A0A077YUZ7_TRITR Loading...

Putative mitochondrial aspartate

AlphaFold DB , UniProt , Accession A0A077YUZ7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 391 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	32.3	Very low	30.8	Very low	243 Å²	243	151.8 Å²	151.8	100%	1.197	86%	0.863	S	S	*	*				0	101.1	0	-66.9	-170.3	-119.1	0	0	106.2
2	L	31.5	Very low	30.4	Very low	162 Å²	162	147.4 Å²	147.4	85%	0.848	85%	0.848	S	S	*	*			cis	-141.1	118.6	17.9	-72.7	144.1	0	0	0	105.7
3	N	29.7	Very low	30.4	Very low	143 Å²	143	149.8 Å²	149.8	77%	0.765	86%	0.855	S	S	*	*				46.6	102	105.6	-69	7.1	0	0	0	113.2
4	E	32.5	Very low	30.1	Very low	182 Å²	182	145.1 Å²	145.1	85%	0.85	86%	0.855	S	S	*	*				66.2	127.6	85	-78.1	-152.4	169.5	0	0	114.7
5	L	35.4	Very low	30	Very low	179 Å²	179	140.3 Å²	140.3	94%	0.937	85%	0.848	S	S	*	*			trans	150.2	90.4	157.7	-81.1	164.9	0	0	0	105.9
6	G	28.9	Very low	30	Very low	78 Å²	78	147.5 Å²	147.5	80%	0.804	86%	0.856	S	S	*	*				68	114.2	77.9	0	0	0	0	0	109.4
7	S	30.5	Very low	30.7	Very low	117 Å²	117	145.1 Å²	145.1	82%	0.818	84%	0.838	S	S	*	*				174.5	-172.4	58.5	-155.6	0	0	0	0	109.2
8	P	33	Very low	31.4	Very low	90 Å²	90	140.7 Å²	140.7	58%	0.584	82%	0.818	S	S	*	*				-133.3	131.1	-94.3	39.4	-20.3	0	0	0	114.2
9	Y	32.2	Very low	31.8	Very low	242 Å²	242	140.6 Å²	140.6	95%	0.949	81%	0.813	S	S	*	*			trans	-148.3	101.3	152.6	-76.7	-72.2	0	0	0	109.6
10	A	26.5	Very low	32.4	Very low	103 Å²	103	142 Å²	142	85%	0.851	81%	0.809	S	S	*	*			trans	-84.2	131.7	169.2	0	0	0	0	0	109.3
11	C	26.4	Very low	33	Very low	131 Å²	131	138.2 Å²	138.2	89%	0.885	79%	0.786	S	S	*	*			trans	-147.4	136	137.6	-137.2	0	0	0	0	110
12	S	25.9	Very low	33.6	Very low	99 Å²	99	131 Å²	131	69%	0.692	75%	0.752	S	S	*	*			trans	-86.6	147.8	-162.5	49.4	0	0	0	0	114.2
13	L	30.5	Very low	34.3	Very low	179 Å²	179	129.1 Å²	129.1	94%	0.937	74%	0.742	S	S	*	*			trans	150.2	101.1	150	-84.3	152.5	0	0	0	105.6
14	G	25.8	Very low	35.1	Very low	83 Å²	83	129.3 Å²	129.3	86%	0.856	74%	0.736	S	S	*	*			cis	113	97.3	32.8	0	0	0	0	0	108.3
15	G	29.1	Very low	35.7	Very low	73 Å²	73	122.7 Å²	122.7	75%	0.753	71%	0.71	S	S	*	*			trans	160.1	63.9	170.4	0	0	0	0	0	117.3	L17	G15-L17 PolarHBondContact O-N 3.12Å; G15-L17 VanDerWaalsContact O-N 3.1Å
16	R	30.4	Very low	36.4	Very low	256 Å²	256	117.8 Å²	117.8	97%	0.966	69%	0.687	S	S	*	*			trans	-66.1	106.7	162.7	-83.9	-178.4	-179.3	174.2	0.8	108.9	S18	R16-S18 PolarHBondContact O-N 3.36Å; R16-S18 VanDerWaalsContact O-N 3.09Å
17	L	40.9	Very low	37.7	Very low	106 Å²	106	118.2 Å²	118.2	56%	0.555	67%	0.674	S	S	*	*			trans	-52.8	113.6	166	-83.7	157.7	0	0	0	109.1	G15 L21	G15-L17 PolarHBondContact O-N 3.12Å; G15-L17 VanDerWaalsContact O-N 3.1Å; L17-L21 HydrophobicContact CD2-CB 4.45Å; L17-L21 HydrophobicContact CD2-CD2 3.24Å; L17-L21 HydrophobicContact CD2-CG 4.42Å
18	S	43.2	Very low	38.5	Very low	67 Å²	67	114.1 Å²	114.1	47%	0.469	65%	0.647	S	S	.	*			trans	-62.7	145.3	-177.2	82.1	0	0	0	0	111.1	R16 K20 L21 I22	R16-S18 PolarHBondContact O-N 3.36Å; R16-S18 VanDerWaalsContact O-N 3.09Å; S18-K20 PolarHBondContact O-N 3.35Å; S18-K20 PolarHBondContact OG-N 3.21Å; S18-L21 PolarHBondContact O-N 3.08Å; S18-L21 PolarHBondContact OG-N 3.37Å; S18-I22 PolarHBondContact O-N 3.4Å
19	N	39	Very low	39.1	Very low	138 Å²	138	114 Å²	114	74%	0.738	64%	0.638	S	S	*	*	H	α-helix	trans	-52.3	-23.1	173.6	-72.3	-23.7	0	0	0	113	L23	N19-L23 PolarHBondContact O-N 3.27Å
20	K	44.8	Very low	40.1	Very low	169 Å²	169	106.6 Å²	106.6	74%	0.735	61%	0.614	S	S	*	*	H	α-helix	trans	-69.3	-32.1	173.4	-70.2	-177.9	177.1	178.9	0	113.2	S18 K24	S18-K20 PolarHBondContact O-N 3.35Å; S18-K20 PolarHBondContact OG-N 3.21Å; K20-K24 WeakPolarHBondContact O-CG 3.29Å; K20-K24 PolarHBondContact O-N 3.01Å
21	L	44.8	Very low	41.5	Very low	62 Å²	62	107.4 Å²	107.4	33%	0.325	60%	0.596	S	S	.	*	H	α-helix	trans	-74.4	-39.9	177.9	-151	80.7	0	0	0	111.1	L17 S18 L23 K24 C25 L54	L17-L21 HydrophobicContact CD2-CB 4.45Å; L17-L21 HydrophobicContact CD2-CD2 3.24Å; L17-L21 HydrophobicContact CD2-CG 4.42Å; S18-L21 PolarHBondContact O-N 3.08Å; S18-L21 PolarHBondContact OG-N 3.37Å; L21-L23 VanDerWaalsContact C-N 3.33Å; L21-L23 PolarHBondContact O-N 3.02Å; L21-K24 PolarHBondContact O-N 3.01Å; L21-C25 PolarHBondContact O-N 2.81Å; L21-C25 PolarHBondContact O-SG 3.47Å; L21-C25 VanDerWaalsContact O-SG 3.33Å; L21-L54 HydrophobicContact CD2-CD1 4.33Å
22	I	44.5	Very low	42.5	Very low	93 Å²	93	103.1 Å²	103.1	48%	0.477	56%	0.563	S	S	.	*	H	α-helix	trans	-59.1	-45.6	174.6	-61.1	174.5	0	0	0	110.4	S18 K24 C25 V26	S18-I22 PolarHBondContact O-N 3.4Å; I22-K24 VanDerWaalsContact C-N 3.33Å; I22-K24 PolarHBondContact O-N 3.28Å; I22-C25 PolarHBondContact O-N 2.93Å; I22-V26 WeakPolarHBondContact O-CG2 3.42Å; I22-V26 PolarHBondContact O-N 3.5Å
23	L	46.2	Very low	43.6	Very low	121 Å²	121	105.2 Å²	105.2	63%	0.634	56%	0.562	S	S	*	*	H	α-helix	trans	-64.5	-35.2	178.7	-160.1	72.9	0	0	0	112.8	N19 L21 T27	N19-L23 PolarHBondContact O-N 3.27Å; L21-L23 VanDerWaalsContact C-N 3.33Å; L21-L23 PolarHBondContact O-N 3.02Å; L23-T27 PolarHBondContact O-N 3.04Å; L23-T27 VanDerWaalsContact O-N 3.09Å; L23-T27 PolarHBondContact O-OG1 3.36Å
24	K	47.4	Very low	44.9	Very low	147 Å²	147	104.8 Å²	104.8	64%	0.639	55%	0.553	S	S	*	*	H	α-helix	trans	-67.9	-38.9	174	-76.1	179.7	177.1	-171.6	0	112.4	K20 L21 I22 T27 A28	K20-K24 WeakPolarHBondContact O-CG 3.29Å; K20-K24 PolarHBondContact O-N 3.01Å; L21-K24 PolarHBondContact O-N 3.01Å; I22-K24 VanDerWaalsContact C-N 3.33Å; I22-K24 PolarHBondContact O-N 3.28Å; K24-T27 WeakPolarHBondContact CA-OG1 3.34Å; K24-T27 PolarHBondContact O-OG1 3.45Å; K24-A28 WeakPolarHBondContact O-CB 3.48Å; K24-A28 PolarHBondContact O-N 3.34Å
25	C	43.8	Very low	46	Very low	44 Å²	44	104.4 Å²	104.4	30%	0.297	53%	0.531	S	S	.	.	H	α-helix	trans	-68	-39.6	175.9	-66.9	0	0	0	0	112.3	L21 I22 A28 F29	L21-C25 PolarHBondContact O-N 2.81Å; L21-C25 PolarHBondContact O-SG 3.47Å; L21-C25 VanDerWaalsContact O-SG 3.33Å; I22-C25 PolarHBondContact O-N 2.93Å; C25-A28 PolarHBondContact O-N 3.37Å; C25-F29 WeakPolarHBondContact O-CB 3.48Å; C25-F29 PolarHBondContact O-N 3.46Å
26	V	50.3	Low	46.7	Very low	76 Å²	76	106.5 Å²	106.5	46%	0.461	53%	0.532	S	S	.	.	H	α-helix	trans	-66.8	-40.4	177.3	172.9	0	0	0	0	111.6	I22 F29 N30	I22-V26 WeakPolarHBondContact O-CG2 3.42Å; I22-V26 PolarHBondContact O-N 3.5Å; V26-F29 PolarHBondContact O-N 2.59Å; V26-N30 PolarHBondContact O-N 3.11Å
27	T	55.7	Low	47.3	Very low	86 Å²	86	100.8 Å²	100.8	53%	0.528	51%	0.514	S	S	.	.	H	α-helix	trans	-67.4	-40.7	175.3	37.5	0	0	0	0	112.3	L23 K24 N30 W31	L23-T27 PolarHBondContact O-N 3.04Å; L23-T27 VanDerWaalsContact O-N 3.09Å; L23-T27 PolarHBondContact O-OG1 3.36Å; K24-T27 WeakPolarHBondContact CA-OG1 3.34Å; K24-T27 PolarHBondContact O-OG1 3.45Å; T27-N30 PolarHBondContact O-N 3.45Å; T27-W31 WeakPolarHBondContact O-CB 3.22Å; T27-W31 PolarHBondContact O-N 2.94Å; T27-W31 VanDerWaalsContact O-N 3.07Å
28	A	48.2	Very low	47.5	Very low	32 Å²	32	107.9 Å²	107.9	26%	0.264	53%	0.534	S	S	.	.	H	α-helix	trans	-63.4	-39.8	174	0	0	0	0	0	112.6	K24 C25 W31 L32	K24-A28 WeakPolarHBondContact O-CB 3.48Å; K24-A28 PolarHBondContact O-N 3.34Å; C25-A28 PolarHBondContact O-N 3.37Å; A28-W31 PolarHBondContact O-N 2.56Å; A28-L32 WeakPolarHBondContact O-CB 3.5Å; A28-L32 PolarHBondContact O-N 3.31Å
29	F	45.6	Very low	47.5	Very low	87 Å²	87	109.6 Å²	109.6	38%	0.382	55%	0.546	S	S	.	.	H	α-helix	trans	-65	-44.5	176.4	-176.2	-101.1	0	0	0	112.4	C25 V26 W31 L32 Q33 K55	C25-F29 WeakPolarHBondContact O-CB 3.48Å; C25-F29 PolarHBondContact O-N 3.46Å; V26-F29 PolarHBondContact O-N 2.59Å; F29-W31 VanDerWaalsContact C-N 3.27Å; F29-W31 PolarHBondContact O-N 3.26Å; F29-L32 PolarHBondContact O-N 2.81Å; F29-Q33 HydrophobicContact CE1-CG 4.29Å; F29-Q33 HydrophobicContact CZ-CG 4.36Å; F29-Q33 PolarHBondContact O-N 3.46Å; F29-Q33 VanDerWaalsContact O-N 3.11Å; F29-K55 VanDerWaalsContact CE2-NZ 3.26Å
30	N	52.1	Low	48	Very low	86 Å²	86	104.4 Å²	104.4	46%	0.46	52%	0.522	S	S	.	.	H	α-helix	trans	-64.6	-30.7	175.7	-80.2	-25.3	0	0	0	112.8	V26 T27 K34	V26-N30 PolarHBondContact O-N 3.11Å; T27-N30 PolarHBondContact O-N 3.45Å; N30-K34 WeakPolarHBondContact O-CG 3.38Å
31	W	57.2	Low	48.2	Very low	121 Å²	121	101.5 Å²	101.5	46%	0.458	52%	0.515	S	S	.	.	H	α-helix	trans	-73.8	-39.8	175.1	-171.7	89.8	0	0	0	112.3	T27 A28 F29 Q33 K34 N35	T27-W31 WeakPolarHBondContact O-CB 3.22Å; T27-W31 PolarHBondContact O-N 2.94Å; T27-W31 VanDerWaalsContact O-N 3.07Å; A28-W31 PolarHBondContact O-N 2.56Å; F29-W31 VanDerWaalsContact C-N 3.27Å; F29-W31 PolarHBondContact O-N 3.26Å; W31-Q33 PolarHBondContact O-N 3.4Å; W31-K34 PolarHBondContact O-N 2.84Å; W31-K34 VanDerWaalsContact O-N 3.15Å; W31-N35 HydrophobicContact CH2-CB 4.46Å; W31-N35 PolarHBondContact O-N 3.42Å; W31-N35 PolarHBondContact O-ND2 3.25Å
32	L	46.1	Very low	48.3	Very low	40 Å²	40	102.4 Å²	102.4	21%	0.209	53%	0.531	C	S	.	.	H	α-helix	trans	-63	-37.3	176.1	-87.7	162.8	0	0	0	113	A28 F29 K34 F37 I48	A28-L32 WeakPolarHBondContact O-CB 3.5Å; A28-L32 PolarHBondContact O-N 3.31Å; F29-L32 PolarHBondContact O-N 2.81Å; L32-K34 PolarHBondContact O-N 2.88Å; L32-F37 HydrophobicContact CD2-CE1 4.21Å; L32-F37 HydrophobicContact CD2-CE2 3.73Å; L32-F37 HydrophobicContact CD2-CZ 3.32Å; L32-I48 HydrophobicContact CD1-CG1 4.47Å; L32-I48 HydrophobicContact CD2-CD1 3.91Å; L32-I48 HydrophobicContact CD2-CG1 4.1Å; L32-I48 HydrophobicContact CD2-CG2 4.44Å
33	Q	50	Low	48.2	Very low	143 Å²	143	105.4 Å²	105.4	67%	0.668	54%	0.541	S	S	*	.	H	α-helix	trans	-68.7	-23.6	175	-71.2	-148	-33.3	0	0	113.5	F29 W31	F29-Q33 HydrophobicContact CE1-CG 4.29Å; F29-Q33 HydrophobicContact CZ-CG 4.36Å; F29-Q33 PolarHBondContact O-N 3.46Å; F29-Q33 VanDerWaalsContact O-N 3.11Å; W31-Q33 PolarHBondContact O-N 3.4Å
34	K	58.3	Low	48.2	Very low	170 Å²	170	102.6 Å²	102.6	74%	0.739	52%	0.524	S	S	*	.	H	α-helix	trans	-92.2	-12	-178.7	-71.6	-178.1	178.3	-175.4	0	114	N30 W31 L32	N30-K34 WeakPolarHBondContact O-CG 3.38Å; W31-K34 PolarHBondContact O-N 2.84Å; W31-K34 VanDerWaalsContact O-N 3.15Å; L32-K34 PolarHBondContact O-N 2.88Å
35	N	49.3	Very low	48.1	Very low	75 Å²	75	102.1 Å²	102.1	40%	0.401	52%	0.522	S	S	.	.	S	Bend	trans	-132.3	86.4	-175.7	-64.5	-80.4	0	0	0	111.1	W31 F37	W31-N35 HydrophobicContact CH2-CB 4.46Å; W31-N35 PolarHBondContact O-N 3.42Å; W31-N35 PolarHBondContact O-ND2 3.25Å; N35-F37 PolarHBondContact O-N 2.56Å
36	P	43.7	Very low	48.1	Very low	118 Å²	118	106.2 Å²	106.2	77%	0.766	54%	0.537	S	S	*	.			trans	-64.5	134	176.9	5.7	0.2	0	0	0	111.4	R38	P36-R38 PolarHBondContact O-N 2.77Å
37	F	43.1	Very low	47.8	Very low	136 Å²	136	105 Å²	105	60%	0.596	53%	0.532	S	S	*	.	S	Bend	trans	-57.3	93.8	-170.4	-68.7	-97.8	0	0	0	114.3	L32 N35 I48	L32-F37 HydrophobicContact CD2-CE1 4.21Å; L32-F37 HydrophobicContact CD2-CE2 3.73Å; L32-F37 HydrophobicContact CD2-CZ 3.32Å; N35-F37 PolarHBondContact O-N 2.56Å; F37-I48 HydrophobicContact CE1-CD1 3.81Å; F37-I48 HydrophobicContact CE1-CG2 4.37Å; F37-I48 HydrophobicContact CZ-CD1 4.21Å; F37-I48 HydrophobicContact CZ-CG2 4.25Å
38	R	44.3	Very low	47.4	Very low	254 Å²	254	101.9 Å²	101.9	96%	0.958	51%	0.512	S	S	*	.	S	Bend	trans	-132.8	-4.1	159.9	-93	-172	176.4	-164.9	-1.4	115.5	P36	P36-R38 PolarHBondContact O-N 2.77Å
39	S	43.5	Very low	47.1	Very low	104 Å²	104	104 Å²	104	73%	0.727	52%	0.524	S	S	*	.			trans	-151.5	43.5	-173.8	-178.5	0	0	0	0	114.3	N41	S39-N41 PolarHBondContact O-OD1 2.87Å
40	A	48.1	Very low	47	Very low	29 Å²	29	105.9 Å²	105.9	24%	0.24	53%	0.534	C	S	.	.			trans	-90.8	124.3	179.4	0	0	0	0	0	112.5	Q44 K45	A40-Q44 HydrophobicContact CB-CB 4.23Å; A40-K45 HydrophobicContact CB-CG 4.36Å; A40-K45 WeakPolarHBondContact O-CE 3.44Å
41	N	50.2	Low	46.6	Very low	108 Å²	108	103.4 Å²	103.4	58%	0.578	52%	0.523	S	S	*	.			trans	-75.3	160.9	179.6	-50.4	10.4	0	0	0	110.1	S39 F43 Q44 K45	S39-N41 PolarHBondContact O-OD1 2.87Å; N41-F43 VanDerWaalsContact C-N 3.29Å; N41-F43 PolarHBondContact O-N 2.84Å; N41-F43 VanDerWaalsContact O-N 3.15Å; N41-Q44 WeakPolarHBondContact O-CA 3.23Å; N41-Q44 WeakPolarHBondContact O-CB 3.47Å; N41-Q44 PolarHBondContact O-N 3.19Å; N41-K45 PolarHBondContact O-N 2.93Å; N41-K45 VanDerWaalsContact O-N 3.07Å
42	A	45.7	Very low	46.1	Very low	80 Å²	80	102 Å²	102	66%	0.661	52%	0.524	S	S	*	.	H	α-helix	trans	-50.9	-43.3	-174.2	0	0	0	0	0	113.9	Q44 K45 E46	A42-Q44 VanDerWaalsContact C-N 3.32Å; A42-Q44 PolarHBondContact O-N 2.93Å; A42-K45 WeakPolarHBondContact O-CB 3.44Å; A42-K45 PolarHBondContact O-N 3.39Å; A42-E46 PolarHBondContact O-N 3.25Å; A42-E46 VanDerWaalsContact O-N 3.1Å
43	F	43.3	Very low	45.9	Very low	157 Å²	157	108 Å²	108	69%	0.689	55%	0.545	S	S	*	.	H	α-helix	trans	-61.2	-36.4	175.9	-174.7	-98.9	0	0	0	113.8	N41 S47	N41-F43 VanDerWaalsContact C-N 3.29Å; N41-F43 PolarHBondContact O-N 2.84Å; N41-F43 VanDerWaalsContact O-N 3.15Å; F43-S47 PolarHBondContact O-N 2.91Å; F43-S47 VanDerWaalsContact O-N 3.13Å; F43-S47 PolarHBondContact O-OG 3.35Å
44	Q	46.9	Very low	45.7	Very low	61 Å²	61	104.5 Å²	104.5	29%	0.285	53%	0.53	S	S	.	.	H	α-helix	trans	-72.4	-37.3	177.1	-68.2	172.5	-42.4	0	0	110.8	A40 N41 A42 E46 I48	A40-Q44 HydrophobicContact CB-CB 4.23Å; N41-Q44 WeakPolarHBondContact O-CA 3.23Å; N41-Q44 WeakPolarHBondContact O-CB 3.47Å; N41-Q44 PolarHBondContact O-N 3.19Å; A42-Q44 VanDerWaalsContact C-N 3.32Å; A42-Q44 PolarHBondContact O-N 2.93Å; Q44-E46 VanDerWaalsContact C-N 3.31Å; Q44-E46 PolarHBondContact O-N 3.39Å; Q44-I48 WeakPolarHBondContact O-CB 3.45Å; Q44-I48 WeakPolarHBondContact O-CD1 3.49Å; Q44-I48 WeakPolarHBondContact O-CG1 3.46Å; Q44-I48 PolarHBondContact O-N 2.72Å
45	K	44.7	Very low	44.9	Very low	138 Å²	138	101.1 Å²	101.1	60%	0.6	52%	0.516	S	S	*	.	H	α-helix	trans	-62.1	-38.6	174.4	-67.9	-178.6	178.5	178.7	0	112	A40 N41 A42 I48 S49	A40-K45 HydrophobicContact CB-CG 4.36Å; A40-K45 WeakPolarHBondContact O-CE 3.44Å; N41-K45 PolarHBondContact O-N 2.93Å; N41-K45 VanDerWaalsContact O-N 3.07Å; A42-K45 WeakPolarHBondContact O-CB 3.44Å; A42-K45 PolarHBondContact O-N 3.39Å; K45-I48 PolarHBondContact O-N 3.43Å; K45-S49 WeakPolarHBondContact O-CB 3.32Å; K45-S49 PolarHBondContact O-N 3.01Å
46	E	43.6	Very low	44.5	Very low	129 Å²	129	102.4 Å²	102.4	60%	0.603	52%	0.522	S	S	*	.	H	α-helix	trans	-72.3	-42	-179.1	-157.7	155.4	-156.4	0	0	112.6	A42 Q44 I48 S49 Q50	A42-E46 PolarHBondContact O-N 3.25Å; A42-E46 VanDerWaalsContact O-N 3.1Å; Q44-E46 VanDerWaalsContact C-N 3.31Å; Q44-E46 PolarHBondContact O-N 3.39Å; E46-I48 VanDerWaalsContact C-N 3.31Å; E46-I48 PolarHBondContact O-N 3.42Å; E46-S49 WeakPolarHBondContact O-CB 3.15Å; E46-S49 PolarHBondContact O-N 3.5Å; E46-Q50 PolarHBondContact O-N 2.98Å
47	S	45.1	Very low	44.4	Very low	51 Å²	51	99 Å²	99	36%	0.357	50%	0.501	S	S	.	.	H	α-helix	trans	-64.2	-35.1	172.6	-63.3	0	0	0	0	112.6	F43 C51	F43-S47 PolarHBondContact O-N 2.91Å; F43-S47 VanDerWaalsContact O-N 3.13Å; F43-S47 PolarHBondContact O-OG 3.35Å; S47-C51 PolarHBondContact O-N 2.66Å; S47-C51 VanDerWaalsContact O-N 3.08Å
48	I	46.3	Very low	44.2	Very low	21 Å²	21	94.4 Å²	94.4	11%	0.108	49%	0.488	C	S	.	.	H	α-helix	trans	-70.9	-41	175.8	-69.2	164.4	0	0	0	110.6	L32 F37 Q44 K45 E46 C51 I52	L32-I48 HydrophobicContact CD1-CG1 4.47Å; L32-I48 HydrophobicContact CD2-CD1 3.91Å; L32-I48 HydrophobicContact CD2-CG1 4.1Å; L32-I48 HydrophobicContact CD2-CG2 4.44Å; F37-I48 HydrophobicContact CE1-CD1 3.81Å; F37-I48 HydrophobicContact CE1-CG2 4.37Å; F37-I48 HydrophobicContact CZ-CD1 4.21Å; F37-I48 HydrophobicContact CZ-CG2 4.25Å; Q44-I48 WeakPolarHBondContact O-CB 3.45Å; Q44-I48 WeakPolarHBondContact O-CD1 3.49Å; Q44-I48 WeakPolarHBondContact O-CG1 3.46Å; Q44-I48 PolarHBondContact O-N 2.72Å; K45-I48 PolarHBondContact O-N 3.43Å; E46-I48 VanDerWaalsContact C-N 3.31Å; E46-I48 PolarHBondContact O-N 3.42Å; I48-C51 PolarHBondContact O-N 3.06Å; I48-I52 HydrophobicContact CG2-CD1 3.73Å; I48-I52 HydrophobicContact CG2-CG1 4.35Å; I48-I52 VanDerWaalsContact O-CG1 3.28Å; I48-I52 WeakPolarHBondContact O-CG1 3.44Å; I48-I52 PolarHBondContact O-N 3.47Å
49	S	41.5	Very low	43.8	Very low	75 Å²	75	87 Å²	87	52%	0.524	46%	0.464	S	S	.	.	H	α-helix	trans	-59.2	-45.9	174.5	-175.9	0	0	0	0	111.6	K45 E46 C51 I52 Y53	K45-S49 WeakPolarHBondContact O-CB 3.32Å; K45-S49 PolarHBondContact O-N 3.01Å; E46-S49 WeakPolarHBondContact O-CB 3.15Å; E46-S49 PolarHBondContact O-N 3.5Å; S49-C51 PolarHBondContact O-N 3.38Å; S49-I52 PolarHBondContact O-N 3.38Å; S49-Y53 WeakPolarHBondContact O-CB 3.33Å; S49-Y53 PolarHBondContact O-N 3.15Å
50	Q	44.8	Very low	43.5	Very low	127 Å²	127	86.8 Å²	86.8	59%	0.593	46%	0.459	S	S	*	.	H	α-helix	trans	-64.4	-37.7	175.3	-77.7	179.3	-9.8	0	0	113.2	E46 L54	E46-Q50 PolarHBondContact O-N 2.98Å; Q50-L54 WeakPolarHBondContact O-CB 3.4Å; Q50-L54 WeakPolarHBondContact O-CG 2.96Å; Q50-L54 PolarHBondContact O-N 3.23Å
51	C	43.9	Very low	42.8	Very low	34 Å²	34	92.2 Å²	92.2	23%	0.23	48%	0.477	C	S	.	.	H	α-helix	trans	-69	-37.9	175.1	-90.7	0	0	0	0	112.9	S47 I48 S49 K55	S47-C51 PolarHBondContact O-N 2.66Å; S47-C51 VanDerWaalsContact O-N 3.08Å; I48-C51 PolarHBondContact O-N 3.06Å; S49-C51 PolarHBondContact O-N 3.38Å; C51-K55 VanDerWaalsContact O-CB 3.24Å; C51-K55 WeakPolarHBondContact O-CB 3.29Å; C51-K55 PolarHBondContact O-N 2.89Å
