; P121-F148 HydrophobicContact CG-CD2 4.44Å; P121-F148 HydrophobicContact CG-CE2 4.37Å; N138-F148 PolarHBondContact ND2-O 3.37Å; Y145-F148 PolarHBondContact O-N 3.38Å
149	Y	96.7	Very high	95.4	Very high	3 Å²	3	52.9 Å²	52.9	1%	0.012	29%	0.286	C	S	.	.			trans	-117.2	129.8	178	-63.4	-102.8	0	0	0	109.4	L80 I123 N138 Y147 Q154 V155	L80-Y149 WeakPolarHBondContact CD2-O 3.47Å; I123-Y149 HydrophobicContact CB-CD2 3.65Å; I123-Y149 HydrophobicContact CB-CE2 3.7Å; I123-Y149 HydrophobicContact CD1-CD2 3.85Å; I123-Y149 HydrophobicContact CD1-CG 4Å; I123-Y149 HydrophobicContact CG1-CD2 3.88Å; I123-Y149 HydrophobicContact CG1-CE2 4.44Å; I123-Y149 HydrophobicContact CG2-CE2 4.41Å; N138-Y149 HydrophobicContact CB-CD1 3.9Å; N138-Y149 HydrophobicContact CB-CD2 4.38Å; N138-Y149 HydrophobicContact CB-CE1 3.53Å; N138-Y149 HydrophobicContact CB-CE2 4.03Å; N138-Y149 HydrophobicContact CB-CG 4.31Å; N138-Y149 PolarHBondContact N-OH 2.82Å; Y147-Y149 WeakPolarHBondContact O-CD2 3.24Å; Y147-Y149 WeakPolarHBondContact O-CE2 3.13Å; Y149-Q154 VanDerWaalsContact CD1-C 3.44Å; Y149-Q154 HydrophobicContact CD1-CB 3.75Å; Y149-Q154 WeakPolarHBondContact CD1-O 3.48Å; Y149-Q154 VanDerWaalsContact CE1-O 3.28Å; Y149-Q154 WeakPolarHBondContact CE1-O 3.42Å; Y149-V155 HydrophobicContact CD1-CG2 4.1Å; Y149-V155 HydrophobicContact CG-CG2 4.1Å
150	S	94.1	Very high	95.5	Very high	52 Å²	52	51.2 Å²	51.2	36%	0.364	28%	0.279	S	S	.	.			trans	-114.6	-10.8	-172.4	62.9	0	0	0	0	114.2	K83 Q154	K83-S150 PolarHBondContact NZ-O 2.97Å; S150-Q154 PolarHBondContact OG-OE1 3.46Å
151	S	95.3	Very high	95.7	Very high	23 Å²	23	46.9 Å²	46.9	16%	0.161	26%	0.255	C	S	.	.	S	Bend	trans	-142.5	159.8	-179.8	88.1	0	0	0	0	111.2	E153 Q154 V155	S151-E153 VanDerWaalsContact C-N 3.3Å; S151-E153 WeakPolarHBondContact CB-OE2 3.49Å; S151-E153 PolarHBondContact O-N 3.16Å; S151-E153 PolarHBondContact OG-OE2 3.09Å; S151-Q154 PolarHBondContact O-N 2.86Å; S151-Q154 PolarHBondContact OG-N 3.43Å; S151-V155 WeakPolarHBondContact O-CG2 3.34Å; S151-V155 PolarHBondContact O-N 3.4Å
152	A	95.2	Very high	95.8	Very high	10 Å²	10	45.6 Å²	45.6	8%	0.083	24%	0.242	C	C	.	.	H	α-helix	trans	-64.1	-36.8	179.7	0	0	0	0	0	111.8	I90 Q154 V155 V156	I90-A152 HydrophobicContact CD1-CB 3.88Å; A152-Q154 VanDerWaalsContact C-N 3.32Å; A152-Q154 PolarHBondContact O-N 2.91Å; A152-V155 WeakPolarHBondContact O-CB 3.47Å; A152-V155 PolarHBondContact O-N 2.75Å; A152-V155 VanDerWaalsContact O-N 3.1Å; A152-V156 WeakPolarHBondContact O-CG2 3.38Å; A152-V156 PolarHBondContact O-N 3.11Å
