A0A077ZJ56_TRITR Loading...

Zf-CpG bind C domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJ56, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 284 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	32.8	Very low	36.6	Very low	252 Å²	252	152.8 Å²	152.8	100%	1.241	87%	0.871	S	S	*	*				0	117.7	0	-66.9	169.7	110.9	0	0	106.4
2	K	34	Very low	36.5	Very low	201 Å²	201	152.6 Å²	152.6	87%	0.874	87%	0.866	S	S	*	*			cis	-150.1	143.7	6.9	-148.4	176.5	-174.4	-177.1	0	105.4
3	P	39.1	Very low	36.4	Very low	117 Å²	117	151.8 Å²	151.8	76%	0.76	87%	0.866	S	S	*	*			trans	-84.4	142.8	-170.6	22.3	-10.6	0	0	0	112.4
4	T	38.8	Very low	36.2	Very low	141 Å²	141	148.4 Å²	148.4	87%	0.865	87%	0.866	S	S	*	*			trans	-98.9	107.5	176.6	32.7	0	0	0	0	110
5	D	38.4	Very low	36.1	Very low	153 Å²	153	145.4 Å²	145.4	82%	0.818	86%	0.856	S	S	*	*			trans	-115.1	123.5	164.8	-69.6	-38.6	0	0	0	108.3
6	S	40.7	Very low	35.9	Very low	120 Å²	120	143.1 Å²	143.1	84%	0.839	85%	0.85	S	S	*	*			trans	-167.3	98.8	153.8	58	0	0	0	0	109.6
7	E	37.9	Very low	35.8	Very low	195 Å²	195	144 Å²	144	91%	0.911	85%	0.848	S	S	*	*			trans	-67.4	132.3	169.6	-71.3	173.6	139.4	0	0	110.3
8	A	38.3	Very low	35.7	Very low	99 Å²	99	142.5 Å²	142.5	82%	0.818	84%	0.84	S	S	*	*			trans	-90.2	113.7	177.7	0	0	0	0	0	110.2
9	L	33.2	Very low	35.9	Very low	172 Å²	172	140.8 Å²	140.8	90%	0.901	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-75.4	127.1	170.2	-86.5	127.1	0	0	0	110.5
10	S	34.7	Very low	35.9	Very low	114 Å²	114	140.1 Å²	140.1	80%	0.797	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-80.3	139.4	179	-67.2	0	0	0	0	112.3
11	P	34.5	Very low	36.2	Very low	117 Å²	117	138.2 Å²	138.2	76%	0.76	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-93.3	126.5	-174	34.3	-31	0	0	0	113.5
12	D	35.5	Very low	36.6	Very low	150 Å²	150	130.9 Å²	130.9	80%	0.802	78%	0.784	S	S	*	*				50.7	100.8	129.5	-61	-26.2	0	0	0	120.6	A14	D12-A14 PolarHBondContact O-N 3.43Å
13	T	35.6	Very low	37.1	Very low	142 Å²	142	131.2 Å²	131.2	87%	0.871	78%	0.779	S	S	*	*			trans	-20.7	113.5	142.8	-10.7	0	0	0	0	114.8	S15	T13-S15 PolarHBondContact O-N 2.85Å; T13-S15 VanDerWaalsContact O-N 3.12Å
14	A	33.5	Very low	37.2	Very low	104 Å²	104	130.1 Å²	130.1	86%	0.86	76%	0.764	S	S	*	*			trans	-63	103.1	174.9	0	0	0	0	0	112.2	D12	D12-A14 PolarHBondContact O-N 3.43Å
15	S	33.9	Very low	37.2	Very low	104 Å²	104	125.1 Å²	125.1	73%	0.727	74%	0.737	S	S	*	*			trans	-74.1	125.2	168.4	61.2	0	0	0	0	110.2	T13 I17	T13-S15 PolarHBondContact O-N 2.85Å; T13-S15 VanDerWaalsContact O-N 3.12Å; S15-I17 PolarHBondContact O-N 3.02Å; S15-I17 VanDerWaalsContact O-N 3.12Å
16	S	33.4	Very low	37.4	Very low	109 Å²	109	125.8 Å²	125.8	76%	0.762	73%	0.728	S	S	*	*			trans	-37.7	107.4	175.8	53.6	0	0	0	0	113.9	V18	S16-V18 PolarHBondContact O-N 3.47Å
17	I	33.9	Very low	37.7	Very low	158 Å²	158	126.4 Å²	126.4	81%	0.81	71%	0.712	S	S	*	*			trans	-68.1	104.6	172	-61.4	170.5	0	0	0	107.2	S15 S19	S15-I17 PolarHBondContact O-N 3.02Å; S15-I17 VanDerWaalsContact O-N 3.12Å; I17-S19 PolarHBondContact O-N 3.33Å
18	V	34.7	Very low	37.8	Very low	117 Å²	117	121.1 Å²	121.1	71%	0.709	69%	0.689	S	S	*	*			trans	-59.9	108.3	167.2	177.7	0	0	0	0	106.3	S16 L20	S16-V18 PolarHBondContact O-N 3.47Å; V18-L20 HydrophobicContact CG1-CD1 4.24Å; V18-L20 PolarHBondContact O-N 2.68Å
19	S	38.8	Very low	37.9	Very low	110 Å²	110	120.5 Å²	120.5	77%	0.769	68%	0.675	S	S	*	*			trans	-69.5	75.7	178.5	62.5	0	0	0	0	109.3	I17 N21	I17-S19 PolarHBondContact O-N 3.33Å; S19-N21 PolarHBondContact O-N 3.5Å; S19-N21 VanDerWaalsContact O-N 3.08Å
20	L	36.4	Very low	38.5	Very low	126 Å²	126	117 Å²	117	66%	0.66	66%	0.657	S	S	*	*			trans	-64.8	110.8	170.1	-114.4	122.9	0	0	0	106.9	V18 V22 A25	V18-L20 HydrophobicContact CG1-CD1 4.24Å; V18-L20 PolarHBondContact O-N 2.68Å; L20-V22 PolarHBondContact O-N 3.4Å; L20-A25 HydrophobicContact CD2-CB 4.31Å
21	N	42.7	Very low	38.8	Very low	101 Å²	101	116.3 Å²	116.3	54%	0.54	64%	0.641	S	S	.	*			trans	-60.5	105.5	176.7	-174.8	-19.2	0	0	0	107.9	S19 R23 E24 A25	S19-N21 PolarHBondContact O-N 3.5Å; S19-N21 VanDerWaalsContact O-N 3.08Å; N21-R23 PolarHBondContact O-N 3.29Å; N21-R23 PolarHBondContact OD1-N 2.79Å; N21-E24 HydrophobicContact CB-CB 4.31Å; N21-E24 WeakPolarHBondContact O-CB 3.42Å; N21-E24 PolarHBondContact O-N 2.98Å; N21-A25 PolarHBondContact O-N 3.41Å
22	V	39.8	Very low	38.9	Very low	99 Å²	99	116 Å²	116	60%	0.6	63%	0.633	S	S	*	*	H	α-helix	trans	-50.3	-36	-174.1	173.9	0	0	0	0	111.3	L20 E24 A25 W26	L20-V22 PolarHBondContact O-N 3.4Å; V22-E24 VanDerWaalsContact C-N 3.35Å; V22-E24 PolarHBondContact O-N 3.32Å; V22-A25 PolarHBondContact O-N 3.07Å; V22-W26 PolarHBondContact O-N 3.41Å
23	R	45.4	Very low	38.9	Very low	207 Å²	207	111.3 Å²	111.3	78%	0.781	61%	0.614	S	S	*	*	H	α-helix	trans	-64.1	-36.6	178.2	-168.3	179.4	-68.3	-170.1	-1.1	113.1	N21 R27	N21-R23 PolarHBondContact O-N 3.29Å; N21-R23 PolarHBondContact OD1-N 2.79Å; R23-R27 PolarHBondContact O-N 3.24Å
24	E	41.4	Very low	39	Very low	94 Å²	94	108.2 Å²	108.2	44%	0.439	60%	0.599	S	S	.	*	H	α-helix	trans	-71	-40.7	177.4	-166.3	118.5	-140.9	0	0	111	N21 V22 W26 R27 I28	N21-E24 HydrophobicContact CB-CB 4.31Å; N21-E24 WeakPolarHBondContact O-CB 3.42Å; N21-E24 PolarHBondContact O-N 2.98Å; V22-E24 VanDerWaalsContact C-N 3.35Å; V22-E24 PolarHBondContact O-N 3.32Å; E24-W26 VanDerWaalsContact C-N 3.33Å; E24-W26 PolarHBondContact O-N 3.41Å; E24-R27 PolarHBondContact O-N 3Å; E24-R27 IonicContact OE1-CZ 3.53Å; E24-R27 IonicContact OE1-NH1 3.46Å; E24-R27 IonicContact OE1-NH2 3.87Å; E24-R27 PolarHBondContact OE1-NH2 3.27Å; E24-I28 HydrophobicContact CG-CD1 4.44Å; E24-I28 WeakPolarHBondContact O-CG1 3.47Å; E24-I28 PolarHBondContact O-N 2.79Å
25	A	38.2	Very low	39.3	Very low	36 Å²	36	106.3 Å²	106.3	30%	0.298	58%	0.579	S	S	.	*	H	α-helix	trans	-61.6	-40.9	174	0	0	0	0	0	111.9	L20 N21 V22 I28 V29	L20-A25 HydrophobicContact CD2-CB 4.31Å; N21-A25 PolarHBondContact O-N 3.41Å; V22-A25 PolarHBondContact O-N 3.07Å; A25-I28 PolarHBondContact O-N 3.43Å; A25-V29 WeakPolarHBondContact O-CG2 3.48Å; A25-V29 PolarHBondContact O-N 3.02Å; A25-V29 VanDerWaalsContact O-N 3.11Å
26	W	43.6	Very low	39.4	Very low	167 Å²	167	105 Å²	105	63%	0.633	57%	0.567	S	S	*	*	H	α-helix	trans	-63.3	-43.1	173.9	-86.6	98.4	0	0	0	112.5	V22 E24 I28 V29 D30	V22-W26 PolarHBondContact O-N 3.41Å; E24-W26 VanDerWaalsContact C-N 3.33Å; E24-W26 PolarHBondContact O-N 3.41Å; W26-I28 VanDerWaalsContact C-N 3.33Å; W26-I28 PolarHBondContact O-N 3.16Å; W26-V29 PolarHBondContact O-N 2.96Å; W26-D30 PolarHBondContact O-N 3.14Å
27	R	45.6	Very low	39.5	Very low	134 Å²	134	105.3 Å²	105.3	51%	0.506	56%	0.56	S	S	.	*	H	α-helix	trans	-59.6	-43.6	176.7	-166	-173	73.4	-147.3	-16.1	111.6	R23 E24 V29 D30 E31	R23-R27 PolarHBondContact O-N 3.24Å; E24-R27 PolarHBondContact O-N 3Å; E24-R27 IonicContact OE1-CZ 3.53Å; E24-R27 IonicContact OE1-NH1 3.46Å; E24-R27 IonicContact OE1-NH2 3.87Å; E24-R27 PolarHBondContact OE1-NH2 3.27Å; R27-V29 VanDerWaalsContact C-N 3.32Å; R27-V29 PolarHBondContact O-N 3.49Å; R27-D30 PolarHBondContact O-N 2.9Å; R27-E31 IonicContact NE-OE1 2.81Å; R27-E31 PolarHBondContact NE-OE1 3.26Å; R27-E31 WeakPolarHBondContact O-CB 3.38Å; R27-E31 WeakPolarHBondContact O-CG 3.49Å; R27-E31 PolarHBondContact O-N 3.1Å
28	I	41	Very low	39.6	Very low	83 Å²	83	101.2 Å²	101.2	43%	0.426	55%	0.545	S	S	.	.	H	α-helix	trans	-62.8	-39.6	178.1	-66.9	166	0	0	0	111.1	E24 A25 W26 L32	E24-I28 HydrophobicContact CG-CD1 4.44Å; E24-I28 WeakPolarHBondContact O-CG1 3.47Å; E24-I28 PolarHBondContact O-N 2.79Å; A25-I28 PolarHBondContact O-N 3.43Å; W26-I28 VanDerWaalsContact C-N 3.33Å; W26-I28 PolarHBondContact O-N 3.16Å; I28-L32 HydrophobicContact CG2-CD1 3.94Å; I28-L32 WeakPolarHBondContact O-CB 3.45Å; I28-L32 PolarHBondContact O-N 3.42Å
29	V	39.7	Very low	39.5	Very low	86 Å²	86	99 Å²	99	52%	0.521	53%	0.532	S	S	.	.	H	α-helix	trans	-68.7	-43.6	179	170.8	0	0	0	0	111.7	A25 W26 R27 L32 A33	A25-V29 WeakPolarHBondContact O-CG2 3.48Å; A25-V29 PolarHBondContact O-N 3.02Å; A25-V29 VanDerWaalsContact O-N 3.11Å; W26-V29 PolarHBondContact O-N 2.96Å; R27-V29 VanDerWaalsContact C-N 3.32Å; R27-V29 PolarHBondContact O-N 3.49Å; V29-L32 PolarHBondContact O-N 2.78Å; V29-A33 WeakPolarHBondContact O-CB 3.45Å; V29-A33 PolarHBondContact O-N 2.94Å
30	D	46.2	Very low	39.3	Very low	98 Å²	98	98.7 Å²	98.7	52%	0.524	52%	0.521	S	S	.	.	H	α-helix	trans	-66.4	-38.7	175.9	-86.4	-9.1	0	0	0	111.7	W26 R27 A33 S34	W26-D30 PolarHBondContact O-N 3.14Å; R27-D30 PolarHBondContact O-N 2.9Å; D30-A33 PolarHBondContact O-N 3.24Å; D30-S34 WeakPolarHBondContact O-CB 3.5Å; D30-S34 PolarHBondContact O-N 3.16Å; D30-S34 PolarHBondContact O-OG 3.21Å
31	E	41.7	Very low	39.2	Very low	101 Å²	101	96.7 Å²	96.7	47%	0.472	52%	0.522	S	S	.	.	H	α-helix	trans	-60.9	-43.1	172.2	-80.7	172.7	-174.6	0	0	111.4	R27 S35	R27-E31 IonicContact NE-OE1 2.81Å; R27-E31 PolarHBondContact NE-OE1 3.26Å; R27-E31 WeakPolarHBondContact O-CB 3.38Å; R27-E31 WeakPolarHBondContact O-CG 3.49Å; R27-E31 PolarHBondContact O-N 3.1Å; E31-S35 VanDerWaalsContact O-CB 3.28Å; E31-S35 WeakPolarHBondContact O-CB 3.41Å; E31-S35 PolarHBondContact O-N 2.86Å; E31-S35 PolarHBondContact O-OG 2.93Å
32	L	35.3	Very low	38.9	Very low	111 Å²	111	93.9 Å²	93.9	58%	0.581	51%	0.511	S	S	*	.	H	α-helix	trans	-66.1	-43.6	176.4	-110.2	126.4	0	0	0	112.2	I28 V29 S35 V36	I28-L32 HydrophobicContact CG2-CD1 3.94Å; I28-L32 WeakPolarHBondContact O-CB 3.45Å; I28-L32 PolarHBondContact O-N 3.42Å; V29-L32 PolarHBondContact O-N 2.78Å; L32-S35 PolarHBondContact O-N 3.43Å; L32-V36 WeakPolarHBondContact O-CG2 3.46Å; L32-V36 PolarHBondContact O-N 3.11Å
33	A	36.7	Very low	38.6	Very low	50 Å²	50	93.1 Å²	93.1	41%	0.413	51%	0.51	S	S	.	.	H	α-helix	trans	-62.8	-44.7	177.8	0	0	0	0	0	111.4	V29 D30 S35 V36 D37	V29-A33 WeakPolarHBondContact O-CB 3.45Å; V29-A33 PolarHBondContact O-N 2.94Å; D30-A33 PolarHBondContact O-N 3.24Å; A33-S35 VanDerWaalsContact C-N 3.3Å; A33-S35 PolarHBondContact O-N 3.44Å; A33-V36 PolarHBondContact O-N 3.42Å; A33-D37 PolarHBondContact O-N 2.72Å; A33-D37 VanDerWaalsContact O-N 3.12Å
34	S	38.4	Very low	38.3	Very low	78 Å²	78	89 Å²	89	55%	0.545	50%	0.503	S	S	.	.	H	α-helix	trans	-65	-35.1	176.2	-52.4	0	0	0	0	112	D30 S38	D30-S34 WeakPolarHBondContact O-CB 3.5Å; D30-S34 PolarHBondContact O-N 3.16Å; D30-S34 PolarHBondContact O-OG 3.21Å; S34-S38 PolarHBondContact O-N 3.45Å; S34-S38 VanDerWaalsContact O-N 3.11Å
35	S	38.2	Very low	38.1	Very low	64 Å²	64	89.8 Å²	89.8	45%	0.448	50%	0.503	S	S	.	.	H	α-helix	trans	-68.5	-34.2	175.3	-59.3	0	0	0	0	112	E31 L32 A33 S38 V39	E31-S35 VanDerWaalsContact O-CB 3.28Å; E31-S35 WeakPolarHBondContact O-CB 3.41Å; E31-S35 PolarHBondContact O-N 2.86Å; E31-S35 PolarHBondContact O-OG 2.93Å; L32-S35 PolarHBondContact O-N 3.43Å; A33-S35 VanDerWaalsContact C-N 3.3Å; A33-S35 PolarHBondContact O-N 3.44Å; S35-S38 PolarHBondContact O-N 2.91Å; S35-S38 PolarHBondContact O-OG 3.37Å; S35-S38 VanDerWaalsContact O-OG 3.04Å; S35-V39 VanDerWaalsContact O-CG2 3.22Å; S35-V39 WeakPolarHBondContact O-CG2 3.36Å; S35-V39 PolarHBondContact O-N 3.08Å
36	V	36.3	Very low	37.9	Very low	76 Å²	76	92.4 Å²	92.4	46%	0.461	51%	0.511	S	S	.	.	H	α-helix	trans	-71.5	-38.5	176.8	171.8	0	0	0	0	111.3	L32 A33 S38 V39 L40	L32-V36 WeakPolarHBondContact O-CG2 3.46Å; L32-V36 PolarHBondContact O-N 3.11Å; A33-V36 PolarHBondContact O-N 3.42Å; V36-S38 VanDerWaalsContact C-N 3.27Å; V36-S38 PolarHBondContact O-N 3.37Å; V36-V39 PolarHBondContact O-N 2.85Å; V36-L40 HydrophobicContact CG1-CD1 4.09Å; V36-L40 HydrophobicContact CG1-CG 4.48Å; V36-L40 WeakPolarHBondContact O-CG 3.32Å; V36-L40 PolarHBondContact O-N 2.92Å
37	D	36.5	Very low	37.6	Very low	115 Å²	115	90.5 Å²	90.5	62%	0.615	51%	0.509	S	S	*	.	H	α-helix	trans	-63.8	-34.8	172.6	-77	-17.8	0	0	0	111.3	A33 A41	A33-D37 PolarHBondContact O-N 2.72Å; A33-D37 VanDerWaalsContact O-N 3.12Å; D37-A41 VanDerWaalsContact O-CB 3.22Å; D37-A41 WeakPolarHBondContact O-CB 3.37Å; D37-A41 PolarHBondContact O-N 2.89Å
38	S	35.4	Very low	37.3	Very low	73 Å²	73	89.7 Å²	89.7	51%	0.51	51%	0.511	S	S	.	.	H	α-helix	trans	-70.8	-38.1	174.9	94.1	0	0	0	0	112.9	S34 S35 V36 L40 A41 S42	S34-S38 PolarHBondContact O-N 3.45Å; S34-S38 VanDerWaalsContact O-N 3.11Å; S35-S38 PolarHBondContact O-N 2.91Å; S35-S38 PolarHBondContact O-OG 3.37Å; S35-S38 VanDerWaalsContact O-OG 3.04Å; V36-S38 VanDerWaalsContact C-N 3.27Å; V36-S38 PolarHBondContact O-N 3.37Å; S38-L40 VanDerWaalsContact C-N 3.32Å; S38-L40 PolarHBondContact O-N 3.18Å; S38-A41 PolarHBondContact O-N 3.31Å; S38-S42 PolarHBondContact O-N 2.9Å
39	V	32.1	Very low	37	Very low	71 Å²	71	89.5 Å²	89.5	43%	0.43	51%	0.51	S	S	.	.	H	α-helix	trans	-66.1	-36	176	170.3	0	0	0	0	111.2	S35 V36 Y45	S35-V39 VanDerWaalsContact O-CG2 3.22Å; S35-V39 WeakPolarHBondContact O-CG2 3.36Å; S35-V39 PolarHBondContact O-N 3.08Å; V36-V39 PolarHBondContact O-N 2.85Å; V39-Y45 HydrophobicContact CG1-CD1 4.48Å
40	L	33.7	Very low	36.7	Very low	103 Å²	103	92.4 Å²	92.4	54%	0.539	51%	0.513	S	S	.	.	H	α-helix	trans	-80.3	-23.7	176.3	-66.1	176.3	0	0	0	113.3	V36 S38	V36-L40 HydrophobicContact CG1-CD1 4.09Å; V36-L40 HydrophobicContact CG1-CG 4.48Å; V36-L40 WeakPolarHBondContact O-CG 3.32Å; V36-L40 PolarHBondContact O-N 2.92Å; S38-L40 VanDerWaalsContact C-N 3.32Å; S38-L40 PolarHBondContact O-N 3.18Å
41	A	35.5	Very low	36.2	Very low	83 Å²	83	89.1 Å²	89.1	69%	0.686	50%	0.498	S	S	*	.	H	α-helix	trans	-82.4	-14.6	173.9	0	0	0	0	0	113.4	D37 S38 S43	D37-A41 VanDerWaalsContact O-CB 3.22Å; D37-A41 WeakPolarHBondContact O-CB 3.37Å; D37-A41 PolarHBondContact O-N 2.89Å; S38-A41 PolarHBondContact O-N 3.31Å; A41-S43 PolarHBondContact O-N 3.16Å
42	S	35.9	Very low	35.8	Very low	43 Å²	43	87.6 Å²	87.6	30%	0.301	50%	0.495	S	S	.	.			trans	-64.3	101.2	173.4	170.8	0	0	0	0	109.4	S38 D44 Y45 I46	S38-S42 PolarHBondContact O-N 2.9Å; S42-D44 PolarHBondContact O-N 3.41Å; S42-D44 VanDerWaalsContact O-N 3.14Å; S42-Y45 PolarHBondContact O-N 2.74Å; S42-Y45 PolarHBondContact OG-N 3.39Å; S42-I46 PolarHBondContact O-N 3.17Å
43	S	34.4	Very low	35.7	Very low	82 Å²	82	86 Å²	86	57%	0.573	49%	0.487	S	S	*	.	H	α-helix	trans	-52.4	-34.3	171.1	61.5	0	0	0	0	110.3	A41 Y45 I46 H47	A41-S43 PolarHBondContact O-N 3.16Å; S43-Y45 PolarHBondContact O-N 2.77Å; S43-I46 PolarHBondContact O-N 2.77Å; S43-H47 WeakPolarHBondContact O-CB 3.43Å; S43-H47 PolarHBondContact O-N 2.95Å
44	D	38.5	Very low	35.6	Very low	121 Å²	121	90.3 Å²	90.3	65%	0.647	50%	0.496	S	S	*	.	H	α-helix	trans	-67.1	-36	-179.2	-59.5	-18.6	0	0	0	112.3	S42 H48	S42-D44 PolarHBondContact O-N 3.41Å; S42-D44 VanDerWaalsContact O-N 3.14Å; D44-H48 WeakPolarHBondContact O-CB 3.27Å; D44-H48 PolarHBondContact O-N 2.74Å
45	Y	37.5	Very low	35.4	Very low	110 Å²	110	93.6 Å²	93.6	43%	0.431	50%	0.503	S	S	.	.	H	α-helix	trans	-71.2	-41.8	173.5	-175.2	-100.1	0	0	0	111.7	V39 S42 S43 H47 H48 L49	V39-Y45 HydrophobicContact CG1-CD1 4.48Å; S42-Y45 PolarHBondContact O-N 2.74Å; S42-Y45 PolarHBondContact OG-N 3.39Å; S43-Y45 PolarHBondContact O-N 2.77Å; Y45-H47 VanDerWaalsContact C-N 3.32Å; Y45-H47 PolarHBondContact O-N 2.84Å; Y45-H48 PolarHBondContact O-N 3.23Å; Y45-L49 HydrophobicContact CE1-CD1 4.17Å; Y45-L49 WeakPolarHBondContact O-CB 3.24Å; Y45-L49 PolarHBondContact O-N 3.07Å
46	I	34.5	Very low	35	Very low	91 Å²	91	97.2 Å²	97.2	47%	0.467	51%	0.513	S	S	.	.	H	α-helix	trans	-62.9	-43.1	174.4	-66	-171.8	0	0	0	110.1	S42 S43 L49 Y50	S42-I46 PolarHBondContact O-N 3.17Å; S43-I46 PolarHBondContact O-N 2.77Å; I46-L49 PolarHBondContact O-N 3.23Å; I46-Y50 VanDerWaalsContact O-CB 3.32Å; I46-Y50 WeakPolarHBondContact O-CB 3.26Å; I46-Y50 PolarHBondContact O-N 2.73Å
47	H	36.2	Very low	34.6	Very low	127 Å²	127	98.3 Å²	98.3	59%	0.588	52%	0.524	S	S	*	.	H	α-helix	trans	-67.5	-37.4	178.6	-144.8	-65.1	0	0	0	111.2	S43 Y45 Y50 S51	S43-H47 WeakPolarHBondContact O-CB 3.43Å; S43-H47 PolarHBondContact O-N 2.95Å; Y45-H47 VanDerWaalsContact C-N 3.32Å; Y45-H47 PolarHBondContact O-N 2.84Å; H47-Y50 PolarHBondContact O-N 2.94Å; H47-S51 WeakPolarHBondContact O-CB 3.35Å; H47-S51 PolarHBondContact O-N 2.87Å; H47-S51 PolarHBondContact O-OG 3.19Å
48	H	40.3	Very low	34.3	Very low	118 Å²	118	100.3 Å²	100.3	55%	0.546	53%	0.534	S	S	.	.	H	α-helix	trans	-66.9	-42.1	173.3	-174.9	64.7	0	0	0	111.3	D44 Y45 Y50 S51 T52	D44-H48 WeakPolarHBondContact O-CB 3.27Å; D44-H48 PolarHBondContact O-N 2.74Å; Y45-H48 PolarHBondContact O-N 3.23Å; H48-Y50 VanDerWaalsContact C-N 3.32Å; H48-Y50 PolarHBondContact O-N 2.9Å; H48-S51 PolarHBondContact O-N 3.13Å; H48-T52 WeakPolarHBondContact O-CB 3.45Å; H48-T52 PolarHBondContact O-N 3.33Å; H48-T52 PolarHBondContact O-OG1 3.18Å
49	L	34.4	Very low	33.8	Very low	79 Å²	79	101.7 Å²	101.7	41%	0.414	54%	0.539	S	S	.	.	H	α-helix	trans	-64.2	-39.4	174.2	-152.8	89.4	0	0	0	110.8	Y45 I46 L53	Y45-L49 HydrophobicContact CE1-CD1 4.17Å; Y45-L49 WeakPolarHBondContact O-CB 3.24Å; Y45-L49 PolarHBondContact O-N 3.07Å; I46-L49 PolarHBondContact O-N 3.23Å; L49-L53 HydrophobicContact CD2-CD1 4.13Å; L49-L53 HydrophobicContact CG-CD1 4Å; L49-L53 VanDerWaalsContact O-CB 3.25Å; L49-L53 WeakPolarHBondContact O-CB 3.28Å; L49-L53 WeakPolarHBondContact O-CD1 3.46Å; L49-L53 WeakPolarHBondContact O-CG 3.38Å; L49-L53 PolarHBondContact O-N 2.96Å