52	I	46.5	Very low	42	Very low	91 Å²	91	95.5 Å²	95.5	47%	0.467	49%	0.487	S	S	.	.	H	α-helix	trans	-65.7	-45.2	174.4	-69.8	167.6	0	0	0	109.6	I48 S49 K55 L56	I48-I52 HydrophobicContact CG2-CD1 3.73Å; I48-I52 HydrophobicContact CG2-CG1 4.35Å; I48-I52 VanDerWaalsContact O-CG1 3.28Å; I48-I52 WeakPolarHBondContact O-CG1 3.44Å; I48-I52 PolarHBondContact O-N 3.47Å; S49-I52 PolarHBondContact O-N 3.38Å; I52-K55 PolarHBondContact O-N 3.39Å; I52-L56 HydrophobicContact CG2-CD1 3.62Å; I52-L56 HydrophobicContact CG2-CG 4.25Å; I52-L56 WeakPolarHBondContact O-CB 3.46Å; I52-L56 VanDerWaalsContact O-CG 3.26Å; I52-L56 WeakPolarHBondContact O-CG 3.27Å; I52-L56 PolarHBondContact O-N 3.4Å
53	Y	41.6	Very low	41.4	Very low	166 Å²	166	96.3 Å²	96.3	65%	0.651	48%	0.475	S	S	*	.	H	α-helix	trans	-57.2	-55.5	175.3	-172.4	-94.2	0	0	0	110.8	S49 K55 L56 S57	S49-Y53 WeakPolarHBondContact O-CB 3.33Å; S49-Y53 PolarHBondContact O-N 3.15Å; Y53-K55 VanDerWaalsContact C-N 3.28Å; Y53-K55 PolarHBondContact O-N 3Å; Y53-L56 PolarHBondContact O-N 2.88Å; Y53-S57 WeakPolarHBondContact O-CB 3.42Å; Y53-S57 PolarHBondContact O-N 3.23Å; Y53-S57 PolarHBondContact O-OG 2.87Å
54	L	44.5	Very low	41	Very low	70 Å²	70	89.7 Å²	89.7	37%	0.366	45%	0.451	S	S	.	.	H	α-helix	trans	-59.8	-34.5	179.1	-75.7	165.9	0	0	0	113.6	L21 Q50 A58	L21-L54 HydrophobicContact CD2-CD1 4.33Å; Q50-L54 WeakPolarHBondContact O-CB 3.4Å; Q50-L54 WeakPolarHBondContact O-CG 2.96Å; Q50-L54 PolarHBondContact O-N 3.23Å; L54-A58 VanDerWaalsContact O-CB 3.25Å; L54-A58 WeakPolarHBondContact O-CB 3.38Å; L54-A58 PolarHBondContact O-N 3.24Å
55	K	42.4	Very low	40.3	Very low	100 Å²	100	93.6 Å²	93.6	44%	0.435	47%	0.469	S	S	.	.	H	α-helix	trans	-73.6	-40.7	177.6	-163.2	176.8	-176.2	-174.5	0	111.8	F29 C51 I52 Y53 A58 E59	F29-K55 VanDerWaalsContact CE2-NZ 3.26Å; C51-K55 VanDerWaalsContact O-CB 3.24Å; C51-K55 WeakPolarHBondContact O-CB 3.29Å; C51-K55 PolarHBondContact O-N 2.89Å; I52-K55 PolarHBondContact O-N 3.39Å; Y53-K55 VanDerWaalsContact C-N 3.28Å; Y53-K55 PolarHBondContact O-N 3Å; K55-A58 PolarHBondContact O-N 3.11Å; K55-E59 WeakPolarHBondContact O-CB 3.47Å; K55-E59 PolarHBondContact O-N 2.99Å
56	L	41.3	Very low	39.9	Very low	102 Å²	102	97.6 Å²	97.6	53%	0.534	48%	0.481	S	S	.	.	H	α-helix	trans	-64.9	-44.7	172.1	-72.2	169.1	0	0	0	110.6	I52 Y53 A58 E59 V60	I52-L56 HydrophobicContact CG2-CD1 3.62Å; I52-L56 HydrophobicContact CG2-CG 4.25Å; I52-L56 WeakPolarHBondContact O-CB 3.46Å; I52-L56 VanDerWaalsContact O-CG 3.26Å; I52-L56 WeakPolarHBondContact O-CG 3.27Å; I52-L56 PolarHBondContact O-N 3.4Å; Y53-L56 PolarHBondContact O-N 2.88Å; L56-A58 PolarHBondContact O-N 3.48Å; L56-E59 PolarHBondContact O-N 3.08Å; L56-V60 WeakPolarHBondContact O-CB 3.35Å; L56-V60 WeakPolarHBondContact O-CG2 3.49Å; L56-V60 PolarHBondContact O-N 2.94Å
57	S	41.9	Very low	39.8	Very low	47 Å²	47	98.6 Å²	98.6	33%	0.329	48%	0.479	S	S	.	.	H	α-helix	trans	-61.1	-43.1	176.2	-50.6	0	0	0	0	111.6	Y53 F61	Y53-S57 WeakPolarHBondContact O-CB 3.42Å; Y53-S57 PolarHBondContact O-N 3.23Å; Y53-S57 PolarHBondContact O-OG 2.87Å; S57-F61 WeakPolarHBondContact O-CB 3.33Å; S57-F61 PolarHBondContact O-N 3.46Å
58	A	37.2	Very low	40	Very low	39 Å²	39	100.4 Å²	100.4	32%	0.322	49%	0.485	S	S	.	.	H	α-helix	trans	-70.9	-39.7	178.2	0	0	0	0	0	113	L54 K55 L56 F61 F62	L54-A58 VanDerWaalsContact O-CB 3.25Å; L54-A58 WeakPolarHBondContact O-CB 3.38Å; L54-A58 PolarHBondContact O-N 3.24Å; K55-A58 PolarHBondContact O-N 3.11Å; L56-A58 PolarHBondContact O-N 3.48Å; A58-F61 PolarHBondContact O-N 3.44Å; A58-F62 PolarHBondContact O-N 2.9Å
59	E	36.8	Very low	40.3	Very low	97 Å²	97	105.4 Å²	105.4	45%	0.453	51%	0.511	S	S	.	.	H	α-helix	trans	-69.3	-34.6	175.3	-80.6	-172.9	-164	0	0	112.4	K55 L56 K63	K55-E59 WeakPolarHBondContact O-CB 3.47Å; K55-E59 PolarHBondContact O-N 2.99Å; L56-E59 PolarHBondContact O-N 3.08Å; E59-K63 WeakPolarHBondContact O-CB 3.3Å; E59-K63 WeakPolarHBondContact O-CG 3.47Å; E59-K63 PolarHBondContact O-N 3.49Å; E59-K63 VanDerWaalsContact O-N 3.13Å
60	V	37.9	Very low	41.6	Very low	101 Å²	101	105.9 Å²	105.9	61%	0.612	51%	0.511	S	S	*	.	H	α-helix	trans	-69.2	-43.9	173.3	170.4	0	0	0	0	110.4	L56 K63 G64	L56-V60 WeakPolarHBondContact O-CB 3.35Å; L56-V60 WeakPolarHBondContact O-CG2 3.49Å; L56-V60 PolarHBondContact O-N 2.94Å; V60-K63 PolarHBondContact O-N 3.5Å; V60-G64 WeakPolarHBondContact O-CA 3.41Å; V60-G64 PolarHBondContact O-N 3.47Å
61	F	32.4	Very low	42.6	Very low	143 Å²	143	102.8 Å²	102.8	63%	0.627	50%	0.498	S	S	*	.	H	α-helix	trans	-65.5	-46.2	-179.9	-157.2	-90.6	0	0	0	112.3	S57 A58	S57-F61 WeakPolarHBondContact O-CB 3.33Å; S57-F61 PolarHBondContact O-N 3.46Å; A58-F61 PolarHBondContact O-N 3.44Å
62	F	32.9	Very low	43.5	Very low	176 Å²	176	106.7 Å²	106.7	77%	0.772	51%	0.513	S	S	*	.	H	α-helix	trans	-75	-23.5	179.2	-88.5	-81.3	0	0	0	114.3	A58	A58-F62 PolarHBondContact O-N 2.9Å
63	K	34	Very low	44.7	Very low	98 Å²	98	109.8 Å²	109.8	43%	0.426	52%	0.52	S	S	.	.	H	α-helix	trans	-87.6	-26.4	172.6	-78.6	169.7	169.5	167.9	0	113	E59 V60 R67	E59-K63 WeakPolarHBondContact O-CB 3.3Å; E59-K63 WeakPolarHBondContact O-CG 3.47Å; E59-K63 PolarHBondContact O-N 3.49Å; E59-K63 VanDerWaalsContact O-N 3.13Å; V60-K63 PolarHBondContact O-N 3.5Å; K63-R67 VanDerWaalsContact CD-NH2 3.31Å; K63-R67 WeakPolarHBondContact O-CB 3.39Å; K63-R67 VanDerWaalsContact O-CD 3.26Å; K63-R67 WeakPolarHBondContact O-CD 3.21Å; K63-R67 WeakPolarHBondContact O-CG 3.49Å
64	G	34	Very low	46.3	Very low	18 Å²	18	103.7 Å²	103.7	19%	0.186	50%	0.498	C	S	.	.	H	α-helix	trans	-67.6	-49.1	-178.1	0	0	0	0	0	112.6	V60 R66 R67 D68	V60-G64 WeakPolarHBondContact O-CA 3.41Å; V60-G64 PolarHBondContact O-N 3.47Å; G64-R66 VanDerWaalsContact C-N 3.26Å; G64-R66 PolarHBondContact O-N 2.94Å; G64-R67 PolarHBondContact O-N 2.82Å; G64-D68 WeakPolarHBondContact O-CB 3.45Å; G64-D68 VanDerWaalsContact O-CG 3.3Å; G64-D68 PolarHBondContact O-N 3.23Å
65	E	33.7	Very low	47.7	Very low	142 Å²	142	101.6 Å²	101.6	66%	0.664	49%	0.487	S	S	*	.	H	α-helix	trans	-63.8	-25.6	-168.7	-143.9	169.8	-160.5	0	0	114.6
66	R	35.5	Very low	48.9	Very low	223 Å²	223	99.3 Å²	99.3	84%	0.842	48%	0.484	S	S	*	.	H	α-helix	trans	-95.7	-23.9	175.6	-115	-176.5	-166.2	172	5.1	114.3	G64 T70	G64-R66 VanDerWaalsContact C-N 3.26Å; G64-R66 PolarHBondContact O-N 2.94Å; R66-T70 PolarHBondContact O-OG1 3.45Å
67	R	40.8	Very low	50.7	Low	149 Å²	149	99 Å²	99	56%	0.562	48%	0.476	S	S	*	.	H	α-helix	trans	-87.1	-33.4	-177.8	-70.6	176.6	-167.2	178.6	-5.1	111.7	K63 G64 L69 T70 L71	K63-R67 VanDerWaalsContact CD-NH2 3.31Å; K63-R67 WeakPolarHBondContact O-CB 3.39Å; K63-R67 VanDerWaalsContact O-CD 3.26Å; K63-R67 WeakPolarHBondContact O-CD 3.21Å; K63-R67 WeakPolarHBondContact O-CG 3.49Å; G64-R67 PolarHBondContact O-N 2.82Å; R67-L69 PolarHBondContact O-N 2.92Å; R67-T70 PolarHBondContact O-N 2.87Å; R67-L71 VanDerWaalsContact O-CB 3.32Å; R67-L71 WeakPolarHBondContact O-CB 3.22Å; R67-L71 PolarHBondContact O-N 2.91Å
68	D	50.5	Low	52.7	Low	89 Å²	89	96.7 Å²	96.7	48%	0.476	46%	0.46	S	S	.	.	H	α-helix	trans	-62.2	-46.2	-175.2	-75.3	-21	0	0	0	112.3	G64 T70 L71 E72	G64-D68 WeakPolarHBondContact O-CB 3.45Å; G64-D68 VanDerWaalsContact O-CG 3.3Å; G64-D68 PolarHBondContact O-N 3.23Å; D68-T70 VanDerWaalsContact C-N 3.33Å; D68-T70 PolarHBondContact O-N 2.96Å; D68-L71 PolarHBondContact O-N 3.34Å; D68-E72 WeakPolarHBondContact O-CB 3.32Å; D68-E72 PolarHBondContact O-N 3.18Å
69	L	51.9	Low	54.5	Low	126 Å²	126	96.8 Å²	96.8	66%	0.66	46%	0.455	S	S	*	.	H	α-helix	trans	-64.1	-36.5	179.9	-66.8	172.4	0	0	0	113.2	R67 Y73	R67-L69 PolarHBondContact O-N 2.92Å; L69-Y73 WeakPolarHBondContact O-CB 3.36Å; L69-Y73 PolarHBondContact O-N 2.75Å
70	T	68	Low	56.4	Low	86 Å²	86	97.3 Å²	97.3	53%	0.528	45%	0.453	S	S	.	.	H	α-helix	trans	-73.3	-42.7	180	-47.6	0	0	0	0	110.4	R66 R67 D68 Y73 I74	R66-T70 PolarHBondContact O-OG1 3.45Å; R67-T70 PolarHBondContact O-N 2.87Å; D68-T70 VanDerWaalsContact C-N 3.33Å; D68-T70 PolarHBondContact O-N 2.96Å; T70-Y73 PolarHBondContact O-N 3.05Å; T70-I74 HydrophobicContact CG2-CD1 4.14Å; T70-I74 WeakPolarHBondContact O-CD1 3.49Å; T70-I74 WeakPolarHBondContact O-CG1 3.28Å; T70-I74 PolarHBondContact O-N 3.35Å
71	L	66.8	Low	58.4	Low	62 Å²	62	92.6 Å²	92.6	33%	0.325	43%	0.425	S	S	.	.	H	α-helix	trans	-67.9	-43.9	-179.7	-176.5	60.9	0	0	0	111.8	R67 D68 Y73 I74 I75 P128	R67-L71 VanDerWaalsContact O-CB 3.32Å; R67-L71 WeakPolarHBondContact O-CB 3.22Å; R67-L71 PolarHBondContact O-N 2.91Å; D68-L71 PolarHBondContact O-N 3.34Å; L71-Y73 VanDerWaalsContact C-N 3.33Å; L71-Y73 PolarHBondContact O-N 3.45Å; L71-I74 WeakPolarHBondContact O-CB 3.45Å; L71-I74 PolarHBondContact O-N 3.38Å; L71-I75 HydrophobicContact CD1-CD1 4.21Å; L71-I75 HydrophobicContact CD1-CG1 4.42Å; L71-I75 HydrophobicContact CG-CD1 3.87Å; L71-I75 HydrophobicContact CG-CG1 4.48Å; L71-I75 WeakPolarHBondContact O-CB 3.28Å; L71-I75 VanDerWaalsContact O-CG1 3.28Å; L71-I75 WeakPolarHBondContact O-CG1 3.34Å; L71-I75 PolarHBondContact O-N 3.2Å; L71-P128 HydrophobicContact CD1-CB 4.08Å; L71-P128 HydrophobicContact CD1-CG 3.98Å
72	E	63.8	Low	60.8	Low	116 Å²	116	86 Å²	86	54%	0.542	40%	0.395	S	S	.	.	H	α-helix	trans	-60.8	-43.4	176.3	-172.2	-178.7	-178.7	0	0	111.2	D68 I74 I75 S76	D68-E72 WeakPolarHBondContact O-CB 3.32Å; D68-E72 PolarHBondContact O-N 3.18Å; E72-I74 PolarHBondContact O-N 3.23Å; E72-I75 PolarHBondContact O-N 3.04Å; E72-S76 VanDerWaalsContact O-CB 3.3Å; E72-S76 WeakPolarHBondContact O-CB 3.49Å; E72-S76 PolarHBondContact O-N 2.92Å
73	Y	70.3	Confident	62.7	Low	156 Å²	156	81.8 Å²	81.8	61%	0.612	38%	0.379	S	S	*	.	H	α-helix	trans	-60.8	-44	174.3	-174.5	-90.2	0	0	0	112.3	L69 T70 L71 S76 Y77	L69-Y73 WeakPolarHBondContact O-CB 3.36Å; L69-Y73 PolarHBondContact O-N 2.75Å; T70-Y73 PolarHBondContact O-N 3.05Å; L71-Y73 VanDerWaalsContact C-N 3.33Å; L71-Y73 PolarHBondContact O-N 3.45Å; Y73-S76 PolarHBondContact O-N 2.74Å; Y73-Y77 VanDerWaalsContact O-CB 3.32Å; Y73-Y77 WeakPolarHBondContact O-CB 3.41Å; Y73-Y77 PolarHBondContact O-N 3.21Å
74	I	75.7	Confident	64.7	Low	37 Å²	37	84 Å²	84	19%	0.19	39%	0.389	C	S	.	.	H	α-helix	trans	-60.9	-49.3	175.7	-72.2	165.3	0	0	0	110.3	T70 L71 E72 S76 Y77 E78 P128 F134	T70-I74 HydrophobicContact CG2-CD1 4.14Å; T70-I74 WeakPolarHBondContact O-CD1 3.49Å; T70-I74 WeakPolarHBondContact O-CG1 3.28Å; T70-I74 PolarHBondContact O-N 3.35Å; L71-I74 WeakPolarHBondContact O-CB 3.45Å; L71-I74 PolarHBondContact O-N 3.38Å; E72-I74 PolarHBondContact O-N 3.23Å; I74-S76 PolarHBondContact O-N 3.42Å; I74-Y77 PolarHBondContact O-N 3.41Å; I74-E78 HydrophobicContact CG2-CG 4.41Å; I74-E78 WeakPolarHBondContact O-CB 3.24Å; I74-E78 WeakPolarHBondContact O-CG 3.37Å; I74-E78 PolarHBondContact O-N 3.11Å; I74-P128 HydrophobicContact CG2-CB 4.27Å; I74-F134 HydrophobicContact CD1-CE1 4.21Å; I74-F134 HydrophobicContact CD1-CZ 3.95Å; I74-F134 HydrophobicContact CG2-CD1 4.39Å; I74-F134 HydrophobicContact CG2-CE1 3.53Å; I74-F134 HydrophobicContact CG2-CZ 4.15Å
75	I	74	Confident	67	Low	27 Å²	27	84.2 Å²	84.2	14%	0.138	39%	0.388	C	S	.	.	H	α-helix	trans	-60	-47	179.7	-73.1	168.4	0	0	0	110.5	L71 E72 Y77 E78 N79 P128	L71-I75 HydrophobicContact CD1-CD1 4.21Å; L71-I75 HydrophobicContact CD1-CG1 4.42Å; L71-I75 HydrophobicContact CG-CD1 3.87Å; L71-I75 HydrophobicContact CG-CG1 4.48Å; L71-I75 WeakPolarHBondContact O-CB 3.28Å; L71-I75 VanDerWaalsContact O-CG1 3.28Å; L71-I75 WeakPolarHBondContact O-CG1 3.34Å; L71-I75 PolarHBondContact O-N 3.2Å; E72-I75 PolarHBondContact O-N 3.04Å; I75-Y77 PolarHBondContact O-N 2.79Å; I75-E78 PolarHBondContact O-N 2.86Å; I75-N79 WeakPolarHBondContact O-CB 3.49Å; I75-N79 PolarHBondContact O-N 3.28Å; I75-N79 PolarHBondContact O-ND2 3.38Å; I75-P128 HydrophobicContact CG1-CB 4.42Å
76	S	67.5	Low	69.5	Low	52 Å²	52	81 Å²	81	36%	0.364	38%	0.381	S	S	.	.	H	α-helix	trans	-60.1	-45.2	177.2	-178.6	0	0	0	0	111.3	E72 Y73 I74 N79 R80	E72-S76 VanDerWaalsContact O-CB 3.3Å; E72-S76 WeakPolarHBondContact O-CB 3.49Å; E72-S76 PolarHBondContact O-N 2.92Å; Y73-S76 PolarHBondContact O-N 2.74Å; I74-S76 PolarHBondContact O-N 3.42Å; S76-N79 PolarHBondContact O-N 3.15Å; S76-R80 WeakPolarHBondContact O-CG 3.45Å; S76-R80 PolarHBondContact O-N 3.24Å
77	Y	78.9	Confident	71.9	Confident	94 Å²	94	71.6 Å²	71.6	37%	0.369	35%	0.351	S	S	.	.	H	α-helix	trans	-61.7	-46	175.4	175	-105.7	0	0	0	112.8	Y73 I74 I75 R80 I81 Y93	Y73-Y77 VanDerWaalsContact O-CB 3.32Å; Y73-Y77 WeakPolarHBondContact O-CB 3.41Å; Y73-Y77 PolarHBondContact O-N 3.21Å; I74-Y77 PolarHBondContact O-N 3.41Å; I75-Y77 PolarHBondContact O-N 2.79Å; Y77-R80 WeakPolarHBondContact O-CB 3.05Å; Y77-R80 PolarHBondContact O-N 2.97Å; Y77-I81 HydrophobicContact CD1-CD1 4.02Å; Y77-I81 HydrophobicContact CE1-CD1 3.32Å; Y77-I81 HydrophobicContact CE1-CG1 4.1Å; Y77-I81 HydrophobicContact CE2-CD1 4.37Å; Y77-I81 HydrophobicContact CE2-CG1 4.4Å; Y77-I81 PolarHBondContact O-N 3.41Å; Y77-Y93 AromaticContact CE1-CE2 3.86Å; Y77-Y93 HydrophobicContact CE1-CE2 3.86Å
78	E	83.8	Confident	74.1	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-66.4	-37.8	178.3	-73.2	-171.2	177.1	0	0	112.5	I74 I75 R80 I81 R82 Y93 F94 P128 Q129	I74-E78 HydrophobicContact CG2-CG 4.41Å; I74-E78 WeakPolarHBondContact O-CB 3.24Å; I74-E78 WeakPolarHBondContact O-CG 3.37Å; I74-E78 PolarHBondContact O-N 3.11Å; I75-E78 PolarHBondContact O-N 2.86Å; E78-R80 VanDerWaalsContact C-N 3.31Å; E78-R80 PolarHBondContact O-N 3.45Å; E78-I81 WeakPolarHBondContact O-CB 3.24Å; E78-I81 PolarHBondContact O-N 3.07Å; E78-I81 VanDerWaalsContact O-N 3.15Å; E78-R82 WeakPolarHBondContact O-CG 2.77Å; E78-R82 PolarHBondContact O-N 3.45Å; E78-R82 IonicContact OE2-NH2 3.2Å; E78-Y93 HydrophobicContact CG-CE1 3.72Å; E78-Y93 WeakPolarHBondContact CG-OH 3.16Å; E78-Y93 PolarHBondContact OE1-OH 3.19Å; E78-Y93 VanDerWaalsContact OE1-OH 3.13Å; E78-F94 HydrophobicContact CB-CZ 4.35Å; E78-P128 VanDerWaalsContact OE2-CA 3.22Å; E78-P128 WeakPolarHBondContact OE2-CA 3.23Å; E78-Q129 WeakPolarHBondContact OE1-CB 3.12Å; E78-Q129 PolarHBondContact OE1-N 3.03Å; E78-Q129 VanDerWaalsContact OE1-N 3.12Å; E78-Q129 PolarHBondContact OE2-N 3.37Å
79	N	75.7	Confident	75.8	Confident	40 Å²	40	67.3 Å²	67.3	21%	0.214	34%	0.335	C	S	.	.	H	α-helix	trans	-60.7	-42	172.1	-72	-16.3	0	0	0	110.8	I75 S76 R82 M83 P125 G126	I75-N79 WeakPolarHBondContact O-CB 3.49Å; I75-N79 PolarHBondContact O-N 3.28Å; I75-N79 PolarHBondContact O-ND2 3.38Å; S76-N79 PolarHBondContact O-N 3.15Å; N79-R82 PolarHBondContact O-N 2.99Å; N79-R82 PolarHBondContact OD1-NH1 3.39Å; N79-M83 VanDerWaalsContact O-CB 3.29Å; N79-M83 WeakPolarHBondContact O-CB 3.27Å; N79-M83 WeakPolarHBondContact O-CG 3.44Å; N79-M83 PolarHBondContact O-N 3.44Å; N79-P125 VanDerWaalsContact OD1-CA 3.22Å; N79-P125 WeakPolarHBondContact OD1-CA 3.48Å; N79-P125 WeakPolarHBondContact OD1-CB 3.45Å; N79-G126 PolarHBondContact OD1-N 2.93Å
80	R	76	Confident	77.5	Confident	108 Å²	108	61.5 Å²	61.5	41%	0.408	31%	0.305	S	S	.	.	H	α-helix	trans	-63.5	-38.9	172.2	-69.4	-176.3	-62.2	-127.8	0.4	112.5	S76 Y77 E78 M83 F84	S76-R80 WeakPolarHBondContact O-CG 3.45Å; S76-R80 PolarHBondContact O-N 3.24Å; Y77-R80 WeakPolarHBondContact O-CB 3.05Å; Y77-R80 PolarHBondContact O-N 2.97Å; E78-R80 VanDerWaalsContact C-N 3.31Å; E78-R80 PolarHBondContact O-N 3.45Å; R80-M83 PolarHBondContact O-N 3.33Å; R80-F84 HydrophobicContact CB-CD2 4.26Å; R80-F84 HydrophobicContact CG-CD2 4.5Å; R80-F84 HydrophobicContact CG-CE2 4.49Å; R80-F84 WeakPolarHBondContact O-CD2 3.25Å; R80-F84 PolarHBondContact O-N 2.68Å
81	I	80.7	Confident	78.4	Confident	3 Å²	3	57.8 Å²	57.8	2%	0.015	28%	0.281	C	S	.	.	H	α-helix	trans	-59.8	-53	173.3	-74.2	-176.9	0	0	0	109.8	Y77 E78 M83 S85 V90 Y93 F94	Y77-I81 HydrophobicContact CD1-CD1 4.02Å; Y77-I81 HydrophobicContact CE1-CD1 3.32Å; Y77-I81 HydrophobicContact CE1-CG1 4.1Å; Y77-I81 HydrophobicContact CE2-CD1 4.37Å; Y77-I81 HydrophobicContact CE2-CG1 4.4Å; Y77-I81 PolarHBondContact O-N 3.41Å; E78-I81 WeakPolarHBondContact O-CB 3.24Å; E78-I81 PolarHBondContact O-N 3.07Å; E78-I81 VanDerWaalsContact O-N 3.15Å; I81-M83 VanDerWaalsContact C-N 3.27Å; I81-M83 PolarHBondContact O-N 2.94Å; I81-S85 WeakPolarHBondContact O-CB 3.37Å; I81-S85 PolarHBondContact O-N 2.9Å; I81-S85 PolarHBondContact O-OG 3.37Å; I81-V90 HydrophobicContact CG2-CG2 4.12Å; I81-Y93 HydrophobicContact CD1-CD1 4.1Å; I81-Y93 HydrophobicContact CD1-CD2 3.36Å; I81-Y93 HydrophobicContact CD1-CE1 4.12Å; I81-Y93 HydrophobicContact CD1-CE2 3.36Å; I81-Y93 HydrophobicContact CD1-CG 3.74Å; I81-Y93 HydrophobicContact CG2-CD1 4.46Å; I81-Y93 HydrophobicContact CG2-CG 4.33Å; I81-F94 HydrophobicContact CG2-CE2 4.19Å
82	R	81.1	Confident	79.4	Confident	3 Å²	3	62 Å²	62	1%	0.011	29%	0.293	C	S	.	.	H	α-helix	trans	-51.2	-54.4	176.6	-68.6	177.3	-172.5	106.2	6.9	108.2	E78 N79 F94 R121 S122 T124 M127 R362	E78-R82 WeakPolarHBondContact O-CG 2.77Å; E78-R82 PolarHBondContact O-N 3.45Å; E78-R82 IonicContact OE2-NH2 3.2Å; N79-R82 PolarHBondContact O-N 2.99Å; N79-R82 PolarHBondContact OD1-NH1 3.39Å; R82-F94 HydrophobicContact CG-CE2 3.97Å; R82-F94 HydrophobicContact CG-CZ 4.02Å; R82-F94 VanDerWaalsContact NH2-CE1 3.3Å; R82-R121 PolarHBondContact NE-O 2.69Å; R82-R121 PolarHBondContact NH2-O 3.1Å; R82-S122 WeakPolarHBondContact CG-O 3.41Å; R82-T124 PolarHBondContact NE-O 2.87Å; R82-T124 PolarHBondContact NH1-O 2.83Å; R82-T124 PolarHBondContact NH2-O 2.88Å; R82-T124 VanDerWaalsContact NH2-O 3.15Å; R82-M127 PolarHBondContact NH2-O 3.44Å; R82-R362 WeakPolarHBondContact O-CD 3.07Å; R82-R362 PolarHBondContact O-NE 3.29Å; R82-R362 PolarHBondContact O-NH1 3.08Å