153	E	96.6	Very high	95.9	Very high	133 Å²	133	44.7 Å²	44.7	62%	0.621	24%	0.235	S	C	*	.	H	α-helix	trans	-64.8	-38	-178.6	-54.4	73.7	-159.2	0	0	111.5	S151 V155 S157	S151-E153 VanDerWaalsContact C-N 3.3Å; S151-E153 WeakPolarHBondContact CB-OE2 3.49Å; S151-E153 PolarHBondContact O-N 3.16Å; S151-E153 PolarHBondContact OG-OE2 3.09Å; E153-V155 VanDerWaalsContact C-N 3.34Å; E153-S157 WeakPolarHBondContact O-CB 3.37Å; E153-S157 PolarHBondContact O-N 2.96Å
154	Q	97.1	Very high	95.9	Very high	25 Å²	25	47 Å²	47	12%	0.117	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-44.2	173.6	-68.2	178	-17.7	0	0	110.4	N138 N140 Y149 S150 S151 A152 S157 G158	N138-Q154 VanDerWaalsContact ND2-CD 3.35Å; N138-Q154 PolarHBondContact ND2-OE1 3.31Å; N138-Q154 VanDerWaalsContact ND2-OE1 3.11Å; N140-Q154 HydrophobicContact CB-CG 4.27Å; N140-Q154 PolarHBondContact O-NE2 3.3Å; Y149-Q154 VanDerWaalsContact CD1-C 3.44Å; Y149-Q154 HydrophobicContact CD1-CB 3.75Å; Y149-Q154 WeakPolarHBondContact CD1-O 3.48Å; Y149-Q154 VanDerWaalsContact CE1-O 3.28Å; Y149-Q154 WeakPolarHBondContact CE1-O 3.42Å; S150-Q154 PolarHBondContact OG-OE1 3.46Å; S151-Q154 PolarHBondContact O-N 2.86Å; S151-Q154 PolarHBondContact OG-N 3.43Å; A152-Q154 VanDerWaalsContact C-N 3.32Å; A152-Q154 PolarHBondContact O-N 2.91Å; Q154-S157 PolarHBondContact O-N 3.1Å; Q154-G158 PolarHBondContact O-N 3.41Å
155	V	97.2	Very high	95.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-49.3	178.6	177.2	0	0	0	0	110.4	M66 L80 F84 I90 I123 Y149 S151 A152 E153 S157 G158 M159	M66-V155 HydrophobicContact CE-CG1 3.59Å; L80-V155 HydrophobicContact CD1-CG2 4.47Å; F84-V155 HydrophobicContact CD2-CG1 4.13Å; F84-V155 HydrophobicContact CD2-CG2 4.36Å; F84-V155 HydrophobicContact CE2-CG1 3.68Å; I90-V155 HydrophobicContact CD1-CB 3.95Å; I90-V155 HydrophobicContact CD1-CG1 3.89Å; I90-V155 HydrophobicContact CG1-CG1 4.31Å; I123-V155 HydrophobicContact CD1-CG1 4.29Å; I123-V155 HydrophobicContact CD1-CG2 3.75Å; Y149-V155 HydrophobicContact CD1-CG2 4.1Å; Y149-V155 HydrophobicContact CG-CG2 4.1Å; S151-V155 WeakPolarHBondContact O-CG2 3.34Å; S151-V155 PolarHBondContact O-N 3.4Å; A152-V155 WeakPolarHBondContact O-CB 3.47Å; A152-V155 PolarHBondContact O-N 2.75Å; A152-V155 VanDerWaalsContact O-N 3.1Å; E153-V155 VanDerWaalsContact C-N 3.34Å; V155-S157 VanDerWaalsContact C-N 3.29Å; V155-S157 PolarHBondContact O-N 3.36Å; V155-G158 CarbonylContact O-C 3.56Å; V155-G158 WeakPolarHBondContact O-CA 3.34Å; V155-G158 PolarHBondContact O-N 3.44Å; V155-M159 HydrophobicContact CG1-CG 4.2Å; V155-M159 HydrophobicContact CG1-SD 3.94Å; V155-M159 WeakPolarHBondContact O-CG 3.36Å; V155-M159 PolarHBondContact O-N 2.64Å