50	Y	32.8	Very low	33.6	Very low	146 Å²	146	104.2 Å²	104.2	57%	0.573	56%	0.555	S	S	*	*	H	α-helix	trans	-65.2	-50.6	175.9	-127.9	-92	0	0	0	111.3	I46 H47 H48 T52 L53 F54	I46-Y50 VanDerWaalsContact O-CB 3.32Å; I46-Y50 WeakPolarHBondContact O-CB 3.26Å; I46-Y50 PolarHBondContact O-N 2.73Å; H47-Y50 PolarHBondContact O-N 2.94Å; H48-Y50 VanDerWaalsContact C-N 3.32Å; H48-Y50 PolarHBondContact O-N 2.9Å; Y50-T52 VanDerWaalsContact C-N 3.35Å; Y50-T52 PolarHBondContact O-N 2.94Å; Y50-L53 PolarHBondContact O-N 2.71Å; Y50-F54 AromaticContact CD1-CD2 3.76Å; Y50-F54 HydrophobicContact CD1-CD2 3.76Å; Y50-F54 HydrophobicContact CD1-CE2 4.35Å; Y50-F54 AromaticContact CE1-CD2 3.96Å; Y50-F54 HydrophobicContact CE1-CD2 3.96Å; Y50-F54 HydrophobicContact CE1-CE2 4.25Å; Y50-F54 HydrophobicContact CE2-CE2 4.49Å; Y50-F54 HydrophobicContact CG-CD2 4.13Å; Y50-F54 VanDerWaalsContact O-CB 3.29Å; Y50-F54 WeakPolarHBondContact O-CB 3.47Å; Y50-F54 WeakPolarHBondContact O-CD2 3.22Å; Y50-F54 PolarHBondContact O-N 3.2Å
51	S	35	Very low	33.3	Very low	30 Å²	30	102.5 Å²	102.5	21%	0.21	56%	0.561	C	S	.	*	H	α-helix	trans	-63.1	-40.2	176	-80.6	0	0	0	0	111.6	H47 H48 L53 E55 H56	H47-S51 WeakPolarHBondContact O-CB 3.35Å; H47-S51 PolarHBondContact O-N 2.87Å; H47-S51 PolarHBondContact O-OG 3.19Å; H48-S51 PolarHBondContact O-N 3.13Å; S51-L53 PolarHBondContact O-N 2.93Å; S51-E55 VanDerWaalsContact CB-OE2 3.31Å; S51-E55 WeakPolarHBondContact CB-OE2 3.26Å; S51-E55 WeakPolarHBondContact O-CA 3.03Å; S51-E55 WeakPolarHBondContact O-CB 3.48Å; S51-E55 PolarHBondContact O-N 2.84Å; S51-E55 PolarHBondContact OG-OE2 2.95Å; S51-H56 PolarHBondContact O-N 2.84Å
52	T	35.3	Very low	32.8	Very low	68 Å²	68	102.4 Å²	102.4	42%	0.417	55%	0.552	S	S	.	*	H	α-helix	trans	-67.9	-36.7	179.4	-55.3	0	0	0	0	111.9	H48 Y50	H48-T52 WeakPolarHBondContact O-CB 3.45Å; H48-T52 PolarHBondContact O-N 3.33Å; H48-T52 PolarHBondContact O-OG1 3.18Å; Y50-T52 VanDerWaalsContact C-N 3.35Å; Y50-T52 PolarHBondContact O-N 2.94Å
53	L	32.8	Very low	32.3	Very low	79 Å²	79	104.2 Å²	104.2	41%	0.414	56%	0.563	S	S	.	*	H	α-helix	trans	-85	-28	180	-70.2	170.5	0	0	0	113.6	L49 Y50 S51 V59	L49-L53 HydrophobicContact CD2-CD1 4.13Å; L49-L53 HydrophobicContact CG-CD1 4Å; L49-L53 VanDerWaalsContact O-CB 3.25Å; L49-L53 WeakPolarHBondContact O-CB 3.28Å; L49-L53 WeakPolarHBondContact O-CD1 3.46Å; L49-L53 WeakPolarHBondContact O-CG 3.38Å; L49-L53 PolarHBondContact O-N 2.96Å; Y50-L53 PolarHBondContact O-N 2.71Å; S51-L53 PolarHBondContact O-N 2.93Å; L53-V59 HydrophobicContact CD2-CG2 4.42Å
54	F	33.7	Very low	32	Very low	139 Å²	139	102.9 Å²	102.9	61%	0.61	55%	0.554	S	S	*	*	H	α-helix	trans	-119.9	-25.8	-168.9	-64.4	-76.6	0	0	0	115.5	Y50	Y50-F54 AromaticContact CD1-CD2 3.76Å; Y50-F54 HydrophobicContact CD1-CD2 3.76Å; Y50-F54 HydrophobicContact CD1-CE2 4.35Å; Y50-F54 AromaticContact CE1-CD2 3.96Å; Y50-F54 HydrophobicContact CE1-CD2 3.96Å; Y50-F54 HydrophobicContact CE1-CE2 4.25Å; Y50-F54 HydrophobicContact CE2-CE2 4.49Å; Y50-F54 HydrophobicContact CG-CD2 4.13Å; Y50-F54 VanDerWaalsContact O-CB 3.29Å; Y50-F54 WeakPolarHBondContact O-CB 3.47Å; Y50-F54 WeakPolarHBondContact O-CD2 3.22Å; Y50-F54 PolarHBondContact O-N 3.2Å
55	E	34.3	Very low	31.4	Very low	148 Å²	148	101.7 Å²	101.7	69%	0.692	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-26.5	175.3	-69.7	-177	142.8	0	0	112.4	S51 S57	S51-E55 VanDerWaalsContact CB-OE2 3.31Å; S51-E55 WeakPolarHBondContact CB-OE2 3.26Å; S51-E55 WeakPolarHBondContact O-CA 3.03Å; S51-E55 WeakPolarHBondContact O-CB 3.48Å; S51-E55 PolarHBondContact O-N 2.84Å; S51-E55 PolarHBondContact OG-OE2 2.95Å; E55-S57 VanDerWaalsContact C-N 3.35Å; E55-S57 PolarHBondContact O-N 3.46Å; E55-S57 VanDerWaalsContact O-N 3.13Å
56	H	29.7	Very low	30.8	Very low	140 Å²	140	97.8 Å²	97.8	65%	0.648	54%	0.539	S	S	*	.	S	Bend	trans	-84.3	84.7	164.1	-70.7	-67.6	0	0	0	109.5	S51 L58	S51-H56 PolarHBondContact O-N 2.84Å; H56-L58 PolarHBondContact O-N 2.85Å
57	S	29.3	Very low	30.4	Very low	99 Å²	99	97.2 Å²	97.2	69%	0.692	54%	0.543	S	S	*	.	S	Bend	trans	-31.9	110.1	162.6	52.2	0	0	0	0	111.2	E55	E55-S57 VanDerWaalsContact C-N 3.35Å; E55-S57 PolarHBondContact O-N 3.46Å; E55-S57 VanDerWaalsContact O-N 3.13Å
58	L	29.1	Very low	30	Very low	157 Å²	157	101.4 Å²	101.4	82%	0.822	55%	0.554	S	S	*	*			trans	136.8	71.3	167	-73.5	156.7	0	0	0	111.5	H56	H56-L58 PolarHBondContact O-N 2.85Å
59	V	25.8	Very low	29.4	Very low	102 Å²	102	101.1 Å²	101.1	62%	0.618	56%	0.556	S	S	*	*			trans	-123.3	75.9	160.2	-170.8	0	0	0	0	109.4	L53 G61	L53-V59 HydrophobicContact CD2-CG2 4.42Å; V59-G61 PolarHBondContact O-N 2.92Å
60	T	27.5	Very low	29.1	Very low	124 Å²	124	104.7 Å²	104.7	76%	0.761	58%	0.576	S	S	*	*			trans	-76	91.2	163.7	51.1	0	0	0	0	108.5
61	G	26.6	Very low	28.7	Very low	66 Å²	66	102.3 Å²	102.3	68%	0.68	57%	0.571	S	S	*	*			trans	-90.2	8.3	175.5	0	0	0	0	0	114.7	V59	V59-G61 PolarHBondContact O-N 2.92Å
62	V	26.3	Very low	28.3	Very low	81 Å²	81	106.1 Å²	106.1	49%	0.491	60%	0.596	S	S	.	*	S	Bend	trans	-74.3	130.8	166.5	-171.2	0	0	0	0	106.3	S64	V62-S64 PolarHBondContact O-N 2.93Å
63	P	25.6	Very low	28.1	Very low	81 Å²	81	107.6 Å²	107.6	53%	0.526	60%	0.6	S	S	.	*			trans	-48	115.8	167.3	-19.3	28.3	0	0	0	106	V65	P63-V65 PolarHBondContact O-N 3.06Å
64	S	27.4	Very low	28	Very low	55 Å²	55	113.3 Å²	113.3	39%	0.385	62%	0.616	S	S	.	*			trans	-42.5	132.7	-171.8	70.8	0	0	0	0	108.1	V62 S66 S67	V62-S64 PolarHBondContact O-N 2.93Å; S64-S66 WeakPolarHBondContact CB-OG 3.17Å; S64-S66 CarbonylContact O-C 3.52Å; S64-S66 PolarHBondContact O-N 2.64Å; S64-S66 WeakPolarHBondContact OG-CB 2.99Å; S64-S66 PolarHBondContact OG-OG 3.33Å; S64-S67 PolarHBondContact O-N 3.5Å; S64-S67 PolarHBondContact O-OG 3.36Å
65	V	26.1	Very low	28	Very low	95 Å²	95	114.6 Å²	114.6	58%	0.576	62%	0.618	S	S	*	*	H	α-helix	trans	-47.3	-28.4	-179.2	170.9	0	0	0	0	111.1	P63 S67 R68 L69	P63-V65 PolarHBondContact O-N 3.06Å; V65-S67 PolarHBondContact O-N 2.07Å; V65-R68 PolarHBondContact O-N 3.19Å; V65-R68 VanDerWaalsContact O-N 3.16Å; V65-L69 HydrophobicContact CG1-CD1 3.57Å; V65-L69 HydrophobicContact CG1-CG 4.19Å; V65-L69 WeakPolarHBondContact O-CB 3.34Å; V65-L69 PolarHBondContact O-N 3.39Å
66	S	25	Very low	28.3	Very low	28 Å²	28	114.6 Å²	114.6	20%	0.196	61%	0.613	C	S	.	*	H	α-helix	trans	-50.2	-38.1	167	15.2	0	0	0	0	116.9	S64 L69 N70 I71	S64-S66 WeakPolarHBondContact CB-OG 3.17Å; S64-S66 CarbonylContact O-C 3.52Å; S64-S66 PolarHBondContact O-N 2.64Å; S64-S66 WeakPolarHBondContact OG-CB 2.99Å; S64-S66 PolarHBondContact OG-OG 3.33Å; S66-L69 PolarHBondContact O-N 3.32Å; S66-N70 VanDerWaalsContact O-CA 3.3Å; S66-N70 WeakPolarHBondContact O-CA 3.45Å; S66-N70 PolarHBondContact O-N 2.86Å; S66-I71 WeakPolarHBondContact CB-O 3.47Å; S66-I71 PolarHBondContact O-N 3.39Å
67	S	26.1	Very low	28.9	Very low	79 Å²	79	116.2 Å²	116.2	55%	0.552	62%	0.621	S	S	*	*	H	α-helix	trans	-77.1	-21.8	175.9	66.9	0	0	0	0	113.6	S64 V65	S64-S67 PolarHBondContact O-N 3.5Å; S64-S67 PolarHBondContact O-OG 3.36Å; V65-S67 PolarHBondContact O-N 2.07Å
68	R	27.4	Very low	29.6	Very low	216 Å²	216	115.6 Å²	115.6	82%	0.815	61%	0.61	S	S	*	*	H	α-helix	trans	-86.6	-23.3	169.9	-72.3	-168.6	179.3	-165.7	1.2	113.1	V65	V65-R68 PolarHBondContact O-N 3.19Å; V65-R68 VanDerWaalsContact O-N 3.16Å
69	L	27.7	Very low	30.5	Very low	111 Å²	111	115 Å²	115	58%	0.581	60%	0.604	S	S	*	*	H	α-helix	trans	-112.9	5.8	-176.3	-65.6	-178.8	0	0	0	114.9	V65 S66 I71	V65-L69 HydrophobicContact CG1-CD1 3.57Å; V65-L69 HydrophobicContact CG1-CG 4.19Å; V65-L69 WeakPolarHBondContact O-CB 3.34Å; V65-L69 PolarHBondContact O-N 3.39Å; S66-L69 PolarHBondContact O-N 3.32Å; L69-I71 HydrophobicContact CB-CD1 3.82Å; L69-I71 HydrophobicContact CB-CG1 3.84Å; L69-I71 HydrophobicContact CD1-CD1 4.07Å; L69-I71 PolarHBondContact O-N 3.46Å
70	N	27.8	Very low	31.5	Very low	155 Å²	155	116.2 Å²	116.2	83%	0.829	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	53.2	36.3	-174.3	-93.2	-16	0	0	0	113.2	S66	S66-N70 VanDerWaalsContact O-CA 3.3Å; S66-N70 WeakPolarHBondContact O-CA 3.45Å; S66-N70 PolarHBondContact O-N 2.86Å
71	I	25.1	Very low	32.1	Very low	95 Å²	95	115 Å²	115	49%	0.487	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-91.6	125.6	177.2	-56.4	173.2	0	0	0	108.3	S66 L69	S66-I71 WeakPolarHBondContact CB-O 3.47Å; S66-I71 PolarHBondContact O-N 3.39Å; L69-I71 HydrophobicContact CB-CD1 3.82Å; L69-I71 HydrophobicContact CB-CG1 3.84Å; L69-I71 HydrophobicContact CD1-CD1 4.07Å; L69-I71 PolarHBondContact O-N 3.46Å
72	P	26.4	Very low	32.8	Very low	111 Å²	111	115.9 Å²	115.9	72%	0.721	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-67.2	138	178.4	-18.3	30.5	0	0	0	112	R74	P72-R74 PolarHBondContact O-N 3.32Å
73	I	30.7	Very low	33.9	Very low	99 Å²	99	114.8 Å²	114.8	51%	0.508	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-64.7	120	170.7	-59.7	170.6	0	0	0	107.7	Y75	I73-Y75 HydrophobicContact CB-CD2 4.28Å; I73-Y75 HydrophobicContact CB-CE2 3.79Å; I73-Y75 HydrophobicContact CG2-CD2 3.91Å; I73-Y75 HydrophobicContact CG2-CE1 4.38Å; I73-Y75 HydrophobicContact CG2-CE2 3.56Å; I73-Y75 HydrophobicContact CG2-CG 4.46Å; I73-Y75 WeakPolarHBondContact O-CD2 3.46Å; I73-Y75 PolarHBondContact O-N 2.97Å
74	R	30.5	Very low	34.8	Very low	199 Å²	199	114.7 Å²	114.7	75%	0.751	57%	0.568	S	S	*	*			trans	-82.1	103.1	172.4	-69.4	-169.8	-172.5	-150.2	2.8	108.7	P72 Y76	P72-R74 PolarHBondContact O-N 3.32Å; R74-Y76 PolarHBondContact O-N 3.21Å
75	Y	33.8	Very low	35.5	Very low	165 Å²	165	114.5 Å²	114.5	65%	0.647	57%	0.569	S	S	*	*			trans	-78.3	113.6	168.8	-69.1	-91	0	0	0	108.2	I73 E77	I73-Y75 HydrophobicContact CB-CD2 4.28Å; I73-Y75 HydrophobicContact CB-CE2 3.79Å; I73-Y75 HydrophobicContact CG2-CD2 3.91Å; I73-Y75 HydrophobicContact CG2-CE1 4.38Å; I73-Y75 HydrophobicContact CG2-CE2 3.56Å; I73-Y75 HydrophobicContact CG2-CG 4.46Å; I73-Y75 WeakPolarHBondContact O-CD2 3.46Å; I73-Y75 PolarHBondContact O-N 2.97Å; Y75-E77 PolarHBondContact O-N 3.43Å
76	Y	39.4	Very low	36.3	Very low	149 Å²	149	113.2 Å²	113.2	58%	0.584	56%	0.564	S	S	*	*			trans	-78.8	67.6	173.5	-59.4	-84.2	0	0	0	108.8	R74 D78 M81	R74-Y76 PolarHBondContact O-N 3.21Å; Y76-D78 PolarHBondContact O-N 3.46Å; Y76-M81 HydrophobicContact CD1-CE 4.12Å; Y76-M81 HydrophobicContact CD1-SD 4.17Å; Y76-M81 HydrophobicContact CE1-CE 4.08Å
77	E	43.5	Very low	37.4	Very low	173 Å²	173	118.1 Å²	118.1	81%	0.808	58%	0.582	S	S	*	*			trans	-77.3	-11.9	-177.6	-76.4	178.2	-178.1	0	0	113.2	Y75	Y75-E77 PolarHBondContact O-N 3.43Å
78	D	43.8	Very low	38.2	Very low	87 Å²	87	116.8 Å²	116.8	47%	0.465	57%	0.572	S	S	.	*			trans	-98.5	111.3	-176.7	-164.2	-14.9	0	0	0	111.6	Y76 E80 M81 L82	Y76-D78 PolarHBondContact O-N 3.46Å; D78-E80 PolarHBondContact O-N 2.83Å; D78-E80 WeakPolarHBondContact OD1-CB 3.08Å; D78-E80 PolarHBondContact OD1-N 2.89Å; D78-M81 HydrophobicContact CB-CB 4.06Å; D78-M81 WeakPolarHBondContact O-CB 3.49Å; D78-M81 PolarHBondContact O-N 3.09Å; D78-L82 PolarHBondContact O-N 3.28Å
79	M	47.5	Very low	38.7	Very low	143 Å²	143	111.3 Å²	111.3	70%	0.704	56%	0.559	S	S	*	*	H	α-helix	trans	-54.6	-29.5	172.2	-86.9	-72.9	-73.5	0	0	112.3	M81 T83	M79-M81 VanDerWaalsContact C-N 3.34Å; M79-T83 WeakPolarHBondContact O-CB 3.17Å; M79-T83 PolarHBondContact O-N 3.42Å; M79-T83 PolarHBondContact O-OG1 2.85Å
80	E	47.8	Very low	39.5	Very low	129 Å²	129	112.7 Å²	112.7	60%	0.603	56%	0.562	S	S	*	*	H	α-helix	trans	-65.1	-40.4	174.9	-167.2	175.2	172.8	0	0	110.9	D78 T83 N84	D78-E80 PolarHBondContact O-N 2.83Å; D78-E80 WeakPolarHBondContact OD1-CB 3.08Å; D78-E80 PolarHBondContact OD1-N 2.89Å; E80-T83 PolarHBondContact O-N 3.44Å; E80-N84 WeakPolarHBondContact O-CB 3.4Å; E80-N84 PolarHBondContact O-N 3.23Å; E80-N84 PolarHBondContact O-ND2 3.15Å
81	M	40	Very low	40.2	Very low	97 Å²	97	111 Å²	111	48%	0.478	55%	0.549	S	S	.	.	H	α-helix	trans	-68.7	-40.4	179	-160	-177.9	167.5	0	0	111.9	Y76 D78 M79 N84 A85	Y76-M81 HydrophobicContact CD1-CE 4.12Å; Y76-M81 HydrophobicContact CD1-SD 4.17Å; Y76-M81 HydrophobicContact CE1-CE 4.08Å; D78-M81 HydrophobicContact CB-CB 4.06Å; D78-M81 WeakPolarHBondContact O-CB 3.49Å; D78-M81 PolarHBondContact O-N 3.09Å; M79-M81 VanDerWaalsContact C-N 3.34Å; M81-N84 PolarHBondContact O-N 2.97Å; M81-A85 WeakPolarHBondContact O-CB 3.09Å; M81-A85 PolarHBondContact O-N 3.47Å
82	L	40.8	Very low	40.7	Very low	85 Å²	85	112.6 Å²	112.6	45%	0.445	55%	0.549	S	S	.	.	H	α-helix	trans	-62.2	-44.9	171.3	-94.9	158.1	0	0	0	111.7	D78 N84 A85 C86	D78-L82 PolarHBondContact O-N 3.28Å; L82-N84 VanDerWaalsContact C-N 3.33Å; L82-N84 PolarHBondContact O-N 3.31Å; L82-A85 WeakPolarHBondContact O-CB 3.4Å; L82-A85 PolarHBondContact O-N 3.46Å; L82-C86 PolarHBondContact O-N 3.37Å; L82-C86 PolarHBondContact O-SG 3.12Å
83	T	48.6	Very low	41.3	Very low	59 Å²	59	112.9 Å²	112.9	36%	0.362	54%	0.543	S	S	.	.	H	α-helix	trans	-63	-40.9	178.3	-55.8	0	0	0	0	111.2	M79 E80 C86 K87	M79-T83 WeakPolarHBondContact O-CB 3.17Å; M79-T83 PolarHBondContact O-N 3.42Å; M79-T83 PolarHBondContact O-OG1 2.85Å; E80-T83 PolarHBondContact O-N 3.44Å; T83-C86 PolarHBondContact O-N 3.49Å; T83-K87 WeakPolarHBondContact O-CG 3.47Å; T83-K87 PolarHBondContact O-N 3.29Å
84	N	46.3	Very low	41.9	Very low	79 Å²	79	111.2 Å²	111.2	42%	0.422	54%	0.544	S	S	.	.	H	α-helix	trans	-66.3	-37.8	175.4	-72.5	-23.9	0	0	0	112	E80 M81 L82 S88	E80-N84 WeakPolarHBondContact O-CB 3.4Å; E80-N84 PolarHBondContact O-N 3.23Å; E80-N84 PolarHBondContact O-ND2 3.15Å; M81-N84 PolarHBondContact O-N 2.97Å; L82-N84 VanDerWaalsContact C-N 3.33Å; L82-N84 PolarHBondContact O-N 3.31Å; N84-S88 WeakPolarHBondContact O-CB 3.14Å; N84-S88 PolarHBondContact O-N 3.11Å; N84-S88 PolarHBondContact O-OG 3.31Å
85	A	41.5	Very low	42.4	Very low	50 Å²	50	105.7 Å²	105.7	41%	0.413	53%	0.529	S	S	.	.	H	α-helix	trans	-64.4	-43.8	173.5	0	0	0	0	0	111.5	M81 L82 S88 L89	M81-A85 WeakPolarHBondContact O-CB 3.09Å; M81-A85 PolarHBondContact O-N 3.47Å; L82-A85 WeakPolarHBondContact O-CB 3.4Å; L82-A85 PolarHBondContact O-N 3.46Å; A85-S88 PolarHBondContact O-N 3.32Å; A85-L89 WeakPolarHBondContact O-CB 3.5Å; A85-L89 PolarHBondContact O-N 2.83Å
86	C	42.8	Very low	42.4	Very low	69 Å²	69	100.8 Å²	100.8	47%	0.466	52%	0.523	S	S	.	.	H	α-helix	trans	-63	-46.9	176	-73.5	0	0	0	0	112.4	L82 T83 S88 L89 E90	L82-C86 PolarHBondContact O-N 3.37Å; L82-C86 PolarHBondContact O-SG 3.12Å; T83-C86 PolarHBondContact O-N 3.49Å; C86-S88 VanDerWaalsContact C-N 3.3Å; C86-S88 PolarHBondContact O-N 3.15Å; C86-L89 WeakPolarHBondContact O-CB 3.48Å; C86-L89 PolarHBondContact O-N 2.76Å; C86-E90 PolarHBondContact O-N 3.35Å
87	K	48.1	Very low	42.2	Very low	131 Å²	131	97.2 Å²	97.2	57%	0.57	53%	0.531	S	S	*	.	H	α-helix	trans	-61.4	-39.6	175.8	-76.7	-180	178.9	175.6	0	112.3	T83 E90 H91	T83-K87 WeakPolarHBondContact O-CG 3.47Å; T83-K87 PolarHBondContact O-N 3.29Å; K87-E90 PolarHBondContact O-N 3.07Å; K87-H91 WeakPolarHBondContact O-CB 3.32Å; K87-H91 PolarHBondContact O-N 2.95Å
88	S	42.5	Very low	42	Very low	51 Å²	51	93.2 Å²	93.2	36%	0.357	52%	0.522	S	S	.	.	H	α-helix	trans	-61.7	-47.4	174.4	-58.4	0	0	0	0	110	N84 A85 C86 E90 H91 W92	N84-S88 WeakPolarHBondContact O-CB 3.14Å; N84-S88 PolarHBondContact O-N 3.11Å; N84-S88 PolarHBondContact O-OG 3.31Å; A85-S88 PolarHBondContact O-N 3.32Å; C86-S88 VanDerWaalsContact C-N 3.3Å; C86-S88 PolarHBondContact O-N 3.15Å; S88-E90 PolarHBondContact O-N 3.47Å; S88-H91 PolarHBondContact O-N 2.87Å; S88-W92 WeakPolarHBondContact O-CB 3.14Å; S88-W92 PolarHBondContact O-N 2.73Å; S88-W92 PolarHBondContact O-NE1 3.16Å
89	L	39.1	Very low	41.5	Very low	101 Å²	101	94.4 Å²	94.4	53%	0.529	53%	0.528	S	S	.	.	H	α-helix	trans	-56.4	-46.5	175.5	-92.9	155.4	0	0	0	113	A85 C86 W92 I93	A85-L89 WeakPolarHBondContact O-CB 3.5Å; A85-L89 PolarHBondContact O-N 2.83Å; C86-L89 WeakPolarHBondContact O-CB 3.48Å; C86-L89 PolarHBondContact O-N 2.76Å; L89-W92 PolarHBondContact O-N 2.95Å; L89-I93 VanDerWaalsContact O-CG1 3.28Å; L89-I93 WeakPolarHBondContact O-CG1 3.47Å; L89-I93 PolarHBondContact O-N 3.11Å
90	E	43.6	Very low	40.8	Very low	139 Å²	139	96.5 Å²	96.5	65%	0.65	53%	0.533	S	S	*	.	H	α-helix	trans	-62.6	-44.2	178	-73.9	-179.4	167	0	0	112.1	C86 K87 S88 W92 I93 A94	C86-E90 PolarHBondContact O-N 3.35Å; K87-E90 PolarHBondContact O-N 3.07Å; S88-E90 PolarHBondContact O-N 3.47Å; E90-W92 VanDerWaalsContact C-N 3.27Å; E90-W92 PolarHBondContact O-N 3.15Å; E90-I93 PolarHBondContact O-N 3.49Å; E90-A94 PolarHBondContact O-N 2.72Å; E90-A94 VanDerWaalsContact O-N 3.16Å
91	H	41.7	Very low	40	Very low	121 Å²	121	95.2 Å²	95.2	56%	0.56	54%	0.544	S	S	*	.	H	α-helix	trans	-61.3	-39.1	175.6	-167.6	53.6	0	0	0	111.4	K87 S88 A94 D95	K87-H91 WeakPolarHBondContact O-CB 3.32Å; K87-H91 PolarHBondContact O-N 2.95Å; S88-H91 PolarHBondContact O-N 2.87Å; H91-A94 WeakPolarHBondContact O-CB 3.27Å; H91-A94 PolarHBondContact O-N 3.08Å; H91-D95 PolarHBondContact O-N 3.35Å
92	W	36.7	Very low	39.5	Very low	127 Å²	127	97.3 Å²	97.3	48%	0.481	56%	0.557	S	S	.	*	H	α-helix	trans	-73	-34.7	-177.7	-65.3	11.7	0	0	0	112.6	S88 L89 E90 A94 D95 A96 F205	S88-W92 WeakPolarHBondContact O-CB 3.14Å; S88-W92 PolarHBondContact O-N 2.73Å; S88-W92 PolarHBondContact O-NE1 3.16Å; L89-W92 PolarHBondContact O-N 2.95Å; E90-W92 VanDerWaalsContact C-N 3.27Å; E90-W92 PolarHBondContact O-N 3.15Å; W92-A94 VanDerWaalsContact C-N 3.3Å; W92-D95 PolarHBondContact O-N 3.02Å; W92-A96 WeakPolarHBondContact O-CB 3.34Å; W92-A96 PolarHBondContact O-N 2.86Å; W92-F205 WeakPolarHBondContact CH2-O 3.49Å; W92-F205 HydrophobicContact CZ3-CB 4.14Å; W92-F205 VanDerWaalsContact CZ3-O 3.26Å; W92-F205 WeakPolarHBondContact CZ3-O 2.84Å