83	M	73.4	Confident	80.5	Confident	89 Å²	89	57.2 Å²	57.2	44%	0.438	27%	0.27	S	S	.	.	H	α-helix	trans	-63	-45.8	-173.2	-73.3	178.9	74.7	0	0	116.6	N79 R80 I81 R362	N79-M83 VanDerWaalsContact O-CB 3.29Å; N79-M83 WeakPolarHBondContact O-CB 3.27Å; N79-M83 WeakPolarHBondContact O-CG 3.44Å; N79-M83 PolarHBondContact O-N 3.44Å; R80-M83 PolarHBondContact O-N 3.33Å; I81-M83 VanDerWaalsContact C-N 3.27Å; I81-M83 PolarHBondContact O-N 2.94Å; M83-R362 VanDerWaalsContact CA-NE 3.29Å; M83-R362 VanDerWaalsContact CA-NH2 3.3Å; M83-R362 VanDerWaalsContact O-CD 3.22Å; M83-R362 WeakPolarHBondContact O-CD 3.47Å; M83-R362 WeakPolarHBondContact O-CG 3.05Å; M83-R362 PolarHBondContact O-NE 3.35Å
84	F	77	Confident	81.3	Confident	145 Å²	145	49.8 Å²	49.8	64%	0.636	24%	0.241	S	C	*	.	H	α-helix	trans	-123.5	-7.7	-162.7	-55.3	-65.9	0	0	0	113.9	R80	R80-F84 HydrophobicContact CB-CD2 4.26Å; R80-F84 HydrophobicContact CG-CD2 4.5Å; R80-F84 HydrophobicContact CG-CE2 4.49Å; R80-F84 WeakPolarHBondContact O-CD2 3.25Å; R80-F84 PolarHBondContact O-N 2.68Å
85	S	82.8	Confident	81.9	Confident	21 Å²	21	48.9 Å²	48.9	15%	0.147	24%	0.239	C	C	.	.	S	Bend	trans	-85.1	155.7	179	-63.1	0	0	0	0	112.4	I81	I81-S85 WeakPolarHBondContact O-CB 3.37Å; I81-S85 PolarHBondContact O-N 2.9Å; I81-S85 PolarHBondContact O-OG 3.37Å
86	S	85.7	Confident	82.3	Confident	75 Å²	75	49.4 Å²	49.4	52%	0.524	25%	0.245	S	C	.	.			trans	-61.5	149.8	171.4	69.3	0	0	0	0	110.9	N88 K89 V90	S86-N88 PolarHBondContact O-N 3.06Å; S86-N88 VanDerWaalsContact O-N 3.1Å; S86-K89 WeakPolarHBondContact O-CA 3.28Å; S86-K89 WeakPolarHBondContact O-CB 3.43Å; S86-K89 PolarHBondContact O-N 2.98Å; S86-K89 WeakPolarHBondContact OG-CB 3.45Å; S86-K89 PolarHBondContact OG-N 3.5Å; S86-V90 WeakPolarHBondContact O-CG2 3.25Å; S86-V90 PolarHBondContact O-N 3.48Å
87	A	85.4	Confident	82.9	Confident	26 Å²	26	48 Å²	48	22%	0.215	23%	0.234	C	C	.	.	H	α-helix	trans	-55.4	-32.5	178.7	0	0	0	0	0	112.7	F91 Y164 I165 L168	A87-F91 VanDerWaalsContact O-CB 3.24Å; A87-F91 WeakPolarHBondContact O-CB 3.41Å; A87-F91 PolarHBondContact O-N 3.1Å; A87-Y164 HydrophobicContact CB-CE1 4.18Å; A87-Y164 WeakPolarHBondContact O-CE1 3.28Å; A87-I165 HydrophobicContact CB-CD1 3.44Å; A87-I165 VanDerWaalsContact CB-CD1 3.44Å; A87-L168 HydrophobicContact CB-CD1 4.44Å
88	N	86.2	Confident	83	Confident	57 Å²	57	47.7 Å²	47.7	31%	0.305	24%	0.235	S	C	.	.	H	α-helix	trans	-65.7	-44.4	173.8	-171.3	-54.9	0	0	0	112.1	S86 F91 R92 F161	S86-N88 PolarHBondContact O-N 3.06Å; S86-N88 VanDerWaalsContact O-N 3.1Å; N88-F91 PolarHBondContact O-N 3.19Å; N88-R92 WeakPolarHBondContact O-CB 3.45Å; N88-R92 WeakPolarHBondContact O-CG 3.37Å; N88-R92 PolarHBondContact O-N 3.42Å; N88-R92 VanDerWaalsContact OD1-CD 3.28Å; N88-R92 WeakPolarHBondContact OD1-CD 3.46Å; N88-R92 PolarHBondContact OD1-NE 3.21Å; N88-F161 VanDerWaalsContact CA-CE2 3.45Å; N88-F161 HydrophobicContact CB-CE2 3.92Å; N88-F161 HydrophobicContact CB-CZ 3.89Å
89	K	86.8	Confident	82.7	Confident	90 Å²	90	51.5 Å²	51.5	39%	0.391	25%	0.254	S	S	.	.	H	α-helix	trans	-65	-42.2	177.1	177.3	170.2	174.6	-174.9	0	111.4	S86 R92 Y93	S86-K89 WeakPolarHBondContact O-CA 3.28Å; S86-K89 WeakPolarHBondContact O-CB 3.43Å; S86-K89 PolarHBondContact O-N 2.98Å; S86-K89 WeakPolarHBondContact OG-CB 3.45Å; S86-K89 PolarHBondContact OG-N 3.5Å; K89-R92 PolarHBondContact O-N 2.67Å; K89-Y93 VanDerWaalsContact O-CB 3.23Å; K89-Y93 WeakPolarHBondContact O-CB 3.04Å; K89-Y93 PolarHBondContact O-N 3.27Å
90	V	87.1	Confident	82.7	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.03	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-49.7	174	180	0	0	0	0	110.2	I81 S86 R92 Y93 F94 Y164	I81-V90 HydrophobicContact CG2-CG2 4.12Å; S86-V90 WeakPolarHBondContact O-CG2 3.25Å; S86-V90 PolarHBondContact O-N 3.48Å; V90-R92 PolarHBondContact O-N 2.92Å; V90-Y93 PolarHBondContact O-N 2.98Å; V90-F94 HydrophobicContact CG1-CD2 3.76Å; V90-F94 HydrophobicContact CG1-CE2 4.02Å; V90-F94 WeakPolarHBondContact O-CD2 3.27Å; V90-F94 PolarHBondContact O-N 3.38Å; V90-Y164 WeakPolarHBondContact CG1-OH 3.4Å
91	F	88	Confident	82.6	Confident	7 Å²	7	51.7 Å²	51.7	3%	0.031	27%	0.265	C	S	.	.	H	α-helix	trans	-54.8	-51.9	177.3	177.4	-95.9	0	0	0	112.2	A87 N88 Y93 F94 A95 V112 M114 F161 Y164	A87-F91 VanDerWaalsContact O-CB 3.24Å; A87-F91 WeakPolarHBondContact O-CB 3.41Å; A87-F91 PolarHBondContact O-N 3.1Å; N88-F91 PolarHBondContact O-N 3.19Å; F91-Y93 VanDerWaalsContact C-N 3.29Å; F91-Y93 PolarHBondContact O-N 3.13Å; F91-F94 PolarHBondContact O-N 3.25Å; F91-A95 WeakPolarHBondContact O-CB 3.33Å; F91-A95 PolarHBondContact O-N 2.99Å; F91-V112 HydrophobicContact CE1-CB 4.27Å; F91-V112 HydrophobicContact CE1-CG1 4.05Å; F91-V112 WeakPolarHBondContact CE1-O 3.32Å; F91-V112 VanDerWaalsContact CZ-O 3.31Å; F91-V112 WeakPolarHBondContact CZ-O 3.27Å; F91-M114 HydrophobicContact CB-CE 4.45Å; F91-M114 HydrophobicContact CD2-CE 3.98Å; F91-M114 HydrophobicContact CD2-CG 3.82Å; F91-M114 HydrophobicContact CD2-SD 3.42Å; F91-M114 WeakPolarHBondContact CD2-SD 3.15Å; F91-M114 HydrophobicContact CE2-CB 4.13Å; F91-M114 HydrophobicContact CE2-CG 3.6Å; F91-M114 HydrophobicContact CE2-SD 3.74Å; F91-M114 HydrophobicContact CG-CE 4.45Å; F91-M114 HydrophobicContact CG-SD 4.41Å; F91-M114 HydrophobicContact CZ-CG 4.35Å; F91-M114 WeakPolarHBondContact O-CE 3.43Å; F91-F161 HydrophobicContact CB-CD2 3.78Å; F91-F161 HydrophobicContact CB-CE2 4.18Å; F91-F161 HydrophobicContact CD1-CB 4.06Å; F91-F161 AromaticContact CD1-CD2 3.9Å; F91-F161 HydrophobicContact CD1-CD2 3.9Å; F91-F161 HydrophobicContact CD1-CG 4.41Å; F91-F161 HydrophobicContact CD2-CD2 4.19Å; F91-F161 HydrophobicContact CE1-CB 3.89Å; F91-F161 HydrophobicContact CE2-CB 4.38Å; F91-F161 HydrophobicContact CG-CB 4.39Å; F91-F161 AromaticContact CG-CD2 3.69Å; F91-F161 HydrophobicContact CG-CD2 3.69Å; F91-F161 HydrophobicContact CZ-CB 4.06Å; F91-Y164 HydrophobicContact CB-CD1 3.96Å; F91-Y164 HydrophobicContact CB-CE1 4.01Å; F91-Y164 HydrophobicContact CB-CG 4.49Å; F91-Y164 AromaticContact CD2-CD1 3.92Å; F91-Y164 HydrophobicContact CD2-CD1 3.92Å; F91-Y164 HydrophobicContact CD2-CD2 4.14Å; F91-Y164 AromaticContact CD2-CG 3.64Å; F91-Y164 HydrophobicContact CD2-CG 3.64Å; F91-Y164 HydrophobicContact CE2-CG 4.39Å; F91-Y164 HydrophobicContact CG-CD1 4.34Å; F91-Y164 HydrophobicContact CG-CG 4.49Å
92	R	87.4	Confident	82.1	Confident	150 Å²	150	57.4 Å²	57.4	57%	0.566	30%	0.296	S	S	*	.	H	α-helix	trans	-67	-29.2	-179.6	-72.5	-177.1	173.5	-164.5	-1.3	113.6	N88 K89 V90	N88-R92 WeakPolarHBondContact O-CB 3.45Å; N88-R92 WeakPolarHBondContact O-CG 3.37Å; N88-R92 PolarHBondContact O-N 3.42Å; N88-R92 VanDerWaalsContact OD1-CD 3.28Å; N88-R92 WeakPolarHBondContact OD1-CD 3.46Å; N88-R92 PolarHBondContact OD1-NE 3.21Å; K89-R92 PolarHBondContact O-N 2.67Å; V90-R92 PolarHBondContact O-N 2.92Å
93	Y	87.5	Confident	81.5	Confident	17 Å²	17	66.7 Å²	66.7	7%	0.067	34%	0.34	C	S	.	.	H	α-helix	trans	-71.5	-46	178.3	-175.6	-88.3	0	0	0	111.2	Y77 E78 I81 K89 V90 F91 Q129	Y77-Y93 AromaticContact CE1-CE2 3.86Å; Y77-Y93 HydrophobicContact CE1-CE2 3.86Å; E78-Y93 HydrophobicContact CG-CE1 3.72Å; E78-Y93 WeakPolarHBondContact CG-OH 3.16Å; E78-Y93 PolarHBondContact OE1-OH 3.19Å; E78-Y93 VanDerWaalsContact OE1-OH 3.13Å; I81-Y93 HydrophobicContact CD1-CD1 4.1Å; I81-Y93 HydrophobicContact CD1-CD2 3.36Å; I81-Y93 HydrophobicContact CD1-CE1 4.12Å; I81-Y93 HydrophobicContact CD1-CE2 3.36Å; I81-Y93 HydrophobicContact CD1-CG 3.74Å; I81-Y93 HydrophobicContact CG2-CD1 4.46Å; I81-Y93 HydrophobicContact CG2-CG 4.33Å; K89-Y93 VanDerWaalsContact O-CB 3.23Å; K89-Y93 WeakPolarHBondContact O-CB 3.04Å; K89-Y93 PolarHBondContact O-N 3.27Å; V90-Y93 PolarHBondContact O-N 2.98Å; F91-Y93 VanDerWaalsContact C-N 3.29Å; F91-Y93 PolarHBondContact O-N 3.13Å; Y93-Q129 PolarHBondContact O-NE2 3.29Å
94	F	87.5	Confident	81.1	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-89.5	-13.3	-174.9	-72.4	-77.2	0	0	0	114.5	E78 I81 R82 V90 F91 S96 M114 D118 R121 Q129	E78-F94 HydrophobicContact CB-CZ 4.35Å; I81-F94 HydrophobicContact CG2-CE2 4.19Å; R82-F94 HydrophobicContact CG-CE2 3.97Å; R82-F94 HydrophobicContact CG-CZ 4.02Å; R82-F94 VanDerWaalsContact NH2-CE1 3.3Å; V90-F94 HydrophobicContact CG1-CD2 3.76Å; V90-F94 HydrophobicContact CG1-CE2 4.02Å; V90-F94 WeakPolarHBondContact O-CD2 3.27Å; V90-F94 PolarHBondContact O-N 3.38Å; F91-F94 PolarHBondContact O-N 3.25Å; F94-S96 PolarHBondContact O-N 3.29Å; F94-M114 HydrophobicContact CB-CE 3.52Å; F94-D118 VanDerWaalsContact O-CB 3.27Å; F94-D118 WeakPolarHBondContact O-CB 3.37Å; F94-D118 VanDerWaalsContact O-CG 3.25Å; F94-R121 HydrophobicContact CD1-CB 4.16Å; F94-Q129 VanDerWaalsContact CD1-OE1 3.3Å
95	A	87.3	Confident	80.5	Confident	17 Å²	17	63.4 Å²	63.4	14%	0.14	34%	0.338	C	S	.	.			trans	-65.6	127.2	177.7	0	0	0	0	0	112.3	F91 V112 F113 M114	F91-A95 WeakPolarHBondContact O-CB 3.33Å; F91-A95 PolarHBondContact O-N 2.99Å; A95-V112 HydrophobicContact CB-CG1 3.36Å; A95-F113 WeakPolarHBondContact CB-O 3.41Å; A95-M114 HydrophobicContact CB-CG 3.96Å
96	S	82.2	Confident	79.5	Confident	39 Å²	39	68.5 Å²	68.5	27%	0.273	37%	0.371	S	S	.	.			trans	-99.9	-10.6	178.1	67.7	0	0	0	0	114	F94 D118	F94-S96 PolarHBondContact O-N 3.29Å; S96-D118 WeakPolarHBondContact CB-OD1 3.48Å; S96-D118 VanDerWaalsContact CB-OD2 3.3Å; S96-D118 WeakPolarHBondContact CB-OD2 3.47Å; S96-D118 PolarHBondContact N-OD2 2.87Å; S96-D118 VanDerWaalsContact OG-CG 3.25Å; S96-D118 PolarHBondContact OG-OD1 3.3Å; S96-D118 PolarHBondContact OG-OD2 3.2Å
97	V	81.5	Confident	78.5	Confident	21 Å²	21	68.5 Å²	68.5	13%	0.127	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.2	-174.1	-178.2	0	0	0	0	110.8	I99 V112 F113 T115 L158	V97-I99 HydrophobicContact CG1-CG1 4.32Å; V97-V112 WeakPolarHBondContact O-CA 3.45Å; V97-F113 HydrophobicContact CB-CB 4.16Å; V97-F113 HydrophobicContact CG1-CB 4.31Å; V97-F113 PolarHBondContact N-O 2.68Å; V97-F113 PolarHBondContact O-N 3.17Å; V97-F113 VanDerWaalsContact O-O 3.11Å; V97-T115 HydrophobicContact CG2-CG2 3.83Å; V97-L158 HydrophobicContact CB-CD2 4.29Å; V97-L158 HydrophobicContact CG1-CD1 4.26Å; V97-L158 HydrophobicContact CG1-CD2 4.16Å; V97-L158 HydrophobicContact CG2-CD2 4.02Å
98	K	80.2	Confident	77.6	Confident	89 Å²	89	72.4 Å²	72.4	39%	0.387	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	119.8	171.1	-174.9	175.9	178.9	-178	0	109.1	A110 E111 V112 I137	K98-A110 HydrophobicContact CD-CB 4.36Å; K98-A110 HydrophobicContact CG-CB 4.17Å; K98-E111 CarbonylContact C-O 3.55Å; K98-E111 WeakPolarHBondContact CA-O 3.11Å; K98-V112 HydrophobicContact CG-CG2 4.2Å; K98-I137 HydrophobicContact CD-CG2 4.16Å
99	I	78.1	Confident	76.8	Confident	80 Å²	80	77.6 Å²	77.6	41%	0.41	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	121.7	176.2	-58.5	-174.7	0	0	0	107.4	V97 A110 E111 F113 L158	V97-I99 HydrophobicContact CG1-CG1 4.32Å; I99-A110 CarbonylContact O-C 3.51Å; I99-A110 VanDerWaalsContact O-CA 3.25Å; I99-A110 WeakPolarHBondContact O-CA 3.27Å; I99-A110 WeakPolarHBondContact O-CB 3.49Å; I99-E111 PolarHBondContact N-O 2.95Å; I99-E111 PolarHBondContact O-N 3.46Å; I99-F113 HydrophobicContact CB-CD2 4.45Å; I99-F113 HydrophobicContact CB-CE2 4.14Å; I99-F113 HydrophobicContact CD1-CD2 3.71Å; I99-F113 HydrophobicContact CD1-CE2 3.48Å; I99-F113 VanDerWaalsContact CD1-CE2 3.48Å; I99-F113 HydrophobicContact CD1-CZ 4.3Å; I99-F113 HydrophobicContact CG1-CD2 3.81Å; I99-F113 HydrophobicContact CG1-CE2 3.83Å; I99-L158 HydrophobicContact CD1-CD1 3.99Å
100	L	74.7	Confident	76.3	Confident	101 Å²	101	75 Å²	75	53%	0.529	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-80.3	147.5	175	-63.9	177.1	0	0	0	109.4	A110	L100-A110 HydrophobicContact CD2-CB 3.92Å
101	P	73.6	Confident	76	Confident	50 Å²	50	77.9 Å²	77.9	33%	0.325	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-59.9	150.1	172	31.1	-38.9	0	0	0	110.3	K108	P101-K108 HydrophobicContact CB-CB 3.56Å; P101-K108 WeakPolarHBondContact CB-O 3.11Å; P101-K108 WeakPolarHBondContact CG-O 3.19Å
102	D	70.1	Confident	75.8	Confident	124 Å²	124	79.4 Å²	79.4	66%	0.663	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-63.6	140.8	168.9	-76.5	-31.5	0	0	0	109.5	S104 D105	D102-S104 WeakPolarHBondContact CB-OG 3.48Å; D102-S104 PolarHBondContact O-N 2.57Å; D102-D105 PolarHBondContact O-N 2.96Å
103	E	68.7	Low	75.6	Confident	198 Å²	198	73.5 Å²	73.5	93%	0.925	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-17	-178.4	-65.7	-175.1	178.2	0	0	113.2	D105	E103-D105 VanDerWaalsContact C-N 3.32Å; E103-D105 PolarHBondContact O-N 3.26Å
104	S	66.6	Low	75.4	Confident	105 Å²	105	72.7 Å²	72.7	73%	0.734	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-18.3	176.9	45	0	0	0	0	114.5	D102	D102-S104 WeakPolarHBondContact CB-OG 3.48Å; D102-S104 PolarHBondContact O-N 2.57Å
105	D	63.1	Low	75.1	Confident	59 Å²	59	73 Å²	73	32%	0.316	41%	0.405	S	S	.	.			trans	-133	87.4	-177.8	-170.6	-3.7	0	0	0	111.6	D102 E103 A107 K108	D102-D105 PolarHBondContact O-N 2.96Å; E103-D105 VanDerWaalsContact C-N 3.32Å; E103-D105 PolarHBondContact O-N 3.26Å; D105-A107 PolarHBondContact O-N 3.49Å; D105-A107 VanDerWaalsContact O-N 3.08Å; D105-A107 WeakPolarHBondContact OD1-CB 3.4Å; D105-A107 PolarHBondContact OD1-N 3.23Å; D105-K108 HydrophobicContact CB-CD 4.36Å; D105-K108 PolarHBondContact O-N 3.25Å; D105-K108 VanDerWaalsContact O-N 3.15Å; D105-K108 WeakPolarHBondContact OD2-CE 3.36Å; D105-K108 WeakPolarHBondContact OD2-CG 3.49Å; D105-K108 IonicContact OD2-NZ 3.92Å
106	P	61.9	Low	74.5	Confident	128 Å²	128	72.9 Å²	72.9	83%	0.831	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-9.2	-179	26.5	-33.5	0	0	0	113.6
107	A	64	Low	74.1	Confident	76 Å²	76	74.6 Å²	74.6	63%	0.628	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-16.8	176.3	0	0	0	0	0	113.1	D105	D105-A107 PolarHBondContact O-N 3.49Å; D105-A107 VanDerWaalsContact O-N 3.08Å; D105-A107 WeakPolarHBondContact OD1-CB 3.4Å; D105-A107 PolarHBondContact OD1-N 3.23Å
108	K	67.5	Low	74.2	Confident	108 Å²	108	73.6 Å²	73.6	47%	0.47	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-77.7	129.9	178.1	-83.6	177.1	-176.6	167.4	0	111.3	P101 D105	P101-K108 HydrophobicContact CB-CB 3.56Å; P101-K108 WeakPolarHBondContact CB-O 3.11Å; P101-K108 WeakPolarHBondContact CG-O 3.19Å; D105-K108 HydrophobicContact CB-CD 4.36Å; D105-K108 PolarHBondContact O-N 3.25Å; D105-K108 VanDerWaalsContact O-N 3.15Å; D105-K108 WeakPolarHBondContact OD2-CE 3.36Å; D105-K108 WeakPolarHBondContact OD2-CG 3.49Å; D105-K108 IonicContact OD2-NZ 3.92Å
109	H	69.4	Low	74.3	Confident	165 Å²	165	69.6 Å²	69.6	76%	0.764	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-83.6	151.1	172.3	-63	-53.6	0	0	0	110.9	E111	H109-E111 PolarHBondContact O-N 2.96Å
110	A	76.2	Confident	74	Confident	35 Å²	35	66.3 Å²	66.3	29%	0.289	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-63.4	131.7	173.1	0	0	0	0	0	111.1	K98 I99 L100	K98-A110 HydrophobicContact CD-CB 4.36Å; K98-A110 HydrophobicContact CG-CB 4.17Å; I99-A110 CarbonylContact O-C 3.51Å; I99-A110 VanDerWaalsContact O-CA 3.25Å; I99-A110 WeakPolarHBondContact O-CA 3.27Å; I99-A110 WeakPolarHBondContact O-CB 3.49Å; L100-A110 HydrophobicContact CD2-CB 3.92Å
111	E	80.5	Confident	74.3	Confident	67 Å²	67	63.4 Å²	63.4	31%	0.313	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	144.7	-179.1	-69.8	178.7	-164.3	0	0	110.7	K98 I99 H109 F113 W379	K98-E111 CarbonylContact C-O 3.55Å; K98-E111 WeakPolarHBondContact CA-O 3.11Å; I99-E111 PolarHBondContact N-O 2.95Å; I99-E111 PolarHBondContact O-N 3.46Å; H109-E111 PolarHBondContact O-N 2.96Å; E111-F113 HydrophobicContact CB-CD2 4.39Å; E111-F113 HydrophobicContact CB-CE2 3.54Å; E111-F113 HydrophobicContact CB-CZ 4.04Å; E111-F113 WeakPolarHBondContact OE2-CZ 3.26Å; E111-W379 PolarHBondContact OE1-NE1 3.23Å
112	V	83.5	Confident	74.8	Confident	38 Å²	38	61.1 Å²	61.1	23%	0.23	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133.1	-176.7	178.7	0	0	0	0	108.6	F91 A95 V97 K98	F91-V112 HydrophobicContact CE1-CB 4.27Å; F91-V112 HydrophobicContact CE1-CG1 4.05Å; F91-V112 WeakPolarHBondContact CE1-O 3.32Å; F91-V112 VanDerWaalsContact CZ-O 3.31Å; F91-V112 WeakPolarHBondContact CZ-O 3.27Å; A95-V112 HydrophobicContact CB-CG1 3.36Å; V97-V112 WeakPolarHBondContact O-CA 3.45Å; K98-V112 HydrophobicContact CG-CG2 4.2Å