156	V	97.3	Very high	95.7	Very high	8 Å²	8	42.8 Å²	42.8	5%	0.048	21%	0.211	C	C	.	.	H	α-helix	trans	-53.9	-46.1	175.8	165.9	0	0	0	0	111.1	E89 I90 L93 A152 G158 M159 K160	E89-V156 HydrophobicContact CB-CG2 4.13Å; E89-V156 HydrophobicContact CG-CG1 3.94Å; E89-V156 HydrophobicContact CG-CG2 3.91Å; E89-V156 VanDerWaalsContact OE1-CG1 3.3Å; E89-V156 WeakPolarHBondContact OE1-CG1 3.23Å; I90-V156 HydrophobicContact CD1-CG2 4.43Å; I90-V156 HydrophobicContact CG1-CG2 3.62Å; L93-V156 HydrophobicContact CD1-CB 4.48Å; L93-V156 HydrophobicContact CD1-CG1 4.04Å; L93-V156 HydrophobicContact CD1-CG2 4.46Å; A152-V156 WeakPolarHBondContact O-CG2 3.38Å; A152-V156 PolarHBondContact O-N 3.11Å; V156-G158 VanDerWaalsContact C-N 3.3Å; V156-G158 PolarHBondContact O-N 3.43Å; V156-M159 PolarHBondContact O-N 2.9Å; V156-K160 HydrophobicContact CG1-CD 4.07Å; V156-K160 HydrophobicContact CG1-CG 4.48Å; V156-K160 WeakPolarHBondContact O-CG 3.09Å; V156-K160 PolarHBondContact O-N 3.26Å
157	S	97.2	Very high	95	Very high	43 Å²	43	39.5 Å²	39.5	30%	0.301	20%	0.198	S	C	.	.	H	α-helix	trans	-60.4	-40.7	177.4	-174.1	0	0	0	0	112	E153 Q154 V155 E161	E153-S157 WeakPolarHBondContact O-CB 3.37Å; E153-S157 PolarHBondContact O-N 2.96Å; Q154-S157 PolarHBondContact O-N 3.1Å; V155-S157 VanDerWaalsContact C-N 3.29Å; V155-S157 PolarHBondContact O-N 3.36Å; S157-E161 PolarHBondContact O-N 3.35Å
158	G	97.1	Very high	93.2	Very high	2 Å²	2	39.9 Å²	39.9	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-65.7	-45.4	175.3	0	0	0	0	0	112.4	Q154 V155 V156 K160 E161 A162	Q154-G158 PolarHBondContact O-N 3.41Å; V155-G158 CarbonylContact O-C 3.56Å; V155-G158 WeakPolarHBondContact O-CA 3.34Å; V155-G158 PolarHBondContact O-N 3.44Å; V156-G158 VanDerWaalsContact C-N 3.3Å; V156-G158 PolarHBondContact O-N 3.43Å; G158-K160 PolarHBondContact O-N 3.46Å; G158-E161 PolarHBondContact O-N 3.29Å; G158-A162 WeakPolarHBondContact O-CB 3.12Å; G158-A162 PolarHBondContact O-N 3.14Å
159	M	96.9	Very high	91.2	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.9	-44.5	177.6	-69	177.6	85.1	0	0	111.6	M66 I90 L93 A94 F97 M99 F125 V155 V156 E161 A162 Q163	M66-M159 HydrophobicContact CE-CG 4.11Å; M66-M159 HydrophobicContact CE-SD 4.21Å; M66-M159 HydrophobicContact SD-CE 3.78Å; M66-M159 HydrophobicContact SD-CG 3.78Å; M66-M159 HydrophobicContact SD-SD 3.93Å; I90-M159 HydrophobicContact CG1-SD 4.36Å; I90-M159 HydrophobicContact CG2-SD 4.1Å; L93-M159 HydrophobicContact CB-CB 4.46Å; L93-M159 HydrophobicContact CB-CE 