93	I	39.3	Very low	39.1	Very low	118 Å²	118	100.5 Å²	100.5	61%	0.605	57%	0.574	S	S	*	*	H	α-helix	trans	-63.1	-40.6	171.7	-69.2	164.8	0	0	0	110.1	L89 E90 A96 G97	L89-I93 VanDerWaalsContact O-CG1 3.28Å; L89-I93 WeakPolarHBondContact O-CG1 3.47Å; L89-I93 PolarHBondContact O-N 3.11Å; E90-I93 PolarHBondContact O-N 3.49Å; I93-A96 PolarHBondContact O-N 3.33Å; I93-G97 PolarHBondContact O-N 3.24Å; I93-G97 VanDerWaalsContact O-N 3.14Å
94	A	43.3	Very low	38.2	Very low	63 Å²	63	103.7 Å²	103.7	52%	0.521	59%	0.589	S	S	.	*	H	α-helix	trans	-64.1	-44.3	176.9	0	0	0	0	0	112	E90 H91 W92 G97 S98	E90-A94 PolarHBondContact O-N 2.72Å; E90-A94 VanDerWaalsContact O-N 3.16Å; H91-A94 WeakPolarHBondContact O-CB 3.27Å; H91-A94 PolarHBondContact O-N 3.08Å; W92-A94 VanDerWaalsContact C-N 3.3Å; A94-G97 PolarHBondContact O-N 3.03Å; A94-S98 PolarHBondContact O-N 3.21Å
95	D	40.7	Very low	37.5	Very low	83 Å²	83	106.1 Å²	106.1	44%	0.444	61%	0.607	S	S	.	*	H	α-helix	trans	-63.4	-44.5	176.6	-79.4	-5.5	0	0	0	111.7	H91 W92 G97 S98	H91-D95 PolarHBondContact O-N 3.35Å; W92-D95 PolarHBondContact O-N 3.02Å; D95-G97 VanDerWaalsContact C-N 3.26Å; D95-G97 PolarHBondContact O-N 3.49Å; D95-S98 WeakPolarHBondContact O-CB 3.45Å; D95-S98 PolarHBondContact O-N 2.81Å; D95-S98 PolarHBondContact O-OG 3.49Å
96	A	34	Very low	37.3	Very low	63 Å²	63	111 Å²	111	52%	0.521	61%	0.614	S	S	.	*	H	α-helix	trans	-59.2	-36.6	177.6	0	0	0	0	0	112.6	W92 I93 S98 I99	W92-A96 WeakPolarHBondContact O-CB 3.34Å; W92-A96 PolarHBondContact O-N 2.86Å; I93-A96 PolarHBondContact O-N 3.33Å; A96-S98 PolarHBondContact O-N 3.16Å; A96-I99 PolarHBondContact O-N 2.86Å
97	G	34.8	Very low	36.7	Very low	73 Å²	73	115.7 Å²	115.7	75%	0.753	63%	0.629	S	S	*	*	H	α-helix	trans	-67.5	-18.4	175.8	0	0	0	0	0	114.4	I93 A94 D95	I93-G97 PolarHBondContact O-N 3.24Å; I93-G97 VanDerWaalsContact O-N 3.14Å; A94-G97 PolarHBondContact O-N 3.03Å; D95-G97 VanDerWaalsContact C-N 3.26Å; D95-G97 PolarHBondContact O-N 3.49Å
98	S	38.8	Very low	36	Very low	89 Å²	89	117.8 Å²	117.8	62%	0.622	65%	0.647	S	S	*	*	H	α-helix	trans	-90.5	-12.5	-178	75.7	0	0	0	0	114.4	A94 D95 A96 K100	A94-S98 PolarHBondContact O-N 3.21Å; D95-S98 WeakPolarHBondContact O-CB 3.45Å; D95-S98 PolarHBondContact O-N 2.81Å; D95-S98 PolarHBondContact O-OG 3.49Å; A96-S98 PolarHBondContact O-N 3.16Å; S98-K100 PolarHBondContact O-N 3.4Å
99	I	34.2	Very low	35.5	Very low	112 Å²	112	118.8 Å²	118.8	57%	0.574	65%	0.653	S	S	*	*			trans	-81.5	114.3	-174.2	-58.6	172.1	0	0	0	110.3	A96	A96-I99 PolarHBondContact O-N 2.86Å
100	K	33.4	Very low	35.3	Very low	188 Å²	188	117.3 Å²	117.3	82%	0.817	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-78	144.8	167.6	-75.9	-176.6	176.8	178	0	110.5	S98 L102	S98-K100 PolarHBondContact O-N 3.4Å; K100-L102 PolarHBondContact O-N 3.41Å
101	A	30	Very low	34.7	Very low	102 Å²	102	115.8 Å²	115.8	84%	0.843	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-53.1	130.9	175.5	0	0	0	0	0	111.3
102	L	29.4	Very low	34.5	Very low	140 Å²	140	116.6 Å²	116.6	73%	0.733	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-78.5	148.6	176.6	-85.3	154.4	0	0	0	111.3	K100	K100-L102 PolarHBondContact O-N 3.41Å
103	D	32.2	Very low	34.4	Very low	152 Å²	152	114.9 Å²	114.9	81%	0.813	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-73.5	149.1	175.9	-81.9	-37.7	0	0	0	112.8	V105	D103-V105 VanDerWaalsContact C-N 3.29Å; D103-V105 PolarHBondContact O-N 2.75Å
104	D	30.1	Very low	34.3	Very low	127 Å²	127	118.2 Å²	118.2	68%	0.679	68%	0.68	S	S	*	*	S	Bend	trans	-69.5	46.6	-164.7	-69.7	-42.1	0	0	0	116.8
105	V	32	Very low	34.2	Very low	130 Å²	130	118 Å²	118	79%	0.788	67%	0.67	S	S	*	*			trans	-98.3	97.5	177.1	-170.6	0	0	0	0	110.2	D103	D103-V105 VanDerWaalsContact C-N 3.29Å; D103-V105 PolarHBondContact O-N 2.75Å
106	W	36.5	Very low	34.5	Very low	152 Å²	152	118.2 Å²	118.2	58%	0.576	67%	0.671	S	S	*	*			trans	-102.1	118	178.4	-103.9	-77.4	0	0	0	112.1
107	E	30	Very low	35.6	Very low	167 Å²	167	120.3 Å²	120.3	78%	0.78	67%	0.672	S	S	*	*			trans	-81.5	135.1	162.8	-71.2	-177	161.2	0	0	110.1	C109	E107-C109 VanDerWaalsContact C-N 3.27Å; E107-C109 PolarHBondContact O-N 3.13Å
108	D	33	Very low	36.7	Very low	175 Å²	175	118.3 Å²	118.3	94%	0.936	64%	0.643	S	S	*	*			trans	-62.3	76.6	178.3	-84	-39	0	0	0	112.1	G110	D108-G110 PolarHBondContact O-N 2.81Å; D108-G110 VanDerWaalsContact O-N 3.11Å
109	C	32.9	Very low	37.6	Very low	72 Å²	72	117.5 Å²	117.5	49%	0.486	63%	0.632	S	S	.	*			trans	-76.8	90.5	169.2	-67.6	0	0	0	0	110	E107	E107-C109 VanDerWaalsContact C-N 3.27Å; E107-C109 PolarHBondContact O-N 3.13Å
110	G	35.4	Very low	39	Very low	70 Å²	70	112.2 Å²	112.2	72%	0.722	60%	0.604	S	S	*	*			trans	-86.4	105.8	154	0	0	0	0	0	107.6	D108	D108-G110 PolarHBondContact O-N 2.81Å; D108-G110 VanDerWaalsContact O-N 3.11Å
111	P	31.3	Very low	40.2	Very low	107 Å²	107	104.8 Å²	104.8	70%	0.695	58%	0.575	S	S	*	*				-164	123.9	89	34.9	-10.9	0	0	0	115
112	W	36.3	Very low	41.7	Very low	139 Å²	139	102.2 Å²	102.2	53%	0.527	55%	0.545	S	S	.	.			trans	-122.4	49.4	174.9	-66.6	96.5	0	0	0	113.6	F114 L115 D116 H213	W112-F114 PolarHBondContact O-N 3.28Å; W112-L115 PolarHBondContact O-N 2.82Å; W112-D116 PolarHBondContact O-N 3.48Å; W112-H213 AromaticContact CH2-CD2 3.88Å; W112-H213 HydrophobicContact CZ2-CB 4.16Å; W112-H213 AromaticContact CZ2-CD2 3.41Å; W112-H213 VanDerWaalsContact CZ2-CD2 3.41Å; W112-H213 WeakPolarHBondContact CZ2-CD2 3.25Å; W112-H213 AromaticContact CZ2-CG 3.99Å
113	S	35.5	Very low	43.7	Very low	91 Å²	91	98.4 Å²	98.4	64%	0.636	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-15.5	-172.1	65.3	0	0	0	0	116.3
114	F	37.1	Very low	45.4	Very low	187 Å²	187	96.7 Å²	96.7	82%	0.82	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-38.6	178.6	-179.9	-96.6	0	0	0	112.5	W112	W112-F114 PolarHBondContact O-N 3.28Å
115	L	40	Very low	47.4	Very low	60 Å²	60	93.2 Å²	93.2	31%	0.314	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-16.6	174.4	-76	167.5	0	0	0	112.3	W112 M117 P199	W112-L115 PolarHBondContact O-N 2.82Å; L115-M117 PolarHBondContact O-N 3.12Å; L115-M117 VanDerWaalsContact O-N 3.15Å; L115-P199 HydrophobicContact CD1-CB 3.48Å; L115-P199 VanDerWaalsContact CD1-CB 3.48Å; L115-P199 HydrophobicContact CD1-CG 4.26Å
116	D	48.2	Very low	49.2	Very low	86 Å²	86	95.9 Å²	95.9	46%	0.46	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-3	171.6	-74.5	-25.6	0	0	0	113	W112 S128	W112-D116 PolarHBondContact O-N 3.48Å; D116-S128 WeakPolarHBondContact O-CA 3.41Å; D116-S128 PolarHBondContact O-N 3.19Å
117	M	56.9	Low	50.5	Low	107 Å²	107	90.6 Å²	90.6	53%	0.527	48%	0.479	S	S	.	.			trans	-136.6	84.7	178.2	-68.4	-63.8	-171.3	0	0	111.9	L115 R126 L127	L115-M117 PolarHBondContact O-N 3.12Å; L115-M117 VanDerWaalsContact O-N 3.15Å; M117-R126 HydrophobicContact CB-CB 4.47Å; M117-L127 CarbonylContact C-O 3.45Å; M117-L127 VanDerWaalsContact CA-O 3.27Å; M117-L127 WeakPolarHBondContact CA-O 3.37Å
118	M	58.3	Low	52.1	Low	31 Å²	31	85.2 Å²	85.2	15%	0.153	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	136.9	169.4	-63.5	-69.6	-77.1	0	0	110.4	R126 L127 F132 L235	M118-R126 CarbonylContact O-C 2.92Å; M118-R126 WeakPolarHBondContact O-CA 3.06Å; M118-L127 PolarHBondContact N-O 3.42Å; M118-L127 PolarHBondContact O-N 3.36Å; M118-F132 HydrophobicContact CB-CB 3.78Å; M118-F132 HydrophobicContact CB-CD1 4.28Å; M118-F132 HydrophobicContact CB-CD2 4.04Å; M118-F132 HydrophobicContact CB-CG 3.77Å; M118-F132 HydrophobicContact CE-CD1 4.24Å; M118-F132 HydrophobicContact CE-CE1 4.16Å; M118-F132 HydrophobicContact CG-CB 4.34Å; M118-F132 HydrophobicContact CG-CD1 4.47Å; M118-F132 HydrophobicContact CG-CG 4.38Å; M118-L235 HydrophobicContact CE-CB 4.27Å; M118-L235 HydrophobicContact CE-CD1 3.53Å
119	L	57.1	Low	53.5	Low	73 Å²	73	79 Å²	79	38%	0.382	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	123.6	175.7	-170	70.1	0	0	0	110.1	P121 Q124 R126	L119-P121 WeakPolarHBondContact O-CD 3.46Å; L119-Q124 HydrophobicContact CD1-CB 4.44Å; L119-Q124 WeakPolarHBondContact CD1-O 3.37Å; L119-Q124 VanDerWaalsContact CD2-OE1 3.29Å; L119-R126 HydrophobicContact CD1-CG 3.64Å
120	C	62.7	Low	55.1	Low	0 Å²	0	81.4 Å²	81.4	0%	0	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-69.1	121.7	171.9	-178.3	0	0	0	0	110.1	F122 C123 Q124 V125 H135	C120-F122 PolarHBondContact O-N 2.91Å; C120-C123 VanDerWaalsContact SG-SG 3.69Å; C120-Q124 WeakPolarHBondContact O-CA 3.34Å; C120-Q124 PolarHBondContact O-N 3.08Å; C120-V125 HydrophobicContact CB-CG1 3.74Å; C120-V125 PolarHBondContact N-O 3.48Å; C120-H135 VanDerWaalsContact SG-CD2 3.57Å; C120-H135 PolarHBondContact SG-NE2 3.11Å
121	P	59.1	Low	56.8	Low	33 Å²	33	78.9 Å²	78.9	21%	0.214	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-18.5	-177.6	27.4	-32.9	0	0	0	113.4	L119 Q124 S238 V242	L119-P121 WeakPolarHBondContact O-CD 3.46Å; P121-Q124 PolarHBondContact O-NE2 3.02Å; P121-S238 VanDerWaalsContact CG-OG 3.27Å; P121-S238 WeakPolarHBondContact CG-OG 3.36Å; P121-V242 HydrophobicContact CB-CG2 4.26Å
122	F	61.9	Low	58.5	Low	47 Å²	47	73.8 Å²	73.8	21%	0.206	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-43.2	-178.3	-60.7	-77.9	0	0	0	113.1	C120 L136 C139 V140 V143 F174 C241 V242	C120-F122 PolarHBondContact O-N 2.91Å; F122-L136 HydrophobicContact CD2-CD1 3.93Å; F122-L136 HydrophobicContact CE2-CD1 3.82Å; F122-C139 VanDerWaalsContact CB-SG 3.53Å; F122-V140 HydrophobicContact CD2-CG2 3.66Å; F122-V140 HydrophobicContact CE1-CG2 4.46Å; F122-V140 HydrophobicContact CE2-CG2 3.28Å; F122-V140 HydrophobicContact CG-CG2 4.41Å; F122-V140 HydrophobicContact CZ-CG2 3.75Å; F122-V143 HydrophobicContact CD1-CG2 3.98Å; F122-V143 HydrophobicContact CE1-CG1 4.37Å; F122-V143 HydrophobicContact CE1-CG2 4.45Å; F122-F174 AromaticContact CE2-CE2 3.98Å; F122-F174 HydrophobicContact CE2-CE2 3.98Å; F122-F174 HydrophobicContact CE2-CZ 4.49Å; F122-F174 AromaticContact CZ-CE2 3.89Å; F122-F174 HydrophobicContact CZ-CE2 3.89Å; F122-F174 AromaticContact CZ-CZ 3.94Å; F122-F174 HydrophobicContact CZ-CZ 3.94Å; F122-C241 HydrophobicContact CZ-CB 4.23Å; F122-V242 HydrophobicContact CD1-CG2 3.93Å; F122-V242 HydrophobicContact CE1-CG2 3.52Å; F122-V242 HydrophobicContact CZ-CG2 3.92Å
123	C	70.6	Confident	59.9	Low	60 Å²	60	68.5 Å²	68.5	41%	0.405	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-1	-177.3	71.3	0	0	0	0	114.5	C120 V125 H135 C139	C120-C123 VanDerWaalsContact SG-SG 3.69Å; C123-V125 PolarHBondContact O-N 3.14Å; C123-V125 VanDerWaalsContact O-N 3.17Å; C123-V125 WeakPolarHBondContact SG-CG1 3.38Å; C123-H135 VanDerWaalsContact SG-CE1 3.58Å; C123-H135 PolarHBondContact SG-NE2 2.99Å; C123-C139 VanDerWaalsContact SG-SG 3.69Å
124	Q	68.4	Low	61.7	Low	116 Å²	116	68.5 Å²	68.5	54%	0.542	34%	0.342	S	S	.	.			trans	63.1	16.9	177.7	-52.2	-65.9	-43.4	0	0	114.7	L119 C120 P121	L119-Q124 HydrophobicContact CD1-CB 4.44Å; L119-Q124 WeakPolarHBondContact CD1-O 3.37Å; L119-Q124 VanDerWaalsContact CD2-OE1 3.29Å; C120-Q124 WeakPolarHBondContact O-CA 3.34Å; C120-Q124 PolarHBondContact O-N 3.08Å; P121-Q124 PolarHBondContact O-NE2 3.02Å
125	V	73.1	Confident	63.5	Low	55 Å²	55	61.7 Å²	61.7	33%	0.333	31%	0.313	S	S	.	.			trans	-70.7	138.9	171.4	73.2	0	0	0	0	110.5	C120 C123 L127	C120-V125 HydrophobicContact CB-CG1 3.74Å; C120-V125 PolarHBondContact N-O 3.48Å; C123-V125 PolarHBondContact O-N 3.14Å; C123-V125 VanDerWaalsContact O-N 3.17Å; C123-V125 WeakPolarHBondContact SG-CG1 3.38Å; V125-L127 HydrophobicContact CG1-CD1 3.51Å; V125-L127 HydrophobicContact CG1-CD2 4.4Å; V125-L127 HydrophobicContact CG1-CG 3.78Å; V125-L127 HydrophobicContact CG2-CD2 4.11Å; V125-L127 HydrophobicContact CG2-CG 4.18Å
126	R	68.5	Low	64.9	Low	186 Å²	186	58.9 Å²	58.9	70%	0.702	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	126.4	172.8	-69.2	-176.1	179	-148.7	0.2	109.9	M117 M118 L119	M117-R126 HydrophobicContact CB-CB 4.47Å; M118-R126 CarbonylContact O-C 2.92Å; M118-R126 WeakPolarHBondContact O-CA 3.06Å; L119-R126 HydrophobicContact CD1-CG 3.64Å
127	L	63.3	Low	66	Low	40 Å²	40	55.7 Å²	55.7	21%	0.209	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	152.1	-172.6	-64.3	168.2	0	0	0	111.2	M117 M118 V125 F132 H135	M117-L127 CarbonylContact C-O 3.45Å; M117-L127 VanDerWaalsContact CA-O 3.27Å; M117-L127 WeakPolarHBondContact CA-O 3.37Å; M118-L127 PolarHBondContact N-O 3.42Å; M118-L127 PolarHBondContact O-N 3.36Å; V125-L127 HydrophobicContact CG1-CD1 3.51Å; V125-L127 HydrophobicContact CG1-CD2 4.4Å; V125-L127 HydrophobicContact CG1-CG 3.78Å; V125-L127 HydrophobicContact CG2-CD2 4.11Å; V125-L127 HydrophobicContact CG2-CG 4.18Å; L127-F132 HydrophobicContact CB-CB 4.19Å; L127-H135 HydrophobicContact CD1-CB 3.36Å; L127-H135 VanDerWaalsContact CD1-CG 3.48Å
128	S	65.5	Low	67	Low	55 Å²	55	54.3 Å²	54.3	39%	0.385	28%	0.283	S	S	.	.			trans	-53.7	153.6	164.4	70.1	0	0	0	0	112	D116 H130 G131 F132	D116-S128 WeakPolarHBondContact O-CA 3.41Å; D116-S128 PolarHBondContact O-N 3.19Å; S128-H130 CarbonylContact O-C 3.41Å; S128-H130 PolarHBondContact O-N 2.71Å; S128-H130 VanDerWaalsContact O-N 3.15Å; S128-G131 CarbonylContact O-C 3.57Å; S128-G131 WeakPolarHBondContact O-CA 3.19Å; S128-G131 PolarHBondContact O-N 3.46Å; S128-G131 PolarHBondContact OG-N 3.26Å; S128-G131 VanDerWaalsContact OG-N 3.08Å; S128-F132 WeakPolarHBondContact O-CB 3.24Å; S128-F132 PolarHBondContact O-N 3.06Å
129	M	61.8	Low	67.6	Low	45 Å²	45	54 Å²	54	22%	0.222	28%	0.284	C	S	.	.	H	α-helix	trans	-50	-43.4	177.1	-176.6	-178.8	69.5	0	0	111.4	L133 W228 A231	M129-L133 WeakPolarHBondContact O-CG 3.16Å; M129-L133 PolarHBondContact O-N 3.16Å; M129-L133 VanDerWaalsContact O-N 3.16Å; M129-W228 HydrophobicContact SD-CB 4.35Å; M129-A231 HydrophobicContact CG-CB 3.57Å; M129-A231 HydrophobicContact SD-CB 3.89Å
130	H	65.5	Low	68.2	Low	122 Å²	122	50.7 Å²	50.7	57%	0.565	27%	0.266	S	S	*	.	H	α-helix	trans	-61.6	-54.3	172.9	-173.6	-85.3	0	0	0	111.4	S128 F132 L133 E134	S128-H130 CarbonylContact O-C 3.41Å; S128-H130 PolarHBondContact O-N 2.71Å; S128-H130 VanDerWaalsContact O-N 3.15Å; H130-F132 VanDerWaalsContact C-N 3.26Å; H130-F132 PolarHBondContact O-N 3.41Å; H130-L133 PolarHBondContact O-N 2.82Å; H130-L133 VanDerWaalsContact O-N 3.11Å; H130-E134 IonicContact CE1-OE1 3.16Å; H130-E134 IonicContact CE1-OE2 3.28Å; H130-E134 PolarHBondContact CE1-OE2 2.87Å; H130-E134 IonicContact ND1-OE2 2.82Å; H130-E134 PolarHBondContact ND1-OE2 3.2Å; H130-E134 WeakPolarHBondContact O-CG 3.38Å; H130-E134 PolarHBondContact O-N 2.84Å
131	G	70.8	Confident	68.6	Low	16 Å²	16	52.8 Å²	52.8	17%	0.165	28%	0.28	C	S	.	.	H	α-helix	trans	-57	-37.1	179.3	0	0	0	0	0	113.4	S128 E134 H135	S128-G131 CarbonylContact O-C 3.57Å; S128-G131 WeakPolarHBondContact O-CA 3.19Å; S128-G131 PolarHBondContact O-N 3.46Å; S128-G131 PolarHBondContact OG-N 3.26Å; S128-G131 VanDerWaalsContact OG-N 3.08Å; G131-E134 PolarHBondContact O-N 2.73Å; G131-H135 WeakPolarHBondContact O-CB 3.45Å; G131-H135 PolarHBondContact O-N 3.21Å
132	F	67	Low	69.2	Low	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63	-47.9	175.4	170.8	-103	0	0	0	111.6	M118 L127 S128 H130 E134 H135 L136 A234	M118-F132 HydrophobicContact CB-CB 3.78Å; M118-F132 HydrophobicContact CB-CD1 4.28Å; M118-F132 HydrophobicContact CB-CD2 4.04Å; M118-F132 HydrophobicContact CB-CG 3.77Å; M118-F132 HydrophobicContact CE-CD1 4.24Å; M118-F132 HydrophobicContact CE-CE1 4.16Å; M118-F132 HydrophobicContact CG-CB 4.34Å; M118-F132 HydrophobicContact CG-CD1 4.47Å; M118-F132 HydrophobicContact CG-CG 4.38Å; L127-F132 HydrophobicContact CB-CB 4.19Å; S128-F132 WeakPolarHBondContact O-CB 3.24Å; S128-F132 PolarHBondContact O-N 3.06Å; H130-F132 VanDerWaalsContact C-N 3.26Å; H130-F132 PolarHBondContact O-N 3.41Å; F132-E134 VanDerWaalsContact C-N 3.28Å; F132-E134 PolarHBondContact O-N 2.7Å; F132-H135 PolarHBondContact O-N 3.46Å; F132-L136 HydrophobicContact CE1-CD2 4.4Å; F132-L136 HydrophobicContact CE2-CD1 4.15Å; F132-L136 HydrophobicContact CZ-CD1 4.21Å; F132-L136 HydrophobicContact CZ-CD2 4.12Å; F132-L136 WeakPolarHBondContact O-CB 3.49Å; F132-L136 PolarHBondContact O-N 2.96Å; F132-A234 HydrophobicContact CE1-CB 4.04Å
133	L	67.2	Low	69.4	Low	29 Å²	29	54.5 Å²	54.5	15%	0.152	30%	0.295	C	S	.	.	H	α-helix	trans	-62.8	-34.5	176.7	-70.5	173.8	0	0	0	112.3	M129 H130 P137 V177 Q230 A231 A234	M129-L133 WeakPolarHBondContact O-CG 3.16Å; M129-L133 PolarHBondContact O-N 3.16Å; M129-L133 VanDerWaalsContact O-N 3.16Å; H130-L133 PolarHBondContact O-N 2.82Å; H130-L133 VanDerWaalsContact O-N 3.11Å; L133-P137 VanDerWaalsContact O-CD 3.28Å; L133-P137 WeakPolarHBondContact O-CD 3.44Å; L133-V177 HydrophobicContact CD2-CG1 3.65Å; L133-Q230 HydrophobicContact CD2-CB 4.43Å; L133-A231 HydrophobicContact CD1-CB 4.44Å; L133-A231 HydrophobicContact CD2-CB 4.37Å; L133-A231 HydrophobicContact CG-CB 4.48Å; L133-A234 HydrophobicContact CD2-CB 3.95Å