113	F	84.6	Confident	75	Confident	26 Å²	26	56.3 Å²	56.3	11%	0.114	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	151.6	-177.2	-63.9	-89.2	0	0	0	111.1	A95 V97 I99 E111 L158 I159	A95-F113 WeakPolarHBondContact CB-O 3.41Å; V97-F113 HydrophobicContact CB-CB 4.16Å; V97-F113 HydrophobicContact CG1-CB 4.31Å; V97-F113 PolarHBondContact N-O 2.68Å; V97-F113 PolarHBondContact O-N 3.17Å; V97-F113 VanDerWaalsContact O-O 3.11Å; I99-F113 HydrophobicContact CB-CD2 4.45Å; I99-F113 HydrophobicContact CB-CE2 4.14Å; I99-F113 HydrophobicContact CD1-CD2 3.71Å; I99-F113 HydrophobicContact CD1-CE2 3.48Å; I99-F113 VanDerWaalsContact CD1-CE2 3.48Å; I99-F113 HydrophobicContact CD1-CZ 4.3Å; I99-F113 HydrophobicContact CG1-CD2 3.81Å; I99-F113 HydrophobicContact CG1-CE2 3.83Å; E111-F113 HydrophobicContact CB-CD2 4.39Å; E111-F113 HydrophobicContact CB-CE2 3.54Å; E111-F113 HydrophobicContact CB-CZ 4.04Å; E111-F113 WeakPolarHBondContact OE2-CZ 3.26Å; F113-L158 HydrophobicContact CB-CB 3.99Å; F113-L158 HydrophobicContact CB-CD1 4.26Å; F113-L158 HydrophobicContact CB-CD2 4.26Å; F113-L158 HydrophobicContact CB-CG 4.4Å; F113-L158 HydrophobicContact CD1-CB 3.89Å; F113-L158 HydrophobicContact CD2-CD1 4.47Å; F113-L158 HydrophobicContact CG-CB 4.1Å; F113-L158 HydrophobicContact CG-CD1 4.19Å; F113-I159 WeakPolarHBondContact CA-O 3.27Å
114	M	82.1	Confident	75	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-98.6	141.9	169.2	-80.7	-179.3	154.7	0	0	110.3	F91 F94 A95 D118 F119 I159 Y164	F91-M114 HydrophobicContact CB-CE 4.45Å; F91-M114 HydrophobicContact CD2-CE 3.98Å; F91-M114 HydrophobicContact CD2-CG 3.82Å; F91-M114 HydrophobicContact CD2-SD 3.42Å; F91-M114 WeakPolarHBondContact CD2-SD 3.15Å; F91-M114 HydrophobicContact CE2-CB 4.13Å; F91-M114 HydrophobicContact CE2-CG 3.6Å; F91-M114 HydrophobicContact CE2-SD 3.74Å; F91-M114 HydrophobicContact CG-CE 4.45Å; F91-M114 HydrophobicContact CG-SD 4.41Å; F91-M114 HydrophobicContact CZ-CG 4.35Å; F91-M114 WeakPolarHBondContact O-CE 3.43Å; F94-M114 HydrophobicContact CB-CE 3.52Å; A95-M114 HydrophobicContact CB-CG 3.96Å; M114-D118 HydrophobicContact CB-CB 3.84Å; M114-D118 HydrophobicContact CG-CB 3.81Å; M114-F119 HydrophobicContact SD-CB 4.46Å; M114-I159 HydrophobicContact CB-CB 4.04Å; M114-I159 PolarHBondContact N-O 3.38Å; M114-I159 PolarHBondContact O-N 3.47Å; M114-Y164 HydrophobicContact CE-CE2 4.32Å; M114-Y164 HydrophobicContact SD-CD2 3.67Å; M114-Y164 HydrophobicContact SD-CE2 4Å; M114-Y164 HydrophobicContact SD-CG 4.36Å
115	T	80.7	Confident	75	Confident	7 Å²	7	45.4 Å²	45.4	4%	0.043	25%	0.249	C	C	.	.			trans	-74.6	161.8	157.3	67.8	0	0	0	0	109.6	V97 Y117 D118 F119 I148	V97-T115 HydrophobicContact CG2-CG2 3.83Å; T115-Y117 PolarHBondContact O-N 3.18Å; T115-Y117 PolarHBondContact OG1-N 3.22Å; T115-D118 PolarHBondContact N-OD2 2.71Å; T115-D118 WeakPolarHBondContact O-CB 3.46Å; T115-D118 PolarHBondContact O-N 3.1Å; T115-D118 PolarHBondContact OG1-N 3.19Å; T115-D118 PolarHBondContact OG1-OD1 3.02Å; T115-D118 PolarHBondContact OG1-OD2 3.5Å; T115-F119 PolarHBondContact O-N 3.09Å; T115-I148 HydrophobicContact CG2-CD1 3.65Å
116	P	76.5	Confident	74.9	Confident	14 Å²	14	42.7 Å²	42.7	9%	0.091	24%	0.235	C	C	.	.	H	α-helix	trans	-53.2	-35.9	169.9	-27.9	36.2	0	0	0	112.5	F119 L120 F153 V157	P116-F119 WeakPolarHBondContact O-CB 3.3Å; P116-F119 PolarHBondContact O-N 3.29Å; P116-L120 WeakPolarHBondContact O-CD1 3.25Å; P116-L120 WeakPolarHBondContact O-CG 3.2Å; P116-L120 PolarHBondContact O-N 3.38Å; P116-L120 VanDerWaalsContact O-N 3.08Å; P116-F153 HydrophobicContact CB-CD1 4.15Å; P116-F153 HydrophobicContact CB-CD2 3.65Å; P116-F153 HydrophobicContact CB-CE1 4.24Å; P116-F153 HydrophobicContact CB-CE2 3.76Å; P116-F153 HydrophobicContact CB-CG 3.86Å; P116-F153 HydrophobicContact CB-CZ 4.06Å; P116-F153 HydrophobicContact CG-CB 3.98Å; P116-F153 HydrophobicContact CG-CD1 3.95Å; P116-F153 HydrophobicContact CG-CD2 3.99Å; P116-F153 HydrophobicContact CG-CE1 4.46Å; P116-F153 HydrophobicContact CG-CE2 4.5Å; P116-F153 HydrophobicContact CG-CG 3.69Å; P116-V157 WeakPolarHBondContact CD-O 3.17Å; P116-V157 HydrophobicContact CG-CG1 4.44Å
117	Y	73.6	Confident	75.3	Confident	76 Å²	76	37.7 Å²	37.7	30%	0.298	20%	0.201	S	C	.	.	H	α-helix	trans	-66.8	-38.9	175	-67.2	-67	0	0	0	113.4	T115 F119 L120 R121 I148 D150 F236	T115-Y117 PolarHBondContact O-N 3.18Å; T115-Y117 PolarHBondContact OG1-N 3.22Å; Y117-F119 VanDerWaalsContact C-N 3.34Å; Y117-L120 PolarHBondContact O-N 2.89Å; Y117-R121 WeakPolarHBondContact O-CG 3.14Å; Y117-R121 PolarHBondContact O-N 2.83Å; Y117-I148 HydrophobicContact CE2-CG2 4.23Å; Y117-D150 VanDerWaalsContact OH-CG 3.3Å; Y117-D150 PolarHBondContact OH-OD2 3.18Å; Y117-F236 HydrophobicContact CD1-CE1 4.35Å; Y117-F236 HydrophobicContact CD1-CZ 4.01Å; Y117-F236 HydrophobicContact CE1-CZ 4.18Å
118	D	83.6	Confident	75.7	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.1	-43.8	173.6	-63.2	-20.4	0	0	0	111.2	F94 S96 M114 T115 L120 R121 S122	F94-D118 VanDerWaalsContact O-CB 3.27Å; F94-D118 WeakPolarHBondContact O-CB 3.37Å; F94-D118 VanDerWaalsContact O-CG 3.25Å; S96-D118 WeakPolarHBondContact CB-OD1 3.48Å; S96-D118 VanDerWaalsContact CB-OD2 3.3Å; S96-D118 WeakPolarHBondContact CB-OD2 3.47Å; S96-D118 PolarHBondContact N-OD2 2.87Å; S96-D118 VanDerWaalsContact OG-CG 3.25Å; S96-D118 PolarHBondContact OG-OD1 3.3Å; S96-D118 PolarHBondContact OG-OD2 3.2Å; M114-D118 HydrophobicContact CB-CB 3.84Å; M114-D118 HydrophobicContact CG-CB 3.81Å; T115-D118 PolarHBondContact N-OD2 2.71Å; T115-D118 WeakPolarHBondContact O-CB 3.46Å; T115-D118 PolarHBondContact O-N 3.1Å; T115-D118 PolarHBondContact OG1-N 3.19Å; T115-D118 PolarHBondContact OG1-OD1 3.02Å; T115-D118 PolarHBondContact OG1-OD2 3.5Å; D118-L120 VanDerWaalsContact C-N 3.31Å; D118-L120 PolarHBondContact O-N 2.89Å; D118-R121 PolarHBondContact O-N 3.44Å; D118-R121 IonicContact OD1-CZ 3.64Å; D118-R121 IonicContact OD1-NH2 2.64Å; D118-R121 PolarHBondContact OD1-NH2 3.06Å; D118-S122 WeakPolarHBondContact O-CB 3.48Å; D118-S122 PolarHBondContact O-N 3.47Å
119	F	82.2	Confident	76.1	Confident	4 Å²	4	30.9 Å²	30.9	2%	0.018	16%	0.161	C	C	.	.	H	α-helix	trans	-58.1	-46	176.6	176.1	-114.3	0	0	0	111.2	M114 T115 P116 Y117 S122 L123 I159 Y164 L167 L168 L171 F232	M114-F119 HydrophobicContact SD-CB 4.46Å; T115-F119 PolarHBondContact O-N 3.09Å; P116-F119 WeakPolarHBondContact O-CB 3.3Å; P116-F119 PolarHBondContact O-N 3.29Å; Y117-F119 VanDerWaalsContact C-N 3.34Å; F119-S122 WeakPolarHBondContact O-CB 3.48Å; F119-S122 PolarHBondContact O-N 3.42Å; F119-S122 PolarHBondContact O-OG 2.93Å; F119-L123 HydrophobicContact CD1-CD1 4.42Å; F119-L123 HydrophobicContact CD2-CD1 4.38Å; F119-L123 HydrophobicContact CE1-CD1 3.81Å; F119-L123 HydrophobicContact CE2-CD1 3.8Å; F119-L123 HydrophobicContact CZ-CD1 3.47Å; F119-L123 VanDerWaalsContact CZ-CD1 3.47Å; F119-L123 PolarHBondContact O-N 3.18Å; F119-I159 HydrophobicContact CB-CD1 3.72Å; F119-I159 HydrophobicContact CG-CD1 4.11Å; F119-Y164 AromaticContact CD2-CD2 3.48Å; F119-Y164 HydrophobicContact CD2-CD2 3.48Å; F119-Y164 VanDerWaalsContact CD2-CD2 3.48Å; F119-Y164 AromaticContact CD2-CE2 3.67Å; F119-Y164 HydrophobicContact CD2-CE2 3.67Å; F119-Y164 AromaticContact CE2-CD2 3.65Å; F119-Y164 HydrophobicContact CE2-CD2 3.65Å; F119-Y164 AromaticContact CE2-CE2 3.77Å; F119-Y164 HydrophobicContact CE2-CE2 3.77Å; F119-L167 HydrophobicContact CD1-CD1 4.39Å; F119-L167 HydrophobicContact CD2-CD1 4.48Å; F119-L167 HydrophobicContact CE1-CB 4.19Å; F119-L167 HydrophobicContact CE1-CD1 4.15Å; F119-L167 HydrophobicContact CE2-CB 3.85Å; F119-L167 HydrophobicContact CE2-CD1 4.23Å; F119-L167 HydrophobicContact CZ-CB 3.46Å; F119-L167 VanDerWaalsContact CZ-CB 3.46Å; F119-L167 HydrophobicContact CZ-CD1 4.05Å; F119-L167 HydrophobicContact CZ-CG 4.35Å; F119-L168 HydrophobicContact CE2-CD2 4.24Å; F119-L171 HydrophobicContact CE1-CD1 3.93Å; F119-L171 HydrophobicContact CZ-CD1 3.62Å; F119-F232 HydrophobicContact CE1-CE2 4.17Å
120	L	72.2	Confident	76.4	Confident	12 Å²	12	25.4 Å²	25.4	6%	0.063	14%	0.14	C	C	.	.	H	α-helix	trans	-63.8	-44	179.2	-65.5	154.8	0	0	0	111.6	P116 Y117 D118 S122 L123 T124 F232 F236	P116-L120 WeakPolarHBondContact O-CD1 3.25Å; P116-L120 WeakPolarHBondContact O-CG 3.2Å; P116-L120 PolarHBondContact O-N 3.38Å; P116-L120 VanDerWaalsContact O-N 3.08Å; Y117-L120 PolarHBondContact O-N 2.89Å; D118-L120 VanDerWaalsContact C-N 3.31Å; D118-L120 PolarHBondContact O-N 2.89Å; L120-S122 VanDerWaalsContact C-N 3.31Å; L120-S122 PolarHBondContact O-N 3.34Å; L120-L123 PolarHBondContact O-N 2.89Å; L120-T124 WeakPolarHBondContact O-CB 3.05Å; L120-T124 PolarHBondContact O-N 3.3Å; L120-T124 VanDerWaalsContact O-N 3.1Å; L120-T124 PolarHBondContact O-OG1 3.04Å; L120-F232 HydrophobicContact CD2-CD2 3.13Å; L120-F232 HydrophobicContact CD2-CE2 3.3Å; L120-F232 HydrophobicContact CD2-CG 4.02Å; L120-F232 HydrophobicContact CD2-CZ 4.3Å; L120-F232 HydrophobicContact CG-CE2 4.45Å; L120-F236 HydrophobicContact CB-CD1 3.64Å; L120-F236 HydrophobicContact CB-CD2 4.17Å; L120-F236 HydrophobicContact CB-CE1 3.64Å; L120-F236 HydrophobicContact CB-CE2 4.2Å; L120-F236 HydrophobicContact CB-CG 3.91Å; L120-F236 HydrophobicContact CB-CZ 3.94Å; L120-F236 HydrophobicContact CD1-CD2 3.98Å; L120-F236 HydrophobicContact CD1-CE1 3.89Å; L120-F236 HydrophobicContact CD1-CE2 3.3Å; L120-F236 HydrophobicContact CD1-CZ 3.24Å; L120-F236 HydrophobicContact CD2-CD2 3.64Å; L120-F236 HydrophobicContact CD2-CE2 3.86Å; L120-F236 HydrophobicContact CD2-CG 4.07Å; L120-F236 HydrophobicContact CD2-CZ 4.41Å; L120-F236 HydrophobicContact CG-CD1 4.41Å; L120-F236 HydrophobicContact CG-CD2 4.1Å; L120-F236 HydrophobicContact CG-CE1 4.23Å; L120-F236 HydrophobicContact CG-CE2 3.93Å; L120-F236 HydrophobicContact CG-CG 4.35Å; L120-F236 HydrophobicContact CG-CZ 3.99Å
121	R	79.8	Confident	75.8	Confident	40 Å²	40	32.4 Å²	32.4	15%	0.151	17%	0.166	C	C	.	.	H	α-helix	trans	-62.8	-35.7	173.8	-76	-168.8	-65.8	-129.1	9.6	113.3	R82 F94 Y117 D118 L123 T124 P130	R82-R121 PolarHBondContact NE-O 2.69Å; R82-R121 PolarHBondContact NH2-O 3.1Å; F94-R121 HydrophobicContact CD1-CB 4.16Å; Y117-R121 WeakPolarHBondContact O-CG 3.14Å; Y117-R121 PolarHBondContact O-N 2.83Å; D118-R121 PolarHBondContact O-N 3.44Å; D118-R121 IonicContact OD1-CZ 3.64Å; D118-R121 IonicContact OD1-NH2 2.64Å; D118-R121 PolarHBondContact OD1-NH2 3.06Å; R121-L123 PolarHBondContact O-N 3.35Å; R121-T124 PolarHBondContact O-N 3.4Å; R121-P130 VanDerWaalsContact CZ-CD 3.48Å; R121-P130 VanDerWaalsContact NH1-CD 3.27Å
122	S	83.7	Confident	74.9	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.007	17%	0.168	C	C	.	.	H	α-helix	trans	-64.7	-22.6	178.5	83.3	0	0	0	0	112.9	R82 D118 F119 L120 Y164	R82-S122 WeakPolarHBondContact CG-O 3.41Å; D118-S122 WeakPolarHBondContact O-CB 3.48Å; D118-S122 PolarHBondContact O-N 3.47Å; F119-S122 WeakPolarHBondContact O-CB 3.48Å; F119-S122 PolarHBondContact O-N 3.42Å; F119-S122 PolarHBondContact O-OG 2.93Å; L120-S122 VanDerWaalsContact C-N 3.31Å; L120-S122 PolarHBondContact O-N 3.34Å; S122-Y164 WeakPolarHBondContact OG-CE2 2.93Å
123	L	75.6	Confident	73.7	Confident	23 Å²	23	33 Å²	33	12%	0.12	18%	0.176	C	C	.	.	H	α-helix	trans	-99.6	-23.1	-179.7	-72.6	174.8	0	0	0	113.7	F119 L120 R121 P125 L168 L171 F232 L358	F119-L123 HydrophobicContact CD1-CD1 4.42Å; F119-L123 HydrophobicContact CD2-CD1 4.38Å; F119-L123 HydrophobicContact CE1-CD1 3.81Å; F119-L123 HydrophobicContact CE2-CD1 3.8Å; F119-L123 HydrophobicContact CZ-CD1 3.47Å; F119-L123 VanDerWaalsContact CZ-CD1 3.47Å; F119-L123 PolarHBondContact O-N 3.18Å; L120-L123 PolarHBondContact O-N 2.89Å; R121-L123 PolarHBondContact O-N 3.35Å; L123-P125 WeakPolarHBondContact O-CD 2.93Å; L123-L168 HydrophobicContact CD1-CD2 4.26Å; L123-L168 HydrophobicContact CD2-CD2 3.43Å; L123-L168 VanDerWaalsContact CD2-CD2 3.43Å; L123-L168 HydrophobicContact CG-CD2 4.23Å; L123-L171 HydrophobicContact CD1-CD1 3.54Å; L123-F232 HydrophobicContact CB-CE2 4.42Å; L123-F232 HydrophobicContact CB-CZ 3.69Å; L123-F232 HydrophobicContact CD1-CE2 3.52Å; L123-F232 HydrophobicContact CD1-CZ 3.35Å; L123-F232 HydrophobicContact CG-CZ 4.14Å; L123-L358 HydrophobicContact CD2-CD1 4.32Å; L123-L358 HydrophobicContact CD2-CD2 4.24Å
124	T	67.5	Low	72.1	Confident	10 Å²	10	34.8 Å²	34.8	6%	0.061	18%	0.184	C	C	.	.			trans	-97.7	109.5	-168.3	-55.3	0	0	0	0	112.1	R82 L120 R121 M127 F236	R82-T124 PolarHBondContact NE-O 2.87Å; R82-T124 PolarHBondContact NH1-O 2.83Å; R82-T124 PolarHBondContact NH2-O 2.88Å; R82-T124 VanDerWaalsContact NH2-O 3.15Å; L120-T124 WeakPolarHBondContact O-CB 3.05Å; L120-T124 PolarHBondContact O-N 3.3Å; L120-T124 VanDerWaalsContact O-N 3.1Å; L120-T124 PolarHBondContact O-OG1 3.04Å; R121-T124 PolarHBondContact O-N 3.4Å; T124-M127 HydrophobicContact CG2-CB 4.32Å; T124-M127 HydrophobicContact CG2-CG 3.5Å; T124-F236 HydrophobicContact CG2-CB 4.46Å; T124-F236 WeakPolarHBondContact CG2-O 3.32Å
125	P	68.2	Low	70.6	Confident	65 Å²	65	36.1 Å²	36.1	42%	0.422	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	150.4	173.7	-20.3	34	0	0	0	112.2	N79 L123 M127	N79-P125 VanDerWaalsContact OD1-CA 3.22Å; N79-P125 WeakPolarHBondContact OD1-CA 3.48Å; N79-P125 WeakPolarHBondContact OD1-CB 3.45Å; L123-P125 WeakPolarHBondContact O-CD 2.93Å; P125-M127 PolarHBondContact O-N 2.84Å
126	G	61	Low	68.9	Low	2 Å²	2	43.7 Å²	43.7	2%	0.021	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	-12	178.1	0	0	0	0	0	115.3	N79 P128 R252	N79-G126 PolarHBondContact OD1-N 2.93Å; G126-P128 WeakPolarHBondContact O-CD 3.45Å; G126-R252 WeakPolarHBondContact O-CD 3.38Å; G126-R252 PolarHBondContact O-NE 3.16Å; G126-R252 PolarHBondContact O-NH1 3.14Å; G126-R252 VanDerWaalsContact O-NH1 3.12Å
127	M	68.7	Low	67.3	Low	22 Å²	22	48 Å²	48	11%	0.108	25%	0.252	C	S	.	.			trans	-89.8	105.9	176.5	-70.5	-64.5	-71	0	0	110.6	R82 T124 P125 P240 F248 R252	R82-M127 PolarHBondContact NH2-O 3.44Å; T124-M127 HydrophobicContact CG2-CB 4.32Å; T124-M127 HydrophobicContact CG2-CG 3.5Å; P125-M127 PolarHBondContact O-N 2.84Å; M127-P240 HydrophobicContact SD-CG 4.13Å; M127-F248 HydrophobicContact CE-CD1 4.08Å; M127-F248 HydrophobicContact CE-CE1 3.76Å; M127-R252 PolarHBondContact SD-NH1 2.87Å; M127-R252 PolarHBondContact SD-NH2 2.92Å
128	P	72.2	Confident	65.5	Low	38 Å²	38	48.1 Å²	48.1	25%	0.247	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-66.9	149.6	176.3	31.2	-38	0	0	0	111.3	L71 I74 I75 E78 G126	L71-P128 HydrophobicContact CD1-CB 4.08Å; L71-P128 HydrophobicContact CD1-CG 3.98Å; I74-P128 HydrophobicContact CG2-CB 4.27Å; I75-P128 HydrophobicContact CG1-CB 4.42Å; E78-P128 VanDerWaalsContact OE2-CA 3.22Å; E78-P128 WeakPolarHBondContact OE2-CA 3.23Å; G126-P128 WeakPolarHBondContact O-CD 3.45Å
129	Q	76.4	Confident	63.2	Low	3 Å²	3	55.2 Å²	55.2	1%	0.014	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-60.3	140.4	162.9	-170.5	112.3	-49.3	0	0	109.8	E78 Y93 F94 Q133 F134	E78-Q129 WeakPolarHBondContact OE1-CB 3.12Å; E78-Q129 PolarHBondContact OE1-N 3.03Å; E78-Q129 VanDerWaalsContact OE1-N 3.12Å; E78-Q129 PolarHBondContact OE2-N 3.37Å; Y93-Q129 PolarHBondContact O-NE2 3.29Å; F94-Q129 VanDerWaalsContact CD1-OE1 3.3Å; Q129-Q133 HydrophobicContact CG-CB 3.54Å; Q129-Q133 PolarHBondContact NE2-O 3.17Å; Q129-F134 HydrophobicContact CB-CD1 4.15Å; Q129-F134 HydrophobicContact CB-CE1 4.1Å; Q129-F134 WeakPolarHBondContact O-CE1 3.18Å; Q129-F134 VanDerWaalsContact O-CZ 3.29Å; Q129-F134 WeakPolarHBondContact O-CZ 3.35Å
130	P	75.4	Confident	60.9	Low	50 Å²	50	64.2 Å²	64.2	33%	0.325	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-54.9	146.2	175.4	-27.9	34.6	0	0	0	113	R121 G132 Q133	R121-P130 VanDerWaalsContact CZ-CD 3.48Å; R121-P130 VanDerWaalsContact NH1-CD 3.27Å; P130-G132 PolarHBondContact O-N 2.97Å; P130-Q133 WeakPolarHBondContact O-CB 3.35Å; P130-Q133 PolarHBondContact O-N 3.09Å
131	E	64.8	Low	59.2	Low	182 Å²	182	71.5 Å²	71.5	85%	0.85	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	132.3	176.7	-64.6	-174.3	175.4	0	0	111.2	F134	E131-F134 HydrophobicContact CB-CE2 4.39Å; E131-F134 HydrophobicContact CG-CE2 4.21Å
132	G	61.5	Low	57	Low	34 Å²	34	79.2 Å²	79.2	35%	0.351	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	-1.6	-174.5	0	0	0	0	0	115.5	P130 F139	P130-G132 PolarHBondContact O-N 2.97Å; G132-F139 WeakPolarHBondContact O-CD2 3.42Å
133	Q	57.8	Low	54.9	Low	84 Å²	84	83.7 Å²	83.7	39%	0.393	42%	0.418	S	S	.	.			trans	-109.1	4.2	172.1	-66.1	179.2	5.4	0	0	113	Q129 P130 G135	Q129-Q133 HydrophobicContact CG-CB 3.54Å; Q129-Q133 PolarHBondContact NE2-O 3.17Å; P130-Q133 WeakPolarHBondContact O-CB 3.35Å; P130-Q133 PolarHBondContact O-N 3.09Å; Q133-G135 PolarHBondContact O-N 2.8Å
134	F	51.6	Low	52.8	Low	64 Å²	64	90.8 Å²	90.8	28%	0.281	45%	0.448	S	S	.	.			trans	-61.6	131.7	-176.7	-68.5	-68.3	0	0	0	113.3	I74 Q129 E131	I74-F134 HydrophobicContact CD1-CE1 4.21Å; I74-F134 HydrophobicContact CD1-CZ 3.95Å; I74-F134 HydrophobicContact CG2-CD1 4.39Å; I74-F134 HydrophobicContact CG2-CE1 3.53Å; I74-F134 HydrophobicContact CG2-CZ 4.15Å; Q129-F134 HydrophobicContact CB-CD1 4.15Å; Q129-F134 HydrophobicContact CB-CE1 4.1Å; Q129-F134 WeakPolarHBondContact O-CE1 3.18Å; Q129-F134 VanDerWaalsContact O-CZ 3.29Å; Q129-F134 WeakPolarHBondContact O-CZ 3.35Å; E131-F134 HydrophobicContact CB-CE2 4.39Å; E131-F134 HydrophobicContact CG-CE2 4.21Å
135	G	49.7	Very low	51.2	Low	28 Å²	28	99.7 Å²	99.7	29%	0.289	49%	0.485	S	S	.	.	S	Bend	trans	45.6	110	150.9	0	0	0	0	0	119	Q133	Q133-G135 PolarHBondContact O-N 2.8Å
136	F	46.2	Very low	49.5	Very low	165 Å²	165	98.9 Å²	98.9	72%	0.724	48%	0.484	S	S	*	.	S	Bend	trans	59.2	72.4	168.2	-96.3	-91.3	0	0	0	114.9	S138	F136-S138 PolarHBondContact O-N 2.8Å; F136-S138 VanDerWaalsContact O-N 3.1Å