3.49Å; L93-M159 VanDerWaalsContact CB-CE 3.49Å; L93-M159 HydrophobicContact CB-SD 4.06Å; L93-M159 HydrophobicContact CD1-CB 3.92Å; L93-M159 HydrophobicContact CD1-SD 4.32Å; A94-M159 HydrophobicContact CB-CE 4.45Å; F97-M159 HydrophobicContact CD2-CE 3.95Å; F97-M159 HydrophobicContact CE2-CB 4.26Å; F97-M159 HydrophobicContact CE2-CE 4.23Å; F97-M159 HydrophobicContact CZ-CB 4.43Å; F97-M159 VanDerWaalsContact CZ-O 3.28Å; F97-M159 WeakPolarHBondContact CZ-O 3.17Å; M99-M159 HydrophobicContact SD-CE 4.49Å; F125-M159 HydrophobicContact CE1-CG 4.06Å; F125-M159 HydrophobicContact CZ-CG 4.14Å; V155-M159 HydrophobicContact CG1-CG 4.2Å; V155-M159 HydrophobicContact CG1-SD 3.94Å; V155-M159 WeakPolarHBondContact O-CG 3.36Å; V155-M159 PolarHBondContact O-N 2.64Å; V156-M159 PolarHBondContact O-N 2.9Å; M159-E161 PolarHBondContact O-N 2.66Å; M159-A162 PolarHBondContact O-N 3.09Å; M159-Q163 WeakPolarHBondContact O-CB 2.96Å; M159-Q163 PolarHBondContact O-N 3.17Å
160	K	96.1	Very high	89.2	Confident	101 Å²	101	44.5 Å²	44.5	44%	0.439	24%	0.24	S	C	.	.	H	α-helix	trans	-61.5	-44.8	177.4	-73.8	177.6	-179.7	173.7	0	112.2	E89 L93 V156 G158 Q163 E164	E89-K160 WeakPolarHBondContact OE1-CE 3.28Å; E89-K160 IonicContact OE1-NZ 3.31Å; E89-K160 PolarHBondContact OE1-NZ 2.85Å; L93-K160 HydrophobicContact CD1-CG 4.1Å; L93-K160 HydrophobicContact CD2-CG 4.43Å; V156-K160 HydrophobicContact CG1-CD 4.07Å; V156-K160 HydrophobicContact CG1-CG 4.48Å; V156-K160 WeakPolarHBondContact O-CG 3.09Å; V156-K160 PolarHBondContact O-N 3.26Å; G158-K160 PolarHBondContact O-N 3.46Å; K160-Q163 PolarHBondContact O-N 3.28Å; K160-E164 PolarHBondContact O-N 3.36Å
161	E	95.8	Very high	87.1	Confident	17 Å²	17	49.2 Å²	49.2	8%	0.079	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-41.1	176.1	174.4	167.9	-168.4	0	0	112	I136 K139 S157 G158 M159 E164 K165	I136-E161 HydrophobicContact CG2-CG 4.23Å; K139-E161 WeakPolarHBondContact CE-OE1 3.46Å; K139-E161 WeakPolarHBondContact CE-OE2 3.48Å; K139-E161 IonicContact NZ-OE1 3.41Å; K139-E161 PolarHBondContact NZ-OE1 2.84Å; K139-E161 IonicContact NZ-OE2 3.14Å; K139-E161 PolarHBondContact NZ-OE2 2.93Å; S157-E161 PolarHBondContact O-N 3.35Å; G158-E161 PolarHBondContact O-N 3.29Å; M159-E161 PolarHBondContact O-N 2.66Å; E161-E164 PolarHBondContact O-N 2.76Å; E161-K165 HydrophobicContact CG-CD 3.93Å; E161-K165 WeakPolarHBondContact O-CB 3.49Å; E161-K165 WeakPolarHBondContact O-CG 3.47Å; E161-K165 PolarHBondContact O-N 3.2Å; E161-K165 WeakPolarHBondContact OE1-CE 3.37Å; E161-K165 IonicContact OE1-NZ 2.98Å; E161-K165 PolarHBondContact OE1-NZ 2.96Å