134	E	73.5	Confident	69.3	Low	91 Å²	91	51.7 Å²	51.7	43%	0.425	28%	0.276	S	S	.	.	H	α-helix	trans	-74.8	-36	175.3	-58.4	-153	109.2	0	0	113.3	H130 G131 F132 R179	H130-E134 IonicContact CE1-OE1 3.16Å; H130-E134 IonicContact CE1-OE2 3.28Å; H130-E134 PolarHBondContact CE1-OE2 2.87Å; H130-E134 IonicContact ND1-OE2 2.82Å; H130-E134 PolarHBondContact ND1-OE2 3.2Å; H130-E134 WeakPolarHBondContact O-CG 3.38Å; H130-E134 PolarHBondContact O-N 2.84Å; G131-E134 PolarHBondContact O-N 2.73Å; F132-E134 VanDerWaalsContact C-N 3.28Å; F132-E134 PolarHBondContact O-N 2.7Å; E134-R179 IonicContact OE1-CZ 3.65Å; E134-R179 IonicContact OE1-NH2 2.69Å; E134-R179 PolarHBondContact OE1-NH2 2.88Å
135	H	74.8	Confident	69.4	Low	44 Å²	44	51 Å²	51	20%	0.204	27%	0.273	C	S	.	.	H	α-helix	trans	-74.3	-40.5	-178.4	171	73.7	0	0	0	112.5	C120 C123 L127 G131 F132 S138 C139	C120-H135 VanDerWaalsContact SG-CD2 3.57Å; C120-H135 PolarHBondContact SG-NE2 3.11Å; C123-H135 VanDerWaalsContact SG-CE1 3.58Å; C123-H135 PolarHBondContact SG-NE2 2.99Å; L127-H135 HydrophobicContact CD1-CB 3.36Å; L127-H135 VanDerWaalsContact CD1-CG 3.48Å; G131-H135 WeakPolarHBondContact O-CB 3.45Å; G131-H135 PolarHBondContact O-N 3.21Å; F132-H135 PolarHBondContact O-N 3.46Å; H135-S138 PolarHBondContact O-N 3.12Å; H135-S138 VanDerWaalsContact O-N 3.07Å; H135-S138 PolarHBondContact O-OG 2.64Å; H135-C139 VanDerWaalsContact NE2-CB 3.35Å; H135-C139 WeakPolarHBondContact NE2-CB 3.44Å; H135-C139 PolarHBondContact O-N 2.92Å; H135-C139 VanDerWaalsContact O-N 3.13Å
136	L	68.8	Low	69.1	Low	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-54	-44.9	-169.6	-167.3	67.8	0	0	0	114	F122 F132 S138 C139 V140 F174 V177 A234	F122-L136 HydrophobicContact CD2-CD1 3.93Å; F122-L136 HydrophobicContact CE2-CD1 3.82Å; F132-L136 HydrophobicContact CE1-CD2 4.4Å; F132-L136 HydrophobicContact CE2-CD1 4.15Å; F132-L136 HydrophobicContact CZ-CD1 4.21Å; F132-L136 HydrophobicContact CZ-CD2 4.12Å; F132-L136 WeakPolarHBondContact O-CB 3.49Å; F132-L136 PolarHBondContact O-N 2.96Å; L136-S138 VanDerWaalsContact C-N 3.32Å; L136-S138 PolarHBondContact O-N 3.39Å; L136-C139 PolarHBondContact O-N 2.84Å; L136-V140 HydrophobicContact CD1-CG2 3.88Å; L136-V140 HydrophobicContact CG-CG2 4.02Å; L136-V140 VanDerWaalsContact O-CB 3.31Å; L136-V140 WeakPolarHBondContact O-CB 3.31Å; L136-V140 WeakPolarHBondContact O-CG2 3.3Å; L136-V140 PolarHBondContact O-N 3.36Å; L136-F174 HydrophobicContact CD2-CD2 4.25Å; L136-F174 HydrophobicContact CG-CD2 4.38Å; L136-V177 HydrophobicContact CB-CG2 4.33Å; L136-V177 HydrophobicContact CD2-CG1 3.9Å; L136-V177 HydrophobicContact CD2-CG2 3.93Å; L136-V177 HydrophobicContact CG-CG2 4.25Å; L136-A234 HydrophobicContact CD2-CB 3.74Å
137	P	71.4	Confident	68.9	Low	19 Å²	19	47.8 Å²	47.8	12%	0.123	26%	0.262	C	S	.	.	H	α-helix	trans	-55.8	-44	177	-26.5	35.5	0	0	0	113.6	L133 C141 V177	L133-P137 VanDerWaalsContact O-CD 3.28Å; L133-P137 WeakPolarHBondContact O-CD 3.44Å; P137-C141 PolarHBondContact O-N 3.26Å; P137-V177 HydrophobicContact CG-CB 4.13Å; P137-V177 HydrophobicContact CG-CG2 3.89Å
138	S	78.6	Confident	69	Low	79 Å²	79	48.5 Å²	48.5	55%	0.552	27%	0.27	S	S	*	.	H	α-helix	trans	-71.5	-36	-178.5	67	0	0	0	0	112.7	H135 L136 V140 P142	H135-S138 PolarHBondContact O-N 3.12Å; H135-S138 VanDerWaalsContact O-N 3.07Å; H135-S138 PolarHBondContact O-OG 2.64Å; L136-S138 VanDerWaalsContact C-N 3.32Å; L136-S138 PolarHBondContact O-N 3.39Å; S138-V140 VanDerWaalsContact C-N 3.34Å; S138-P142 WeakPolarHBondContact O-CD 3.06Å
139	C	70	Confident	69.2	Low	25 Å²	25	52.4 Å²	52.4	17%	0.169	29%	0.285	C	S	.	.	H	α-helix	trans	-75.5	-26.4	-179	-160.5	0	0	0	0	112.9	F122 C123 H135 L136	F122-C139 VanDerWaalsContact CB-SG 3.53Å; C123-C139 VanDerWaalsContact SG-SG 3.69Å; H135-C139 VanDerWaalsContact NE2-CB 3.35Å; H135-C139 WeakPolarHBondContact NE2-CB 3.44Å; H135-C139 PolarHBondContact O-N 2.92Å; H135-C139 VanDerWaalsContact O-N 3.13Å; L136-C139 PolarHBondContact O-N 2.84Å
140	V	69	Low	69.4	Low	3 Å²	3	55 Å²	55	2%	0.018	31%	0.307	C	S	.	.	H	α-helix	trans	-87.4	-34	-176.4	168.4	0	0	0	0	112.5	F122 L136 S138 P142 V143 I144 F174	F122-V140 HydrophobicContact CD2-CG2 3.66Å; F122-V140 HydrophobicContact CE1-CG2 4.46Å; F122-V140 HydrophobicContact CE2-CG2 3.28Å; F122-V140 HydrophobicContact CG-CG2 4.41Å; F122-V140 HydrophobicContact CZ-CG2 3.75Å; L136-V140 HydrophobicContact CD1-CG2 3.88Å; L136-V140 HydrophobicContact CG-CG2 4.02Å; L136-V140 VanDerWaalsContact O-CB 3.31Å; L136-V140 WeakPolarHBondContact O-CB 3.31Å; L136-V140 WeakPolarHBondContact O-CG2 3.3Å; L136-V140 PolarHBondContact O-N 3.36Å; S138-V140 VanDerWaalsContact C-N 3.34Å; V140-P142 VanDerWaalsContact C-CD 3.48Å; V140-P142 VanDerWaalsContact C-N 3.35Å; V140-V143 WeakPolarHBondContact O-CB 3.46Å; V140-V143 PolarHBondContact O-N 3.31Å; V140-I144 HydrophobicContact CG1-CD1 4.2Å; V140-I144 HydrophobicContact CG1-CG1 3.55Å; V140-I144 PolarHBondContact O-N 2.73Å; V140-I144 VanDerWaalsContact O-N 3.07Å; V140-F174 HydrophobicContact CB-CD2 4.26Å; V140-F174 HydrophobicContact CB-CE2 3.94Å; V140-F174 HydrophobicContact CB-CZ 4.48Å; V140-F174 HydrophobicContact CG1-CD1 4.46Å; V140-F174 HydrophobicContact CG1-CD2 3.8Å; V140-F174 HydrophobicContact CG1-CE1 4.1Å; V140-F174 HydrophobicContact CG1-CE2 3.42Å; V140-F174 VanDerWaalsContact CG1-CE2 3.42Å; V140-F174 HydrophobicContact CG1-CG 4.3Å; V140-F174 HydrophobicContact CG1-CZ 3.55Å; V140-F174 HydrophobicContact CG2-CD2 3.74Å; V140-F174 HydrophobicContact CG2-CE2 3.23Å; V140-F174 HydrophobicContact CG2-CZ 4.05Å
141	C	72	Confident	69.4	Low	43 Å²	43	50.8 Å²	50.8	29%	0.291	29%	0.287	S	S	.	.	H	α-helix	trans	-50.6	-47.3	-174	-163.6	0	0	0	0	113.3	P137 V143 I144 E145	P137-C141 PolarHBondContact O-N 3.26Å; C141-V143 VanDerWaalsContact C-N 3.33Å; C141-V143 PolarHBondContact O-N 2.96Å; C141-I144 PolarHBondContact O-N 3.47Å; C141-E145 WeakPolarHBondContact O-CG 3.48Å; C141-E145 PolarHBondContact O-N 2.96Å
142	P	70.6	Confident	69.2	Low	72 Å²	72	51.8 Å²	51.8	47%	0.468	29%	0.286	S	S	.	.	H	α-helix	trans	-62.1	-38.9	178	-21.8	34.4	0	0	0	112.8	S138 V140 I144 E145 E146	S138-P142 WeakPolarHBondContact O-CD 3.06Å; V140-P142 VanDerWaalsContact C-CD 3.48Å; V140-P142 VanDerWaalsContact C-N 3.35Å; P142-I144 VanDerWaalsContact C-N 3.32Å; P142-I144 PolarHBondContact O-N 2.95Å; P142-E145 PolarHBondContact O-N 3.42Å; P142-E146 WeakPolarHBondContact O-CG 3.14Å; P142-E146 PolarHBondContact O-N 3.45Å
143	V	67.2	Low	69.2	Low	44 Å²	44	58.9 Å²	58.9	27%	0.267	32%	0.317	S	S	.	.	H	α-helix	trans	-63.7	-39.6	178.8	179.9	0	0	0	0	111.2	F122 V140 C141 I147 T245	F122-V143 HydrophobicContact CD1-CG2 3.98Å; F122-V143 HydrophobicContact CE1-CG1 4.37Å; F122-V143 HydrophobicContact CE1-CG2 4.45Å; V140-V143 WeakPolarHBondContact O-CB 3.46Å; V140-V143 PolarHBondContact O-N 3.31Å; C141-V143 VanDerWaalsContact C-N 3.33Å; C141-V143 PolarHBondContact O-N 2.96Å; V143-I147 WeakPolarHBondContact O-CG1 3.4Å; V143-T245 HydrophobicContact CG1-CG2 3.75Å
144	I	67.4	Low	69.1	Low	2 Å²	2	61.2 Å²	61.2	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-72.9	-30.8	178.9	-60.5	-57.3	0	0	0	111.9	V140 C141 P142 E146 I147 R152 L159 R172 F174	V140-I144 HydrophobicContact CG1-CD1 4.2Å; V140-I144 HydrophobicContact CG1-CG1 3.55Å; V140-I144 PolarHBondContact O-N 2.73Å; V140-I144 VanDerWaalsContact O-N 3.07Å; C141-I144 PolarHBondContact O-N 3.47Å; P142-I144 VanDerWaalsContact C-N 3.32Å; P142-I144 PolarHBondContact O-N 2.95Å; I144-E146 VanDerWaalsContact C-N 3.33Å; I144-I147 HydrophobicContact CD1-CD1 3.74Å; I144-I147 PolarHBondContact O-N 3.17Å; I144-R152 PolarHBondContact O-NH2 2.98Å; I144-L159 HydrophobicContact CD1-CD2 3.87Å; I144-L159 HydrophobicContact CG1-CD2 4.06Å; I144-L159 HydrophobicContact CG2-CD1 4.38Å; I144-L159 HydrophobicContact CG2-CD2 4.16Å; I144-R172 HydrophobicContact CG2-CB 4.47Å; I144-F174 HydrophobicContact CD1-CE1 4.37Å
145	E	70.8	Confident	68.7	Low	102 Å²	102	57 Å²	57	48%	0.477	31%	0.31	S	S	.	.	H	α-helix	trans	-67.4	-34.1	178.3	-75	179.4	163.7	0	0	112.7	C141 P142 I147 R152	C141-E145 WeakPolarHBondContact O-CG 3.48Å; C141-E145 PolarHBondContact O-N 2.96Å; P142-E145 PolarHBondContact O-N 3.42Å; E145-I147 PolarHBondContact O-N 3.37Å; E145-R152 PolarHBondContact O-NH2 3.33Å
146	E	67.1	Low	68.3	Low	165 Å²	165	60.9 Å²	60.9	77%	0.771	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-18.3	174.3	-64.6	-59.8	144.3	0	0	113.4	P142 I144 P148	P142-E146 WeakPolarHBondContact O-CG 3.14Å; P142-E146 PolarHBondContact O-N 3.45Å; I144-E146 VanDerWaalsContact C-N 3.33Å; E146-P148 WeakPolarHBondContact O-CD 3.44Å
147	I	64.1	Low	68	Low	7 Å²	7	66.1 Å²	66.1	4%	0.036	36%	0.355	C	S	.	.	S	Bend	trans	-76.7	121.5	180	-58.5	166.6	0	0	0	109.6	V143 I144 E145 E151 R152 F155 T245 L248	V143-I147 WeakPolarHBondContact O-CG1 3.4Å; I144-I147 HydrophobicContact CD1-CD1 3.74Å; I144-I147 PolarHBondContact O-N 3.17Å; E145-I147 PolarHBondContact O-N 3.37Å; I147-E151 HydrophobicContact CG2-CB 4.08Å; I147-R152 HydrophobicContact CB-CG 4.27Å; I147-R152 HydrophobicContact CG2-CG 3.8Å; I147-R152 PolarHBondContact O-NE 3.49Å; I147-R152 PolarHBondContact O-NH2 3.28Å; I147-F155 HydrophobicContact CD1-CD1 3.94Å; I147-F155 HydrophobicContact CD1-CD2 4.05Å; I147-F155 HydrophobicContact CD1-CE1 3.56Å; I147-F155 HydrophobicContact CD1-CE2 3.72Å; I147-F155 HydrophobicContact CD1-CG 4.16Å; I147-F155 HydrophobicContact CD1-CZ 3.44Å; I147-F155 VanDerWaalsContact CD1-CZ 3.44Å; I147-F155 HydrophobicContact CG1-CE2 4.41Å; I147-F155 HydrophobicContact CG1-CZ 4.28Å; I147-F155 HydrophobicContact CG2-CD2 4.23Å; I147-F155 HydrophobicContact CG2-CE2 3.94Å; I147-T245 HydrophobicContact CD1-CG2 3.95Å; I147-T245 HydrophobicContact CG1-CG2 4.29Å; I147-L248 HydrophobicContact CG2-CD1 4.11Å
148	P	65.6	Low	67.6	Low	56 Å²	56	65.3 Å²	65.3	36%	0.364	35%	0.35	S	S	.	.			trans	-57.5	142	176.1	-24.2	34.3	0	0	0	112.1	E146 C150 E151 R152	E146-P148 WeakPolarHBondContact O-CD 3.44Å; P148-C150 PolarHBondContact O-N 2.89Å; P148-E151 PolarHBondContact O-N 2.97Å; P148-R152 PolarHBondContact O-N 2.98Å
149	L	69.6	Low	67.2	Low	137 Å²	137	62.3 Å²	62.3	72%	0.717	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-35.5	-178.3	-80.3	158.6	0	0	0	113.7	E151 R152	L149-E151 VanDerWaalsContact C-N 3.35Å; L149-E151 PolarHBondContact O-N 2.74Å; L149-R152 PolarHBondContact O-N 2.62Å
150	C	66.5	Low	67.2	Low	100 Å²	100	61.1 Å²	61.1	68%	0.676	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-30.5	178.5	54.4	0	0	0	0	113.8	P148	P148-C150 PolarHBondContact O-N 2.89Å
151	E	65.6	Low	67.2	Low	32 Å²	32	63.9 Å²	63.9	15%	0.15	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-12.9	-179.4	-62.9	-72.7	-179	0	0	112	I147 P148 L149 K153 N154 L248 K251	I147-E151 HydrophobicContact CG2-CB 4.08Å; P148-E151 PolarHBondContact O-N 2.97Å; L149-E151 VanDerWaalsContact C-N 3.35Å; L149-E151 PolarHBondContact O-N 2.74Å; E151-K153 PolarHBondContact O-N 2.83Å; E151-N154 VanDerWaalsContact O-CB 3.31Å; E151-N154 WeakPolarHBondContact O-CB 3.39Å; E151-N154 PolarHBondContact O-N 2.78Å; E151-N154 VanDerWaalsContact O-N 3.07Å; E151-N154 PolarHBondContact O-ND2 3.48Å; E151-N154 PolarHBondContact OE2-ND2 2.77Å; E151-L248 HydrophobicContact CB-CD1 3.99Å; E151-L248 HydrophobicContact CB-CD2 4.07Å; E151-L248 VanDerWaalsContact CD-CD2 3.5Å; E151-L248 HydrophobicContact CG-CD1 4.45Å; E151-L248 HydrophobicContact CG-CD2 3.79Å; E151-L248 WeakPolarHBondContact OE2-CD2 3.39Å; E151-K251 IonicContact OE1-NZ 3.35Å; E151-K251 PolarHBondContact OE1-NZ 3.5Å
152	R	66.4	Low	67.5	Low	37 Å²	37	65 Å²	65	14%	0.14	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-62.6	-24.3	-179.9	-72.3	-174.6	-171.3	177.5	-2.2	113.9	I144 E145 I147 P148 L149 N154 F155 E156	I144-R152 PolarHBondContact O-NH2 2.98Å; E145-R152 PolarHBondContact O-NH2 3.33Å; I147-R152 HydrophobicContact CB-CG 4.27Å; I147-R152 HydrophobicContact CG2-CG 3.8Å; I147-R152 PolarHBondContact O-NE 3.49Å; I147-R152 PolarHBondContact O-NH2 3.28Å; P148-R152 PolarHBondContact O-N 2.98Å; L149-R152 PolarHBondContact O-N 2.62Å; R152-N154 PolarHBondContact O-N 3.47Å; R152-F155 WeakPolarHBondContact O-CA 3.35Å; R152-F155 WeakPolarHBondContact O-CB 3.1Å; R152-F155 PolarHBondContact O-N 2.86Å; R152-E156 PolarHBondContact O-N 3.38Å
153	K	67.9	Low	67.7	Low	150 Å²	150	66.6 Å²	66.6	65%	0.652	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-56.9	-34.1	173.5	-66	-169.6	174.6	-175.7	0	112.1	E151 F155 E156	E151-K153 PolarHBondContact O-N 2.83Å; K153-F155 PolarHBondContact O-N 2.94Å; K153-F155 VanDerWaalsContact O-N 3.16Å; K153-E156 WeakPolarHBondContact O-CB 3.34Å; K153-E156 WeakPolarHBondContact O-CG 3.27Å; K153-E156 PolarHBondContact O-N 3.38Å
154	N	64.5	Low	68	Low	78 Å²	78	67.7 Å²	67.7	42%	0.417	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-66.1	-17.7	176.6	-56.9	-38.7	0	0	0	112.6	E151 R152 L244	E151-N154 VanDerWaalsContact O-CB 3.31Å; E151-N154 WeakPolarHBondContact O-CB 3.39Å; E151-N154 PolarHBondContact O-N 2.78Å; E151-N154 VanDerWaalsContact O-N 3.07Å; E151-N154 PolarHBondContact O-ND2 3.48Å; E151-N154 PolarHBondContact OE2-ND2 2.77Å; R152-N154 PolarHBondContact O-N 3.47Å; N154-L244 WeakPolarHBondContact O-CD1 3.45Å
155	F	64.8	Low	68.4	Low	1 Å²	1	73.1 Å²	73.1	0%	0.004	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-101.7	0.9	-179.9	-66	-102	0	0	0	112.7	I147 R152 K153 I157 V158 L159 C241 L244 T245 L248	I147-F155 HydrophobicContact CD1-CD1 3.94Å; I147-F155 HydrophobicContact CD1-CD2 4.05Å; I147-F155 HydrophobicContact CD1-CE1 3.56Å; I147-F155 HydrophobicContact CD1-CE2 3.72Å; I147-F155 HydrophobicContact CD1-CG 4.16Å; I147-F155 HydrophobicContact CD1-CZ 3.44Å; I147-F155 VanDerWaalsContact CD1-CZ 3.44Å; I147-F155 HydrophobicContact CG1-CE2 4.41Å; I147-F155 HydrophobicContact CG1-CZ 4.28Å; I147-F155 HydrophobicContact CG2-CD2 4.23Å; I147-F155 HydrophobicContact CG2-CE2 3.94Å; R152-F155 WeakPolarHBondContact O-CA 3.35Å; R152-F155 WeakPolarHBondContact O-CB 3.1Å; R152-F155 PolarHBondContact O-N 2.86Å; K153-F155 PolarHBondContact O-N 2.94Å; K153-F155 VanDerWaalsContact O-N 3.16Å; F155-I157 PolarHBondContact O-N 2.91Å; F155-I157 VanDerWaalsContact O-N 3.14Å; F155-V158 PolarHBondContact O-N 3.14Å; F155-L159 HydrophobicContact CB-CD1 3.63Å; F155-L159 HydrophobicContact CB-CG 3.91Å; F155-L159 WeakPolarHBondContact O-CB 3.39Å; F155-L159 WeakPolarHBondContact O-CG 3.4Å; F155-L159 PolarHBondContact O-N 2.8Å; F155-C241 HydrophobicContact CE1-CB 4.41Å; F155-L244 HydrophobicContact CD1-CB 4.16Å; F155-L244 HydrophobicContact CD1-CD1 3.67Å; F155-L244 HydrophobicContact CD2-CD1 4.32Å; F155-L244 HydrophobicContact CE1-CB 3.35Å; F155-L244 HydrophobicContact CE1-CD1 3.76Å; F155-L244 HydrophobicContact CE1-CG 4.22Å; F155-L244 HydrophobicContact CE2-CB 3.97Å; F155-L244 HydrophobicContact CE2-CD1 4.37Å; F155-L244 HydrophobicContact CG-CD1 3.97Å; F155-L244 HydrophobicContact CZ-CB 3.24Å; F155-L244 HydrophobicContact CZ-CD1 4.13Å; F155-L244 HydrophobicContact CZ-CG 4.31Å; F155-T245 HydrophobicContact CE1-CG2 3.9Å; F155-T245 HydrophobicContact CZ-CG2 3.87Å; F155-L248 HydrophobicContact CE2-CD1 3.74Å; F155-L248 HydrophobicContact CZ-CD1 4.04Å
156	E	66.7	Low	68.7	Low	127 Å²	127	74.1 Å²	74.1	59%	0.593	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-27.5	-179.5	-77.5	174.2	-170.6	0	0	113.2	R152 K153 V158	R152-E156 PolarHBondContact O-N 3.38Å; K153-E156 WeakPolarHBondContact O-CB 3.34Å; K153-E156 WeakPolarHBondContact O-CG 3.27Å; K153-E156 PolarHBondContact O-N 3.38Å; E156-V158 PolarHBondContact O-N 2.71Å
157	I	62.8	Low	69.1	Low	110 Å²	110	69.8 Å²	69.8	56%	0.564	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-24.9	175.5	65.4	174.1	0	0	0	112.9	F155 V240	F155-I157 PolarHBondContact O-N 2.91Å; F155-I157 VanDerWaalsContact O-N 3.14Å; I157-V240 HydrophobicContact CD1-CG1 4.04Å
158	V	61.6	Low	69.4	Low	1 Å²	1	72.1 Å²	72.1	1%	0.006	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-33.9	-175.5	-155.7	0	0	0	0	111.2	F155 E156 F174 R175 D237 V240 L244	F155-V158 PolarHBondContact O-N 3.14Å; E156-V158 PolarHBondContact O-N 2.71Å; V158-F174 HydrophobicContact CB-CD1 3.95Å; V158-F174 HydrophobicContact CB-CE1 3.95Å; V158-F174 HydrophobicContact CG1-CD1 3.27Å; V158-F174 HydrophobicContact CG1-CE1 3.26Å; V158-F174 HydrophobicContact CG1-CG 4.16Å; V158-F174 HydrophobicContact CG1-CZ 4.12Å; V158-F174 CarbonylContact O-C 3.49Å; V158-F174 VanDerWaalsContact O-CA 3.29Å; V158-F174 WeakPolarHBondContact O-CA 3.27Å; V158-F174 WeakPolarHBondContact O-CD1 3.34Å; V158-R175 WeakPolarHBondContact O-CB 3.16Å; V158-R175 PolarHBondContact O-N 3.09Å; V158-D237 HydrophobicContact CG1-CB 3.38Å; V158-D237 WeakPolarHBondContact CG1-O 3.4Å; V158-V240 HydrophobicContact CG2-CB 4.07Å; V158-V240 HydrophobicContact CG2-CG1 3.53Å; V158-L244 HydrophobicContact CG2-CD1 4.47Å
159	L	70.3	Confident	69.8	Low	16 Å²	16	71.9 Å²	71.9	8%	0.084	43%	0.425	C	S	.	.	B	Isolated β-bridge	trans	-79.5	155.5	-179.1	-65.5	175.7	0	0	0	111.4	I144 F155 G161 H173 F174	I144-L159 HydrophobicContact CD1-CD2 3.87Å; I144-L159 HydrophobicContact CG1-CD2 4.06Å; I144-L159 HydrophobicContact CG2-CD1 4.38Å; I144-L159 HydrophobicContact CG2-CD2 4.16Å; F155-L159 HydrophobicContact CB-CD1 3.63Å; F155-L159 HydrophobicContact CB-CG 3.91Å; F155-L159 WeakPolarHBondContact O-CB 3.39Å; F155-L159 WeakPolarHBondContact O-CG 3.4Å; F155-L159 PolarHBondContact O-N 2.8Å; L159-G161 PolarHBondContact O-N 3.33Å; L159-G161 VanDerWaalsContact O-N 3.09Å; L159-H173 CarbonylContact C-O 3.58Å; L159-F174 HydrophobicContact CD2-CD1 4.07Å; L159-F174 HydrophobicContact CD2-CE1 4.34Å