137	I	42.5	Very low	48.1	Very low	106 Å²	106	110.6 Å²	110.6	54%	0.544	53%	0.528	S	S	.	.	S	Bend	trans	44.9	55.5	156.5	-42.5	177.1	0	0	0	112.9	K98	K98-I137 HydrophobicContact CD-CG2 4.16Å
138	S	34.7	Very low	46.5	Very low	78 Å²	78	113 Å²	113	55%	0.545	54%	0.54	S	S	.	.			trans	-122	51.5	172.2	67	0	0	0	0	111.4	F136	F136-S138 PolarHBondContact O-N 2.8Å; F136-S138 VanDerWaalsContact O-N 3.1Å
139	F	34.7	Very low	44.5	Very low	148 Å²	148	115 Å²	115	65%	0.649	56%	0.56	S	S	*	*			trans	-148.9	95.8	153.9	-111.1	-83.6	0	0	0	110.4	G132 K141	G132-F139 WeakPolarHBondContact O-CD2 3.42Å; F139-K141 PolarHBondContact O-N 3.09Å
140	F	35.5	Very low	42.5	Very low	194 Å²	194	118.9 Å²	118.9	85%	0.851	58%	0.581	S	S	*	*			trans	-64.8	95.3	165.3	-74.3	-91.2	0	0	0	109.1
141	K	36.4	Very low	40.8	Very low	164 Å²	164	124.1 Å²	124.1	71%	0.713	61%	0.606	S	S	*	*			trans	-132	117.3	153.5	-89.2	-175.4	177.9	174.3	0	108.2	F139 L143	F139-K141 PolarHBondContact O-N 3.09Å; K141-L143 VanDerWaalsContact C-N 3.29Å; K141-L143 PolarHBondContact O-N 3.36Å
142	R	33.7	Very low	39.6	Very low	202 Å²	202	120.2 Å²	120.2	76%	0.762	59%	0.591	S	S	*	*			trans	-55.5	96.8	163.5	-159.9	175.3	100.4	175.6	10.1	106.6	K144	R142-K144 VanDerWaalsContact C-N 3.27Å; R142-K144 PolarHBondContact O-N 3.41Å
143	L	38.1	Very low	38.4	Very low	96 Å²	96	121.6 Å²	121.6	50%	0.503	59%	0.587	S	S	.	*			trans	-69.1	92.2	174.7	-81.2	175.8	0	0	0	107.3	K141 K145 A146	K141-L143 VanDerWaalsContact C-N 3.29Å; K141-L143 PolarHBondContact O-N 3.36Å; L143-K145 PolarHBondContact O-N 2.91Å; L143-A146 HydrophobicContact CD1-CB 4.39Å; L143-A146 HydrophobicContact CD2-CB 4.1Å
144	K	32.8	Very low	37.6	Very low	172 Å²	172	122.1 Å²	122.1	75%	0.748	60%	0.6	S	S	*	*	S	Bend	trans	-54.9	105.6	153.3	-77.8	-176.7	175.8	-179.4	0	105.6	R142 A146	R142-K144 VanDerWaalsContact C-N 3.27Å; R142-K144 PolarHBondContact O-N 3.41Å; K144-A146 PolarHBondContact O-N 3.22Å; K144-A146 VanDerWaalsContact O-N 3.14Å
145	K	33.5	Very low	37.1	Very low	196 Å²	196	126.3 Å²	126.3	85%	0.852	62%	0.618	S	S	*	*			trans	17.6	84.3	173.2	-84.1	-179.9	172.2	175.4	0	112.5	L143 R147	L143-K145 PolarHBondContact O-N 2.91Å; K145-R147 PolarHBondContact O-N 3.05Å
146	A	32.8	Very low	37.4	Very low	48 Å²	48	131.9 Å²	131.9	40%	0.397	64%	0.641	S	S	.	*			trans	-57.2	112.5	174.6	0	0	0	0	0	108.5	L143 K144 I148	L143-A146 HydrophobicContact CD1-CB 4.39Å; L143-A146 HydrophobicContact CD2-CB 4.1Å; K144-A146 PolarHBondContact O-N 3.22Å; K144-A146 VanDerWaalsContact O-N 3.14Å; A146-I148 VanDerWaalsContact C-N 3.29Å; A146-I148 HydrophobicContact CB-CG1 4.45Å; A146-I148 PolarHBondContact O-N 3.33Å
147	R	31.1	Very low	38.3	Very low	249 Å²	249	127 Å²	127	94%	0.94	63%	0.625	S	S	*	*			trans	-69	90.1	168.4	-72	178.5	179.8	169.5	-1.3	107.1	K145 A149	K145-R147 PolarHBondContact O-N 3.05Å; R147-A149 PolarHBondContact O-N 3.37Å
148	I	35.3	Very low	40.1	Very low	72 Å²	72	124.9 Å²	124.9	37%	0.369	61%	0.614	S	S	.	*			trans	-82.7	105.4	166	-58.4	176.9	0	0	0	105.7	T115 Y117 A146 D150	T115-I148 HydrophobicContact CG2-CD1 3.65Å; Y117-I148 HydrophobicContact CE2-CG2 4.23Å; A146-I148 VanDerWaalsContact C-N 3.29Å; A146-I148 HydrophobicContact CB-CG1 4.45Å; A146-I148 PolarHBondContact O-N 3.33Å; I148-D150 PolarHBondContact O-N 3.35Å
149	A	31.1	Very low	42.1	Very low	81 Å²	81	121.8 Å²	121.8	67%	0.669	59%	0.591	S	S	*	*			trans	-84.2	97.5	175.2	0	0	0	0	0	107.6	R147	R147-A149 PolarHBondContact O-N 3.37Å
150	D	34.2	Very low	44.3	Very low	84 Å²	84	115.6 Å²	115.6	45%	0.449	57%	0.567	S	S	.	*			trans	-160.3	139	157.8	-85.3	-38.7	0	0	0	110.7	Y117 I148 L152	Y117-D150 VanDerWaalsContact OH-CG 3.3Å; Y117-D150 PolarHBondContact OH-OD2 3.18Å; I148-D150 PolarHBondContact O-N 3.35Å; D150-L152 VanDerWaalsContact C-N 3.3Å; D150-L152 PolarHBondContact O-N 3.25Å
151	N	39.5	Very low	46.6	Very low	160 Å²	160	108.5 Å²	108.5	86%	0.856	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	4.4	-169.2	-68.2	-29.9	0	0	0	114.5
152	L	38	Very low	48.4	Very low	99 Å²	99	101.7 Å²	101.7	52%	0.518	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-24.4	-173.4	-160.7	65.1	0	0	0	113.6	D150 I231	D150-L152 VanDerWaalsContact C-N 3.3Å; D150-L152 PolarHBondContact O-N 3.25Å; L152-I231 HydrophobicContact CD2-CG2 3.93Å
153	F	37.9	Very low	50.4	Low	63 Å²	63	96.4 Å²	96.4	28%	0.276	49%	0.492	S	S	.	.	S	Bend	trans	-128.9	137.1	173.2	-69.8	-83.9	0	0	0	108.4	P116 K155 F228	P116-F153 HydrophobicContact CB-CD1 4.15Å; P116-F153 HydrophobicContact CB-CD2 3.65Å; P116-F153 HydrophobicContact CB-CE1 4.24Å; P116-F153 HydrophobicContact CB-CE2 3.76Å; P116-F153 HydrophobicContact CB-CG 3.86Å; P116-F153 HydrophobicContact CB-CZ 4.06Å; P116-F153 HydrophobicContact CG-CB 3.98Å; P116-F153 HydrophobicContact CG-CD1 3.95Å; P116-F153 HydrophobicContact CG-CD2 3.99Å; P116-F153 HydrophobicContact CG-CE1 4.46Å; P116-F153 HydrophobicContact CG-CE2 4.5Å; P116-F153 HydrophobicContact CG-CG 3.69Å; F153-K155 PolarHBondContact O-N 3.41Å; F153-F228 AromaticContact CE1-CE2 3.95Å; F153-F228 HydrophobicContact CE1-CE2 3.95Å; F153-F228 HydrophobicContact CE1-CZ 4.44Å; F153-F228 HydrophobicContact CZ-CE2 4.05Å; F153-F228 HydrophobicContact CZ-CZ 4.37Å
154	S	39.7	Very low	52.4	Low	95 Å²	95	92.1 Å²	92.1	66%	0.664	47%	0.469	S	S	*	.			trans	-51.6	134.9	176.2	-45.2	0	0	0	0	108.9	N156 V157	S154-N156 PolarHBondContact O-N 3.36Å; S154-V157 WeakPolarHBondContact O-CG2 3.41Å; S154-V157 PolarHBondContact O-N 2.94Å
155	K	42.7	Very low	54.4	Low	153 Å²	153	84 Å²	84	67%	0.665	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	1.9	-167	-65.6	173	178.7	172.9	0	116.7	F153	F153-K155 PolarHBondContact O-N 3.41Å
156	N	55.3	Low	56	Low	145 Å²	145	78.4 Å²	78.4	78%	0.775	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.3	11.3	-175	-59.6	-29.6	0	0	0	113.8	S154 L158	S154-N156 PolarHBondContact O-N 3.36Å; N156-L158 PolarHBondContact O-N 3.29Å; N156-L158 VanDerWaalsContact O-N 3.16Å
157	V	65.7	Low	57.8	Low	63 Å²	63	78 Å²	78	38%	0.382	40%	0.401	S	S	.	.			trans	-77.6	107.4	-178.6	-179	0	0	0	0	109.6	P116 S154	P116-V157 WeakPolarHBondContact CD-O 3.17Å; P116-V157 HydrophobicContact CG-CG1 4.44Å; S154-V157 WeakPolarHBondContact O-CG2 3.41Å; S154-V157 PolarHBondContact O-N 2.94Å
158	L	80.2	Confident	59.7	Low	60 Å²	60	66.6 Å²	66.6	31%	0.314	36%	0.358	S	S	.	.			trans	-107.3	139.5	168.9	-68.5	179.5	0	0	0	108.5	V97 I99 F113 N156	V97-L158 HydrophobicContact CB-CD2 4.29Å; V97-L158 HydrophobicContact CG1-CD1 4.26Å; V97-L158 HydrophobicContact CG1-CD2 4.16Å; V97-L158 HydrophobicContact CG2-CD2 4.02Å; I99-L158 HydrophobicContact CD1-CD1 3.99Å; F113-L158 HydrophobicContact CB-CB 3.99Å; F113-L158 HydrophobicContact CB-CD1 4.26Å; F113-L158 HydrophobicContact CB-CD2 4.26Å; F113-L158 HydrophobicContact CB-CG 4.4Å; F113-L158 HydrophobicContact CD1-CB 3.89Å; F113-L158 HydrophobicContact CD2-CD1 4.47Å; F113-L158 HydrophobicContact CG-CB 4.1Å; F113-L158 HydrophobicContact CG-CD1 4.19Å; N156-L158 PolarHBondContact O-N 3.29Å; N156-L158 VanDerWaalsContact O-N 3.16Å
159	I	75	Confident	61.2	Low	13 Å²	13	65 Å²	65	7%	0.067	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-104.6	112.4	-179.1	-60	167.3	0	0	0	107.8	F113 M114 F119 E163 L167	F113-I159 WeakPolarHBondContact CA-O 3.27Å; M114-I159 HydrophobicContact CB-CB 4.04Å; M114-I159 PolarHBondContact N-O 3.38Å; M114-I159 PolarHBondContact O-N 3.47Å; F119-I159 HydrophobicContact CB-CD1 3.72Å; F119-I159 HydrophobicContact CG-CD1 4.11Å; I159-E163 HydrophobicContact CG2-CB 3.89Å; I159-L167 HydrophobicContact CD1-CD1 3.96Å; I159-L167 HydrophobicContact CG1-CD1 4.38Å; I159-L167 HydrophobicContact CG2-CD1 4.03Å
160	S	81.6	Confident	62.7	Low	19 Å²	19	62.4 Å²	62.4	13%	0.133	33%	0.328	C	S	.	.			trans	-73.4	166.3	171.7	65.4	0	0	0	0	111.6	E163 Y164	S160-E163 WeakPolarHBondContact CB-OE2 3.48Å; S160-E163 PolarHBondContact N-OE2 3.46Å; S160-E163 PolarHBondContact O-N 2.88Å; S160-E163 VanDerWaalsContact OG-CG 3.32Å; S160-E163 WeakPolarHBondContact OG-CG 3.46Å; S160-E163 PolarHBondContact OG-N 3.19Å; S160-E163 PolarHBondContact OG-OE2 3.42Å; S160-Y164 WeakPolarHBondContact O-CB 3.24Å; S160-Y164 PolarHBondContact O-N 3.3Å
161	F	83.6	Confident	64.1	Low	45 Å²	45	59.7 Å²	59.7	20%	0.197	31%	0.313	C	S	.	.	H	α-helix	trans	-58.9	-41.4	177.7	178.5	-109.7	0	0	0	113.5	N88 F91 Y164 I165 A372	N88-F161 VanDerWaalsContact CA-CE2 3.45Å; N88-F161 HydrophobicContact CB-CE2 3.92Å; N88-F161 HydrophobicContact CB-CZ 3.89Å; F91-F161 HydrophobicContact CB-CD2 3.78Å; F91-F161 HydrophobicContact CB-CE2 4.18Å; F91-F161 HydrophobicContact CD1-CB 4.06Å; F91-F161 AromaticContact CD1-CD2 3.9Å; F91-F161 HydrophobicContact CD1-CD2 3.9Å; F91-F161 HydrophobicContact CD1-CG 4.41Å; F91-F161 HydrophobicContact CD2-CD2 4.19Å; F91-F161 HydrophobicContact CE1-CB 3.89Å; F91-F161 HydrophobicContact CE2-CB 4.38Å; F91-F161 HydrophobicContact CG-CB 4.39Å; F91-F161 AromaticContact CG-CD2 3.69Å; F91-F161 HydrophobicContact CG-CD2 3.69Å; F91-F161 HydrophobicContact CZ-CB 4.06Å; F161-Y164 HydrophobicContact CD2-CD1 4.2Å; F161-Y164 HydrophobicContact CE2-CD1 4.24Å; F161-Y164 WeakPolarHBondContact O-CB 3.39Å; F161-Y164 PolarHBondContact O-N 2.96Å; F161-I165 HydrophobicContact CD2-CG1 4.36Å; F161-I165 HydrophobicContact CE1-CG1 4.1Å; F161-I165 HydrophobicContact CE2-CD1 3.8Å; F161-I165 HydrophobicContact CE2-CG1 3.85Å; F161-I165 HydrophobicContact CZ-CD1 3.78Å; F161-I165 HydrophobicContact CZ-CG1 3.72Å; F161-I165 WeakPolarHBondContact O-CG1 3.47Å; F161-I165 PolarHBondContact O-N 2.93Å; F161-I165 VanDerWaalsContact O-N 3.08Å; F161-A372 HydrophobicContact CE1-CB 4.31Å
162	P	75.8	Confident	65.1	Low	21 Å²	21	54.2 Å²	54.2	14%	0.136	29%	0.287	C	S	.	.	H	α-helix	trans	-62.3	-40.5	173.2	-26.1	37.8	0	0	0	114.6	Y164 I165 F166 A372 C376	P162-Y164 VanDerWaalsContact C-N 3.35Å; P162-I165 PolarHBondContact O-N 3.26Å; P162-F166 WeakPolarHBondContact O-CB 3.34Å; P162-F166 PolarHBondContact O-N 3.21Å; P162-A372 HydrophobicContact CB-CB 4.21Å; P162-A372 WeakPolarHBondContact CB-O 3.26Å; P162-A372 HydrophobicContact CG-CB 4.49Å; P162-A372 VanDerWaalsContact CG-O 3.28Å; P162-A372 WeakPolarHBondContact CG-O 3.28Å; P162-C376 HydrophobicContact CB-CB 3.52Å; P162-C376 HydrophobicContact CG-CB 3.58Å
163	E	75.2	Confident	66.2	Low	91 Å²	91	50.7 Å²	50.7	43%	0.425	27%	0.273	S	S	.	.	H	α-helix	trans	-66.1	-39.6	175.7	-69.9	163.9	148	0	0	111.1	I159 S160 I165 F166 L167	I159-E163 HydrophobicContact CG2-CB 3.89Å; S160-E163 WeakPolarHBondContact CB-OE2 3.48Å; S160-E163 PolarHBondContact N-OE2 3.46Å; S160-E163 PolarHBondContact O-N 2.88Å; S160-E163 VanDerWaalsContact OG-CG 3.32Å; S160-E163 WeakPolarHBondContact OG-CG 3.46Å; S160-E163 PolarHBondContact OG-N 3.19Å; S160-E163 PolarHBondContact OG-OE2 3.42Å; E163-I165 PolarHBondContact O-N 3.09Å; E163-F166 WeakPolarHBondContact O-CB 3.45Å; E163-F166 PolarHBondContact O-N 3.36Å; E163-L167 WeakPolarHBondContact O-CB 3.31Å; E163-L167 VanDerWaalsContact O-CG 3.25Å; E163-L167 WeakPolarHBondContact O-CG 3.28Å; E163-L167 PolarHBondContact O-N 2.89Å
164	Y	78.8	Confident	67.1	Low	6 Å²	6	49.6 Å²	49.6	2%	0.024	27%	0.273	C	S	.	.	H	α-helix	trans	-55.8	-49.9	173	172.3	-107.1	0	0	0	111.9	A87 V90 F91 M114 F119 S122 S160 F161 P162 F166 L167 L168	A87-Y164 HydrophobicContact CB-CE1 4.18Å; A87-Y164 WeakPolarHBondContact O-CE1 3.28Å; V90-Y164 WeakPolarHBondContact CG1-OH 3.4Å; F91-Y164 HydrophobicContact CB-CD1 3.96Å; F91-Y164 HydrophobicContact CB-CE1 4.01Å; F91-Y164 HydrophobicContact CB-CG 4.49Å; F91-Y164 AromaticContact CD2-CD1 3.92Å; F91-Y164 HydrophobicContact CD2-CD1 3.92Å; F91-Y164 HydrophobicContact CD2-CD2 4.14Å; F91-Y164 AromaticContact CD2-CG 3.64Å; F91-Y164 HydrophobicContact CD2-CG 3.64Å; F91-Y164 HydrophobicContact CE2-CG 4.39Å; F91-Y164 HydrophobicContact CG-CD1 4.34Å; F91-Y164 HydrophobicContact CG-CG 4.49Å; M114-Y164 HydrophobicContact CE-CE2 4.32Å; M114-Y164 HydrophobicContact SD-CD2 3.67Å; M114-Y164 HydrophobicContact SD-CE2 4Å; M114-Y164 HydrophobicContact SD-CG 4.36Å; F119-Y164 AromaticContact CD2-CD2 3.48Å; F119-Y164 HydrophobicContact CD2-CD2 3.48Å; F119-Y164 VanDerWaalsContact CD2-CD2 3.48Å; F119-Y164 AromaticContact CD2-CE2 3.67Å; F119-Y164 HydrophobicContact CD2-CE2 3.67Å; F119-Y164 AromaticContact CE2-CD2 3.65Å; F119-Y164 HydrophobicContact CE2-CD2 3.65Å; F119-Y164 AromaticContact CE2-CE2 3.77Å; F119-Y164 HydrophobicContact CE2-CE2 3.77Å; S122-Y164 WeakPolarHBondContact OG-CE2 2.93Å; S160-Y164 WeakPolarHBondContact O-CB 3.24Å; S160-Y164 PolarHBondContact O-N 3.3Å; F161-Y164 HydrophobicContact CD2-CD1 4.2Å; F161-Y164 HydrophobicContact CE2-CD1 4.24Å; F161-Y164 WeakPolarHBondContact O-CB 3.39Å; F161-Y164 PolarHBondContact O-N 2.96Å; P162-Y164 VanDerWaalsContact C-N 3.35Å; Y164-F166 VanDerWaalsContact C-N 3.34Å; Y164-F166 PolarHBondContact O-N 3.38Å; Y164-L167 PolarHBondContact O-N 2.88Å; Y164-L168 HydrophobicContact CD1-CD1 4.1Å; Y164-L168 HydrophobicContact CE1-CD1 3.45Å; Y164-L168 VanDerWaalsContact CE1-CD1 3.45Å; Y164-L168 HydrophobicContact CE1-CG 4.13Å; Y164-L168 HydrophobicContact CE2-CD1 4.22Å; Y164-L168 HydrophobicContact CE2-CD2 4.19Å; Y164-L168 HydrophobicContact CE2-CG 4.11Å; Y164-L168 WeakPolarHBondContact O-CG 3.41Å; Y164-L168 PolarHBondContact O-N 3.28Å
165	I	75.1	Confident	67.9	Low	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-64.5	-40.1	178.7	-64.4	-63.1	0	0	0	111.6	A87 F161 P162 E163 L168 T169 P364 M369 A372	A87-I165 HydrophobicContact CB-CD1 3.44Å; A87-I165 VanDerWaalsContact CB-CD1 3.44Å; F161-I165 HydrophobicContact CD2-CG1 4.36Å; F161-I165 HydrophobicContact CE1-CG1 4.1Å; F161-I165 HydrophobicContact CE2-CD1 3.8Å; F161-I165 HydrophobicContact CE2-CG1 3.85Å; F161-I165 HydrophobicContact CZ-CD1 3.78Å; F161-I165 HydrophobicContact CZ-CG1 3.72Å; F161-I165 WeakPolarHBondContact O-CG1 3.47Å; F161-I165 PolarHBondContact O-N 2.93Å; F161-I165 VanDerWaalsContact O-N 3.08Å; P162-I165 PolarHBondContact O-N 3.26Å; E163-I165 PolarHBondContact O-N 3.09Å; I165-L168 HydrophobicContact CD1-CD1 4.45Å; I165-L168 PolarHBondContact O-N 3.48Å; I165-T169 WeakPolarHBondContact O-CB 3.45Å; I165-T169 PolarHBondContact O-N 3.31Å; I165-T169 PolarHBondContact O-OG1 3.41Å; I165-P364 HydrophobicContact CD1-CG 4.41Å; I165-P364 HydrophobicContact CG2-CB 4.41Å; I165-P364 HydrophobicContact CG2-CG 4.09Å; I165-M369 HydrophobicContact CG2-CB 4.07Å; I165-M369 HydrophobicContact CG2-CG 4.48Å; I165-A372 HydrophobicContact CB-CB 4.04Å; I165-A372 HydrophobicContact CG1-CB 4Å; I165-A372 HydrophobicContact CG2-CB 4.21Å
166	F	68.2	Low	68.6	Low	79 Å²	79	49.6 Å²	49.6	35%	0.346	27%	0.273	S	S	.	.	H	α-helix	trans	-59.9	-50.6	174.5	175.5	-101.7	0	0	0	110.9	P162 E163 Y164 L168 T169 V170 F198	P162-F166 WeakPolarHBondContact O-CB 3.34Å; P162-F166 PolarHBondContact O-N 3.21Å; E163-F166 WeakPolarHBondContact O-CB 3.45Å; E163-F166 PolarHBondContact O-N 3.36Å; Y164-F166 VanDerWaalsContact C-N 3.34Å; Y164-F166 PolarHBondContact O-N 3.38Å; F166-L168 PolarHBondContact O-N 2.91Å; F166-T169 WeakPolarHBondContact O-CA 3.3Å; F166-T169 WeakPolarHBondContact O-CB 3.08Å; F166-T169 PolarHBondContact O-N 2.89Å; F166-V170 HydrophobicContact CD1-CG2 4.13Å; F166-V170 HydrophobicContact CD2-CG2 4.35Å; F166-V170 HydrophobicContact CE1-CG2 3.75Å; F166-V170 HydrophobicContact CE2-CG2 3.99Å; F166-V170 HydrophobicContact CG-CG2 4.42Å; F166-V170 HydrophobicContact CZ-CG2 3.68Å; F166-V170 VanDerWaalsContact O-CG2 3.29Å; F166-V170 WeakPolarHBondContact O-CG2 3.46Å; F166-V170 PolarHBondContact O-N 2.86Å; F166-F198 HydrophobicContact CE2-CE2 4.25Å; F166-F198 HydrophobicContact CE2-CZ 4.13Å
167	L	70.4	Confident	68.8	Low	40 Å²	40	49.9 Å²	49.9	21%	0.209	27%	0.267	C	S	.	.	H	α-helix	trans	-59.5	-44.1	178	-69.3	170.7	0	0	0	112	F119 I159 E163 Y164 T169 V170 L171	F119-L167 HydrophobicContact CD1-CD1 4.39Å; F119-L167 HydrophobicContact CD2-CD1 4.48Å; F119-L167 HydrophobicContact CE1-CB 4.19Å; F119-L167 HydrophobicContact CE1-CD1 4.15Å; F119-L167 HydrophobicContact CE2-CB 3.85Å; F119-L167 HydrophobicContact CE2-CD1 4.23Å; F119-L167 HydrophobicContact CZ-CB 3.46Å; F119-L167 VanDerWaalsContact CZ-CB 3.46Å; F119-L167 HydrophobicContact CZ-CD1 4.05Å; F119-L167 HydrophobicContact CZ-CG 4.35Å; I159-L167 HydrophobicContact CD1-CD1 3.96Å; I159-L167 HydrophobicContact CG1-CD1 4.38Å; I159-L167 HydrophobicContact CG2-CD1 4.03Å; E163-L167 WeakPolarHBondContact O-CB 3.31Å; E163-L167 VanDerWaalsContact O-CG 3.25Å; E163-L167 WeakPolarHBondContact O-CG 3.28Å; E163-L167 PolarHBondContact O-N 2.89Å; Y164-L167 PolarHBondContact O-N 2.88Å; L167-T169 VanDerWaalsContact C-N 3.26Å; L167-T169 PolarHBondContact O-N 2.95Å; L167-V170 PolarHBondContact O-N 3.41Å; L167-L171 WeakPolarHBondContact O-CB 3.22Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.37Å; L167-L171 PolarHBondContact O-N 2.96Å