162	A	95.7	Very high	84.8	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.2	-41.7	176.5	0	0	0	0	0	111.8	F97 F125 I136 G158 M159 K165 L166	F97-A162 HydrophobicContact CE1-CB 3.88Å; F97-A162 HydrophobicContact CZ-CB 4.03Å; F125-A162 HydrophobicContact CB-CB 3.92Å; F125-A162 HydrophobicContact CD1-CB 3.33Å; F125-A162 HydrophobicContact CD2-CB 3.98Å; F125-A162 HydrophobicContact CE1-CB 3.74Å; F125-A162 HydrophobicContact CE2-CB 4.34Å; F125-A162 HydrophobicContact CG-CB 3.45Å; F125-A162 VanDerWaalsContact CG-CB 3.45Å; F125-A162 HydrophobicContact CZ-CB 4.23Å; I136-A162 HydrophobicContact CD1-CB 4.11Å; I136-A162 HydrophobicContact CG2-CB 4.26Å; G158-A162 WeakPolarHBondContact O-CB 3.12Å; G158-A162 PolarHBondContact O-N 3.14Å; M159-A162 PolarHBondContact O-N 3.09Å; A162-K165 PolarHBondContact O-N 2.06Å; A162-L166 HydrophobicContact CB-CD1 4.22Å; A162-L166 WeakPolarHBondContact O-CA 3.36Å; A162-L166 WeakPolarHBondContact O-CB 3.46Å; A162-L166 VanDerWaalsContact O-CG 3.23Å; A162-L166 WeakPolarHBondContact O-CG 3.48Å; A162-L166 PolarHBondContact O-N 3.29Å
163	Q	93.9	Very high	82.6	Confident	53 Å²	53	63.8 Å²	63.8	25%	0.248	31%	0.307	C	S	.	.	H	α-helix	trans	-59.5	-54.7	175.5	-170.6	173.6	12.5	0	0	109.7	N96 F97 M159 K160 K165 L166 T167	N96-Q163 PolarHBondContact ND2-NE2 3.07Å; F97-Q163 HydrophobicContact CE2-CB 4.25Å; F97-Q163 HydrophobicContact CZ-CB 3.89Å; M159-Q163 WeakPolarHBondContact O-CB 2.96Å; M159-Q163 PolarHBondContact O-N 3.17Å; K160-Q163 PolarHBondContact O-N 3.28Å; Q163-K165 VanDerWaalsContact C-N 3.3Å; Q163-K165 PolarHBondContact O-N 3.39Å; Q163-L166 PolarHBondContact O-N 3.25Å; Q163-T167 HydrophobicContact CG-CG2 4.28Å; Q163-T167 WeakPolarHBondContact O-CB 3.48Å; Q163-T167 PolarHBondContact O-N 3.46Å; Q163-T167 PolarHBondContact O-OG1 2.91Å
164	E	92.8	Very high	80.2	Confident	158 Å²	158	60 Å²	60	74%	0.738	30%	0.304	S	S	*	.	H	α-helix	trans	-54.7	-44	-179.9	-172.6	-177.2	172.9	0	0	113	K160 E161	K160-E164 PolarHBondContact O-N 3.36Å; E161-E164 PolarHBondContact O-N 2.76Å
165	K	92.8	Very high	77.7	Confident	95 Å²	95	64.8 Å²	64.8	41%	0.413	33%	0.326	S	S	.	.	H	α-helix	trans	-80	-38.8	-176.1	-73.9	178.2	169.8	178.6	0	114	I136 E161 A162 Q163	I136-K165 HydrophobicContact CD1-CD 4.4Å; I136-K165 HydrophobicContact CG1-CD 4.01Å; E161-K165 HydrophobicContact CG-CD 3.93Å; E161-K165 WeakPolarHBondContact O-CB 3.49Å; E161-K165 WeakPolarHBondContact O-CG 3.47Å; E161-K165 PolarHBondContact O-N 3.2Å; E161-K165 WeakPolarHBondContact OE1-CE 3.37Å; E161-K165 IonicContact OE1-NZ 2.98Å; E161-K165 PolarHBondContact OE1-NZ 2.96Å; A162-K165 PolarHBondContact O-N 2.06Å; Q163-K165 VanDerWaalsContact C-N 3.3Å; Q163-K165 PolarHBondContact O-N 3.39Å