160	C	71.5	Confident	70	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.007	41%	0.412	C	S	.	.			trans	-69.4	105.6	173.6	178.4	0	0	0	0	108.9	H162 C171 H173 C178 H181	C160-H162 PolarHBondContact O-N 3.47Å; C160-C171 HydrophobicContact CB-CB 3.79Å; C160-H173 WeakPolarHBondContact CB-O 3.21Å; C160-H173 PolarHBondContact N-O 3.42Å; C160-C178 HydrophobicContact CB-CB 3.93Å; C160-H181 PolarHBondContact SG-ND1 3.3Å
161	G	68.6	Low	70.4	Confident	61 Å²	61	64.3 Å²	64.3	63%	0.629	39%	0.385	S	S	*	.			trans	-67.4	4.8	179.8	0	0	0	0	0	115.7	L159 I163	L159-G161 PolarHBondContact O-N 3.33Å; L159-G161 VanDerWaalsContact O-N 3.09Å; G161-I163 PolarHBondContact O-N 3.46Å
162	H	77.4	Confident	70.8	Confident	66 Å²	66	68.1 Å²	68.1	31%	0.306	40%	0.398	S	S	.	.			trans	-69.4	129.9	178	-174.3	-89.7	0	0	0	111.3	C160 S170 C171 H181	C160-H162 PolarHBondContact O-N 3.47Å; H162-S170 CarbonylContact O-C 3.57Å; H162-S170 WeakPolarHBondContact O-CA 3.41Å; H162-C171 HydrophobicContact CB-CB 4.32Å; H162-C171 WeakPolarHBondContact O-CB 3.49Å; H162-C171 PolarHBondContact O-N 3.13Å; H162-H181 HydrophobicContact CB-CB 4.27Å; H162-H181 AromaticContact CD2-CD2 3.56Å; H162-H181 AromaticContact CD2-NE2 3.84Å; H162-H181 AromaticContact CE1-CD2 3.83Å; H162-H181 AromaticContact CE1-NE2 3.34Å; H162-H181 PolarHBondContact CE1-NE2 3.06Å; H162-H181 VanDerWaalsContact CE1-NE2 3.34Å; H162-H181 AromaticContact CG-CD2 3.35Å; H162-H181 AromaticContact CG-CE1 3.66Å; H162-H181 AromaticContact CG-CG 3.7Å; H162-H181 AromaticContact CG-ND1 3.85Å; H162-H181 AromaticContact CG-NE2 3.34Å; H162-H181 VanDerWaalsContact CG-NE2 3.34Å; H162-H181 AromaticContact ND1-CD2 3.56Å; H162-H181 AromaticContact ND1-CE1 3.38Å; H162-H181 PolarHBondContact ND1-CE1 3.01Å; H162-H181 AromaticContact ND1-NE2 3.01Å; H162-H181 PolarHBondContact ND1-NE2 3.38Å; H162-H181 AromaticContact NE2-CD2 3.86Å; H162-H181 AromaticContact NE2-NE2 3.85Å
163	I	74.5	Confident	71.2	Confident	106 Å²	106	69.4 Å²	69.4	54%	0.544	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-108.6	125	176.1	-59.4	172.6	0	0	0	108.1	G161 S165	G161-I163 PolarHBondContact O-N 3.46Å; I163-S165 PolarHBondContact O-N 2.97Å
164	N	74.3	Confident	71.1	Confident	66 Å²	66	62.3 Å²	62.3	35%	0.353	37%	0.374	S	S	.	.			trans	-65.7	118.5	174	-179.7	-12	0	0	0	109.2	T166 S167 G168 A169	N164-T166 PolarHBondContact O-N 3.34Å; N164-T166 PolarHBondContact OD1-N 2.8Å; N164-T166 PolarHBondContact OD1-OG1 3.17Å; N164-S167 WeakPolarHBondContact CB-OG 3.28Å; N164-S167 PolarHBondContact ND2-OG 3.05Å; N164-G168 VanDerWaalsContact O-CA 3.27Å; N164-G168 WeakPolarHBondContact O-CA 3.35Å; N164-G168 PolarHBondContact O-N 3.16Å; N164-A169 WeakPolarHBondContact CB-O 3.29Å; N164-A169 PolarHBondContact N-O 3.34Å
165	S	75.8	Confident	71.2	Confident	117 Å²	117	63.6 Å²	63.6	82%	0.818	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-26.9	-177.2	58	0	0	0	0	113.8	I163	I163-S165 PolarHBondContact O-N 2.97Å
166	T	77.1	Confident	71	Confident	123 Å²	123	63.7 Å²	63.7	76%	0.755	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-38.7	-176.3	53.3	0	0	0	0	113.2	N164	N164-T166 PolarHBondContact O-N 3.34Å; N164-T166 PolarHBondContact OD1-N 2.8Å; N164-T166 PolarHBondContact OD1-OG1 3.17Å
167	S	74.8	Confident	70.8	Confident	74 Å²	74	58.3 Å²	58.3	52%	0.517	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-12.4	-179	58.2	0	0	0	0	114	N164 A169	N164-S167 WeakPolarHBondContact CB-OG 3.28Å; N164-S167 PolarHBondContact ND2-OG 3.05Å; S167-A169 PolarHBondContact O-N 3.26Å; S167-A169 VanDerWaalsContact O-N 3.13Å; S167-A169 PolarHBondContact OG-N 3.12Å
168	G	70.8	Confident	71.1	Confident	56 Å²	56	53.2 Å²	53.2	58%	0.577	32%	0.324	S	S	*	.			trans	66.2	3.9	-170.5	0	0	0	0	0	113.8	N164	N164-G168 VanDerWaalsContact O-CA 3.27Å; N164-G168 WeakPolarHBondContact O-CA 3.35Å; N164-G168 PolarHBondContact O-N 3.16Å
169	A	74.4	Confident	71.4	Confident	50 Å²	50	60.5 Å²	60.5	41%	0.413	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-79.3	128.4	-177.9	0	0	0	0	0	110.8	N164 S167	N164-A169 WeakPolarHBondContact CB-O 3.29Å; N164-A169 PolarHBondContact N-O 3.34Å; S167-A169 PolarHBondContact O-N 3.26Å; S167-A169 VanDerWaalsContact O-N 3.13Å; S167-A169 PolarHBondContact OG-N 3.12Å
170	S	73.4	Confident	71.4	Confident	64 Å²	64	65.6 Å²	65.6	45%	0.448	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-72.1	140.5	170	62.4	0	0	0	0	111	H162 R172	H162-S170 CarbonylContact O-C 3.57Å; H162-S170 WeakPolarHBondContact O-CA 3.41Å; S170-R172 PolarHBondContact O-N 2.72Å
171	C	75.9	Confident	71.4	Confident	15 Å²	15	66.6 Å²	66.6	10%	0.101	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-61.4	131.3	172.8	-171	0	0	0	0	109.6	C160 H162 H173	C160-C171 HydrophobicContact CB-CB 3.79Å; H162-C171 HydrophobicContact CB-CB 4.32Å; H162-C171 WeakPolarHBondContact O-CB 3.49Å; H162-C171 PolarHBondContact O-N 3.13Å; C171-H173 PolarHBondContact SG-ND1 3.07Å; C171-H173 VanDerWaalsContact SG-ND1 3.41Å
172	R	74.1	Confident	71	Confident	112 Å²	112	70.6 Å²	70.6	42%	0.423	38%	0.375	S	S	.	.			trans	-98.3	2.2	-175.7	-58	-177.3	-173.8	177.6	1.8	113.7	I144 S170	I144-R172 HydrophobicContact CG2-CB 4.47Å; S170-R172 PolarHBondContact O-N 2.72Å
173	H	73.2	Confident	70.1	Confident	63 Å²	63	73.3 Å²	73.3	29%	0.292	39%	0.388	S	S	.	.	S	Bend	trans	-78	154.5	176.7	-64	104.2	0	0	0	110.8	L159 C160 C171 C178	L159-H173 CarbonylContact C-O 3.58Å; C160-H173 WeakPolarHBondContact CB-O 3.21Å; C160-H173 PolarHBondContact N-O 3.42Å; C171-H173 PolarHBondContact SG-ND1 3.07Å; C171-H173 VanDerWaalsContact SG-ND1 3.41Å; H173-C178 HydrophobicContact CB-CB 3.91Å
174	F	66.3	Low	69.3	Low	1 Å²	1	72.6 Å²	72.6	0%	0.004	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-62.6	140.5	167.8	-77.2	-40.1	0	0	0	111.7	F122 L136 V140 I144 V158 L159 A176 V177 C178 C241	F122-F174 AromaticContact CE2-CE2 3.98Å; F122-F174 HydrophobicContact CE2-CE2 3.98Å; F122-F174 HydrophobicContact CE2-CZ 4.49Å; F122-F174 AromaticContact CZ-CE2 3.89Å; F122-F174 HydrophobicContact CZ-CE2 3.89Å; F122-F174 AromaticContact CZ-CZ 3.94Å; F122-F174 HydrophobicContact CZ-CZ 3.94Å; L136-F174 HydrophobicContact CD2-CD2 4.25Å; L136-F174 HydrophobicContact CG-CD2 4.38Å; V140-F174 HydrophobicContact CB-CD2 4.26Å; V140-F174 HydrophobicContact CB-CE2 3.94Å; V140-F174 HydrophobicContact CB-CZ 4.48Å; V140-F174 HydrophobicContact CG1-CD1 4.46Å; V140-F174 HydrophobicContact CG1-CD2 3.8Å; V140-F174 HydrophobicContact CG1-CE1 4.1Å; V140-F174 HydrophobicContact CG1-CE2 3.42Å; V140-F174 VanDerWaalsContact CG1-CE2 3.42Å; V140-F174 HydrophobicContact CG1-CG 4.3Å; V140-F174 HydrophobicContact CG1-CZ 3.55Å; V140-F174 HydrophobicContact CG2-CD2 3.74Å; V140-F174 HydrophobicContact CG2-CE2 3.23Å; V140-F174 HydrophobicContact CG2-CZ 4.05Å; I144-F174 HydrophobicContact CD1-CE1 4.37Å; V158-F174 HydrophobicContact CB-CD1 3.95Å; V158-F174 HydrophobicContact CB-CE1 3.95Å; V158-F174 HydrophobicContact CG1-CD1 3.27Å; V158-F174 HydrophobicContact CG1-CE1 3.26Å; V158-F174 HydrophobicContact CG1-CG 4.16Å; V158-F174 HydrophobicContact CG1-CZ 4.12Å; V158-F174 CarbonylContact O-C 3.49Å; V158-F174 VanDerWaalsContact O-CA 3.29Å; V158-F174 WeakPolarHBondContact O-CA 3.27Å; V158-F174 WeakPolarHBondContact O-CD1 3.34Å; L159-F174 HydrophobicContact CD2-CD1 4.07Å; L159-F174 HydrophobicContact CD2-CE1 4.34Å; F174-A176 PolarHBondContact O-N 2.86Å; F174-V177 HydrophobicContact CB-CG2 3.87Å; F174-V177 CarbonylContact O-C 3.59Å; F174-V177 PolarHBondContact O-N 3.29Å; F174-V177 VanDerWaalsContact O-N 3.12Å; F174-C178 WeakPolarHBondContact O-CA 3.29Å; F174-C178 VanDerWaalsContact O-CB 3.27Å; F174-C178 WeakPolarHBondContact O-CB 3.14Å; F174-C178 PolarHBondContact O-N 3.46Å; F174-C241 HydrophobicContact CE1-CB 3.6Å; F174-C241 HydrophobicContact CE2-CB 4.4Å; F174-C241 HydrophobicContact CZ-CB 3.25Å; F174-C241 VanDerWaalsContact CZ-SG 3.54Å
175	R	67.9	Low	68.4	Low	106 Å²	106	70.2 Å²	70.2	40%	0.4	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-48	-45.3	174	-175.4	176.5	175.5	162	1.1	110.8	V158 V177 N185	V158-R175 WeakPolarHBondContact O-CB 3.16Å; V158-R175 PolarHBondContact O-N 3.09Å; R175-V177 VanDerWaalsContact C-N 3.33Å; R175-V177 PolarHBondContact O-N 2.99Å; R175-N185 HydrophobicContact CG-CB 3.56Å; R175-N185 VanDerWaalsContact CG-CG 3.41Å; R175-N185 PolarHBondContact NE-O 2.78Å; R175-N185 PolarHBondContact NH2-O 3.37Å; R175-N185 VanDerWaalsContact NH2-O 3.11Å; R175-N185 WeakPolarHBondContact O-CB 3.12Å; R175-N185 PolarHBondContact O-ND2 3.31Å; R175-N185 VanDerWaalsContact O-ND2 3.11Å
176	A	58.7	Low	67.3	Low	2 Å²	2	66 Å²	66	2%	0.017	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-66.7	-26.5	-176.1	0	0	0	0	0	116.3	F174 F186 R233 A234 D237	F174-A176 PolarHBondContact O-N 2.86Å; A176-F186 VanDerWaalsContact CA-CZ 3.45Å; A176-F186 HydrophobicContact CB-CZ 4.02Å; A176-F186 WeakPolarHBondContact O-CE2 3.37Å; A176-F186 WeakPolarHBondContact O-CZ 3.37Å; A176-R233 HydrophobicContact CB-CB 4.23Å; A176-R233 HydrophobicContact CB-CG 3.84Å; A176-A234 VanDerWaalsContact CB-CA 3.48Å; A176-A234 HydrophobicContact CB-CB 3.92Å; A176-D237 HydrophobicContact CB-CB 4.32Å; A176-D237 VanDerWaalsContact CB-OD2 3.24Å; A176-D237 WeakPolarHBondContact CB-OD2 3.48Å; A176-D237 PolarHBondContact N-OD2 3.3Å
177	V	62.8	Low	65.8	Low	15 Å²	15	64.3 Å²	64.3	9%	0.091	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-129.1	12.1	-174.2	-65.2	0	0	0	0	113	L133 L136 P137 F174 R175 R179 A234	L133-V177 HydrophobicContact CD2-CG1 3.65Å; L136-V177 HydrophobicContact CB-CG2 4.33Å; L136-V177 HydrophobicContact CD2-CG1 3.9Å; L136-V177 HydrophobicContact CD2-CG2 3.93Å; L136-V177 HydrophobicContact CG-CG2 4.25Å; P137-V177 HydrophobicContact CG-CB 4.13Å; P137-V177 HydrophobicContact CG-CG2 3.89Å; F174-V177 HydrophobicContact CB-CG2 3.87Å; F174-V177 CarbonylContact O-C 3.59Å; F174-V177 PolarHBondContact O-N 3.29Å; F174-V177 VanDerWaalsContact O-N 3.12Å; R175-V177 VanDerWaalsContact C-N 3.33Å; R175-V177 PolarHBondContact O-N 2.99Å; V177-R179 PolarHBondContact O-N 3.29Å; V177-A234 HydrophobicContact CG1-CB 3.57Å
178	C	70.3	Confident	64.5	Low	2 Å²	2	66.2 Å²	66.2	1%	0.014	34%	0.343	C	S	.	.			trans	-65.4	106.2	176.6	-177.4	0	0	0	0	109.5	C160 H173 F174 E180 H181 R182	C160-C178 HydrophobicContact CB-CB 3.93Å; H173-C178 HydrophobicContact CB-CB 3.91Å; F174-C178 WeakPolarHBondContact O-CA 3.29Å; F174-C178 VanDerWaalsContact O-CB 3.27Å; F174-C178 WeakPolarHBondContact O-CB 3.14Å; F174-C178 PolarHBondContact O-N 3.46Å; C178-E180 VanDerWaalsContact C-N 3.29Å; C178-E180 PolarHBondContact O-N 3.2Å; C178-H181 PolarHBondContact SG-N 3.32Å; C178-H181 VanDerWaalsContact SG-N 3.42Å; C178-H181 PolarHBondContact SG-ND1 3.08Å; C178-R182 WeakPolarHBondContact O-CA 3.14Å; C178-R182 WeakPolarHBondContact O-CB 3.36Å; C178-R182 PolarHBondContact O-N 3.29Å
179	R	67	Low	63.2	Low	155 Å²	155	68 Å²	68	59%	0.585	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-37.1	-180	-69.1	-175.2	173	-157.4	-8.3	112.1	E134 V177	E134-R179 IonicContact OE1-CZ 3.65Å; E134-R179 IonicContact OE1-NH2 2.69Å; E134-R179 PolarHBondContact OE1-NH2 2.88Å; V177-R179 PolarHBondContact O-N 3.29Å
180	E	69.9	Low	61.9	Low	123 Å²	123	68 Å²	68	58%	0.575	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-41.8	-177.8	-62.3	178.9	160.3	0	0	112.2	C178 H183	C178-E180 VanDerWaalsContact C-N 3.29Å; C178-E180 PolarHBondContact O-N 3.2Å; E180-H183 PolarHBondContact O-CE1 3.49Å
181	H	71.4	Confident	60.7	Low	22 Å²	22	70.7 Å²	70.7	10%	0.102	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117	20.6	-170.1	-49.4	108.6	0	0	0	113.6	C160 H162 C178 H183 I184 N185	C160-H181 PolarHBondContact SG-ND1 3.3Å; H162-H181 HydrophobicContact CB-CB 4.27Å; H162-H181 AromaticContact CD2-CD2 3.56Å; H162-H181 AromaticContact CD2-NE2 3.84Å; H162-H181 AromaticContact CE1-CD2 3.83Å; H162-H181 AromaticContact CE1-NE2 3.34Å; H162-H181 PolarHBondContact CE1-NE2 3.06Å; H162-H181 VanDerWaalsContact CE1-NE2 3.34Å; H162-H181 AromaticContact CG-CD2 3.35Å; H162-H181 AromaticContact CG-CE1 3.66Å; H162-H181 AromaticContact CG-CG 3.7Å; H162-H181 AromaticContact CG-ND1 3.85Å; H162-H181 AromaticContact CG-NE2 3.34Å; H162-H181 VanDerWaalsContact CG-NE2 3.34Å; H162-H181 AromaticContact ND1-CD2 3.56Å; H162-H181 AromaticContact ND1-CE1 3.38Å; H162-H181 PolarHBondContact ND1-CE1 3.01Å; H162-H181 AromaticContact ND1-NE2 3.01Å; H162-H181 PolarHBondContact ND1-NE2 3.38Å; H162-H181 AromaticContact NE2-CD2 3.86Å; H162-H181 AromaticContact NE2-NE2 3.85Å; C178-H181 PolarHBondContact SG-N 3.32Å; C178-H181 VanDerWaalsContact SG-N 3.42Å; C178-H181 PolarHBondContact SG-ND1 3.08Å; H181-H183 PolarHBondContact O-N 2.99Å; H181-H183 VanDerWaalsContact O-N 3.08Å; H181-I184 HydrophobicContact CB-CD1 4.21Å; H181-I184 HydrophobicContact CB-CG1 4.5Å; H181-I184 PolarHBondContact O-N 2.8Å; H181-N185 PolarHBondContact O-N 2.9Å; H181-N185 VanDerWaalsContact O-N 3.14Å
182	R	60.9	Low	59.4	Low	145 Å²	145	71.5 Å²	71.5	55%	0.547	36%	0.36	S	S	.	.	H	α-helix	trans	-49.9	-37.2	-180	65.1	-177	-177.9	179.4	-0.9	114	C178 I184 N185 F186	C178-R182 WeakPolarHBondContact O-CA 3.14Å; C178-R182 WeakPolarHBondContact O-CB 3.36Å; C178-R182 PolarHBondContact O-N 3.29Å; R182-I184 VanDerWaalsContact C-N 3.32Å; R182-I184 PolarHBondContact O-N 3.24Å; R182-N185 PolarHBondContact O-N 3.33Å; R182-F186 PolarHBondContact O-N 2.8Å; R182-F186 VanDerWaalsContact O-N 3.15Å
183	H	57.8	Low	58.3	Low	122 Å²	122	71.9 Å²	71.9	57%	0.565	38%	0.375	S	S	*	.	H	α-helix	trans	-73.9	-22.5	-176.5	59.9	-83	0	0	0	113.1	E180 H181	E180-H183 PolarHBondContact O-CE1 3.49Å; H181-H183 PolarHBondContact O-N 2.99Å; H181-H183 VanDerWaalsContact O-N 3.08Å
184	I	58.5	Low	57.2	Low	92 Å²	92	73.4 Å²	73.4	47%	0.472	38%	0.382	S	S	.	.	H	α-helix	trans	-85.2	-41.5	175.5	-51.8	-179	0	0	0	109.5	H181 R182	H181-I184 HydrophobicContact CB-CD1 4.21Å; H181-I184 HydrophobicContact CB-CG1 4.5Å; H181-I184 PolarHBondContact O-N 2.8Å; R182-I184 VanDerWaalsContact C-N 3.32Å; R182-I184 PolarHBondContact O-N 3.24Å
185	N	55.8	Low	56.5	Low	16 Å²	16	78.6 Å²	78.6	9%	0.086	41%	0.408	C	S	.	.	H	α-helix	trans	-78.1	-29.8	-169.3	-71.5	-22.6	0	0	0	113.6	R175 H181 R182	R175-N185 HydrophobicContact CG-CB 3.56Å; R175-N185 VanDerWaalsContact CG-CG 3.41Å; R175-N185 PolarHBondContact NE-O 2.78Å; R175-N185 PolarHBondContact NH2-O 3.37Å; R175-N185 VanDerWaalsContact NH2-O 3.11Å; R175-N185 WeakPolarHBondContact O-CB 3.12Å; R175-N185 PolarHBondContact O-ND2 3.31Å; R175-N185 VanDerWaalsContact O-ND2 3.11Å; H181-N185 PolarHBondContact O-N 2.9Å; H181-N185 VanDerWaalsContact O-N 3.14Å; R182-N185 PolarHBondContact O-N 3.33Å
186	F	51.7	Low	55.7	Low	27 Å²	27	73.6 Å²	73.6	12%	0.118	39%	0.389	C	S	.	.	S	Bend	trans	-117.6	126.6	178.6	-69	-87.6	0	0	0	110.4	A176 R182 S188 Q230 R233	A176-F186 VanDerWaalsContact CA-CZ 3.45Å; A176-F186 HydrophobicContact CB-CZ 4.02Å; A176-F186 WeakPolarHBondContact O-CE2 3.37Å; A176-F186 WeakPolarHBondContact O-CZ 3.37Å; R182-F186 PolarHBondContact O-N 2.8Å; R182-F186 VanDerWaalsContact O-N 3.15Å; F186-S188 PolarHBondContact O-N 3.07Å; F186-Q230 HydrophobicContact CD1-CG 4.21Å; F186-Q230 HydrophobicContact CD2-CG 4.43Å; F186-Q230 HydrophobicContact CE1-CG 3.85Å; F186-Q230 HydrophobicContact CE2-CG 4.09Å; F186-Q230 HydrophobicContact CG-CG 4.47Å; F186-Q230 HydrophobicContact CZ-CB 4.41Å; F186-Q230 HydrophobicContact CZ-CG 3.75Å; F186-R233 HydrophobicContact CE1-CB 4.09Å; F186-R233 HydrophobicContact CE1-CG 4.11Å; F186-R233 HydrophobicContact CZ-CB 4.25Å; F186-R233 HydrophobicContact CZ-CG 4.14Å
187	P	46.9	Very low	55.2	Low	89 Å²	89	74.1 Å²	74.1	58%	0.578	40%	0.396	S	S	*	.			trans	-57.7	128.2	171.7	-6.8	16.4	0	0	0	108.8	S189	P187-S189 PolarHBondContact O-N 3.25Å
188	S	47.5	Very low	54.4	Low	113 Å²	113	75.7 Å²	75.7	79%	0.79	40%	0.4	S	S	*	.	S	Bend	trans	-64.7	-22.7	172.9	-32.9	0	0	0	0	111.3	F186	F186-S188 PolarHBondContact O-N 3.07Å
189	S	42.6	Very low	53.2	Low	93 Å²	93	76.5 Å²	76.5	65%	0.65	41%	0.405	S	S	*	.			trans	-121.4	95.4	-179.4	57.6	0	0	0	0	109.2	P187	P187-S189 PolarHBondContact O-N 3.25Å
190	L	47.6	Very low	52	Low	50 Å²	50	75.4 Å²	75.4	26%	0.262	40%	0.402	S	S	.	.	S	Bend	trans	-63.8	140.4	141.9	-73.6	130.1	0	0	0	105.8	G192 C219	L190-G192 PolarHBondContact O-N 3.17Å; L190-C219 HydrophobicContact CB-CB 4.32Å
191	D	49	Very low	50.5	Low	122 Å²	122	71.2 Å²	71.2	65%	0.652	39%	0.385	S	S	*	.			trans	-45.1	117.1	173.2	-91.4	-28.7	0	0	0	107.4	T193 Q194	D191-T193 PolarHBondContact O-N 3.46Å; D191-Q194 PolarHBondContact O-N 2.9Å
192	G	47.9	Very low	48.8	Very low	32 Å²	32	77.5 Å²	77.5	33%	0.33	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	4.4	-164.3	0	0	0	0	0	114.2	L190 P218 S220	L190-G192 PolarHBondContact O-N 3.17Å; G192-P218 WeakPolarHBondContact O-CB 3.36Å; G192-S220 PolarHBondContact O-OG 3.16Å
193	T	50.8	Low	47.5	Very low	120 Å²	120	75.6 Å²	75.6	74%	0.736	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-18.3	176.5	56	0	0	0	0	113.5	D191	D191-T193 PolarHBondContact O-N 3.46Å
194	Q	50.1	Low	46.2	Very low	95 Å²	95	70.6 Å²	70.6	44%	0.444	39%	0.389	S	S	.	.	S	Bend	trans	-65.8	137.8	175.6	-67.1	-172.9	-3.4	0	0	109.8	D191 P218 C219	D191-Q194 PolarHBondContact O-N 2.9Å; Q194-P218 CarbonylContact O-C 3.6Å; Q194-P218 VanDerWaalsContact O-CA 3.26Å; Q194-P218 WeakPolarHBondContact O-CA 3.35Å; Q194-C219 PolarHBondContact O-N 3.42Å; Q194-C219 PolarHBondContact O-SG 3.41Å