168	L	70.4	Confident	68.4	Low	8 Å²	8	48.4 Å²	48.4	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-56.8	-42.7	173	-73.7	-173	0	0	0	111.9	A87 F119 L123 Y164 I165 F166 L171 S172	A87-L168 HydrophobicContact CB-CD1 4.44Å; F119-L168 HydrophobicContact CE2-CD2 4.24Å; L123-L168 HydrophobicContact CD1-CD2 4.26Å; L123-L168 HydrophobicContact CD2-CD2 3.43Å; L123-L168 VanDerWaalsContact CD2-CD2 3.43Å; L123-L168 HydrophobicContact CG-CD2 4.23Å; Y164-L168 HydrophobicContact CD1-CD1 4.1Å; Y164-L168 HydrophobicContact CE1-CD1 3.45Å; Y164-L168 VanDerWaalsContact CE1-CD1 3.45Å; Y164-L168 HydrophobicContact CE1-CG 4.13Å; Y164-L168 HydrophobicContact CE2-CD1 4.22Å; Y164-L168 HydrophobicContact CE2-CD2 4.19Å; Y164-L168 HydrophobicContact CE2-CG 4.11Å; Y164-L168 WeakPolarHBondContact O-CG 3.41Å; Y164-L168 PolarHBondContact O-N 3.28Å; I165-L168 HydrophobicContact CD1-CD1 4.45Å; I165-L168 PolarHBondContact O-N 3.48Å; F166-L168 PolarHBondContact O-N 2.91Å; L168-L171 PolarHBondContact O-N 3.28Å; L168-S172 VanDerWaalsContact O-CB 3.28Å; L168-S172 WeakPolarHBondContact O-CB 3.31Å; L168-S172 PolarHBondContact O-N 2.72Å; L168-S172 PolarHBondContact O-OG 3.37Å
169	T	65.9	Low	67.4	Low	39 Å²	39	47.1 Å²	47.1	24%	0.239	25%	0.253	C	S	.	.	H	α-helix	trans	-66.9	-43.1	-179.6	-53.7	0	0	0	0	110.7	I165 F166 L167 L171 S172 A173 M369	I165-T169 WeakPolarHBondContact O-CB 3.45Å; I165-T169 PolarHBondContact O-N 3.31Å; I165-T169 PolarHBondContact O-OG1 3.41Å; F166-T169 WeakPolarHBondContact O-CA 3.3Å; F166-T169 WeakPolarHBondContact O-CB 3.08Å; F166-T169 PolarHBondContact O-N 2.89Å; L167-T169 VanDerWaalsContact C-N 3.26Å; L167-T169 PolarHBondContact O-N 2.95Å; T169-L171 VanDerWaalsContact C-N 3.34Å; T169-L171 PolarHBondContact O-N 3.48Å; T169-S172 PolarHBondContact O-N 3.42Å; T169-A173 VanDerWaalsContact O-CB 3.27Å; T169-A173 WeakPolarHBondContact O-CB 3.07Å; T169-A173 PolarHBondContact O-N 2.98Å; T169-M369 HydrophobicContact CG2-SD 3.92Å
170	V	62.6	Low	66.7	Low	27 Å²	27	51.5 Å²	51.5	16%	0.164	28%	0.276	C	S	.	.	H	α-helix	trans	-62.7	-41	176.4	177.5	0	0	0	0	111.7	F166 L167 F178	F166-V170 HydrophobicContact CD1-CG2 4.13Å; F166-V170 HydrophobicContact CD2-CG2 4.35Å; F166-V170 HydrophobicContact CE1-CG2 3.75Å; F166-V170 HydrophobicContact CE2-CG2 3.99Å; F166-V170 HydrophobicContact CG-CG2 4.42Å; F166-V170 HydrophobicContact CZ-CG2 3.68Å; F166-V170 VanDerWaalsContact O-CG2 3.29Å; F166-V170 WeakPolarHBondContact O-CG2 3.46Å; F166-V170 PolarHBondContact O-N 2.86Å; L167-V170 PolarHBondContact O-N 3.41Å; V170-F178 HydrophobicContact CB-CE2 4.1Å; V170-F178 HydrophobicContact CG1-CD2 4.4Å; V170-F178 HydrophobicContact CG1-CE2 3.77Å; V170-F178 HydrophobicContact CG1-CZ 3.9Å; V170-F178 HydrophobicContact CG2-CE2 3.64Å; V170-F178 HydrophobicContact CG2-CZ 4.18Å
171	L	63.6	Low	65.7	Low	27 Å²	27	52.2 Å²	52.2	14%	0.141	28%	0.283	C	S	.	.	H	α-helix	trans	-70.9	-32.4	177.8	-69.8	176.6	0	0	0	112.8	F119 L123 L167 L168 T169 F232	F119-L171 HydrophobicContact CE1-CD1 3.93Å; F119-L171 HydrophobicContact CZ-CD1 3.62Å; L123-L171 HydrophobicContact CD1-CD1 3.54Å; L167-L171 WeakPolarHBondContact O-CB 3.22Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.37Å; L167-L171 PolarHBondContact O-N 2.96Å; L168-L171 PolarHBondContact O-N 3.28Å; T169-L171 VanDerWaalsContact C-N 3.34Å; T169-L171 PolarHBondContact O-N 3.48Å; L171-F232 HydrophobicContact CD1-CE2 4.17Å; L171-F232 HydrophobicContact CD1-CZ 4.36Å
172	S	61.8	Low	64.6	Low	44 Å²	44	52.8 Å²	52.8	31%	0.308	29%	0.286	S	S	.	.	H	α-helix	trans	-83.2	-21.9	179.3	-53.9	0	0	0	0	112.9	L168 T169 S174 L358	L168-S172 VanDerWaalsContact O-CB 3.28Å; L168-S172 WeakPolarHBondContact O-CB 3.31Å; L168-S172 PolarHBondContact O-N 2.72Å; L168-S172 PolarHBondContact O-OG 3.37Å; T169-S172 PolarHBondContact O-N 3.42Å; S172-S174 PolarHBondContact O-N 3.14Å; S172-L358 WeakPolarHBondContact OG-CD1 3.48Å
173	A	61.5	Low	64.1	Low	26 Å²	26	57 Å²	57	22%	0.215	30%	0.302	C	S	.	.	S	Bend	trans	-75	125.5	-179.1	0	0	0	0	0	110.6	T169 F178	T169-A173 VanDerWaalsContact O-CB 3.27Å; T169-A173 WeakPolarHBondContact O-CB 3.07Å; T169-A173 PolarHBondContact O-N 2.98Å; A173-F178 HydrophobicContact CB-CB 4.17Å; A173-F178 HydrophobicContact CB-CD2 4.27Å
174	S	56.6	Low	63.8	Low	40 Å²	40	56.3 Å²	56.3	28%	0.28	30%	0.304	S	S	.	.			trans	-55.1	147.9	170.7	71	0	0	0	0	109.8	S172 E176 K177 F178	S172-S174 PolarHBondContact O-N 3.14Å; S174-E176 PolarHBondContact O-N 2.75Å; S174-E176 VanDerWaalsContact O-N 3.13Å; S174-K177 PolarHBondContact O-N 3.24Å; S174-K177 VanDerWaalsContact O-N 3.1Å; S174-K177 WeakPolarHBondContact OG-CB 3.47Å; S174-K177 WeakPolarHBondContact OG-CD 3.49Å; S174-K177 VanDerWaalsContact OG-CG 3.22Å; S174-K177 WeakPolarHBondContact OG-CG 3.17Å; S174-K177 PolarHBondContact OG-N 2.78Å; S174-F178 PolarHBondContact O-N 3.03Å
175	P	55.3	Low	63	Low	91 Å²	91	57.2 Å²	57.2	59%	0.591	31%	0.308	S	S	*	.	H	α-helix	trans	-50.1	-40.1	177.6	-27.7	35.1	0	0	0	112.1	F178 A179	P175-F178 PolarHBondContact O-N 2.75Å; P175-A179 VanDerWaalsContact O-CB 3.27Å; P175-A179 WeakPolarHBondContact O-CB 3.07Å; P175-A179 PolarHBondContact O-N 3.1Å
176	E	58.9	Low	62.8	Low	156 Å²	156	58 Å²	58	73%	0.729	31%	0.312	S	S	*	.	H	α-helix	trans	-64.1	-49.5	177.9	-58.5	178.8	167.2	0	0	112.7	S174 F178 A179 L180	S174-E176 PolarHBondContact O-N 2.75Å; S174-E176 VanDerWaalsContact O-N 3.13Å; E176-F178 VanDerWaalsContact C-N 3.28Å; E176-F178 PolarHBondContact O-N 2.7Å; E176-A179 PolarHBondContact O-N 3.03Å; E176-L180 VanDerWaalsContact O-CB 3.3Å; E176-L180 WeakPolarHBondContact O-CB 3.3Å; E176-L180 PolarHBondContact O-N 3.38Å
177	K	57.6	Low	62.8	Low	151 Å²	151	58.3 Å²	58.3	66%	0.657	32%	0.317	S	S	*	.	H	α-helix	trans	-63.8	-35.9	179	-74.3	174.1	-176.7	178.7	0	112	S174 A181	S174-K177 PolarHBondContact O-N 3.24Å; S174-K177 VanDerWaalsContact O-N 3.1Å; S174-K177 WeakPolarHBondContact OG-CB 3.47Å; S174-K177 WeakPolarHBondContact OG-CD 3.49Å; S174-K177 VanDerWaalsContact OG-CG 3.22Å; S174-K177 WeakPolarHBondContact OG-CG 3.17Å; S174-K177 PolarHBondContact OG-N 2.78Å; K177-A181 PolarHBondContact O-N 3.36Å
178	F	57.8	Low	63	Low	32 Å²	32	60.8 Å²	60.8	14%	0.14	33%	0.331	C	S	.	.	H	α-helix	trans	-75.2	-41.8	178.6	-168.3	-97	0	0	0	112.4	V170 A173 S174 P175 E176 L180 A181 F182 V221	V170-F178 HydrophobicContact CB-CE2 4.1Å; V170-F178 HydrophobicContact CG1-CD2 4.4Å; V170-F178 HydrophobicContact CG1-CE2 3.77Å; V170-F178 HydrophobicContact CG1-CZ 3.9Å; V170-F178 HydrophobicContact CG2-CE2 3.64Å; V170-F178 HydrophobicContact CG2-CZ 4.18Å; A173-F178 HydrophobicContact CB-CB 4.17Å; A173-F178 HydrophobicContact CB-CD2 4.27Å; S174-F178 PolarHBondContact O-N 3.03Å; P175-F178 PolarHBondContact O-N 2.75Å; E176-F178 VanDerWaalsContact C-N 3.28Å; E176-F178 PolarHBondContact O-N 2.7Å; F178-L180 VanDerWaalsContact C-N 3.27Å; F178-L180 PolarHBondContact O-N 2.7Å; F178-A181 WeakPolarHBondContact O-CB 3.44Å; F178-A181 PolarHBondContact O-N 2.81Å; F178-F182 AromaticContact CD1-CD2 3.79Å; F178-F182 HydrophobicContact CD1-CD2 3.79Å; F178-F182 AromaticContact CD1-CE2 3.82Å; F178-F182 HydrophobicContact CD1-CE2 3.82Å; F178-F182 AromaticContact CE1-CD2 3.54Å; F178-F182 HydrophobicContact CE1-CD2 3.54Å; F178-F182 AromaticContact CE1-CE2 3.08Å; F178-F182 HydrophobicContact CE1-CE2 3.08Å; F178-F182 AromaticContact CE1-CZ 3.8Å; F178-F182 HydrophobicContact CE1-CZ 3.8Å; F178-F182 HydrophobicContact CE2-CD2 4.49Å; F178-F182 AromaticContact CE2-CE2 3.89Å; F178-F182 HydrophobicContact CE2-CE2 3.89Å; F178-F182 HydrophobicContact CG-CD2 4.43Å; F178-F182 AromaticContact CZ-CD2 3.96Å; F178-F182 HydrophobicContact CZ-CD2 3.96Å; F178-F182 AromaticContact CZ-CE2 3.15Å; F178-F182 HydrophobicContact CZ-CE2 3.15Å; F178-F182 AromaticContact CZ-CZ 3.89Å; F178-F182 HydrophobicContact CZ-CZ 3.89Å; F178-F182 WeakPolarHBondContact O-CD2 3.36Å; F178-F182 PolarHBondContact O-N 3.23Å; F178-V221 HydrophobicContact CE1-CG1 4.5Å
179	A	59	Low	62.9	Low	33 Å²	33	66.5 Å²	66.5	27%	0.273	36%	0.362	S	S	.	.	H	α-helix	trans	-62.3	-38.2	173.2	0	0	0	0	0	111.2	P175 E176 F182 K183	P175-A179 VanDerWaalsContact O-CB 3.27Å; P175-A179 WeakPolarHBondContact O-CB 3.07Å; P175-A179 PolarHBondContact O-N 3.1Å; E176-A179 PolarHBondContact O-N 3.03Å; A179-F182 PolarHBondContact O-N 3.26Å; A179-K183 WeakPolarHBondContact O-CG 3.29Å; A179-K183 PolarHBondContact O-N 3.33Å
180	L	61.4	Low	63.4	Low	105 Å²	105	69 Å²	69	55%	0.55	37%	0.374	S	S	.	.	H	α-helix	trans	-60.4	-48.6	171.7	178.3	64.1	0	0	0	111.2	E176 F178 F182 K183 V184	E176-L180 VanDerWaalsContact O-CB 3.3Å; E176-L180 WeakPolarHBondContact O-CB 3.3Å; E176-L180 PolarHBondContact O-N 3.38Å; F178-L180 VanDerWaalsContact C-N 3.27Å; F178-L180 PolarHBondContact O-N 2.7Å; L180-F182 VanDerWaalsContact C-N 3.33Å; L180-F182 PolarHBondContact O-N 3.06Å; L180-K183 PolarHBondContact O-N 2.73Å; L180-V184 HydrophobicContact CD1-CG2 4.22Å; L180-V184 HydrophobicContact CG-CG2 4.46Å; L180-V184 VanDerWaalsContact O-CG2 3.27Å; L180-V184 WeakPolarHBondContact O-CG2 2.87Å; L180-V184 PolarHBondContact O-N 2.86Å
181	A	61	Low	63.5	Low	34 Å²	34	70 Å²	70	28%	0.281	39%	0.388	S	S	.	.	H	α-helix	trans	-54.8	-50.4	175.6	0	0	0	0	0	110.6	K177 F178 K183 V184 F185	K177-A181 PolarHBondContact O-N 3.36Å; F178-A181 WeakPolarHBondContact O-CB 3.44Å; F178-A181 PolarHBondContact O-N 2.81Å; A181-K183 PolarHBondContact O-N 2.73Å; A181-V184 PolarHBondContact O-N 3.04Å; A181-V184 VanDerWaalsContact O-N 3.15Å; A181-F185 HydrophobicContact CB-CD2 4.25Å; A181-F185 HydrophobicContact CB-CE2 4.04Å; A181-F185 WeakPolarHBondContact O-CB 3.44Å; A181-F185 WeakPolarHBondContact O-CD2 3.48Å; A181-F185 VanDerWaalsContact O-CG 3.24Å; A181-F185 WeakPolarHBondContact O-CG 3.05Å; A181-F185 PolarHBondContact O-N 3.45Å
182	F	60.6	Low	63	Low	58 Å²	58	74.8 Å²	74.8	25%	0.254	41%	0.412	S	S	.	.	H	α-helix	trans	-55.6	-49.1	177.2	-91.4	-109.6	0	0	0	112.6	F178 A179 L180 V184 F185 D186 L193	F178-F182 AromaticContact CD1-CD2 3.79Å; F178-F182 HydrophobicContact CD1-CD2 3.79Å; F178-F182 AromaticContact CD1-CE2 3.82Å; F178-F182 HydrophobicContact CD1-CE2 3.82Å; F178-F182 AromaticContact CE1-CD2 3.54Å; F178-F182 HydrophobicContact CE1-CD2 3.54Å; F178-F182 AromaticContact CE1-CE2 3.08Å; F178-F182 HydrophobicContact CE1-CE2 3.08Å; F178-F182 AromaticContact CE1-CZ 3.8Å; F178-F182 HydrophobicContact CE1-CZ 3.8Å; F178-F182 HydrophobicContact CE2-CD2 4.49Å; F178-F182 AromaticContact CE2-CE2 3.89Å; F178-F182 HydrophobicContact CE2-CE2 3.89Å; F178-F182 HydrophobicContact CG-CD2 4.43Å; F178-F182 AromaticContact CZ-CD2 3.96Å; F178-F182 HydrophobicContact CZ-CD2 3.96Å; F178-F182 AromaticContact CZ-CE2 3.15Å; F178-F182 HydrophobicContact CZ-CE2 3.15Å; F178-F182 AromaticContact CZ-CZ 3.89Å; F178-F182 HydrophobicContact CZ-CZ 3.89Å; F178-F182 WeakPolarHBondContact O-CD2 3.36Å; F178-F182 PolarHBondContact O-N 3.23Å; A179-F182 PolarHBondContact O-N 3.26Å; L180-F182 VanDerWaalsContact C-N 3.33Å; L180-F182 PolarHBondContact O-N 3.06Å; F182-V184 VanDerWaalsContact C-N 3.27Å; F182-V184 PolarHBondContact O-N 3.4Å; F182-F185 PolarHBondContact O-N 2.97Å; F182-D186 VanDerWaalsContact O-CB 3.25Å; F182-D186 WeakPolarHBondContact O-CB 3.12Å; F182-D186 PolarHBondContact O-N 3.47Å; F182-L193 HydrophobicContact CD1-CD1 3.62Å; F182-L193 HydrophobicContact CD1-CG 3.89Å; F182-L193 HydrophobicContact CD2-CD1 4.11Å; F182-L193 HydrophobicContact CE1-CB 4.42Å; F182-L193 HydrophobicContact CE1-CD1 3.52Å; F182-L193 HydrophobicContact CE1-CG 3.94Å; F182-L193 HydrophobicContact CE2-CD1 3.95Å; F182-L193 HydrophobicContact CG-CD1 3.94Å; F182-L193 HydrophobicContact CZ-CD1 3.7Å
183	K	65.3	Low	62.9	Low	108 Å²	108	74.5 Å²	74.5	47%	0.47	41%	0.407	S	S	.	.	H	α-helix	trans	-62.9	-29.1	178.8	-74.1	-176.4	178.9	-174.7	0	114.5	A179 L180 A181 F185 A217	A179-K183 WeakPolarHBondContact O-CG 3.29Å; A179-K183 PolarHBondContact O-N 3.33Å; L180-K183 PolarHBondContact O-N 2.73Å; A181-K183 PolarHBondContact O-N 2.73Å; K183-F185 PolarHBondContact O-N 3.12Å; K183-A217 PolarHBondContact NZ-O 3.06Å
184	V	67	Low	62.8	Low	78 Å²	78	76.4 Å²	76.4	47%	0.473	41%	0.413	S	S	.	.	H	α-helix	trans	-73	-19.4	177.4	168.7	0	0	0	0	111.5	L180 A181 F182	L180-V184 HydrophobicContact CD1-CG2 4.22Å; L180-V184 HydrophobicContact CG-CG2 4.46Å; L180-V184 VanDerWaalsContact O-CG2 3.27Å; L180-V184 WeakPolarHBondContact O-CG2 2.87Å; L180-V184 PolarHBondContact O-N 2.86Å; A181-V184 PolarHBondContact O-N 3.04Å; A181-V184 VanDerWaalsContact O-N 3.15Å; F182-V184 VanDerWaalsContact C-N 3.27Å; F182-V184 PolarHBondContact O-N 3.4Å
185	F	63	Low	63	Low	24 Å²	24	81.5 Å²	81.5	11%	0.105	43%	0.427	C	S	.	.	H	α-helix	trans	-117.5	-29.4	-162.9	-74	-37.1	0	0	0	114.4	A181 F182 K183 L187 L193 E197 V201 L204 A205	A181-F185 HydrophobicContact CB-CD2 4.25Å; A181-F185 HydrophobicContact CB-CE2 4.04Å; A181-F185 WeakPolarHBondContact O-CB 3.44Å; A181-F185 WeakPolarHBondContact O-CD2 3.48Å; A181-F185 VanDerWaalsContact O-CG 3.24Å; A181-F185 WeakPolarHBondContact O-CG 3.05Å; A181-F185 PolarHBondContact O-N 3.45Å; F182-F185 PolarHBondContact O-N 2.97Å; K183-F185 PolarHBondContact O-N 3.12Å; F185-L187 PolarHBondContact O-N 3.46Å; F185-L187 VanDerWaalsContact O-N 3.11Å; F185-L193 VanDerWaalsContact C-CD2 3.41Å; F185-L193 HydrophobicContact CB-CD1 4.5Å; F185-L193 HydrophobicContact CB-CD2 3.53Å; F185-E197 WeakPolarHBondContact O-CB 3.43Å; F185-V201 HydrophobicContact CB-CB 4.34Å; F185-V201 HydrophobicContact CB-CG2 3.11Å; F185-V201 VanDerWaalsContact CD1-CA 3.42Å; F185-V201 HydrophobicContact CD1-CB 3.7Å; F185-V201 HydrophobicContact CD1-CG1 4.07Å; F185-V201 HydrophobicContact CD1-CG2 3.31Å; F185-V201 HydrophobicContact CD2-CB 3.78Å; F185-V201 HydrophobicContact CD2-CG1 3.38Å; F185-V201 HydrophobicContact CD2-CG2 3.31Å; F185-V201 HydrophobicContact CE1-CB 3.9Å; F185-V201 HydrophobicContact CE1-CG1 3.92Å; F185-V201 HydrophobicContact CE1-CG2 4.02Å; F185-V201 HydrophobicContact CE2-CB 4.01Å; F185-V201 HydrophobicContact CE2-CG1 3.25Å; F185-V201 HydrophobicContact CE2-CG2 4.06Å; F185-V201 HydrophobicContact CG-CB 3.69Å; F185-V201 HydrophobicContact CG-CG1 3.86Å; F185-V201 HydrophobicContact CG-CG2 2.92Å; F185-V201 HydrophobicContact CZ-CB 4.06Å; F185-V201 HydrophobicContact CZ-CG1 3.53Å; F185-V201 HydrophobicContact CZ-CG2 4.36Å; F185-L204 HydrophobicContact CE1-CB 3.92Å; F185-A205 HydrophobicContact CZ-CB 4.29Å
186	D	70.2	Confident	63.3	Low	17 Å²	17	85.2 Å²	85.2	9%	0.091	43%	0.431	C	S	.	.			trans	-66.6	95	164.4	176.9	1.1	0	0	0	107.3	F182 N189 D190 G191 L193	F182-D186 VanDerWaalsContact O-CB 3.25Å; F182-D186 WeakPolarHBondContact O-CB 3.12Å; F182-D186 PolarHBondContact O-N 3.47Å; D186-N189 WeakPolarHBondContact OD1-CA 3.45Å; D186-N189 PolarHBondContact OD1-N 2.99Å; D186-N189 WeakPolarHBondContact OD2-CA 3.46Å; D186-D190 PolarHBondContact OD1-N 3.37Å; D186-D190 VanDerWaalsContact OD1-N 3.1Å; D186-G191 WeakPolarHBondContact OD2-CA 3.48Å; D186-G191 PolarHBondContact OD2-N 3.44Å; D186-L193 HydrophobicContact CB-CD2 4.32Å
187	L	69.8	Low	63.5	Low	86 Å²	86	78.2 Å²	78.2	45%	0.45	40%	0.398	S	S	.	.	S	Bend	trans	-81.7	-28.4	-174	-68.3	-178.6	0	0	0	111.2	F185 E197 K200	F185-L187 PolarHBondContact O-N 3.46Å; F185-L187 VanDerWaalsContact O-N 3.11Å; L187-E197 HydrophobicContact CB-CG 4.46Å; L187-E197 PolarHBondContact N-OE1 3.14Å; L187-K200 HydrophobicContact CD1-CD 3.35Å
188	D	74.5	Confident	63.6	Low	92 Å²	92	74 Å²	74	49%	0.492	38%	0.38	S	S	.	.	S	Bend	trans	-93	-6	179.3	66.7	14	0	0	0	113.5	D190 E197	D188-D190 PolarHBondContact O-N 3.3Å; D188-D190 VanDerWaalsContact OD1-CB 3.3Å; D188-D190 WeakPolarHBondContact OD1-CB 3.48Å; D188-D190 VanDerWaalsContact OD1-CG 3.23Å; D188-D190 PolarHBondContact OD1-N 2.84Å; D188-E197 PolarHBondContact N-OE1 3.26Å
189	N	68.3	Low	63.6	Low	129 Å²	129	74.4 Å²	74.4	69%	0.69	38%	0.383	S	S	*	.			trans	60.1	28.6	-178.9	-58.4	-87.9	0	0	0	113.1	D186 G191	D186-N189 WeakPolarHBondContact OD1-CA 3.45Å; D186-N189 PolarHBondContact OD1-N 2.99Å; D186-N189 WeakPolarHBondContact OD2-CA 3.46Å; N189-G191 PolarHBondContact O-N 3.44Å
190	D	75.1	Confident	63.5	Low	92 Å²	92	78.3 Å²	78.3	49%	0.492	39%	0.394	S	S	.	.	S	Bend	trans	-76.9	-9	177.3	85	-13.4	0	0	0	112.6	D186 D188 M192	D186-D190 PolarHBondContact OD1-N 3.37Å; D186-D190 VanDerWaalsContact OD1-N 3.1Å; D188-D190 PolarHBondContact O-N 3.3Å; D188-D190 VanDerWaalsContact OD1-CB 3.3Å; D188-D190 WeakPolarHBondContact OD1-CB 3.48Å; D188-D190 VanDerWaalsContact OD1-CG 3.23Å; D188-D190 PolarHBondContact OD1-N 2.84Å; D190-M192 VanDerWaalsContact C-N 3.28Å; D190-M192 VanDerWaalsContact OD1-CA 3.25Å; D190-M192 WeakPolarHBondContact OD1-CA 3.34Å; D190-M192 WeakPolarHBondContact OD1-CB 3.38Å; D190-M192 PolarHBondContact OD1-N 3.18Å
191	G	64.6	Low	63	Low	46 Å²	46	74.3 Å²	74.3	47%	0.474	37%	0.374	S	S	.	.	S	Bend	trans	82.4	4	-178.5	0	0	0	0	0	113.9	D186 N189	D186-G191 WeakPolarHBondContact OD2-CA 3.48Å; D186-G191 PolarHBondContact OD2-N 3.44Å; N189-G191 PolarHBondContact O-N 3.44Å
192	M	54	Low	62.3	Low	128 Å²	128	74.5 Å²	74.5	63%	0.631	37%	0.369	S	S	*	.	S	Bend	trans	-109.2	169.8	173.6	-56.9	-65.1	-144.5	0	0	109.5	D190	D190-M192 VanDerWaalsContact C-N 3.28Å; D190-M192 VanDerWaalsContact OD1-CA 3.25Å; D190-M192 WeakPolarHBondContact OD1-CA 3.34Å; D190-M192 WeakPolarHBondContact OD1-CB 3.38Å; D190-M192 PolarHBondContact OD1-N 3.18Å