166	L	91.1	Very high	75.3	Confident	13 Å²	13	70 Å²	70	7%	0.068	36%	0.358	C	S	.	.	H	α-helix	trans	-98.8	-25.2	-168	-54	179.2	0	0	0	113	P64 F125 D127 H133 I136 A162 Q163	P64-L166 HydrophobicContact CB-CB 3.85Å; P64-L166 HydrophobicContact CB-CD1 3.95Å; P64-L166 HydrophobicContact CG-CB 4.4Å; F125-L166 HydrophobicContact CB-CD1 3.86Å; D127-L166 HydrophobicContact CB-CD2 4.27Å; H133-L166 HydrophobicContact CB-CD2 4.21Å; I136-L166 HydrophobicContact CD1-CD1 3.77Å; I136-L166 HydrophobicContact CD1-CD2 4.01Å; I136-L166 HydrophobicContact CD1-CG 3.86Å; A162-L166 HydrophobicContact CB-CD1 4.22Å; A162-L166 WeakPolarHBondContact O-CA 3.36Å; A162-L166 WeakPolarHBondContact O-CB 3.46Å; A162-L166 VanDerWaalsContact O-CG 3.23Å; A162-L166 WeakPolarHBondContact O-CG 3.48Å; A162-L166 PolarHBondContact O-N 3.29Å; Q163-L166 PolarHBondContact O-N 3.25Å
167	T	81.3	Confident	73	Confident	29 Å²	29	72.4 Å²	72.4	18%	0.178	38%	0.384	C	S	.	.	S	Bend	trans	-87.8	-11.7	171.8	65.4	0	0	0	0	112.8	P64 Q163 D169 A170 F171	P64-T167 HydrophobicContact CG-CG2 3.86Å; Q163-T167 HydrophobicContact CG-CG2 4.28Å; Q163-T167 WeakPolarHBondContact O-CB 3.48Å; Q163-T167 PolarHBondContact O-N 3.46Å; Q163-T167 PolarHBondContact O-OG1 2.91Å; T167-D169 VanDerWaalsContact C-N 3.29Å; T167-D169 PolarHBondContact O-N 3.21Å; T167-A170 PolarHBondContact O-N 2.92Å; T167-F171 WeakPolarHBondContact O-CB 3.08Å; T167-F171 PolarHBondContact O-N 3.41Å
168	G	60.3	Low	70.8	Confident	15 Å²	15	77 Å²	77	16%	0.155	41%	0.405	C	S	.	.	H	α-helix	trans	-57.6	-33.4	-173.6	0	0	0	0	0	114.7	K172	G168-K172 VanDerWaalsContact O-CB 3.23Å; G168-K172 WeakPolarHBondContact O-CB 3.09Å; G168-K172 WeakPolarHBondContact O-CD 3.26Å; G168-K172 WeakPolarHBondContact O-CG 3.13Å; G168-K172 PolarHBondContact O-N 3.42Å
169	D	55.3	Low	68.3	Low	103 Å²	103	85 Å²	85	55%	0.551	44%	0.442	S	S	*	.	H	α-helix	trans	-81.1	-29.7	-179.3	-71.5	-18.7	0	0	0	113.3	T167 R173	T167-D169 VanDerWaalsContact C-N 3.29Å; T167-D169 PolarHBondContact O-N 3.21Å; D169-R173 WeakPolarHBondContact O-CG 3.32Å; D169-R173 PolarHBondContact O-N 3.04Å
170	A	53.2	Low	65.6	Low	54 Å²	54	96.3 Å²	96.3	45%	0.446	50%	0.502	S	S	.	.	H	α-helix	trans	-73.8	-39.7	171.7	0	0	0	0	0	111.3	T167 G174	T167-A170 PolarHBondContact O-N 2.92Å; A170-G174 PolarHBondContact O-N 3.13Å