195	I	51	Low	45.1	Very low	109 Å²	109	72.5 Å²	72.5	56%	0.559	39%	0.394	S	S	*	.	B	Isolated β-bridge	trans	-73.9	139.6	175.4	52.4	172.1	0	0	0	110.5	G197	I195-G197 VanDerWaalsContact C-N 3.27Å; I195-G197 PolarHBondContact O-N 3.35Å
196	C	51.6	Low	44.1	Very low	1 Å²	1	78 Å²	78	1%	0.007	42%	0.423	C	S	.	.			trans	-57.7	-40.6	-177.7	177.7	0	0	0	0	111.4	Y198 C215 L217 C222 H225	C196-Y198 PolarHBondContact O-N 2.74Å; C196-Y198 WeakPolarHBondContact SG-CB 3.35Å; C196-C215 CarbonylContact C-O 3.59Å; C196-C215 HydrophobicContact CB-CB 3.88Å; C196-C215 WeakPolarHBondContact CB-O 3.34Å; C196-C215 VanDerWaalsContact SG-SG 3.69Å; C196-L217 WeakPolarHBondContact CA-O 3.48Å; C196-L217 WeakPolarHBondContact CB-O 3.42Å; C196-L217 PolarHBondContact N-O 2.77Å; C196-C222 HydrophobicContact CB-CB 3.45Å; C196-C222 VanDerWaalsContact CB-CB 3.45Å; C196-C222 WeakPolarHBondContact CB-SG 3.38Å; C196-C222 WeakPolarHBondContact SG-CB 3.43Å; C196-C222 CovalentContact SG-SG 2.07Å; C196-C222 PolarHBondContact SG-SG 3.45Å; C196-H225 HydrophobicContact CB-CB 4.29Å; C196-H225 PolarHBondContact O-CE1 3.32Å; C196-H225 PolarHBondContact O-ND1 3.18Å; C196-H225 WeakPolarHBondContact SG-CB 3.45Å
197	G	47.5	Very low	43.1	Very low	14 Å²	14	81.3 Å²	81.3	14%	0.144	44%	0.438	C	S	.	.			trans	53.5	22	179.4	0	0	0	0	0	113.8	I195 P199 Y200 C215	I195-G197 VanDerWaalsContact C-N 3.27Å; I195-G197 PolarHBondContact O-N 3.35Å; G197-P199 CarbonylContact O-C 3.51Å; G197-Y200 WeakPolarHBondContact O-CA 3.4Å; G197-Y200 PolarHBondContact O-N 3.49Å; G197-C215 WeakPolarHBondContact CA-O 3.31Å; G197-C215 PolarHBondContact N-O 3.07Å
198	Y	47.1	Very low	42.6	Very low	48 Å²	48	80.3 Å²	80.3	19%	0.188	43%	0.432	C	S	.	.			trans	-90.5	133.2	-178.3	172.4	-92.9	0	0	0	111.6	C196 A214 C215 R224 W228	C196-Y198 PolarHBondContact O-N 2.74Å; C196-Y198 WeakPolarHBondContact SG-CB 3.35Å; Y198-A214 CarbonylContact O-C 3.59Å; Y198-C215 VanDerWaalsContact O-CB 3.22Å; Y198-C215 WeakPolarHBondContact O-CB 3.35Å; Y198-C215 PolarHBondContact O-N 3.36Å; Y198-R224 HydrophobicContact CD1-CB 3.6Å; Y198-R224 HydrophobicContact CD1-CG 4.34Å; Y198-R224 HydrophobicContact CE1-CB 3.9Å; Y198-R224 HydrophobicContact CE1-CG 4.3Å; Y198-R224 HydrophobicContact CG-CB 3.97Å; Y198-W228 HydrophobicContact CD2-CB 3.31Å; Y198-W228 AromaticContact CD2-CD1 3.61Å; Y198-W228 HydrophobicContact CD2-CD2 4.34Å; Y198-W228 AromaticContact CD2-CG 3.43Å; Y198-W228 HydrophobicContact CD2-CG 3.43Å; Y198-W228 VanDerWaalsContact CD2-CG 3.43Å; Y198-W228 HydrophobicContact CE2-CB 3.58Å; Y198-W228 AromaticContact CE2-CD1 3.48Å; Y198-W228 VanDerWaalsContact CE2-CD1 3.48Å; Y198-W228 AromaticContact CE2-CG 3.71Å; Y198-W228 HydrophobicContact CE2-CG 3.71Å; Y198-W228 HydrophobicContact CG-CB 4.48Å
199	P	44.5	Very low	42.1	Very low	19 Å²	19	80.1 Å²	80.1	12%	0.123	42%	0.417	C	S	.	.	S	Bend	cis	-65.7	144.2	-11.7	29.6	-33.9	0	0	0	109.2	L115 G197 V201	L115-P199 HydrophobicContact CD1-CB 3.48Å; L115-P199 VanDerWaalsContact CD1-CB 3.48Å; L115-P199 HydrophobicContact CD1-CG 4.26Å; G197-P199 CarbonylContact O-C 3.51Å; P199-V201 VanDerWaalsContact C-N 3.32Å; P199-V201 PolarHBondContact O-N 2.76Å
200	Y	41.4	Very low	42.1	Very low	132 Å²	132	81 Å²	81	52%	0.518	42%	0.423	S	S	.	.			trans	-66.3	107	170.4	-151.8	-92.2	0	0	0	105	G197 F202 W228	G197-Y200 WeakPolarHBondContact O-CA 3.4Å; G197-Y200 PolarHBondContact O-N 3.49Å; Y200-F202 VanDerWaalsContact C-N 3.26Å; Y200-F202 PolarHBondContact O-N 2.87Å; Y200-W228 HydrophobicContact CD1-CH2 4.31Å; Y200-W228 HydrophobicContact CD2-CH2 4.05Å; Y200-W228 HydrophobicContact CD2-CZ3 4.12Å; Y200-W228 AromaticContact CG-CH2 3.58Å; Y200-W228 HydrophobicContact CG-CH2 3.58Å; Y200-W228 HydrophobicContact CG-CZ2 4.21Å; Y200-W228 HydrophobicContact CG-CZ3 4.11Å
201	V	39.3	Very low	42	Very low	35 Å²	35	83.9 Å²	83.9	21%	0.212	44%	0.435	C	S	.	.			trans	-65.6	103.1	171.4	-166.5	0	0	0	0	102.9	P199 H203 A204	P199-V201 VanDerWaalsContact C-N 3.32Å; P199-V201 PolarHBondContact O-N 2.76Å; V201-H203 HydrophobicContact CG1-CB 4.19Å; V201-H203 PolarHBondContact O-N 2.83Å; V201-A204 HydrophobicContact CB-CB 3.91Å; V201-A204 VanDerWaalsContact CG1-N 3.32Å; V201-A204 WeakPolarHBondContact O-CB 3.39Å; V201-A204 PolarHBondContact O-N 3.22Å
202	F	36.4	Very low	41.8	Very low	154 Å²	154	79 Å²	79	68%	0.675	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-19.9	171.2	-127.2	-86.1	0	0	0	110.6	Y200 L232	Y200-F202 VanDerWaalsContact C-N 3.26Å; Y200-F202 PolarHBondContact O-N 2.87Å; F202-L232 HydrophobicContact CE2-CD1 4.47Å
203	H	32.1	Very low	42	Very low	105 Å²	105	82 Å²	82	49%	0.486	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	32.5	177.8	-56.9	-53.6	0	0	0	113.1	V201 F205 L206 H207	V201-H203 HydrophobicContact CG1-CB 4.19Å; V201-H203 PolarHBondContact O-N 2.83Å; H203-F205 PolarHBondContact O-N 3.21Å; H203-L206 HydrophobicContact CB-CB 4.11Å; H203-L206 HydrophobicContact CB-CD1 4.06Å; H203-L206 HydrophobicContact CB-CG 4.29Å; H203-L206 PolarHBondContact O-N 2.75Å; H203-H207 PolarHBondContact O-N 3Å; H203-H207 VanDerWaalsContact O-N 3.13Å
204	A	31.3	Very low	42.1	Very low	16 Å²	16	76.9 Å²	76.9	13%	0.132	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-20.7	172.9	0	0	0	0	0	111.8	V201 F209	V201-A204 HydrophobicContact CB-CB 3.91Å; V201-A204 VanDerWaalsContact CG1-N 3.32Å; V201-A204 WeakPolarHBondContact O-CB 3.39Å; V201-A204 PolarHBondContact O-N 3.22Å; A204-F209 HydrophobicContact CB-CE1 4.46Å; A204-F209 HydrophobicContact CB-CE2 4.24Å; A204-F209 HydrophobicContact CB-CZ 3.91Å
205	F	34.2	Very low	42.3	Very low	133 Å²	133	73 Å²	73	58%	0.583	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-17.1	177.8	-45.7	-67.3	0	0	0	113.9	W92 H203	W92-F205 WeakPolarHBondContact CH2-O 3.49Å; W92-F205 HydrophobicContact CZ3-CB 4.14Å; W92-F205 VanDerWaalsContact CZ3-O 3.26Å; W92-F205 WeakPolarHBondContact CZ3-O 2.84Å; H203-F205 PolarHBondContact O-N 3.21Å
206	L	35.5	Very low	42.7	Very low	131 Å²	131	71.7 Å²	71.7	69%	0.686	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-22.7	175.8	-62.1	174.8	0	0	0	112.3	H203	H203-L206 HydrophobicContact CB-CB 4.11Å; H203-L206 HydrophobicContact CB-CD1 4.06Å; H203-L206 HydrophobicContact CB-CG 4.29Å; H203-L206 PolarHBondContact O-N 2.75Å
207	H	31.6	Very low	43	Very low	97 Å²	97	74.6 Å²	74.6	45%	0.449	38%	0.378	S	S	.	.	S	Bend	trans	-105.1	129.4	172.2	-80.3	-78.6	0	0	0	109.8	H203 F209 E211	H203-H207 PolarHBondContact O-N 3Å; H203-H207 VanDerWaalsContact O-N 3.13Å; H207-F209 PolarHBondContact O-N 3.01Å; H207-E211 IonicContact ND1-OE2 3.45Å; H207-E211 PolarHBondContact ND1-OE2 3.35Å; H207-E211 VanDerWaalsContact ND1-OE2 3.16Å
208	P	35.4	Very low	43.3	Very low	68 Å²	68	75.9 Å²	75.9	44%	0.442	38%	0.383	S	S	.	.			trans	-46.9	134.6	169.2	-23.6	32.1	0	0	0	109.6	S210 E211 S212	P208-S210 WeakPolarHBondContact CB-OG 3.37Å; P208-S210 PolarHBondContact O-N 3.34Å; P208-E211 WeakPolarHBondContact O-CA 3.09Å; P208-E211 WeakPolarHBondContact O-CB 3.31Å; P208-E211 PolarHBondContact O-N 3Å; P208-S212 PolarHBondContact O-N 2.99Å; P208-S212 VanDerWaalsContact O-N 3.08Å
209	F	36.9	Very low	43.8	Very low	108 Å²	108	74.4 Å²	74.4	47%	0.474	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.1	-179.5	-97.1	-87.9	0	0	0	112.7	A204 H207 E211 S212	A204-F209 HydrophobicContact CB-CE1 4.46Å; A204-F209 HydrophobicContact CB-CE2 4.24Å; A204-F209 HydrophobicContact CB-CZ 3.91Å; H207-F209 PolarHBondContact O-N 3.01Å; F209-E211 VanDerWaalsContact C-N 3.26Å; F209-E211 PolarHBondContact O-N 3.48Å; F209-S212 VanDerWaalsContact CA-OG 3.27Å; F209-S212 WeakPolarHBondContact CA-OG 3.21Å; F209-S212 VanDerWaalsContact CD1-OG 3.24Å; F209-S212 WeakPolarHBondContact CD1-OG 3.5Å; F209-S212 WeakPolarHBondContact O-CB 3.45Å; F209-S212 PolarHBondContact O-N 2.94Å; F209-S212 PolarHBondContact O-OG 3.36Å
210	S	43.4	Very low	44.3	Very low	113 Å²	113	77.4 Å²	77.4	79%	0.79	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.9	172.1	55.5	0	0	0	0	114	P208	P208-S210 WeakPolarHBondContact CB-OG 3.37Å; P208-S210 PolarHBondContact O-N 3.34Å
211	E	44	Very low	45.3	Very low	110 Å²	110	78.8 Å²	78.8	51%	0.514	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-16.7	170.5	-63	-177.3	176.4	0	0	112	H207 P208 F209 H213	H207-E211 IonicContact ND1-OE2 3.45Å; H207-E211 PolarHBondContact ND1-OE2 3.35Å; H207-E211 VanDerWaalsContact ND1-OE2 3.16Å; P208-E211 WeakPolarHBondContact O-CA 3.09Å; P208-E211 WeakPolarHBondContact O-CB 3.31Å; P208-E211 PolarHBondContact O-N 3Å; F209-E211 VanDerWaalsContact C-N 3.26Å; F209-E211 PolarHBondContact O-N 3.48Å; E211-H213 PolarHBondContact O-CD2 3Å; E211-H213 PolarHBondContact O-N 3.3Å; E211-H213 VanDerWaalsContact O-N 3.1Å
212	S	46.1	Very low	46.2	Very low	18 Å²	18	77.6 Å²	77.6	13%	0.126	40%	0.404	C	S	.	.			trans	-73.4	106.9	177.1	83.9	0	0	0	0	109.2	P208 F209 A214	P208-S212 PolarHBondContact O-N 2.99Å; P208-S212 VanDerWaalsContact O-N 3.08Å; F209-S212 VanDerWaalsContact CA-OG 3.27Å; F209-S212 WeakPolarHBondContact CA-OG 3.21Å; F209-S212 VanDerWaalsContact CD1-OG 3.24Å; F209-S212 WeakPolarHBondContact CD1-OG 3.5Å; F209-S212 WeakPolarHBondContact O-CB 3.45Å; F209-S212 PolarHBondContact O-N 2.94Å; F209-S212 PolarHBondContact O-OG 3.36Å; S212-A214 PolarHBondContact O-N 2.97Å
213	H	51.8	Low	47.2	Very low	97 Å²	97	75.5 Å²	75.5	45%	0.449	41%	0.408	S	S	.	.			trans	-72.8	32	172.4	-59.2	-81.8	0	0	0	112.4	W112 E211	W112-H213 AromaticContact CH2-CD2 3.88Å; W112-H213 HydrophobicContact CZ2-CB 4.16Å; W112-H213 AromaticContact CZ2-CD2 3.41Å; W112-H213 VanDerWaalsContact CZ2-CD2 3.41Å; W112-H213 WeakPolarHBondContact CZ2-CD2 3.25Å; W112-H213 AromaticContact CZ2-CG 3.99Å; E211-H213 PolarHBondContact O-CD2 3Å; E211-H213 PolarHBondContact O-N 3.3Å; E211-H213 VanDerWaalsContact O-N 3.1Å
214	A	52.1	Low	48.3	Very low	11 Å²	11	78.7 Å²	78.7	9%	0.091	42%	0.416	C	S	.	.			trans	-69.1	136.8	179.1	0	0	0	0	0	109.6	Y198 S212 L216	Y198-A214 CarbonylContact O-C 3.59Å; S212-A214 PolarHBondContact O-N 2.97Å; A214-L216 PolarHBondContact O-N 3.43Å; A214-L216 VanDerWaalsContact O-N 3.16Å
215	C	55.5	Low	49.4	Very low	15 Å²	15	78.6 Å²	78.6	10%	0.101	41%	0.412	C	S	.	.			trans	-67.5	115	178	-176.3	0	0	0	0	109.8	C196 G197 Y198 L217 C222	C196-C215 CarbonylContact C-O 3.59Å; C196-C215 HydrophobicContact CB-CB 3.88Å; C196-C215 WeakPolarHBondContact CB-O 3.34Å; C196-C215 VanDerWaalsContact SG-SG 3.69Å; G197-C215 WeakPolarHBondContact CA-O 3.31Å; G197-C215 PolarHBondContact N-O 3.07Å; Y198-C215 VanDerWaalsContact O-CB 3.22Å; Y198-C215 WeakPolarHBondContact O-CB 3.35Å; Y198-C215 PolarHBondContact O-N 3.36Å; C215-L217 VanDerWaalsContact C-N 3.3Å; C215-C222 PolarHBondContact SG-SG 3.04Å
216	L	58.7	Low	50.2	Low	80 Å²	80	77.3 Å²	77.3	42%	0.419	40%	0.404	S	S	.	.			trans	-86.1	-2.6	177.7	-59.4	178.7	0	0	0	112.9	A214	A214-L216 PolarHBondContact O-N 3.43Å; A214-L216 VanDerWaalsContact O-N 3.16Å
217	L	57.4	Low	51.2	Low	62 Å²	62	71.9 Å²	71.9	33%	0.325	38%	0.379	S	S	.	.	S	Bend	trans	-62.8	144	178.4	-67.1	174.3	0	0	0	110.4	C196 C215 C222	C196-L217 WeakPolarHBondContact CA-O 3.48Å; C196-L217 WeakPolarHBondContact CB-O 3.42Å; C196-L217 PolarHBondContact N-O 2.77Å; C215-L217 VanDerWaalsContact C-N 3.3Å; L217-C222 HydrophobicContact CB-CB 4.32Å
218	P	55.5	Low	52.3	Low	41 Å²	41	68.5 Å²	68.5	27%	0.266	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-58.9	144.8	171.2	-15.5	25.8	0	0	0	111.1	G192 Q194 S220 K221 C222	G192-P218 WeakPolarHBondContact O-CB 3.36Å; Q194-P218 CarbonylContact O-C 3.6Å; Q194-P218 VanDerWaalsContact O-CA 3.26Å; Q194-P218 WeakPolarHBondContact O-CA 3.35Å; P218-S220 PolarHBondContact O-N 3.22Å; P218-S220 VanDerWaalsContact O-N 3.07Å; P218-K221 PolarHBondContact O-N 2.84Å; P218-C222 PolarHBondContact O-N 3.24Å
219	C	57	Low	53.3	Low	17 Å²	17	67.9 Å²	67.9	12%	0.115	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-31.6	-176.9	-64.9	0	0	0	0	112.4	L190 Q194 K221 C222 H225	L190-C219 HydrophobicContact CB-CB 4.32Å; Q194-C219 PolarHBondContact O-N 3.42Å; Q194-C219 PolarHBondContact O-SG 3.41Å; C219-K221 PolarHBondContact O-N 3.25Å; C219-C222 PolarHBondContact O-N 3.21Å; C219-H225 PolarHBondContact SG-CD2 3.5Å; C219-H225 PolarHBondContact SG-NE2 3.14Å
220	S	55.2	Low	54.4	Low	83 Å²	83	63.7 Å²	63.7	58%	0.58	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.4	174.5	56.1	0	0	0	0	114.2	G192 P218	G192-S220 PolarHBondContact O-OG 3.16Å; P218-S220 PolarHBondContact O-N 3.22Å; P218-S220 VanDerWaalsContact O-N 3.07Å
221	K	61.7	Low	55	Low	160 Å²	160	58.4 Å²	58.4	70%	0.696	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-13.4	-179.5	-61.8	-175.3	179.7	179.6	0	113.3	P218 C219	P218-K221 PolarHBondContact O-N 2.84Å; C219-K221 PolarHBondContact O-N 3.25Å
222	C	59	Low	55.6	Low	11 Å²	11	55.5 Å²	55.5	7%	0.074	29%	0.286	C	S	.	.			trans	-99.4	100.6	-172.3	-166.5	0	0	0	0	111.9	C196 C215 L217 P218 C219 R224 H225	C196-C222 HydrophobicContact CB-CB 3.45Å; C196-C222 VanDerWaalsContact CB-CB 3.45Å; C196-C222 WeakPolarHBondContact CB-SG 3.38Å; C196-C222 WeakPolarHBondContact SG-CB 3.43Å; C196-C222 CovalentContact SG-SG 2.07Å; C196-C222 PolarHBondContact SG-SG 3.45Å; C215-C222 PolarHBondContact SG-SG 3.04Å; L217-C222 HydrophobicContact CB-CB 4.32Å; P218-C222 PolarHBondContact O-N 3.24Å; C219-C222 PolarHBondContact O-N 3.21Å; C222-R224 PolarHBondContact O-N 3.23Å; C222-H225 HydrophobicContact CB-CB 4.06Å; C222-H225 WeakPolarHBondContact O-CB 3.45Å; C222-H225 PolarHBondContact O-N 2.93Å
223	S	57	Low	56.3	Low	109 Å²	109	59.7 Å²	59.7	76%	0.762	30%	0.299	S	S	*	.	H	α-helix	trans	-66.6	-26.1	173.5	60.1	0	0	0	0	113.1	H225	S223-H225 VanDerWaalsContact C-N 3.34Å; S223-H225 PolarHBondContact O-N 3.06Å
224	R	54.8	Low	56.7	Low	173 Å²	173	55 Å²	55	65%	0.653	28%	0.278	S	S	*	.	H	α-helix	trans	-67.6	-31.2	176.9	-62.7	-176.1	179.5	-177.7	0.1	112.8	Y198 C222 W226 W228	Y198-R224 HydrophobicContact CD1-CB 3.6Å; Y198-R224 HydrophobicContact CD1-CG 4.34Å; Y198-R224 HydrophobicContact CE1-CB 3.9Å; Y198-R224 HydrophobicContact CE1-CG 4.3Å; Y198-R224 HydrophobicContact CG-CB 3.97Å; C222-R224 PolarHBondContact O-N 3.23Å; R224-W226 PolarHBondContact O-N 3.13Å; R224-W228 PolarHBondContact O-N 3.48Å
225	H	54.5	Low	56.9	Low	13 Å²	13	57.2 Å²	57.2	6%	0.06	29%	0.288	C	S	.	.	H	α-helix	trans	-60	-48.7	179.1	-167.6	61.8	0	0	0	112.1	C196 C219 C222 S223 G227 W228 Q229	C196-H225 HydrophobicContact CB-CB 4.29Å; C196-H225 PolarHBondContact O-CE1 3.32Å; C196-H225 PolarHBondContact O-ND1 3.18Å; C196-H225 WeakPolarHBondContact SG-CB 3.45Å; C219-H225 PolarHBondContact SG-CD2 3.5Å; C219-H225 PolarHBondContact SG-NE2 3.14Å; C222-H225 HydrophobicContact CB-CB 4.06Å; C222-H225 WeakPolarHBondContact O-CB 3.45Å; C222-H225 PolarHBondContact O-N 2.93Å; S223-H225 VanDerWaalsContact C-N 3.34Å; S223-H225 PolarHBondContact O-N 3.06Å; H225-G227 PolarHBondContact O-N 3.45Å; H225-W228 PolarHBondContact O-N 3.21Å; H225-W228 VanDerWaalsContact O-N 3.09Å; H225-Q229 VanDerWaalsContact CD2-CD 3.41Å; H225-Q229 PolarHBondContact CD2-OE1 3.07Å; H225-Q229 PolarHBondContact NE2-NE2 2.97Å; H225-Q229 PolarHBondContact NE2-OE1 3.04Å; H225-Q229 PolarHBondContact O-N 3.23Å
226	W	51.2	Low	56.9	Low	107 Å²	107	60.8 Å²	60.8	41%	0.405	31%	0.305	S	S	.	.	H	α-helix	trans	-64.2	-44.3	-170	-173	84.5	0	0	0	111.1	R224 W228 Q230	R224-W226 PolarHBondContact O-N 3.13Å; W226-W228 VanDerWaalsContact C-N 3.3Å; W226-W228 PolarHBondContact O-N 2.93Å; W226-Q230 WeakPolarHBondContact O-CB 3.32Å; W226-Q230 VanDerWaalsContact O-CG 3.32Å; W226-Q230 WeakPolarHBondContact O-CG 3.12Å; W226-Q230 PolarHBondContact O-N 2.99Å; W226-Q230 VanDerWaalsContact O-N 3.12Å
227	G	55.6	Low	57	Low	16 Å²	16	57.2 Å²	57.2	17%	0.165	29%	0.287	C	S	.	.	H	α-helix	trans	-62.2	-37.5	174.4	0	0	0	0	0	112.6	H225 A231	H225-G227 PolarHBondContact O-N 3.45Å; G227-A231 WeakPolarHBondContact O-CB 3.46Å; G227-A231 PolarHBondContact O-N 3.43Å
228	W	55.4	Low	57	Low	26 Å²	26	54.3 Å²	54.3	10%	0.098	27%	0.271	C	S	.	.	H	α-helix	trans	-74.8	-43.8	-179.6	-174.4	84.3	0	0	0	113.8	M129 Y198 Y200 R224 H225 W226 Q230 A231 L232	M129-W228 HydrophobicContact SD-CB 4.35Å; Y198-W228 HydrophobicContact CD2-CB 3.31Å; Y198-W228 AromaticContact CD2-CD1 3.61Å; Y198-W228 HydrophobicContact CD2-CD2 4.34Å; Y198-W228 AromaticContact CD2-CG 3.43Å; Y198-W228 HydrophobicContact CD2-CG 3.43Å; Y198-W228 VanDerWaalsContact CD2-CG 3.43Å; Y198-W228 HydrophobicContact CE2-CB 3.58Å; Y198-W228 AromaticContact CE2-CD1 3.48Å; Y198-W228 VanDerWaalsContact CE2-CD1 3.48Å; Y198-W228 AromaticContact CE2-CG 3.71Å; Y198-W228 HydrophobicContact CE2-CG 3.71Å; Y198-W228 HydrophobicContact CG-CB 4.48Å; Y200-W228 HydrophobicContact CD1-CH2 4.31Å; Y200-W228 HydrophobicContact CD2-CH2 4.05Å; Y200-W228 HydrophobicContact CD2-CZ3 4.12Å; Y200-W228 AromaticContact CG-CH2 3.58Å; Y200-W228 HydrophobicContact CG-CH2 3.58Å; Y200-W228 HydrophobicContact CG-CZ2 4.21Å; Y200-W228 HydrophobicContact CG-CZ3 4.11Å; R224-W228 PolarHBondContact O-N 3.48Å; H225-W228 PolarHBondContact O-N 3.21Å; H225-W228 VanDerWaalsContact O-N 3.09Å; W226-W228 VanDerWaalsContact C-N 3.3Å; W226-W228 PolarHBondContact O-N 2.93Å; W228-Q230 PolarHBondContact O-N 3.36Å; W228-A231 CarbonylContact O-C 3.59Å; W228-A231 WeakPolarHBondContact O-CB 3.47Å; W228-A231 PolarHBondContact O-N 3.45Å; W228-A231 VanDerWaalsContact O-N 3.07Å; W228-L232 HydrophobicContact CE3-CB 4.48Å; W228-L232 HydrophobicContact CH2-CB 4.06Å; W228-L232 HydrophobicContact CH2-CD1 4.3Å; W228-L232 HydrophobicContact CH2-CD2 3.5Å; W228-L232 HydrophobicContact CH2-CG 4.14Å; W228-L232 HydrophobicContact CZ2-CB 4.25Å; W228-L232 HydrophobicContact CZ2-CD1 4.4Å; W228-L232 HydrophobicContact CZ2-CD2 4.35Å; W228-L232 HydrophobicContact CZ3-CB 4.19Å; W228-L232 HydrophobicContact CZ3-CD2 3.77Å; W228-L232 WeakPolarHBondContact O-CB 3.5Å; W228-L232 PolarHBondContact O-N 2.98Å