193	L	60	Low	61.5	Low	39 Å²	39	75.7 Å²	75.7	20%	0.204	38%	0.383	C	S	.	.			trans	-121.8	107.5	166.3	-80.7	172.6	0	0	0	105.7	F182 F185 D186 E197 F198 V201	F182-L193 HydrophobicContact CD1-CD1 3.62Å; F182-L193 HydrophobicContact CD1-CG 3.89Å; F182-L193 HydrophobicContact CD2-CD1 4.11Å; F182-L193 HydrophobicContact CE1-CB 4.42Å; F182-L193 HydrophobicContact CE1-CD1 3.52Å; F182-L193 HydrophobicContact CE1-CG 3.94Å; F182-L193 HydrophobicContact CE2-CD1 3.95Å; F182-L193 HydrophobicContact CG-CD1 3.94Å; F182-L193 HydrophobicContact CZ-CD1 3.7Å; F185-L193 VanDerWaalsContact C-CD2 3.41Å; F185-L193 HydrophobicContact CB-CD1 4.5Å; F185-L193 HydrophobicContact CB-CD2 3.53Å; D186-L193 HydrophobicContact CB-CD2 4.32Å; L193-E197 HydrophobicContact CD2-CB 3.93Å; L193-F198 HydrophobicContact CD1-CD2 4.48Å; L193-V201 HydrophobicContact CD2-CG2 4.22Å
194	D	58.4	Low	60.3	Low	66 Å²	66	73.9 Å²	73.9	35%	0.353	38%	0.378	S	S	.	.			trans	-70.3	173.8	172.7	87.3	10.4	0	0	0	110.9	Y196 E197 F198	D194-Y196 VanDerWaalsContact C-N 3.27Å; D194-Y196 PolarHBondContact O-N 3.37Å; D194-Y196 VanDerWaalsContact OD1-CA 3.31Å; D194-Y196 WeakPolarHBondContact OD1-CA 3.5Å; D194-Y196 WeakPolarHBondContact OD1-CB 3.26Å; D194-Y196 PolarHBondContact OD1-N 3.24Å; D194-E197 PolarHBondContact N-OE2 2.78Å; D194-E197 WeakPolarHBondContact OD1-CB 3.22Å; D194-E197 WeakPolarHBondContact OD1-CG 3.29Å; D194-E197 PolarHBondContact OD1-N 3.35Å; D194-F198 WeakPolarHBondContact O-CB 3.33Å; D194-F198 PolarHBondContact O-N 3.3Å
195	Y	60.4	Low	59.1	Low	146 Å²	146	71.1 Å²	71.1	57%	0.573	36%	0.363	S	S	*	.	H	α-helix	trans	-60.8	-34.9	179.9	176	-98.3	0	0	0	113.3	N199	Y195-N199 WeakPolarHBondContact CE1-ND2 3.48Å; Y195-N199 WeakPolarHBondContact O-CB 3.31Å; Y195-N199 VanDerWaalsContact O-CG 3.25Å; Y195-N199 PolarHBondContact O-N 3.44Å; Y195-N199 PolarHBondContact O-ND2 3.24Å; Y195-N199 VanDerWaalsContact O-ND2 3.12Å
196	Y	62.9	Low	58	Low	169 Å²	169	76.7 Å²	76.7	66%	0.663	39%	0.39	S	S	*	.	H	α-helix	trans	-77.1	-42.5	-178.1	-69	-78.4	0	0	0	111.9	D194 N199 K200	D194-Y196 VanDerWaalsContact C-N 3.27Å; D194-Y196 PolarHBondContact O-N 3.37Å; D194-Y196 VanDerWaalsContact OD1-CA 3.31Å; D194-Y196 WeakPolarHBondContact OD1-CA 3.5Å; D194-Y196 WeakPolarHBondContact OD1-CB 3.26Å; D194-Y196 PolarHBondContact OD1-N 3.24Å; Y196-N199 CarbonylContact O-C 3.52Å; Y196-N199 WeakPolarHBondContact O-CA 3.43Å; Y196-N199 WeakPolarHBondContact O-CB 3.33Å; Y196-N199 PolarHBondContact O-N 2.62Å; Y196-N199 VanDerWaalsContact O-N 3.09Å; Y196-K200 PolarHBondContact O-N 2.97Å
197	E	62.8	Low	56.6	Low	10 Å²	10	86.3 Å²	86.3	5%	0.047	43%	0.425	C	S	.	.	H	α-helix	trans	-61.1	-47.8	171.6	-68.8	179.7	137.9	0	0	110.2	F185 L187 D188 L193 D194 N199 K200 V201	F185-E197 WeakPolarHBondContact O-CB 3.43Å; L187-E197 HydrophobicContact CB-CG 4.46Å; L187-E197 PolarHBondContact N-OE1 3.14Å; D188-E197 PolarHBondContact N-OE1 3.26Å; L193-E197 HydrophobicContact CD2-CB 3.93Å; D194-E197 PolarHBondContact N-OE2 2.78Å; D194-E197 WeakPolarHBondContact OD1-CB 3.22Å; D194-E197 WeakPolarHBondContact OD1-CG 3.29Å; D194-E197 PolarHBondContact OD1-N 3.35Å; E197-N199 PolarHBondContact O-N 2.53Å; E197-K200 CarbonylContact O-C 3.55Å; E197-K200 WeakPolarHBondContact O-CA 3.44Å; E197-K200 PolarHBondContact O-N 3.27Å; E197-V201 WeakPolarHBondContact O-CG2 3.32Å; E197-V201 PolarHBondContact O-N 2.8Å
198	F	60.4	Low	54.8	Low	63 Å²	63	88.5 Å²	88.5	28%	0.276	43%	0.431	S	S	.	.	H	α-helix	trans	-56.2	-31.5	171.2	-165	-101.8	0	0	0	112.9	F166 L193 D194 V201 K202	F166-F198 HydrophobicContact CE2-CE2 4.25Å; F166-F198 HydrophobicContact CE2-CZ 4.13Å; L193-F198 HydrophobicContact CD1-CD2 4.48Å; D194-F198 WeakPolarHBondContact O-CB 3.33Å; D194-F198 PolarHBondContact O-N 3.3Å; F198-V201 WeakPolarHBondContact O-CB 3.36Å; F198-K202 VanDerWaalsContact CD1-CE 3.47Å; F198-K202 WeakPolarHBondContact O-CG 2.84Å; F198-K202 PolarHBondContact O-N 3.03Å
199	N	57.4	Low	52.8	Low	39 Å²	39	93.7 Å²	93.7	21%	0.209	45%	0.449	C	S	.	.	H	α-helix	trans	-80.2	-30.9	174.2	-76.9	-31.5	0	0	0	113.3	Y195 Y196 E197 V201 K202 C203	Y195-N199 WeakPolarHBondContact CE1-ND2 3.48Å; Y195-N199 WeakPolarHBondContact O-CB 3.31Å; Y195-N199 VanDerWaalsContact O-CG 3.25Å; Y195-N199 PolarHBondContact O-N 3.44Å; Y195-N199 PolarHBondContact O-ND2 3.24Å; Y195-N199 VanDerWaalsContact O-ND2 3.12Å; Y196-N199 CarbonylContact O-C 3.52Å; Y196-N199 WeakPolarHBondContact O-CA 3.43Å; Y196-N199 WeakPolarHBondContact O-CB 3.33Å; Y196-N199 PolarHBondContact O-N 2.62Å; Y196-N199 VanDerWaalsContact O-N 3.09Å; E197-N199 PolarHBondContact O-N 2.53Å; N199-V201 VanDerWaalsContact C-N 3.32Å; N199-K202 WeakPolarHBondContact O-CB 3.44Å; N199-K202 PolarHBondContact O-N 2.89Å; N199-K202 WeakPolarHBondContact OD1-CD 3.38Å; N199-K202 WeakPolarHBondContact OD1-CE 3.37Å; N199-K202 PolarHBondContact OD1-NZ 2.8Å; N199-C203 PolarHBondContact O-N 2.97Å
200	K	56.4	Low	51	Low	115 Å²	115	95.5 Å²	95.5	50%	0.5	45%	0.453	S	S	.	.	H	α-helix	trans	-70.2	-32.1	170.9	-71.2	-178.1	-177.6	176.9	0	111.6	L187 Y196 E197 K202 C203 L204	L187-K200 HydrophobicContact CD1-CD 3.35Å; Y196-K200 PolarHBondContact O-N 2.97Å; E197-K200 CarbonylContact O-C 3.55Å; E197-K200 WeakPolarHBondContact O-CA 3.44Å; E197-K200 PolarHBondContact O-N 3.27Å; K200-K202 PolarHBondContact O-N 3.48Å; K200-C203 PolarHBondContact O-N 3.36Å; K200-L204 PolarHBondContact O-N 2.91Å
201	V	51.7	Low	49	Very low	21 Å²	21	98.1 Å²	98.1	13%	0.127	47%	0.467	C	S	.	.	H	α-helix	trans	-52.2	-46.6	167.2	173.3	0	0	0	0	111.5	F185 L193 E197 F198 N199 C203 L204 A205	F185-V201 HydrophobicContact CB-CB 4.34Å; F185-V201 HydrophobicContact CB-CG2 3.11Å; F185-V201 VanDerWaalsContact CD1-CA 3.42Å; F185-V201 HydrophobicContact CD1-CB 3.7Å; F185-V201 HydrophobicContact CD1-CG1 4.07Å; F185-V201 HydrophobicContact CD1-CG2 3.31Å; F185-V201 HydrophobicContact CD2-CB 3.78Å; F185-V201 HydrophobicContact CD2-CG1 3.38Å; F185-V201 HydrophobicContact CD2-CG2 3.31Å; F185-V201 HydrophobicContact CE1-CB 3.9Å; F185-V201 HydrophobicContact CE1-CG1 3.92Å; F185-V201 HydrophobicContact CE1-CG2 4.02Å; F185-V201 HydrophobicContact CE2-CB 4.01Å; F185-V201 HydrophobicContact CE2-CG1 3.25Å; F185-V201 HydrophobicContact CE2-CG2 4.06Å; F185-V201 HydrophobicContact CG-CB 3.69Å; F185-V201 HydrophobicContact CG-CG1 3.86Å; F185-V201 HydrophobicContact CG-CG2 2.92Å; F185-V201 HydrophobicContact CZ-CB 4.06Å; F185-V201 HydrophobicContact CZ-CG1 3.53Å; F185-V201 HydrophobicContact CZ-CG2 4.36Å; L193-V201 HydrophobicContact CD2-CG2 4.22Å; E197-V201 WeakPolarHBondContact O-CG2 3.32Å; E197-V201 PolarHBondContact O-N 2.8Å; F198-V201 WeakPolarHBondContact O-CB 3.36Å; N199-V201 VanDerWaalsContact C-N 3.32Å; V201-C203 VanDerWaalsContact C-N 3.29Å; V201-C203 PolarHBondContact O-N 3.42Å; V201-L204 PolarHBondContact O-N 3.46Å; V201-A205 WeakPolarHBondContact O-CB 3.4Å; V201-A205 PolarHBondContact O-N 2.85Å
202	K	44.8	Very low	47.1	Very low	39 Å²	39	104.8 Å²	104.8	17%	0.17	48%	0.483	C	S	.	.	H	α-helix	trans	-61.8	-36.7	178.8	-65.3	171.4	-170.4	169.3	0	111.9	F198 N199 K200	F198-K202 VanDerWaalsContact CD1-CE 3.47Å; F198-K202 WeakPolarHBondContact O-CG 2.84Å; F198-K202 PolarHBondContact O-N 3.03Å; N199-K202 WeakPolarHBondContact O-CB 3.44Å; N199-K202 PolarHBondContact O-N 2.89Å; N199-K202 WeakPolarHBondContact OD1-CD 3.38Å; N199-K202 WeakPolarHBondContact OD1-CE 3.37Å; N199-K202 PolarHBondContact OD1-NZ 2.8Å; K200-K202 PolarHBondContact O-N 3.48Å
203	C	44	Very low	45.8	Very low	82 Å²	82	104 Å²	104	55%	0.554	49%	0.485	S	S	*	.	H	α-helix	trans	-81.4	-34	-179.9	-76.5	0	0	0	0	114.5	N199 K200 V201 Q206	N199-C203 PolarHBondContact O-N 2.97Å; K200-C203 PolarHBondContact O-N 3.36Å; V201-C203 VanDerWaalsContact C-N 3.29Å; V201-C203 PolarHBondContact O-N 3.42Å; C203-Q206 WeakPolarHBondContact O-CB 3.21Å
204	L	40.1	Very low	44.2	Very low	71 Å²	71	107.6 Å²	107.6	37%	0.372	51%	0.508	S	S	.	.	H	α-helix	trans	-81.4	-35	-178.4	-92.1	153.6	0	0	0	112.5	F185 K200 V201 Q206 R207 F208	F185-L204 HydrophobicContact CE1-CB 3.92Å; K200-L204 PolarHBondContact O-N 2.91Å; V201-L204 PolarHBondContact O-N 3.46Å; L204-Q206 PolarHBondContact O-N 3.33Å; L204-R207 PolarHBondContact O-N 2.92Å; L204-F208 HydrophobicContact CD2-CD2 4.39Å; L204-F208 HydrophobicContact CD2-CE2 4.04Å
205	A	41.6	Very low	42.6	Very low	19 Å²	19	115.9 Å²	115.9	16%	0.157	54%	0.535	C	S	.	.	H	α-helix	trans	-62.6	-25.4	173.6	0	0	0	0	0	111.9	F185 V201 R207 F370	F185-A205 HydrophobicContact CZ-CB 4.29Å; V201-A205 WeakPolarHBondContact O-CB 3.4Å; V201-A205 PolarHBondContact O-N 2.85Å; A205-R207 PolarHBondContact O-N 3.42Å; A205-F370 HydrophobicContact CB-CE1 3.57Å; A205-F370 HydrophobicContact CB-CZ 3.57Å; A205-F370 WeakPolarHBondContact O-CZ 3.1Å
206	Q	40.1	Very low	40.8	Very low	141 Å²	141	117.5 Å²	117.5	66%	0.659	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.5	171.1	-96.9	176	-11.5	0	0	114.2	C203 L204 F370	C203-Q206 WeakPolarHBondContact O-CB 3.21Å; L204-Q206 PolarHBondContact O-N 3.33Å; Q206-F370 HydrophobicContact CG-CD1 4.39Å
207	R	40.9	Very low	39.2	Very low	219 Å²	219	112.9 Å²	112.9	83%	0.826	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-21.8	-169.3	-105.3	173.7	159.8	136.9	-6.1	115.4	L204 A205	L204-R207 PolarHBondContact O-N 2.92Å; A205-R207 PolarHBondContact O-N 3.42Å
208	F	32.5	Very low	37.8	Very low	132 Å²	132	119.1 Å²	119.1	58%	0.579	58%	0.575	S	S	*	*			trans	-106	106.2	-173.9	-81.8	-86.5	0	0	0	112.5	L204 L211	L204-F208 HydrophobicContact CD2-CD2 4.39Å; L204-F208 HydrophobicContact CD2-CE2 4.04Å; F208-L211 HydrophobicContact CD1-CD1 4.39Å; F208-L211 HydrophobicContact CE1-CD1 4.12Å
209	K	31.9	Very low	36.4	Very low	201 Å²	201	125.7 Å²	125.7	87%	0.874	60%	0.599	S	S	*	*			trans	-96	-11.8	170.6	-85.7	-177	177.5	176.4	0	113.9
210	E	32.1	Very low	35.5	Very low	167 Å²	167	133.2 Å²	133.2	78%	0.78	63%	0.63	S	S	*	*			trans	-151.9	122.8	-168.1	-62.8	178.7	179.2	0	0	110.3
211	L	31.2	Very low	34.4	Very low	147 Å²	147	130.6 Å²	130.6	77%	0.77	62%	0.624	S	S	*	*			trans	160.4	87.2	159.7	-90	156.8	0	0	0	107.2	F208	F208-L211 HydrophobicContact CD1-CD1 4.39Å; F208-L211 HydrophobicContact CE1-CD1 4.12Å
212	F	26.1	Very low	33.5	Very low	187 Å²	187	133.4 Å²	133.4	82%	0.82	64%	0.641	S	S	*	*				53.6	109.3	79.2	-112.1	-102.4	0	0	0	114.5
213	V	26.5	Very low	32.9	Very low	110 Å²	110	134.6 Å²	134.6	67%	0.667	66%	0.658	S	S	*	*			trans	78.3	122.6	132.4	168.4	0	0	0	0	118.9
214	V	25.5	Very low	32.2	Very low	116 Å²	116	138.3 Å²	138.3	70%	0.703	67%	0.665	S	S	*	*			trans	78.9	101.7	149.7	167	0	0	0	0	116.7
215	W	25.3	Very low	31.9	Very low	240 Å²	240	136.8 Å²	136.8	91%	0.909	66%	0.656	S	S	*	*				165.1	164.4	92.9	-128.1	48.6	0	0	0	114.9
216	K	23.4	Very low	31.6	Very low	180 Å²	180	139.2 Å²	139.2	78%	0.783	66%	0.661	S	S	*	*			trans	-72.4	159.3	-162.9	-120.1	171.3	176.6	175.8	0	116.4
217	A	28.7	Very low	31.1	Very low	71 Å²	71	141.7 Å²	141.7	59%	0.587	66%	0.664	S	S	*	*			trans	80.6	114.7	155.1	0	0	0	0	0	120.4	K183	K183-A217 PolarHBondContact NZ-O 3.06Å
218	N	33	Very low	30.7	Very low	141 Å²	141	134.2 Å²	134.2	75%	0.754	64%	0.638	S	S	*	*				-175.3	145.5	118.4	-99.3	-36	0	0	0	113.5
219	Y	32.5	Very low	31	Very low	201 Å²	201	130.9 Å²	130.9	79%	0.788	62%	0.623	S	S	*	*			trans	-97.4	8	-148.5	-122.9	-104.1	0	0	0	116.8	T222	Y219-T222 PolarHBondContact O-OG1 3.43Å; Y219-T222 VanDerWaalsContact O-OG1 3.07Å
220	K	37.6	Very low	31.1	Very low	197 Å²	197	121.6 Å²	121.6	86%	0.857	58%	0.583	S	S	*	*	S	Bend	trans	-103.6	-24.4	-166.7	-72.4	-175.6	177.7	178.2	0	116.9	T222	K220-T222 PolarHBondContact O-N 3.49Å
221	V	32.2	Very low	31.3	Very low	60 Å²	60	116 Å²	116	36%	0.364	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.4	-8.5	-178.8	-177.7	0	0	0	0	112.7	F178 A223	F178-V221 HydrophobicContact CE1-CG1 4.5Å; V221-A223 PolarHBondContact O-N 3.47Å
222	T	33.8	Very low	31.7	Very low	81 Å²	81	109.7 Å²	109.7	50%	0.497	52%	0.524	S	S	.	.	H	α-helix	trans	-63.9	-32.5	179.9	43.4	0	0	0	0	113.1	Y219 K220 R226	Y219-T222 PolarHBondContact O-OG1 3.43Å; Y219-T222 VanDerWaalsContact O-OG1 3.07Å; K220-T222 PolarHBondContact O-N 3.49Å; T222-R226 WeakPolarHBondContact O-CA 3.29Å; T222-R226 WeakPolarHBondContact O-CB 3.07Å; T222-R226 PolarHBondContact O-N 2.86Å
223	A	32	Very low	32.5	Very low	64 Å²	64	100.9 Å²	100.9	53%	0.529	49%	0.486	S	S	.	.	H	α-helix	trans	-68.7	-41.1	-172.9	0	0	0	0	0	114.5	V221 R227	V221-A223 PolarHBondContact O-N 3.47Å; A223-R227 PolarHBondContact O-N 3.37Å
224	F	28.7	Very low	33.1	Very low	160 Å²	160	97.3 Å²	97.3	70%	0.702	46%	0.462	S	S	*	.	H	α-helix	trans	-70.8	-47	179	179.2	-99	0	0	0	111.4	R226 R227 F228	F224-R226 VanDerWaalsContact C-N 3.34Å; F224-R226 PolarHBondContact O-N 2.87Å; F224-R227 PolarHBondContact O-N 2.82Å; F224-F228 WeakPolarHBondContact O-CB 3.01Å; F224-F228 PolarHBondContact O-N 2.7Å
225	K	35.1	Very low	33.7	Very low	39 Å²	39	95.5 Å²	95.5	17%	0.17	44%	0.444	C	S	.	.	H	α-helix	trans	-58.7	-46.5	172.4	-81.2	-165.5	171.7	-164.2	0	110.5	R227 F228 F229	K225-R227 PolarHBondContact O-N 3.33Å; K225-F228 PolarHBondContact O-N 2.82Å; K225-F229 WeakPolarHBondContact O-CA 3.29Å; K225-F229 WeakPolarHBondContact O-CB 3.02Å; K225-F229 PolarHBondContact O-N 2.96Å
226	R	35	Very low	34.6	Very low	69 Å²	69	85 Å²	85	26%	0.26	41%	0.405	S	S	.	.	H	α-helix	trans	-62.5	-42.8	-179.1	-168	175.5	-145.3	-126.2	-5.9	112.6	T222 F224 N230 E278 R319	T222-R226 WeakPolarHBondContact O-CA 3.29Å; T222-R226 WeakPolarHBondContact O-CB 3.07Å; T222-R226 PolarHBondContact O-N 2.86Å; F224-R226 VanDerWaalsContact C-N 3.34Å; F224-R226 PolarHBondContact O-N 2.87Å; R226-N230 WeakPolarHBondContact CG-ND2 3.38Å; R226-N230 WeakPolarHBondContact O-CB 3.48Å; R226-N230 PolarHBondContact O-N 3.47Å; R226-N230 PolarHBondContact O-ND2 2.83Å; R226-N230 PolarHBondContact O-OD1 3.3Å; R226-E278 IonicContact CZ-OE1 2.83Å; R226-E278 IonicContact CZ-OE2 2.84Å; R226-E278 IonicContact NE-OE1 3.01Å; R226-E278 PolarHBondContact NE-OE1 3.08Å; R226-E278 IonicContact NH1-OE1 3.17Å; R226-E278 PolarHBondContact NH1-OE1 3Å; R226-E278 IonicContact NH1-OE2 3.1Å; R226-E278 PolarHBondContact NH1-OE2 2.93Å; R226-E278 IonicContact NH2-OE1 3.97Å; R226-E278 IonicContact NH2-OE2 2.93Å; R226-E278 PolarHBondContact NH2-OE2 3.21Å; R226-E278 VanDerWaalsContact NH2-OE2 3.09Å; R226-R319 VanDerWaalsContact NH1-NH2 3.12Å
227	R	30.3	Very low	35.4	Very low	194 Å²	194	79.6 Å²	79.6	73%	0.732	38%	0.381	S	S	*	.	H	α-helix	trans	-66	-48.5	175.1	-88.8	-176.6	175.4	155	-0.8	112.7	A223 F224 K225 I231	A223-R227 PolarHBondContact O-N 3.37Å; F224-R227 PolarHBondContact O-N 2.82Å; K225-R227 PolarHBondContact O-N 3.33Å; R227-I231 WeakPolarHBondContact O-CB 3.41Å; R227-I231 WeakPolarHBondContact O-CD1 3.46Å; R227-I231 WeakPolarHBondContact O-CG1 3.39Å; R227-I231 PolarHBondContact O-N 3.45Å; R227-I231 VanDerWaalsContact O-N 3.08Å
228	F	31.8	Very low	36	Very low	61 Å²	61	78.3 Å²	78.3	27%	0.268	36%	0.363	S	S	.	.	H	α-helix	trans	-67.7	-39.4	-178.6	-157.4	-91.1	0	0	0	111.6	F153 F224 K225 F232	F153-F228 AromaticContact CE1-CE2 3.95Å; F153-F228 HydrophobicContact CE1-CE2 3.95Å; F153-F228 HydrophobicContact CE1-CZ 4.44Å; F153-F228 HydrophobicContact CZ-CE2 4.05Å; F153-F228 HydrophobicContact CZ-CZ 4.37Å; F224-F228 WeakPolarHBondContact O-CB 3.01Å; F224-F228 PolarHBondContact O-N 2.7Å; K225-F228 PolarHBondContact O-N 2.82Å; F228-F232 WeakPolarHBondContact O-CB 3.29Å; F228-F232 PolarHBondContact O-N 3.19Å
229	F	39.1	Very low	36.3	Very low	63 Å²	63	71.8 Å²	71.8	28%	0.276	33%	0.329	S	S	.	.	H	α-helix	trans	-70.4	-46.4	178.3	-168.4	-87.3	0	0	0	112	K225 I231 F232 V233 F281 F356	K225-F229 WeakPolarHBondContact O-CA 3.29Å; K225-F229 WeakPolarHBondContact O-CB 3.02Å; K225-F229 PolarHBondContact O-N 2.96Å; F229-I231 VanDerWaalsContact C-N 3.34Å; F229-I231 PolarHBondContact O-N 3.04Å; F229-F232 PolarHBondContact O-N 2.88Å; F229-V233 HydrophobicContact CD1-CG2 3.95Å; F229-V233 HydrophobicContact CE1-CG2 4.08Å; F229-V233 HydrophobicContact CG-CG2 4.29Å; F229-V233 WeakPolarHBondContact O-CG2 3.2Å; F229-V233 PolarHBondContact O-N 3.32Å; F229-F281 HydrophobicContact CD1-CB 4.19Å; F229-F281 HydrophobicContact CD1-CD1 4.13Å; F229-F281 HydrophobicContact CD1-CG 4.07Å; F229-F281 HydrophobicContact CE1-CB 3.88Å; F229-F281 AromaticContact CE1-CD1 3.45Å; F229-F281 HydrophobicContact CE1-CD1 3.45Å; F229-F281 VanDerWaalsContact CE1-CD1 3.45Å; F229-F281 HydrophobicContact CE1-CE1 4.41Å; F229-F281 AromaticContact CE1-CG 3.77Å; F229-F281 HydrophobicContact CE1-CG 3.77Å; F229-F281 HydrophobicContact CZ-CD1 4.34Å; F229-F356 HydrophobicContact CD2-CE2 4.12Å; F229-F356 AromaticContact CD2-CZ 3.75Å; F229-F356 HydrophobicContact CD2-CZ 3.75Å; F229-F356 HydrophobicContact CE1-CZ 4.38Å; F229-F356 AromaticContact CE2-CE2 3.35Å; F229-F356 HydrophobicContact CE2-CE2 3.35Å; F229-F356 AromaticContact CE2-CZ 3.22Å; F229-F356 HydrophobicContact CE2-CZ 3.22Å; F229-F356 AromaticContact CZ-CE2 3.9Å; F229-F356 HydrophobicContact CZ-CE2 3.9Å; F229-F356 AromaticContact CZ-CZ 3.55Å; F229-F356 HydrophobicContact CZ-CZ 3.55Å
230	N	34	Very low	36.5	Very low	5 Å²	5	63.5 Å²	63.5	3%	0.027	30%	0.299	C	S	.	.	H	α-helix	trans	-64.6	-39.1	178.2	-67.2	-6.9	0	0	0	111.4	R226 F234 F274 E278	R226-N230 WeakPolarHBondContact CG-ND2 3.38Å; R226-N230 WeakPolarHBondContact O-CB 3.48Å; R226-N230 PolarHBondContact O-N 3.47Å; R226-N230 PolarHBondContact O-ND2 2.83Å; R226-N230 PolarHBondContact O-OD1 3.3Å; N230-F234 WeakPolarHBondContact O-CB 3.34Å; N230-F234 PolarHBondContact O-N 3.35Å; N230-F234 VanDerWaalsContact O-N 3.09Å; N230-F274 HydrophobicContact CB-CE2 4.02Å; N230-F274 HydrophobicContact CB-CZ 3.83Å; N230-E278 WeakPolarHBondContact ND2-CG 3.47Å; N230-E278 PolarHBondContact ND2-OE1 3.32Å; N230-E278 VanDerWaalsContact ND2-OE1 3.14Å