171	F	50.1	Low	64.1	Low	152 Å²	152	96.1 Å²	96.1	67%	0.667	51%	0.505	S	S	*	.	H	α-helix	trans	-71.5	-37.4	178.6	-152.7	-93.6	0	0	0	112.6	T167 G174 H175	T167-F171 WeakPolarHBondContact O-CB 3.08Å; T167-F171 PolarHBondContact O-N 3.41Å; F171-G174 PolarHBondContact O-N 3.27Å; F171-H175 PolarHBondContact O-N 3.3Å
172	K	48	Very low	62.5	Low	139 Å²	139	100.3 Å²	100.3	60%	0.604	53%	0.527	S	S	*	.	H	α-helix	trans	-67.1	-36	175.5	-77.1	172.6	-174.7	175.2	0	113	G168 G174 H175 T176	G168-K172 VanDerWaalsContact O-CB 3.23Å; G168-K172 WeakPolarHBondContact O-CB 3.09Å; G168-K172 WeakPolarHBondContact O-CD 3.26Å; G168-K172 WeakPolarHBondContact O-CG 3.13Å; G168-K172 PolarHBondContact O-N 3.42Å; K172-G174 VanDerWaalsContact C-N 3.29Å; K172-G174 PolarHBondContact O-N 2.99Å; K172-H175 PolarHBondContact O-N 3.29Å; K172-T176 PolarHBondContact O-N 3.43Å; K172-T176 PolarHBondContact O-OG1 3.13Å
173	R	49.6	Very low	60.6	Low	199 Å²	199	105.8 Å²	105.8	75%	0.751	56%	0.556	S	S	*	*	H	α-helix	trans	-66.9	-28.4	176.2	-76	178.9	-164.3	147.8	7.3	113	D169	D169-R173 WeakPolarHBondContact O-CG 3.32Å; D169-R173 PolarHBondContact O-N 3.04Å
174	G	45.8	Very low	58.7	Low	54 Å²	54	108.9 Å²	108.9	56%	0.557	57%	0.574	S	S	*	*	H	α-helix	trans	-72.3	-33.7	173.5	0	0	0	0	0	113.6	A170 F171 K172	A170-G174 PolarHBondContact O-N 3.13Å; F171-G174 PolarHBondContact O-N 3.27Å; K172-G174 VanDerWaalsContact C-N 3.29Å; K172-G174 PolarHBondContact O-N 2.99Å
175	H	45	Very low	56.5	Low	126 Å²	126	105.9 Å²	105.9	58%	0.583	56%	0.564	S	S	*	*	H	α-helix	trans	-90.3	-12.4	-174	-120.3	-50.5	0	0	0	115.3	F171 K172 G177	F171-H175 PolarHBondContact O-N 3.3Å; K172-H175 PolarHBondContact O-N 3.29Å; H175-G177 VanDerWaalsContact C-N 3.29Å
176	T	46.8	Very low	54.1	Low	109 Å²	109	106.6 Å²	106.6	67%	0.669	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	1.7	177.9	-30.9	0	0	0	0	112.4	K172	K172-T176 PolarHBondContact O-N 3.43Å; K172-T176 PolarHBondContact O-OG1 3.13Å
177	G	47.7	Very low	51.5	Low	58 Å²	58	113.3 Å²	113.3	60%	0.598	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-11.9	179.1	0	0	0	0	0	115.3	H175	H175-G177 VanDerWaalsContact C-N 3.29Å
178	D	51.4	Low	49.2	Very low	139 Å²	139	119.8 Å²	119.8	74%	0.743	64%	0.644	S	S	*	*	S	Bend	trans	-107.6	8.4	-171.4	-69.7	-15.9	0	0	0	113.9
179	E	45.1	Very low	48.2	Very low	172 Å²	172	128.5 Å²	128.5	80%	0.804	68%	0.684	S	S	*	*			trans	-115	28.8	178.7	-67.8	-161	125.6	0	0	114.6
180	L	41	Very low	47.6	Very low	237 Å²	237	130.8 Å²	130.8	100%	1.241	70%	0.697	S	S	*	*			trans	-127.5	0	170.2	-69	175.8	0	0	0	113

Retrieved 180 of 180 residues in 189.7 ms (Link to these results)

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