229	Q	57.5	Low	56.9	Low	55 Å²	55	55.6 Å²	55.6	26%	0.257	28%	0.278	S	S	.	.	H	α-helix	trans	-61.1	-36.6	174.4	-79.1	-169.8	-32.4	0	0	111.5	H225 R233	H225-Q229 VanDerWaalsContact CD2-CD 3.41Å; H225-Q229 PolarHBondContact CD2-OE1 3.07Å; H225-Q229 PolarHBondContact NE2-NE2 2.97Å; H225-Q229 PolarHBondContact NE2-OE1 3.04Å; H225-Q229 PolarHBondContact O-N 3.23Å; Q229-R233 WeakPolarHBondContact O-CB 3.19Å; Q229-R233 PolarHBondContact O-N 3.27Å
230	Q	58.4	Low	56.8	Low	21 Å²	21	57.3 Å²	57.3	10%	0.098	29%	0.288	C	S	.	.	H	α-helix	trans	-64.3	-45	171.2	-75.3	-175.9	4.2	0	0	111.8	L133 F186 W226 W228 R233 A234	L133-Q230 HydrophobicContact CD2-CB 4.43Å; F186-Q230 HydrophobicContact CD1-CG 4.21Å; F186-Q230 HydrophobicContact CD2-CG 4.43Å; F186-Q230 HydrophobicContact CE1-CG 3.85Å; F186-Q230 HydrophobicContact CE2-CG 4.09Å; F186-Q230 HydrophobicContact CG-CG 4.47Å; F186-Q230 HydrophobicContact CZ-CB 4.41Å; F186-Q230 HydrophobicContact CZ-CG 3.75Å; W226-Q230 WeakPolarHBondContact O-CB 3.32Å; W226-Q230 VanDerWaalsContact O-CG 3.32Å; W226-Q230 WeakPolarHBondContact O-CG 3.12Å; W226-Q230 PolarHBondContact O-N 2.99Å; W226-Q230 VanDerWaalsContact O-N 3.12Å; W228-Q230 PolarHBondContact O-N 3.36Å; Q230-R233 PolarHBondContact O-N 3.43Å; Q230-A234 WeakPolarHBondContact O-CB 3.35Å; Q230-A234 PolarHBondContact O-N 3.37Å
231	A	56.1	Low	56.9	Low	2 Å²	2	53.3 Å²	53.3	2%	0.017	26%	0.26	C	S	.	.	H	α-helix	trans	-62.6	-44.5	177.2	0	0	0	0	0	112.4	M129 L133 G227 W228 A234 L235	M129-A231 HydrophobicContact CG-CB 3.57Å; M129-A231 HydrophobicContact SD-CB 3.89Å; L133-A231 HydrophobicContact CD1-CB 4.44Å; L133-A231 HydrophobicContact CD2-CB 4.37Å; L133-A231 HydrophobicContact CG-CB 4.48Å; G227-A231 WeakPolarHBondContact O-CB 3.46Å; G227-A231 PolarHBondContact O-N 3.43Å; W228-A231 CarbonylContact O-C 3.59Å; W228-A231 WeakPolarHBondContact O-CB 3.47Å; W228-A231 PolarHBondContact O-N 3.45Å; W228-A231 VanDerWaalsContact O-N 3.07Å; A231-A234 PolarHBondContact O-N 3.47Å; A231-L235 WeakPolarHBondContact O-CB 3.47Å; A231-L235 PolarHBondContact O-N 2.69Å
232	L	57.9	Low	56.5	Low	49 Å²	49	48.6 Å²	48.6	26%	0.257	25%	0.245	S	C	.	.	H	α-helix	trans	-61.9	-49.5	174.6	178.7	71.2	0	0	0	110.3	F202 W228 A234 L235 L236	F202-L232 HydrophobicContact CE2-CD1 4.47Å; W228-L232 HydrophobicContact CE3-CB 4.48Å; W228-L232 HydrophobicContact CH2-CB 4.06Å; W228-L232 HydrophobicContact CH2-CD1 4.3Å; W228-L232 HydrophobicContact CH2-CD2 3.5Å; W228-L232 HydrophobicContact CH2-CG 4.14Å; W228-L232 HydrophobicContact CZ2-CB 4.25Å; W228-L232 HydrophobicContact CZ2-CD1 4.4Å; W228-L232 HydrophobicContact CZ2-CD2 4.35Å; W228-L232 HydrophobicContact CZ3-CB 4.19Å; W228-L232 HydrophobicContact CZ3-CD2 3.77Å; W228-L232 WeakPolarHBondContact O-CB 3.5Å; W228-L232 PolarHBondContact O-N 2.98Å; L232-A234 VanDerWaalsContact C-N 3.28Å; L232-A234 PolarHBondContact O-N 3.15Å; L232-L235 WeakPolarHBondContact O-CB 3.46Å; L232-L235 PolarHBondContact O-N 3.29Å; L232-L235 VanDerWaalsContact O-N 3.16Å; L232-L236 HydrophobicContact CD1-CD1 4.49Å; L232-L236 HydrophobicContact CD1-CG 4.49Å; L232-L236 HydrophobicContact CD2-CD1 4.47Å; L232-L236 HydrophobicContact CG-CD1 4.1Å; L232-L236 HydrophobicContact CG-CG 4.46Å; L232-L236 WeakPolarHBondContact O-CG 3.4Å; L232-L236 PolarHBondContact O-N 2.93Å
233	R	61	Low	56.1	Low	105 Å²	105	50.5 Å²	50.5	40%	0.396	26%	0.256	S	S	.	.	H	α-helix	trans	-61.9	-41	179.9	-175.3	65	-164.8	-140.6	2.4	110.9	A176 F186 Q229 Q230 L235 L236 D237	A176-R233 HydrophobicContact CB-CB 4.23Å; A176-R233 HydrophobicContact CB-CG 3.84Å; F186-R233 HydrophobicContact CE1-CB 4.09Å; F186-R233 HydrophobicContact CE1-CG 4.11Å; F186-R233 HydrophobicContact CZ-CB 4.25Å; F186-R233 HydrophobicContact CZ-CG 4.14Å; Q229-R233 WeakPolarHBondContact O-CB 3.19Å; Q229-R233 PolarHBondContact O-N 3.27Å; Q230-R233 PolarHBondContact O-N 3.43Å; R233-L235 VanDerWaalsContact C-N 3.33Å; R233-L235 PolarHBondContact O-N 3.49Å; R233-L236 PolarHBondContact O-N 3.07Å; R233-D237 IonicContact CZ-OD1 3.61Å; R233-D237 IonicContact NE-OD1 3.74Å; R233-D237 PolarHBondContact NE-OD1 3.31Å; R233-D237 IonicContact NE-OD2 3.21Å; R233-D237 IonicContact NH2-OD1 2.85Å; R233-D237 PolarHBondContact NH2-OD1 2.94Å; R233-D237 WeakPolarHBondContact O-CB 3.27Å; R233-D237 VanDerWaalsContact O-CG 3.28Å; R233-D237 PolarHBondContact O-N 3.26Å
234	A	60.3	Low	55.9	Low	0 Å²	0	47 Å²	47	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-40.8	175.4	0	0	0	0	0	111.9	F132 L133 L136 A176 V177 Q230 A231 L232 S238	F132-A234 HydrophobicContact CE1-CB 4.04Å; L133-A234 HydrophobicContact CD2-CB 3.95Å; L136-A234 HydrophobicContact CD2-CB 3.74Å; A176-A234 VanDerWaalsContact CB-CA 3.48Å; A176-A234 HydrophobicContact CB-CB 3.92Å; V177-A234 HydrophobicContact CG1-CB 3.57Å; Q230-A234 WeakPolarHBondContact O-CB 3.35Å; Q230-A234 PolarHBondContact O-N 3.37Å; A231-A234 PolarHBondContact O-N 3.47Å; L232-A234 VanDerWaalsContact C-N 3.28Å; L232-A234 PolarHBondContact O-N 3.15Å; A234-S238 WeakPolarHBondContact O-CB 3.47Å; A234-S238 PolarHBondContact O-N 2.94Å; A234-S238 PolarHBondContact O-OG 3.38Å; A234-S238 VanDerWaalsContact O-OG 3.12Å
235	L	55.6	Low	55.9	Low	57 Å²	57	40.5 Å²	40.5	30%	0.298	21%	0.208	S	C	.	.	H	α-helix	trans	-64.2	-48.8	174.3	-173.4	121.5	0	0	0	111	M118 A231 L232 R233 D237 S238 V239	M118-L235 HydrophobicContact CE-CB 4.27Å; M118-L235 HydrophobicContact CE-CD1 3.53Å; A231-L235 WeakPolarHBondContact O-CB 3.47Å; A231-L235 PolarHBondContact O-N 2.69Å; L232-L235 WeakPolarHBondContact O-CB 3.46Å; L232-L235 PolarHBondContact O-N 3.29Å; L232-L235 VanDerWaalsContact O-N 3.16Å; R233-L235 VanDerWaalsContact C-N 3.33Å; R233-L235 PolarHBondContact O-N 3.49Å; L235-D237 PolarHBondContact O-N 2.97Å; L235-S238 WeakPolarHBondContact CA-OG 3.43Å; L235-S238 PolarHBondContact O-N 3.04Å; L235-S238 PolarHBondContact O-OG 3.1Å; L235-V239 WeakPolarHBondContact O-CG2 3.34Å; L235-V239 PolarHBondContact O-N 2.91Å
236	L	55.7	Low	55.7	Low	90 Å²	90	41.8 Å²	41.8	47%	0.471	23%	0.225	S	C	.	.	H	α-helix	trans	-60.1	-49	177.2	-68.7	173	0	0	0	111.8	L232 R233 S238 V239 V240	L232-L236 HydrophobicContact CD1-CD1 4.49Å; L232-L236 HydrophobicContact CD1-CG 4.49Å; L232-L236 HydrophobicContact CD2-CD1 4.47Å; L232-L236 HydrophobicContact CG-CD1 4.1Å; L232-L236 HydrophobicContact CG-CG 4.46Å; L232-L236 WeakPolarHBondContact O-CG 3.4Å; L232-L236 PolarHBondContact O-N 2.93Å; R233-L236 PolarHBondContact O-N 3.07Å; L236-S238 VanDerWaalsContact C-N 3.3Å; L236-S238 PolarHBondContact O-N 3.28Å; L236-V239 PolarHBondContact O-N 2.99Å; L236-V239 VanDerWaalsContact O-N 3.17Å; L236-V240 WeakPolarHBondContact O-CG2 3.36Å; L236-V240 PolarHBondContact O-N 3.12Å
237	D	60.9	Low	55.6	Low	5 Å²	5	41.9 Å²	41.9	3%	0.027	23%	0.233	C	C	.	.	H	α-helix	trans	-58.3	-42.9	177.6	-82.2	8.5	0	0	0	110.9	V158 A176 R233 L235 V239 V240 C241	V158-D237 HydrophobicContact CG1-CB 3.38Å; V158-D237 WeakPolarHBondContact CG1-O 3.4Å; A176-D237 HydrophobicContact CB-CB 4.32Å; A176-D237 VanDerWaalsContact CB-OD2 3.24Å; A176-D237 WeakPolarHBondContact CB-OD2 3.48Å; A176-D237 PolarHBondContact N-OD2 3.3Å; R233-D237 IonicContact CZ-OD1 3.61Å; R233-D237 IonicContact NE-OD1 3.74Å; R233-D237 PolarHBondContact NE-OD1 3.31Å; R233-D237 IonicContact NE-OD2 3.21Å; R233-D237 IonicContact NH2-OD1 2.85Å; R233-D237 PolarHBondContact NH2-OD1 2.94Å; R233-D237 WeakPolarHBondContact O-CB 3.27Å; R233-D237 VanDerWaalsContact O-CG 3.28Å; R233-D237 PolarHBondContact O-N 3.26Å; L235-D237 PolarHBondContact O-N 2.97Å; D237-V239 PolarHBondContact O-N 2.66Å; D237-V240 PolarHBondContact O-N 3.43Å; D237-C241 PolarHBondContact O-N 3.48Å
238	S	57.2	Low	55.5	Low	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64	-39.7	176.8	68.5	0	0	0	0	113	P121 A234 L235 L236 C241 V242	P121-S238 VanDerWaalsContact CG-OG 3.27Å; P121-S238 WeakPolarHBondContact CG-OG 3.36Å; A234-S238 WeakPolarHBondContact O-CB 3.47Å; A234-S238 PolarHBondContact O-N 2.94Å; A234-S238 PolarHBondContact O-OG 3.38Å; A234-S238 VanDerWaalsContact O-OG 3.12Å; L235-S238 WeakPolarHBondContact CA-OG 3.43Å; L235-S238 PolarHBondContact O-N 3.04Å; L235-S238 PolarHBondContact O-OG 3.1Å; L236-S238 VanDerWaalsContact C-N 3.3Å; L236-S238 PolarHBondContact O-N 3.28Å; S238-C241 PolarHBondContact O-N 3.28Å; S238-V242 WeakPolarHBondContact O-CG2 3.38Å; S238-V242 PolarHBondContact O-N 3.17Å
239	V	53.6	Low	55.4	Low	68 Å²	68	43.5 Å²	43.5	41%	0.412	25%	0.247	S	C	.	.	H	α-helix	trans	-64.8	-42.8	175.5	170.6	0	0	0	0	110.8	L235 L236 D237 C241 V242 T243	L235-V239 WeakPolarHBondContact O-CG2 3.34Å; L235-V239 PolarHBondContact O-N 2.91Å; L236-V239 PolarHBondContact O-N 2.99Å; L236-V239 VanDerWaalsContact O-N 3.17Å; D237-V239 PolarHBondContact O-N 2.66Å; V239-C241 VanDerWaalsContact C-N 3.32Å; V239-C241 PolarHBondContact O-N 3.28Å; V239-V242 PolarHBondContact O-N 2.91Å; V239-T243 WeakPolarHBondContact O-CB 3.48Å; V239-T243 PolarHBondContact O-N 3.43Å; V239-T243 PolarHBondContact O-OG1 2.96Å
240	V	54.3	Low	55	Low	53 Å²	53	43.7 Å²	43.7	32%	0.321	26%	0.258	S	S	.	.	H	α-helix	trans	-59.8	-45	175.5	174.1	0	0	0	0	110.4	I157 V158 L236 D237 T243 L244	I157-V240 HydrophobicContact CD1-CG1 4.04Å; V158-V240 HydrophobicContact CG2-CB 4.07Å; V158-V240 HydrophobicContact CG2-CG1 3.53Å; L236-V240 WeakPolarHBondContact O-CG2 3.36Å; L236-V240 PolarHBondContact O-N 3.12Å; D237-V240 PolarHBondContact O-N 3.43Å; V240-T243 WeakPolarHBondContact O-CB 3.3Å; V240-T243 PolarHBondContact O-N 3.46Å; V240-L244 HydrophobicContact CG1-CD1 3.89Å; V240-L244 HydrophobicContact CG1-CG 4.26Å; V240-L244 WeakPolarHBondContact O-CG 3.22Å; V240-L244 PolarHBondContact O-N 2.84Å
241	C	57.1	Low	54.8	Low	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-65.6	-43.9	179.1	-175.7	0	0	0	0	113.3	F122 F155 F174 D237 S238 V239 T243 L244 T245	F122-C241 HydrophobicContact CZ-CB 4.23Å; F155-C241 HydrophobicContact CE1-CB 4.41Å; F174-C241 HydrophobicContact CE1-CB 3.6Å; F174-C241 HydrophobicContact CE2-CB 4.4Å; F174-C241 HydrophobicContact CZ-CB 3.25Å; F174-C241 VanDerWaalsContact CZ-SG 3.54Å; D237-C241 PolarHBondContact O-N 3.48Å; S238-C241 PolarHBondContact O-N 3.28Å; V239-C241 VanDerWaalsContact C-N 3.32Å; V239-C241 PolarHBondContact O-N 3.28Å; C241-T243 PolarHBondContact O-N 3.29Å; C241-L244 PolarHBondContact O-N 3.23Å; C241-T245 WeakPolarHBondContact O-CB 3.22Å; C241-T245 WeakPolarHBondContact O-CG2 3.41Å; C241-T245 PolarHBondContact O-N 3.2Å; C241-T245 PolarHBondContact O-OG1 3.34Å
242	V	54	Low	54.5	Low	60 Å²	60	52 Å²	52	36%	0.364	29%	0.294	S	S	.	.	H	α-helix	trans	-58.4	-38.4	173.6	170.7	0	0	0	0	110.7	P121 F122 S238 V239 T245 G246	P121-V242 HydrophobicContact CB-CG2 4.26Å; F122-V242 HydrophobicContact CD1-CG2 3.93Å; F122-V242 HydrophobicContact CE1-CG2 3.52Å; F122-V242 HydrophobicContact CZ-CG2 3.92Å; S238-V242 WeakPolarHBondContact O-CG2 3.38Å; S238-V242 PolarHBondContact O-N 3.17Å; V239-V242 PolarHBondContact O-N 2.91Å; V242-T245 WeakPolarHBondContact CA-OG1 3.4Å; V242-T245 PolarHBondContact O-OG1 3.04Å; V242-G246 PolarHBondContact O-N 3.11Å; V242-G246 VanDerWaalsContact O-N 3.08Å
243	T	50.2	Low	54.1	Low	51 Å²	51	53.2 Å²	53.2	31%	0.313	30%	0.304	S	S	.	.	H	α-helix	trans	-66.5	-50.1	177.5	-55	0	0	0	0	111.4	V239 V240 C241 T245 G246 L247	V239-T243 WeakPolarHBondContact O-CB 3.48Å; V239-T243 PolarHBondContact O-N 3.43Å; V239-T243 PolarHBondContact O-OG1 2.96Å; V240-T243 WeakPolarHBondContact O-CB 3.3Å; V240-T243 PolarHBondContact O-N 3.46Å; C241-T243 PolarHBondContact O-N 3.29Å; T243-T245 PolarHBondContact O-N 2.9Å; T243-G246 PolarHBondContact O-N 3.33Å; T243-L247 HydrophobicContact CG2-CD1 4.35Å; T243-L247 WeakPolarHBondContact O-CG 3.33Å; T243-L247 PolarHBondContact O-N 3.48Å
244	L	52.1	Low	53.5	Low	37 Å²	37	50.2 Å²	50.2	19%	0.194	30%	0.302	C	S	.	.	H	α-helix	trans	-63	-41.8	-179.4	-71.5	173	0	0	0	112.3	N154 F155 V158 V240 C241 L247 L248	N154-L244 WeakPolarHBondContact O-CD1 3.45Å; F155-L244 HydrophobicContact CD1-CB 4.16Å; F155-L244 HydrophobicContact CD1-CD1 3.67Å; F155-L244 HydrophobicContact CD2-CD1 4.32Å; F155-L244 HydrophobicContact CE1-CB 3.35Å; F155-L244 HydrophobicContact CE1-CD1 3.76Å; F155-L244 HydrophobicContact CE1-CG 4.22Å; F155-L244 HydrophobicContact CE2-CB 3.97Å; F155-L244 HydrophobicContact CE2-CD1 4.37Å; F155-L244 HydrophobicContact CG-CD1 3.97Å; F155-L244 HydrophobicContact CZ-CB 3.24Å; F155-L244 HydrophobicContact CZ-CD1 4.13Å; F155-L244 HydrophobicContact CZ-CG 4.31Å; V158-L244 HydrophobicContact CG2-CD1 4.47Å; V240-L244 HydrophobicContact CG1-CD1 3.89Å; V240-L244 HydrophobicContact CG1-CG 4.26Å; V240-L244 WeakPolarHBondContact O-CG 3.22Å; V240-L244 PolarHBondContact O-N 2.84Å; C241-L244 PolarHBondContact O-N 3.23Å; L244-L247 PolarHBondContact O-N 2.91Å; L244-L248 WeakPolarHBondContact O-CG 3.28Å; L244-L248 PolarHBondContact O-N 2.87Å
245	T	55	Low	52.9	Low	35 Å²	35	54 Å²	54	22%	0.215	32%	0.321	C	S	.	.	H	α-helix	trans	-64.4	-40.9	176.5	48.4	0	0	0	0	111.8	V143 I147 F155 C241 V242 T243 L247 L248 A249	V143-T245 HydrophobicContact CG1-CG2 3.75Å; I147-T245 HydrophobicContact CD1-CG2 3.95Å; I147-T245 HydrophobicContact CG1-CG2 4.29Å; F155-T245 HydrophobicContact CE1-CG2 3.9Å; F155-T245 HydrophobicContact CZ-CG2 3.87Å; C241-T245 WeakPolarHBondContact O-CB 3.22Å; C241-T245 WeakPolarHBondContact O-CG2 3.41Å; C241-T245 PolarHBondContact O-N 3.2Å; C241-T245 PolarHBondContact O-OG1 3.34Å; V242-T245 WeakPolarHBondContact CA-OG1 3.4Å; V242-T245 PolarHBondContact O-OG1 3.04Å; T243-T245 PolarHBondContact O-N 2.9Å; T245-L247 PolarHBondContact O-N 2.74Å; T245-L248 PolarHBondContact O-N 2.74Å; T245-A249 PolarHBondContact O-N 2.94Å
246	G	50.2	Low	52.4	Low	40 Å²	40	56.7 Å²	56.7	41%	0.412	34%	0.335	S	S	.	.	H	α-helix	trans	-60.7	-41.7	172.9	0	0	0	0	0	113.2	V242 T243 A249 A250	V242-G246 PolarHBondContact O-N 3.11Å; V242-G246 VanDerWaalsContact O-N 3.08Å; T243-G246 PolarHBondContact O-N 3.33Å; G246-A249 PolarHBondContact O-N 2.92Å; G246-A250 PolarHBondContact O-N 3.31Å
247	L	49.8	Very low	52.3	Low	110 Å²	110	57.7 Å²	57.7	58%	0.576	34%	0.337	S	S	*	.	H	α-helix	trans	-65	-41.1	176.5	-70.9	172.5	0	0	0	112.4	T243 L244 T245 A250 K251	T243-L247 HydrophobicContact CG2-CD1 4.35Å; T243-L247 WeakPolarHBondContact O-CG 3.33Å; T243-L247 PolarHBondContact O-N 3.48Å; L244-L247 PolarHBondContact O-N 2.91Å; T245-L247 PolarHBondContact O-N 2.74Å; L247-A250 PolarHBondContact O-N 2.91Å; L247-K251 WeakPolarHBondContact O-CB 3.38Å; L247-K251 PolarHBondContact O-N 3.41Å
248	L	53.4	Low	52	Low	21 Å²	21	64.2 Å²	64.2	11%	0.11	37%	0.365	C	S	.	.	H	α-helix	trans	-62	-44.8	174.3	-73	178.6	0	0	0	111.5	I147 E151 F155 L244 T245 A250 K251 H252	I147-L248 HydrophobicContact CG2-CD1 4.11Å; E151-L248 HydrophobicContact CB-CD1 3.99Å; E151-L248 HydrophobicContact CB-CD2 4.07Å; E151-L248 VanDerWaalsContact CD-CD2 3.5Å; E151-L248 HydrophobicContact CG-CD1 4.45Å; E151-L248 HydrophobicContact CG-CD2 3.79Å; E151-L248 WeakPolarHBondContact OE2-CD2 3.39Å; F155-L248 HydrophobicContact CE2-CD1 3.74Å; F155-L248 HydrophobicContact CZ-CD1 4.04Å; L244-L248 WeakPolarHBondContact O-CG 3.28Å; L244-L248 PolarHBondContact O-N 2.87Å; T245-L248 PolarHBondContact O-N 2.74Å; L248-A250 VanDerWaalsContact C-N 3.34Å; L248-A250 PolarHBondContact O-N 3.25Å; L248-K251 WeakPolarHBondContact O-CB 3.47Å; L248-K251 PolarHBondContact O-N 3.38Å; L248-H252 PolarHBondContact O-CD2 3.06Å; L248-H252 PolarHBondContact O-N 3.49Å
249	A	52.6	Low	51.4	Low	55 Å²	55	68.2 Å²	68.2	46%	0.455	39%	0.386	S	S	.	.	H	α-helix	trans	-59	-45.3	176.4	0	0	0	0	0	111.6	T245 G246 K251 H252 V253	T245-A249 PolarHBondContact O-N 2.94Å; G246-A249 PolarHBondContact O-N 2.92Å; A249-K251 PolarHBondContact O-N 2.86Å; A249-H252 PolarHBondContact O-N 2.85Å; A249-V253 WeakPolarHBondContact O-CG2 3.33Å; A249-V253 PolarHBondContact O-N 3.49Å
250	A	48.8	Very low	51.3	Low	58 Å²	58	71.1 Å²	71.1	48%	0.479	40%	0.395	S	S	.	.	H	α-helix	trans	-61.1	-42.3	176.3	0	0	0	0	0	112.4	G246 L247 L248 H252 V253 A254	G246-A250 PolarHBondContact O-N 3.31Å; L247-A250 PolarHBondContact O-N 2.91Å; L248-A250 VanDerWaalsContact C-N 3.34Å; L248-A250 PolarHBondContact O-N 3.25Å; A250-H252 PolarHBondContact O-N 3.43Å; A250-V253 PolarHBondContact O-N 2.91Å; A250-A254 PolarHBondContact O-N 3.46Å
251	K	55.3	Low	51.4	Low	102 Å²	102	74.1 Å²	74.1	44%	0.443	41%	0.409	S	S	.	.	H	α-helix	trans	-58.8	-45.6	173.6	178.1	-175	175.9	-175.4	0	111.5	E151 L247 L248 A249 A254 I255	E151-K251 IonicContact OE1-NZ 3.35Å; E151-K251 PolarHBondContact OE1-NZ 3.5Å; L247-K251 WeakPolarHBondContact O-CB 3.38Å; L247-K251 PolarHBondContact O-N 3.41Å; L248-K251 WeakPolarHBondContact O-CB 3.47Å; L248-K251 PolarHBondContact O-N 3.38Å; A249-K251 PolarHBondContact O-N 2.86Å; K251-A254 PolarHBondContact O-N 3.24Å; K251-I255 HydrophobicContact CG-CD1 4.04Å; K251-I255 VanDerWaalsContact O-CG1 3.3Å; K251-I255 WeakPolarHBondContact O-CG1 3.38Å; K251-I255 PolarHBondContact O-N 3.44Å
252	H	49.7	Very low	51.3	Low	95 Å²	95	82.5 Å²	82.5	44%	0.44	44%	0.441	S	S	.	.	H	α-helix	trans	-62.3	-44	178.1	-83.4	-75	0	0	0	112.3	L248 A249 A250 I255 L256	L248-H252 PolarHBondContact O-CD2 3.06Å; L248-H252 PolarHBondContact O-N 3.49Å; A249-H252 PolarHBondContact O-N 2.85Å; A250-H252 PolarHBondContact O-N 3.43Å; H252-I255 PolarHBondContact O-N 2.85Å; H252-L256 WeakPolarHBondContact O-CG 3.42Å; H252-L256 PolarHBondContact O-N 3.11Å
253	V	48.6	Very low	51	Low	76 Å²	76	84.7 Å²	84.7	46%	0.461	45%	0.45	S	S	.	.	H	α-helix	trans	-60	-48	175.7	172.9	0	0	0	0	110.9	A249 A250 I255 L256 E257	A249-V253 WeakPolarHBondContact O-CG2 3.33Å; A249-V253 PolarHBondContact O-N 3.49Å; A250-V253 PolarHBondContact O-N 2.91Å; V253-I255 VanDerWaalsContact C-N 3.27Å; V253-I255 PolarHBondContact O-N 3.42Å; V253-L256 PolarHBondContact O-N 3.45Å; V253-L256 VanDerWaalsContact O-N 3.1Å; V253-E257 HydrophobicContact CG1-CG 4.42Å; V253-E257 WeakPolarHBondContact O-CG 3.33Å; V253-E257 PolarHBondContact O-N 3.04Å
254	A	49.1	Very low	51.4	Low	42 Å²	42	84.5 Å²	84.5	35%	0.347	45%	0.451	S	S	.	.	H	α-helix	trans	-61.1	-35	178.9	0	0	0	0	0	113	A250 K251 K258	A250-A254 PolarHBondContact O-N 3.46Å; K251-A254 PolarHBondContact O-N 3.24Å; A254-K258 WeakPolarHBondContact O-CG 3.4Å; A254-K258 PolarHBondContact O-N 3.2Å; A254-K258 VanDerWaalsContact O-N 3.17Å
255	I	48.1	Very low	51.6	Low	80 Å²	80	88.1 Å²	88.1	41%	0.41	47%	0.466	S	S	.	.	H	α-helix	trans	-67.7	-44.9	174.3	-69	165.8	0	0	0	110.7	K251 H252 V253 K258 L259	K251-I255 HydrophobicContact CG-CD1 4.04Å; K251-I255 VanDerWaalsContact O-CG1 3.3Å; K251-I255 WeakPolarHBondContact O-CG1 3.38Å; K251-I255 PolarHBondContact O-N 3.44Å; H252-I255 PolarHBondContact O-N 2.85Å; V253-I255 VanDerWaalsContact C-N 3.27Å; V253-I255 PolarHBondContact O-N 3.42Å; I255-K258 PolarHBondContact O-N 3.07Å; I255-L259 HydrophobicContact CG2-CD1 4.05Å; I255-L259 HydrophobicContact CG2-CG 4.48Å; I255-L259 WeakPolarHBondContact O-CG 3.48Å; I255-L259 PolarHBondContact O-N 3.44Å
256	L	45.1	Very low	51.5	Low	112 Å²	112	95.1 Å²	95.1	59%	0.586	49%	0.489	S	S	*	.	H	α-helix	trans	-61.9	-43.1	178.4	-72.1	171.6	0	0	0	111.7	H252 V253 K258 L259 Q260	H252-L256 WeakPolarHBondContact O-CG 3.42Å; H252-L256 PolarHBondContact O-N 3.11Å; V253-L256 PolarHBondContact O-N 3.45Å; V253-L256 VanDerWaalsContact O-N 3.1Å; L256-K258 PolarHBondContact O-N 3.23Å; L256-L259 PolarHBondContact O-N 3.46Å; L256-Q260 WeakPolarHBondContact O-CB 3.37Å; L256-Q260 PolarHBondContact O-N 3.42Å
257	E	52.2	Low	51.5	Low	111 Å²	111	98.5 Å²	98.5	52%	0.519	50%	0.497	S	S	.	.	H	α-helix	trans	-60	-44.4	175.3	-72.8	178.1	167.1	0	0	111.8	V253 L259 Q260 L261	V253-E257 HydrophobicContact CG1-CG 4.42Å; V253-E257 WeakPolarHBondContact O-CG 3.33Å; V253-E257 PolarHBondContact O-N 3.04Å; E257-L259 PolarHBondContact O-N 3.06Å; E257-Q260 PolarHBondContact O-N 2.98Å; E257-L261 WeakPolarHBondContact O-CB 3.33Å; E257-L261 WeakPolarHBondContact O-CG 3.47Å; E257-L261 PolarHBondContact O-N 3.48Å
258	K	55.3	Low	51.8	Low	142 Å²	142	100.4 Å²	100.4	62%	0.617	50%	0.497	S	S	*	.	H	α-helix	trans	-62.8	-41.2	175.6	-76.9	-179.9	179.4	-178.7	0	112.3	A254 I255 L256 L261 R262	A254-K258 WeakPolarHBondContact O-CG 3.4Å; A254-K258 PolarHBondContact O-N 3.2Å; A254-K258 VanDerWaalsContact O-N 3.17Å; I255-K258 PolarHBondContact O-N 3.07Å; L256-K258 PolarHBondContact O-N 3.23Å; K258-L261 PolarHBondContact O-N 3.29Å; K258-R262 WeakPolarHBondContact O-CG 3.43Å; K258-R262 PolarHBondContact O-N 2.83Å
259	L	45.8	Very low	51.9	Low	84 Å²	84	102.1 Å²	102.1	44%	0.44	51%	0.51	S	S	.	.	H	α-helix	trans	-65.2	-43.1	176.1	-74.3	171.8	0	0	0	111.5	I255 L256 E257 L261 R262 L263	I255-L259 HydrophobicContact CG2-CD1 4.05Å; I255-L259 HydrophobicContact CG2-CG 4.48Å; I255-L259 WeakPolarHBondContact O-CG 3.48Å; I255-L259 PolarHBondContact O-N 3.44Å; L256-L259 PolarHBondContact O-N 3.46Å; E257-L259 PolarHBondContact O-N 3.06Å; L259-L261 PolarHBondContact O-N 3.35Å; L259-R262 PolarHBondContact O-N 3.24Å; L259-L263 WeakPolarHBondContact O-CB 3.36Å; L259-L263 WeakPolarHBondContact O-CG 3.27Å; L259-L263 PolarHBondContact O-N 2.76Å
260	Q	50.1	Low	51.7	Low	129 Å²	129	105.1 Å²	105.1	60%	0.603	52%	0.517	S	S	*	.	H	α-helix	trans	-62	-43.1	176.5	-176.5	178.6	-11	0	0	111.6	L256 E257 R262 L263 S264	L256-Q260 WeakPolarHBondContact O-CB 3.37Å; L256-Q260 PolarHBondContact O-N 3.42Å; E257-Q260 PolarHBondContact O-N 2.98Å; Q260-R262 PolarHBondContact O-N 2.92Å; Q260-L263 PolarHBondContact O-N 3.08Å; Q260-S264 VanDerWaalsContact O-CB 3.27Å; Q260-S264 WeakPolarHBondContact O-CB 3.42Å; Q260-S264 PolarHBondContact O-N 2.94Å; Q260-S264 PolarHBondContact O-OG 3.02Å
261	L	55.9	Low	51.9	Low	116 Å²	116	105.9 Å²	105.9	61%	0.607	52%	0.516	S	S	*	.	H	α-helix	trans	-59.9	-44.7	174.5	-78.9	164	0	0	0	111.5	E257 K258 L259 S264 H265	E257-L261 WeakPolarHBondContact O-CB 3.33Å; E257-L261 WeakPolarHBondContact O-CG 3.47Å; E257-L261 PolarHBondContact O-N 3.48Å; K258-L261 PolarHBondContact O-N 3.29Å; L259-L261 PolarHBondContact O-N 3.35Å; L261-S264 PolarHBondContact O-N 3.4Å; L261-H265 WeakPolarHBondContact O-CB 3.34Å; L261-H265 PolarHBondContact O-N 3.09Å
262	R	55.6	Low	52.1	Low	176 Å²	176	105.4 Å²	105.4	66%	0.664	52%	0.518	S	S	*	.	H	α-helix	trans	-63.8	-44.6	176.6	-73.9	176.2	176.5	-169.5	-1.2	112.5	K258 L259 Q260 H265 R266	K258-R262 WeakPolarHBondContact O-CG 3.43Å; K258-R262 PolarHBondContact O-N 2.83Å; L259-R262 PolarHBondContact O-N 3.24Å; Q260-R262 PolarHBondContact O-N 2.92Å; R262-H265 PolarHBondContact O-N 3Å; R262-R266 WeakPolarHBondContact O-CG 3.42Å; R262-R266 PolarHBondContact O-N 3Å
263	L	48.8	Very low	52.1	Low	106 Å²	106	105.1 Å²	105.1	56%	0.555	52%	0.523	S	S	*	.	H	α-helix	trans	-64	-44.3	177	-76.7	167.8	0	0	0	111.3	L259 Q260 H265 R266 L267	L259-L263 WeakPolarHBondContact O-CB 3.36Å; L259-L263 WeakPolarHBondContact O-CG 3.27Å; L259-L263 PolarHBondContact O-N 2.76Å; Q260-L263 PolarHBondContact O-N 3.08Å; L263-H265 VanDerWaalsContact C-N 3.29Å; L263-H265 PolarHBondContact O-N 3.33Å; L263-R266 PolarHBondContact O-N 2.92Å; L263-L267 WeakPolarHBondContact O-CB 3.48Å; L263-L267 WeakPolarHBondContact O-CG 3.4Å; L263-L267 PolarHBondContact O-N 2.85Å
264	S	58.5	Low	52	Low	47 Å²	47	104.6 Å²	104.6	33%	0.329	52%	0.523	S	S	.	.	H	α-helix	trans	-63.2	-36.5	176.7	-57.4	0	0	0	0	111.9	Q260 L261 R268	Q260-S264 VanDerWaalsContact O-CB 3.27Å; Q260-S264 WeakPolarHBondContact O-CB 3.42Å; Q260-S264 PolarHBondContact O-N 2.94Å; Q260-S264 PolarHBondContact O-OG 3.02Å; L261-S264 PolarHBondContact O-N 3.4Å; S264-R268 WeakPolarHBondContact O-CB 3.47Å; S264-R268 WeakPolarHBondContact O-CG 3.37Å; S264-R268 PolarHBondContact O-N 3.27Å; S264-R268 VanDerWaalsContact O-N 3.09Å; S264-R268 PolarHBondContact O-NE 3.23Å
265	H	54.9	Low	52	Low	114 Å²	114	110.4 Å²	110.4	53%	0.528	54%	0.536	S	S	.	.	H	α-helix	trans	-66.4	-48.6	173.4	-173.2	-89.6	0	0	0	111.3	L261 R262 L263 L267 R268 C269	L261-H265 WeakPolarHBondContact O-CB 3.34Å; L261-H265 PolarHBondContact O-N 3.09Å; R262-H265 PolarHBondContact O-N 3Å; L263-H265 VanDerWaalsContact C-N 3.29Å; L263-H265 PolarHBondContact O-N 3.33Å; H265-L267 PolarHBondContact O-N 3.32Å; H265-R268 PolarHBondContact O-N 3.43Å; H265-C269 VanDerWaalsContact CE1-SG 3.59Å; H265-C269 PolarHBondContact O-N 3.12Å; H265-C269 PolarHBondContact O-SG 3.12Å
266	R	54.3	Low	52.2	Low	182 Å²	182	110.2 Å²	110.2	69%	0.687	54%	0.539	S	S	*	.	H	α-helix	trans	-59.1	-44.4	176.2	-76.5	-177.2	172.7	-168.2	-2.2	112.5	R262 L263 R268 C269 L270	R262-R266 WeakPolarHBondContact O-CG 3.42Å; R262-R266 PolarHBondContact O-N 3Å; L263-R266 PolarHBondContact O-N 2.92Å; R266-R268 PolarHBondContact O-N 2.95Å; R266-C269 WeakPolarHBondContact O-CB 3.4Å; R266-C269 PolarHBondContact O-N 2.93Å; R266-L270 WeakPolarHBondContact O-CG 3.48Å; R266-L270 PolarHBondContact O-N 2.87Å
267	L	49.6	Very low	52.3	Low	111 Å²	111	107 Å²	107	58%	0.581	53%	0.528	S	S	*	.	H	α-helix	trans	-60	-44.9	176.6	-78.1	167.4	0	0	0	111.2	L263 H265 L270 T271	L263-L267 WeakPolarHBondContact O-CB 3.48Å; L263-L267 WeakPolarHBondContact O-CG 3.4Å; L263-L267 PolarHBondContact O-N 2.85Å; H265-L267 PolarHBondContact O-N 3.32Å; L267-L270 PolarHBondContact O-N 2.66Å; L267-T271 PolarHBondContact O-N 3.23Å; L267-T271 PolarHBondContact O-OG1 2.69Å
268	R	56.3	Low	52	Low	150 Å²	150	105.9 Å²	105.9	57%	0.566	53%	0.526	S	S	*	.	H	α-helix	trans	-60.1	-43.5	174.2	-83	-173.6	-75.5	-176	-3.2	112.4	S264 H265 R266 L270 T271 N272	S264-R268 WeakPolarHBondContact O-CB 3.47Å; S264-R268 WeakPolarHBondContact O-CG 3.37Å; S264-R268 PolarHBondContact O-N 3.27Å; S264-R268 VanDerWaalsContact O-N 3.09Å; S264-R268 PolarHBondContact O-NE 3.23Å; H265-R268 PolarHBondContact O-N 3.43Å; R266-R268 PolarHBondContact O-N 2.95Å; R268-L270 VanDerWaalsContact C-N 3.35Å; R268-L270 PolarHBondContact O-N 3.37Å; R268-T271 WeakPolarHBondContact CA-OG1 3.47Å; R268-T271 PolarHBondContact O-N 3.47Å; R268-T271 PolarHBondContact O-OG1 3.47Å; R268-N272 WeakPolarHBondContact O-CB 3.42Å; R268-N272 VanDerWaalsContact O-CG 3.27Å; R268-N272 PolarHBondContact O-N 2.65Å
269	C	55.5	Low	51.6	Low	57 Å²	57	103.5 Å²	103.5	39%	0.385	52%	0.519	S	S	.	.	H	α-helix	trans	-59.3	-45.6	174.5	-65.1	0	0	0	0	111.5	H265 R266 N272 T273	H265-C269 VanDerWaalsContact CE1-SG 3.59Å; H265-C269 PolarHBondContact O-N 3.12Å; H265-C269 PolarHBondContact O-SG 3.12Å; R266-C269 WeakPolarHBondContact O-CB 3.4Å; R266-C269 PolarHBondContact O-N 2.93Å; C269-N272 PolarHBondContact O-N 3.42Å; C269-T273 WeakPolarHBondContact O-CB 3.48Å; C269-T273 PolarHBondContact O-N 2.99Å; C269-T273 PolarHBondContact O-OG1 3.49Å
270	L	47.2	Very low	51.6	Low	117 Å²	117	103.6 Å²	103.6	61%	0.613	52%	0.519	S	S	*	.	H	α-helix	trans	-64.4	-42.1	177.8	-71	170.4	0	0	0	112.4	R266 L267 R268 N272 T273 S274	R266-L270 WeakPolarHBondContact O-CG 3.48Å; R266-L270 PolarHBondContact O-N 2.87Å; L267-L270 PolarHBondContact O-N 2.66Å; R268-L270 VanDerWaalsContact C-N 3.35Å; R268-L270 PolarHBondContact O-N 3.37Å; L270-N272 VanDerWaalsContact C-N 3.35Å; L270-N272 PolarHBondContact O-N 2.89Å; L270-T273 PolarHBondContact O-N 3.46Å; L270-S274 PolarHBondContact O-N 3.4Å
271	T	55	Low	51.5	Low	74 Å²	74	102.9 Å²	102.9	45%	0.454	52%	0.519	S	S	.	.	H	α-helix	trans	-64.6	-41.3	177.5	-0.6	0	0	0	0	111.4	L267 R268 T273 S274 R275	L267-T271 PolarHBondContact O-N 3.23Å; L267-T271 PolarHBondContact O-OG1 2.69Å; R268-T271 WeakPolarHBondContact CA-OG1 3.47Å; R268-T271 PolarHBondContact O-N 3.47Å; R268-T271 PolarHBondContact O-OG1 3.47Å; T271-T273 VanDerWaalsContact C-N 3.33Å; T271-S274 PolarHBondContact O-N 3.49Å; T271-R275 WeakPolarHBondContact O-CG 3.48Å; T271-R275 PolarHBondContact O-N 3.38Å
272	N	58.4	Low	51	Low	92 Å²	92	107.9 Å²	107.9	49%	0.492	53%	0.53	S	S	.	.	H	α-helix	trans	-65.4	-38.5	175.9	-72	-11.2	0	0	0	111.6	R268 C269 L270 R275 T276	R268-N272 WeakPolarHBondContact O-CB 3.42Å; R268-N272 VanDerWaalsContact O-CG 3.27Å; R268-N272 PolarHBondContact O-N 2.65Å; C269-N272 PolarHBondContact O-N 3.42Å; L270-N272 VanDerWaalsContact C-N 3.35Å; L270-N272 PolarHBondContact O-N 2.89Å; N272-R275 PolarHBondContact O-N 2.92Å; N272-T276 WeakPolarHBondContact O-CB 3.4Å; N272-T276 PolarHBondContact O-N 3.25Å; N272-T276 PolarHBondContact O-OG1 3.06Å
273	T	50.4	Low	51.1	Low	89 Å²	89	107.2 Å²	107.2	55%	0.546	54%	0.535	S	S	.	.	H	α-helix	trans	-66.1	-43.4	176.7	-46.5	0	0	0	0	111.1	C269 L270 T271 T276 A277	C269-T273 WeakPolarHBondContact O-CB 3.48Å; C269-T273 PolarHBondContact O-N 2.99Å; C269-T273 PolarHBondContact O-OG1 3.49Å; L270-T273 PolarHBondContact O-N 3.46Å; T271-T273 VanDerWaalsContact C-N 3.33Å; T273-T276 WeakPolarHBondContact O-CB 3.41Å; T273-T276 PolarHBondContact O-N 3.18Å; T273-A277 PolarHBondContact O-N 3.44Å
274	S	45.4	Very low	51.3	Low	65 Å²	65	111 Å²	111	46%	0.455	55%	0.554	S	S	.	*	H	α-helix	trans	-61.6	-45.6	175.2	-171.6	0	0	0	0	112	L270 T271 T276 A277 D278	L270-S274 PolarHBondContact O-N 3.4Å; T271-S274 PolarHBondContact O-N 3.49Å; S274-T276 VanDerWaalsContact C-N 3.26Å; S274-T276 PolarHBondContact O-N 2.93Å; S274-A277 PolarHBondContact O-N 2.89Å; S274-D278 PolarHBondContact O-N 2.95Å
275	R	49.7	Very low	51	Low	165 Å²	165	114.2 Å²	114.2	62%	0.623	57%	0.565	S	S	*	*	H	α-helix	trans	-59.6	-39.9	175.5	-77.2	178.2	175.9	177.5	-2.2	111.7	T271 N272 D278 I279	T271-R275 WeakPolarHBondContact O-CG 3.48Å; T271-R275 PolarHBondContact O-N 3.38Å; N272-R275 PolarHBondContact O-N 2.92Å; R275-D278 PolarHBondContact O-N 3.05Å; R275-I279 WeakPolarHBondContact O-CD1 3.5Å; R275-I279 VanDerWaalsContact O-CG1 3.23Å; R275-I279 WeakPolarHBondContact O-CG1 3.28Å; R275-I279 PolarHBondContact O-N 3.38Å
276	T	53.1	Low	50.8	Low	76 Å²	76	114.2 Å²	114.2	47%	0.466	57%	0.567	S	S	.	*	H	α-helix	trans	-65.9	-41.6	177.3	-49.4	0	0	0	0	110.9	N272 T273 S274 I279 I280	N272-T276 WeakPolarHBondContact O-CB 3.4Å; N272-T276 PolarHBondContact O-N 3.25Å; N272-T276 PolarHBondContact O-OG1 3.06Å; T273-T276 WeakPolarHBondContact O-CB 3.41Å; T273-T276 PolarHBondContact O-N 3.18Å; S274-T276 VanDerWaalsContact C-N 3.26Å; S274-T276 PolarHBondContact O-N 2.93Å; T276-I279 PolarHBondContact O-N 3.37Å; T276-I280 HydrophobicContact CG2-CD1 4.16Å; T276-I280 VanDerWaalsContact O-CG1 3.28Å; T276-I280 WeakPolarHBondContact O-CG1 3.23Å; T276-I280 PolarHBondContact O-N 3.24Å
277	A	45.6	Very low	50.6	Low	44 Å²	44	110.4 Å²	110.4	36%	0.364	56%	0.561	S	S	.	*	H	α-helix	trans	-65.3	-39.4	175.7	0	0	0	0	0	112.8	T273 S274 I279 I280 N281	T273-A277 PolarHBondContact O-N 3.44Å; S274-A277 PolarHBondContact O-N 2.89Å; A277-I279 VanDerWaalsContact C-N 3.34Å; A277-I280 PolarHBondContact O-N 3.05Å; A277-N281 WeakPolarHBondContact O-CB 3.42Å; A277-N281 PolarHBondContact O-N 3.43Å; A277-N281 PolarHBondContact O-ND2 3.04Å
278	D	47.2	Very low	50.6	Low	88 Å²	88	110.4 Å²	110.4	47%	0.471	56%	0.559	S	S	.	*	H	α-helix	trans	-66	-35.8	176.1	-74	-24.2	0	0	0	112.4	S274 R275 R282	S274-D278 PolarHBondContact O-N 2.95Å; R275-D278 PolarHBondContact O-N 3.05Å; D278-R282 WeakPolarHBondContact O-CG 3.41Å; D278-R282 PolarHBondContact O-N 3.25Å; D278-R282 VanDerWaalsContact O-N 3.16Å
279	I	45.4	Very low	50.3	Low	91 Å²	91	107.9 Å²	107.9	47%	0.467	56%	0.559	S	S	.	*	H	α-helix	trans	-65.7	-48.8	174	-68.3	162.9	0	0	0	109.7	R275 T276 A277 N281 R282 E283	R275-I279 WeakPolarHBondContact O-CD1 3.5Å; R275-I279 VanDerWaalsContact O-CG1 3.23Å; R275-I279 WeakPolarHBondContact O-CG1 3.28Å; R275-I279 PolarHBondContact O-N 3.38Å; T276-I279 PolarHBondContact O-N 3.37Å; A277-I279 VanDerWaalsContact C-N 3.34Å; I279-N281 VanDerWaalsContact C-N 3.32Å; I279-N281 PolarHBondContact O-N 3.33Å; I279-R282 PolarHBondContact O-N 3.37Å; I279-E283 HydrophobicContact CG2-CG 4.49Å; I279-E283 WeakPolarHBondContact O-CG 3.4Å; I279-E283 PolarHBondContact O-N 3.04Å
280	I	46.4	Very low	50	Low	87 Å²	87	111.3 Å²	111.3	45%	0.446	57%	0.57	S	S	.	*	H	α-helix	trans	-59.3	-43.1	178.3	-67.2	164.9	0	0	0	111.1	T276 A277 R282 E283 L284	T276-I280 HydrophobicContact CG2-CD1 4.16Å; T276-I280 VanDerWaalsContact O-CG1 3.28Å; T276-I280 WeakPolarHBondContact O-CG1 3.23Å; T276-I280 PolarHBondContact O-N 3.24Å; A277-I280 PolarHBondContact O-N 3.05Å; I280-R282 VanDerWaalsContact C-N 3.25Å; I280-R282 PolarHBondContact O-N 3.37Å; I280-E283 PolarHBondContact O-N 2.91Å; I280-L284 HydrophobicContact CG2-CD1 3.75Å; I280-L284 HydrophobicContact CG2-CG 4.39Å; I280-L284 WeakPolarHBondContact O-CG 3.48Å; I280-L284 PolarHBondContact O-N 3.16Å
281	N	48.3	Very low	50.1	Low	113 Å²	113	110.9 Å²	110.9	60%	0.604	57%	0.567	S	S	*	*	H	α-helix	trans	-69.8	-17	177.7	-77.9	-25.9	0	0	0	114.2	A277 I279	A277-N281 WeakPolarHBondContact O-CB 3.42Å; A277-N281 PolarHBondContact O-N 3.43Å; A277-N281 PolarHBondContact O-ND2 3.04Å; I279-N281 VanDerWaalsContact C-N 3.32Å; I279-N281 PolarHBondContact O-N 3.33Å
282	R	45.8	Very low	49.8	Very low	222 Å²	222	113.7 Å²	113.7	84%	0.838	58%	0.576	S	S	*	*	H	α-helix	trans	-89.3	-24.9	172.4	-78.7	-177.4	-173.4	-171.9	3	112.8	D278 I279 I280	D278-R282 WeakPolarHBondContact O-CG 3.41Å; D278-R282 PolarHBondContact O-N 3.25Å; D278-R282 VanDerWaalsContact O-N 3.16Å; I279-R282 PolarHBondContact O-N 3.37Å; I280-R282 VanDerWaalsContact C-N 3.25Å; I280-R282 PolarHBondContact O-N 3.37Å
283	E	58.4	Low	49.1	Very low	162 Å²	162	115.5 Å²	115.5	76%	0.757	58%	0.583	S	S	*	*	H	α-helix	trans	-88.3	-20.6	179.4	-70.5	-177.7	172.5	0	0	112.9	I279 I280	I279-E283 HydrophobicContact CG2-CG 4.49Å; I279-E283 WeakPolarHBondContact O-CG 3.4Å; I279-E283 PolarHBondContact O-N 3.04Å; I280-E283 PolarHBondContact O-N 2.91Å
284	L	53.1	Low	48.9	Very low	184 Å²	184	117.9 Å²	117.9	96%	0.963	59%	0.587	S	S	*	*			trans	-85.2	0	169	-71.1	170.2	0	0	0	111.8	I280	I280-L284 HydrophobicContact CG2-CD1 3.75Å; I280-L284 HydrophobicContact CG2-CG 4.39Å; I280-L284 WeakPolarHBondContact O-CG 3.48Å; I280-L284 PolarHBondContact O-N 3.16Å

Retrieved 284 of 284 residues in 137.9 ms (Link to these results)

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