231	I	36.3	Very low	36.5	Very low	50 Å²	50	55.9 Å²	55.9	26%	0.256	27%	0.266	S	S	.	.	H	α-helix	trans	-68	-47.6	174	-68.3	168.4	0	0	0	110.6	L152 R227 F229 V233 F235	L152-I231 HydrophobicContact CD2-CG2 3.93Å; R227-I231 WeakPolarHBondContact O-CB 3.41Å; R227-I231 WeakPolarHBondContact O-CD1 3.46Å; R227-I231 WeakPolarHBondContact O-CG1 3.39Å; R227-I231 PolarHBondContact O-N 3.45Å; R227-I231 VanDerWaalsContact O-N 3.08Å; F229-I231 VanDerWaalsContact C-N 3.34Å; F229-I231 PolarHBondContact O-N 3.04Å; I231-V233 PolarHBondContact O-N 3.33Å; I231-F235 HydrophobicContact CG2-CD2 4.16Å; I231-F235 WeakPolarHBondContact O-CB 3.03Å; I231-F235 PolarHBondContact O-N 3.35Å
232	F	39.5	Very low	36.7	Very low	14 Å²	14	55.1 Å²	55.1	6%	0.061	26%	0.258	C	S	.	.	H	α-helix	trans	-57.6	-46.9	-179.4	-179	-82.4	0	0	0	112	F119 L120 L123 L171 F228 F229 F236 F356	F119-F232 HydrophobicContact CE1-CE2 4.17Å; L120-F232 HydrophobicContact CD2-CD2 3.13Å; L120-F232 HydrophobicContact CD2-CE2 3.3Å; L120-F232 HydrophobicContact CD2-CG 4.02Å; L120-F232 HydrophobicContact CD2-CZ 4.3Å; L120-F232 HydrophobicContact CG-CE2 4.45Å; L123-F232 HydrophobicContact CB-CE2 4.42Å; L123-F232 HydrophobicContact CB-CZ 3.69Å; L123-F232 HydrophobicContact CD1-CE2 3.52Å; L123-F232 HydrophobicContact CD1-CZ 3.35Å; L123-F232 HydrophobicContact CG-CZ 4.14Å; L171-F232 HydrophobicContact CD1-CE2 4.17Å; L171-F232 HydrophobicContact CD1-CZ 4.36Å; F228-F232 WeakPolarHBondContact O-CB 3.29Å; F228-F232 PolarHBondContact O-N 3.19Å; F229-F232 PolarHBondContact O-N 2.88Å; F232-F236 WeakPolarHBondContact O-CB 3.44Å; F232-F236 PolarHBondContact O-N 3.07Å; F232-F356 HydrophobicContact CD1-CE1 4.1Å; F232-F356 HydrophobicContact CE1-CD1 4.22Å; F232-F356 HydrophobicContact CE1-CE1 4.01Å
233	V	42.5	Very low	36.7	Very low	2 Å²	2	53 Å²	53	1%	0.012	25%	0.252	C	S	.	.	H	α-helix	trans	-85.1	-32.5	-174.6	-152.4	0	0	0	0	113.1	F229 I231 K237 F281 F356	F229-V233 HydrophobicContact CD1-CG2 3.95Å; F229-V233 HydrophobicContact CE1-CG2 4.08Å; F229-V233 HydrophobicContact CG-CG2 4.29Å; F229-V233 WeakPolarHBondContact O-CG2 3.2Å; F229-V233 PolarHBondContact O-N 3.32Å; I231-V233 PolarHBondContact O-N 3.33Å; V233-K237 HydrophobicContact CG1-CB 3.69Å; V233-K237 HydrophobicContact CG1-CD 3.79Å; V233-K237 HydrophobicContact CG1-CG 4.39Å; V233-K237 WeakPolarHBondContact O-CB 3.43Å; V233-K237 PolarHBondContact O-N 2.59Å; V233-K237 VanDerWaalsContact O-N 3.17Å; V233-F281 HydrophobicContact CB-CD1 4.2Å; V233-F281 HydrophobicContact CB-CD2 4.2Å; V233-F281 HydrophobicContact CB-CE1 3.46Å; V233-F281 VanDerWaalsContact CB-CE1 3.46Å; V233-F281 HydrophobicContact CB-CE2 3.41Å; V233-F281 VanDerWaalsContact CB-CE2 3.41Å; V233-F281 HydrophobicContact CB-CZ 3.08Å; V233-F281 HydrophobicContact CG1-CD1 4.36Å; V233-F281 HydrophobicContact CG1-CE1 3.25Å; V233-F281 HydrophobicContact CG1-CE2 3.84Å; V233-F281 HydrophobicContact CG1-CZ 2.97Å; V233-F281 HydrophobicContact CG2-CD1 3.97Å; V233-F281 HydrophobicContact CG2-CD2 4.48Å; V233-F281 HydrophobicContact CG2-CE1 3.61Å; V233-F281 HydrophobicContact CG2-CE2 4.12Å; V233-F281 HydrophobicContact CG2-CG 4.46Å; V233-F281 HydrophobicContact CG2-CZ 3.79Å; V233-F356 HydrophobicContact CG1-CE1 4.4Å; V233-F356 HydrophobicContact CG2-CE1 3.64Å; V233-F356 HydrophobicContact CG2-CZ 3.88Å
234	F	39.8	Very low	36.8	Very low	36 Å²	36	55.9 Å²	55.9	16%	0.158	26%	0.259	C	S	.	.	I	π-helix	trans	-64.6	-53	174.3	-175.8	-121.5	0	0	0	111.9	N230 F236 A239 F242 V272 F274 V277	N230-F234 WeakPolarHBondContact O-CB 3.34Å; N230-F234 PolarHBondContact O-N 3.35Å; N230-F234 VanDerWaalsContact O-N 3.09Å; F234-F236 VanDerWaalsContact C-N 3.35Å; F234-F236 PolarHBondContact O-N 3.34Å; F234-A239 PolarHBondContact O-N 2.94Å; F234-F242 HydrophobicContact CD2-CE2 4.09Å; F234-F242 HydrophobicContact CD2-CZ 4.5Å; F234-F242 AromaticContact CE2-CE2 3.68Å; F234-F242 HydrophobicContact CE2-CE2 3.68Å; F234-F242 AromaticContact CE2-CZ 3.79Å; F234-F242 HydrophobicContact CE2-CZ 3.79Å; F234-F242 HydrophobicContact CZ-CE2 4.33Å; F234-F242 HydrophobicContact CZ-CZ 4.48Å; F234-V272 HydrophobicContact CE2-CG1 4.47Å; F234-F274 HydrophobicContact CD1-CD2 4.46Å; F234-V277 HydrophobicContact CB-CG1 3.81Å; F234-V277 HydrophobicContact CD2-CB 3.71Å; F234-V277 HydrophobicContact CD2-CG1 3.6Å; F234-V277 HydrophobicContact CD2-CG2 3.22Å; F234-V277 HydrophobicContact CE2-CB 4.2Å; F234-V277 HydrophobicContact CE2-CG2 3.33Å; F234-V277 HydrophobicContact CG-CB 4.42Å; F234-V277 HydrophobicContact CG-CG1 4.07Å; F234-V277 HydrophobicContact CG-CG2 4.33Å
235	F	38.2	Very low	37.1	Very low	78 Å²	78	53.7 Å²	53.7	34%	0.342	26%	0.264	S	S	.	.	I	π-helix	trans	-77.1	-14	-173.9	-90.3	-84.8	0	0	0	114.7	I231 A239 L246	I231-F235 HydrophobicContact CG2-CD2 4.16Å; I231-F235 WeakPolarHBondContact O-CB 3.03Å; I231-F235 PolarHBondContact O-N 3.35Å; F235-A239 WeakPolarHBondContact O-CB 3.48Å; F235-L246 HydrophobicContact CD1-CD1 4.38Å; F235-L246 HydrophobicContact CE1-CD1 4.07Å
236	F	42.8	Very low	36.9	Very low	20 Å²	20	56.5 Å²	56.5	9%	0.088	28%	0.28	C	S	.	.	I	π-helix	trans	-126.5	-31.7	-171.6	-67.3	-86.3	0	0	0	114.3	Y117 L120 T124 F232 F234	Y117-F236 HydrophobicContact CD1-CE1 4.35Å; Y117-F236 HydrophobicContact CD1-CZ 4.01Å; Y117-F236 HydrophobicContact CE1-CZ 4.18Å; L120-F236 HydrophobicContact CB-CD1 3.64Å; L120-F236 HydrophobicContact CB-CD2 4.17Å; L120-F236 HydrophobicContact CB-CE1 3.64Å; L120-F236 HydrophobicContact CB-CE2 4.2Å; L120-F236 HydrophobicContact CB-CG 3.91Å; L120-F236 HydrophobicContact CB-CZ 3.94Å; L120-F236 HydrophobicContact CD1-CD2 3.98Å; L120-F236 HydrophobicContact CD1-CE1 3.89Å; L120-F236 HydrophobicContact CD1-CE2 3.3Å; L120-F236 HydrophobicContact CD1-CZ 3.24Å; L120-F236 HydrophobicContact CD2-CD2 3.64Å; L120-F236 HydrophobicContact CD2-CE2 3.86Å; L120-F236 HydrophobicContact CD2-CG 4.07Å; L120-F236 HydrophobicContact CD2-CZ 4.41Å; L120-F236 HydrophobicContact CG-CD1 4.41Å; L120-F236 HydrophobicContact CG-CD2 4.1Å; L120-F236 HydrophobicContact CG-CE1 4.23Å; L120-F236 HydrophobicContact CG-CE2 3.93Å; L120-F236 HydrophobicContact CG-CG 4.35Å; L120-F236 HydrophobicContact CG-CZ 3.99Å; T124-F236 HydrophobicContact CG2-CB 4.46Å; T124-F236 WeakPolarHBondContact CG2-O 3.32Å; F232-F236 WeakPolarHBondContact O-CB 3.44Å; F232-F236 PolarHBondContact O-N 3.07Å; F234-F236 VanDerWaalsContact C-N 3.35Å; F234-F236 PolarHBondContact O-N 3.34Å
237	K	40	Very low	36.6	Very low	65 Å²	65	56.7 Å²	56.7	28%	0.283	30%	0.303	S	S	.	.	I	π-helix	trans	-84.1	-33.7	174.3	-157.9	173.8	-177.3	179.8	0	112.5	V233 N353	V233-K237 HydrophobicContact CG1-CB 3.69Å; V233-K237 HydrophobicContact CG1-CD 3.79Å; V233-K237 HydrophobicContact CG1-CG 4.39Å; V233-K237 WeakPolarHBondContact O-CB 3.43Å; V233-K237 PolarHBondContact O-N 2.59Å; V233-K237 VanDerWaalsContact O-N 3.17Å; K237-N353 PolarHBondContact NZ-OD1 2.9Å
238	F	42.1	Very low	36.7	Very low	45 Å²	45	50.7 Å²	50.7	20%	0.197	28%	0.283	C	S	.	.	I	π-helix	trans	-109.7	-15.1	-178.6	-68.6	-81.3	0	0	0	115	P240 F241 F242 F280 F281	F238-P240 WeakPolarHBondContact O-CD 3.25Å; F238-P240 VanDerWaalsContact O-N 3.1Å; F238-F241 HydrophobicContact CD1-CD2 4.01Å; F238-F241 HydrophobicContact CD1-CG 4.42Å; F238-F241 CarbonylContact O-C 3.5Å; F238-F241 VanDerWaalsContact O-CA 3.29Å; F238-F241 WeakPolarHBondContact O-CA 3.46Å; F238-F241 VanDerWaalsContact O-CB 3.25Å; F238-F241 WeakPolarHBondContact O-CB 3.42Å; F238-F241 PolarHBondContact O-N 3.18Å; F238-F242 VanDerWaalsContact C-CD2 3.43Å; F238-F242 HydrophobicContact CB-CD2 4.09Å; F238-F242 HydrophobicContact CB-CE2 3.53Å; F238-F242 HydrophobicContact CB-CZ 4.35Å; F238-F242 WeakPolarHBondContact O-CD2 3.34Å; F238-F242 PolarHBondContact O-N 2.98Å; F238-F242 VanDerWaalsContact O-N 3.12Å; F238-F280 HydrophobicContact CE2-CD1 4.26Å; F238-F280 AromaticContact CE2-CE1 3.88Å; F238-F280 HydrophobicContact CE2-CE1 3.88Å; F238-F280 HydrophobicContact CZ-CD1 4.4Å; F238-F280 AromaticContact CZ-CE1 3.79Å; F238-F280 HydrophobicContact CZ-CE1 3.79Å; F238-F280 HydrophobicContact CZ-CZ 4.27Å; F238-F281 HydrophobicContact CE2-CZ 4.14Å
239	A	38.3	Very low	36.7	Very low	4 Å²	4	53.5 Å²	53.5	3%	0.033	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-29.7	168.4	0	0	0	0	0	116.2	F234 F235 F241 F242 F248	F234-A239 PolarHBondContact O-N 2.94Å; F235-A239 WeakPolarHBondContact O-CB 3.48Å; A239-F241 VanDerWaalsContact C-N 3.28Å; A239-F241 PolarHBondContact O-N 3Å; A239-F242 PolarHBondContact O-N 2.87Å; A239-F248 HydrophobicContact CB-CD2 4.39Å; A239-F248 HydrophobicContact CB-CE2 4.14Å
240	P	37.8	Very low	36.3	Very low	27 Å²	27	55 Å²	55	18%	0.175	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-21.9	171	-15.9	31	0	0	0	114.3	M127 F238	M127-P240 HydrophobicContact SD-CG 4.13Å; F238-P240 WeakPolarHBondContact O-CD 3.25Å; F238-P240 VanDerWaalsContact O-N 3.1Å
241	F	38.3	Very low	36.2	Very low	37 Å²	37	57.2 Å²	57.2	16%	0.162	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-13.8	170.3	-71.9	-93.1	0	0	0	112.1	F238 A239 G243 W254 F265 W266	F238-F241 HydrophobicContact CD1-CD2 4.01Å; F238-F241 HydrophobicContact CD1-CG 4.42Å; F238-F241 CarbonylContact O-C 3.5Å; F238-F241 VanDerWaalsContact O-CA 3.29Å; F238-F241 WeakPolarHBondContact O-CA 3.46Å; F238-F241 VanDerWaalsContact O-CB 3.25Å; F238-F241 WeakPolarHBondContact O-CB 3.42Å; F238-F241 PolarHBondContact O-N 3.18Å; A239-F241 VanDerWaalsContact C-N 3.28Å; A239-F241 PolarHBondContact O-N 3Å; F241-G243 PolarHBondContact O-N 2.77Å; F241-W254 HydrophobicContact CE2-CZ2 4.28Å; F241-W254 AromaticContact CE2-NE1 3.67Å; F241-W254 AromaticContact CZ-CD1 3.92Å; F241-W254 AromaticContact CZ-NE1 3.59Å; F241-F265 HydrophobicContact CD1-CE1 4.08Å; F241-F265 HydrophobicContact CE1-CE1 4.29Å; F241-W266 VanDerWaalsContact O-CZ3 3.31Å; F241-W266 WeakPolarHBondContact O-CZ3 3.38Å
242	F	36.2	Very low	36.1	Very low	43 Å²	43	57.6 Å²	57.6	19%	0.189	35%	0.348	C	S	.	.	S	Bend	trans	-99.9	51.1	179.3	-64.9	-63.6	0	0	0	112.3	F234 F238 A239 C269 V272	F234-F242 HydrophobicContact CD2-CE2 4.09Å; F234-F242 HydrophobicContact CD2-CZ 4.5Å; F234-F242 AromaticContact CE2-CE2 3.68Å; F234-F242 HydrophobicContact CE2-CE2 3.68Å; F234-F242 AromaticContact CE2-CZ 3.79Å; F234-F242 HydrophobicContact CE2-CZ 3.79Å; F234-F242 HydrophobicContact CZ-CE2 4.33Å; F234-F242 HydrophobicContact CZ-CZ 4.48Å; F238-F242 VanDerWaalsContact C-CD2 3.43Å; F238-F242 HydrophobicContact CB-CD2 4.09Å; F238-F242 HydrophobicContact CB-CE2 3.53Å; F238-F242 HydrophobicContact CB-CZ 4.35Å; F238-F242 WeakPolarHBondContact O-CD2 3.34Å; F238-F242 PolarHBondContact O-N 2.98Å; F238-F242 VanDerWaalsContact O-N 3.12Å; A239-F242 PolarHBondContact O-N 2.87Å; F242-C269 WeakPolarHBondContact CE1-O 3.49Å; F242-V272 HydrophobicContact CE1-CB 4.12Å; F242-V272 HydrophobicContact CZ-CB 4.19Å; F242-V272 HydrophobicContact CZ-CG1 4.12Å
243	G	32.8	Very low	35.8	Very low	37 Å²	37	63.6 Å²	63.6	38%	0.381	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-40.7	144	177.2	0	0	0	0	0	114.4	F241 S245	F241-G243 PolarHBondContact O-N 2.77Å; G243-S245 VanDerWaalsContact C-N 3.29Å; G243-S245 PolarHBondContact O-N 3.09Å
244	D	35.1	Very low	35.3	Very low	125 Å²	125	67.1 Å²	67.1	67%	0.668	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	-18.7	170.2	-58.6	-7.9	0	0	0	120.3	S250	D244-S250 PolarHBondContact OD1-OG 3.08Å
245	S	33.5	Very low	34.9	Very low	114 Å²	114	73.6 Å²	73.6	80%	0.797	43%	0.425	S	S	*	.	S	Bend	trans	-81.7	-14.2	179.1	-70.6	0	0	0	0	115.2	G243	G243-S245 VanDerWaalsContact C-N 3.29Å; G243-S245 PolarHBondContact O-N 3.09Å
246	L	32.4	Very low	34.7	Very low	97 Å²	97	74.3 Å²	74.3	51%	0.508	43%	0.432	S	S	.	.	S	Bend	trans	-126.5	11.2	-178.5	-72.6	170.7	0	0	0	114	F235 F248	F235-L246 HydrophobicContact CD1-CD1 4.38Å; F235-L246 HydrophobicContact CE1-CD1 4.07Å; L246-F248 HydrophobicContact CB-CD2 3.87Å; L246-F248 HydrophobicContact CB-CE2 4Å
247	G	27.3	Very low	34	Very low	73 Å²	73	78.6 Å²	78.6	75%	0.753	46%	0.456	S	S	*	.			trans	74.4	25.7	176.6	0	0	0	0	0	115.7
248	F	33.7	Very low	33.6	Very low	68 Å²	68	77.2 Å²	77.2	30%	0.298	45%	0.452	S	S	.	.			trans	-89.9	141.1	174.9	-74.2	-78.6	0	0	0	111.9	M127 A239 L246 S250	M127-F248 HydrophobicContact CE-CD1 4.08Å; M127-F248 HydrophobicContact CE-CE1 3.76Å; A239-F248 HydrophobicContact CB-CD2 4.39Å; A239-F248 HydrophobicContact CB-CE2 4.14Å; L246-F248 HydrophobicContact CB-CD2 3.87Å; L246-F248 HydrophobicContact CB-CE2 4Å; F248-S250 PolarHBondContact O-N 3.36Å
249	P	30.8	Very low	33.1	Very low	120 Å²	120	80 Å²	80	78%	0.779	47%	0.474	S	S	*	.			trans	-67.9	124.4	178.8	5.9	1.7	0	0	0	111.7	G251	P249-G251 PolarHBondContact O-N 3.23Å
250	S	31.5	Very low	32.9	Very low	96 Å²	96	85.7 Å²	85.7	67%	0.671	50%	0.499	S	S	*	.			trans	-71.2	113	175	7.5	0	0	0	0	110.2	D244 F248	D244-S250 PolarHBondContact OD1-OG 3.08Å; F248-S250 PolarHBondContact O-N 3.36Å
251	G	31.6	Very low	32.9	Very low	51 Å²	51	86.6 Å²	86.6	53%	0.526	50%	0.502	S	S	.	.			trans	162.8	55.4	176.1	0	0	0	0	0	116.2	P249	P249-G251 PolarHBondContact O-N 3.23Å
252	R	33.2	Very low	33	Very low	57 Å²	57	87.8 Å²	87.8	22%	0.215	52%	0.515	C	S	.	.			trans	-122.6	112.4	176	-69.5	-133.8	-76.9	-101.3	28.4	113.3	G126 M127	G126-R252 WeakPolarHBondContact O-CD 3.38Å; G126-R252 PolarHBondContact O-NE 3.16Å; G126-R252 PolarHBondContact O-NH1 3.14Å; G126-R252 VanDerWaalsContact O-NH1 3.12Å; M127-R252 PolarHBondContact SD-NH1 2.87Å; M127-R252 PolarHBondContact SD-NH2 2.92Å
253	H	32.8	Very low	33.1	Very low	140 Å²	140	92.6 Å²	92.6	65%	0.648	54%	0.543	S	S	*	.			trans	-74.9	124.1	159.1	-146	63.4	0	0	0	107.8
254	W	33.2	Very low	33.5	Very low	76 Å²	76	94.4 Å²	94.4	29%	0.288	55%	0.549	S	S	.	.			trans	-100.8	146.5	165.1	-66.3	101.6	0	0	0	106.4	F241 L256 V258	F241-W254 HydrophobicContact CE2-CZ2 4.28Å; F241-W254 AromaticContact CE2-NE1 3.67Å; F241-W254 AromaticContact CZ-CD1 3.92Å; F241-W254 AromaticContact CZ-NE1 3.59Å; W254-L256 PolarHBondContact O-N 3.25Å; W254-V258 HydrophobicContact CB-CG2 3.9Å; W254-V258 WeakPolarHBondContact O-CG2 3.04Å
255	D	31.5	Very low	33.8	Very low	173 Å²	173	88.8 Å²	88.8	93%	0.925	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	32	171.3	-75.6	-41.3	0	0	0	112.7
256	L	33.7	Very low	34.2	Very low	92 Å²	92	89.3 Å²	89.3	48%	0.482	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	150.4	149.9	-78.9	153	0	0	0	104.5	W254 V258	W254-L256 PolarHBondContact O-N 3.25Å; L256-V258 WeakPolarHBondContact O-CG2 3.42Å; L256-V258 PolarHBondContact O-N 3.37Å
257	D	28.1	Very low	35.1	Very low	111 Å²	111	91.1 Å²	91.1	59%	0.594	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	78.7	178.9	-142	-16.7	0	0	0	110.2	T259 Q260	D257-T259 PolarHBondContact O-N 3.32Å; D257-T259 PolarHBondContact OD1-OG1 2.91Å; D257-Q260 PolarHBondContact O-N 2.86Å
258	V	32.6	Very low	36.2	Very low	35 Å²	35	89 Å²	89	21%	0.212	48%	0.48	C	S	.	.	G	3₁₀ helix	trans	-69.1	-10.5	-173.2	-154.7	0	0	0	0	110.2	W254 L256 Q260 I261	W254-V258 HydrophobicContact CB-CG2 3.9Å; W254-V258 WeakPolarHBondContact O-CG2 3.04Å; L256-V258 WeakPolarHBondContact O-CG2 3.42Å; L256-V258 PolarHBondContact O-N 3.37Å; V258-Q260 PolarHBondContact O-N 3.26Å; V258-I261 HydrophobicContact CB-CD1 4.38Å; V258-I261 HydrophobicContact CG1-CB 4.27Å; V258-I261 HydrophobicContact CG1-CD1 3.41Å; V258-I261 VanDerWaalsContact CG1-CD1 3.41Å; V258-I261 HydrophobicContact CG1-CG1 3.88Å; V258-I261 PolarHBondContact O-N 3.46Å
259	T	30.7	Very low	36.8	Very low	105 Å²	105	86.3 Å²	86.3	64%	0.644	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-66.3	-16.6	170.5	67.8	0	0	0	0	112.5	D257	D257-T259 PolarHBondContact O-N 3.32Å; D257-T259 PolarHBondContact OD1-OG1 2.91Å
260	Q	33.1	Very low	37.6	Very low	122 Å²	122	85 Å²	85	57%	0.57	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-96.5	-0.7	172.7	-67.8	-171.9	-1.1	0	0	114.3	D257 V258 S262	D257-Q260 PolarHBondContact O-N 2.86Å; V258-Q260 PolarHBondContact O-N 3.26Å; Q260-S262 VanDerWaalsContact C-N 3.26Å; Q260-S262 PolarHBondContact O-N 3.21Å
261	I	38.5	Very low	38.9	Very low	46 Å²	46	88 Å²	88	24%	0.236	46%	0.46	C	S	.	.			trans	-72.1	90.7	173.1	-64.1	-167.6	0	0	0	107.9	V258 F265	V258-I261 HydrophobicContact CB-CD1 4.38Å; V258-I261 HydrophobicContact CG1-CB 4.27Å; V258-I261 HydrophobicContact CG1-CD1 3.41Å; V258-I261 VanDerWaalsContact CG1-CD1 3.41Å; V258-I261 HydrophobicContact CG1-CG1 3.88Å; V258-I261 PolarHBondContact O-N 3.46Å; I261-F265 HydrophobicContact CD1-CD1 4.33Å; I261-F265 HydrophobicContact CD1-CE1 4.25Å; I261-F265 HydrophobicContact CG2-CB 3.43Å; I261-F265 VanDerWaalsContact CG2-CB 3.43Å; I261-F265 HydrophobicContact CG2-CD1 3.28Å; I261-F265 HydrophobicContact CG2-CE1 4.16Å; I261-F265 HydrophobicContact CG2-CG 3.52Å
262	S	39.9	Very low	40.1	Very low	63 Å²	63	86.9 Å²	86.9	44%	0.441	44%	0.443	S	S	.	.			trans	-57.3	154.8	177.8	62.2	0	0	0	0	111.4	Q260 C264 F265	Q260-S262 VanDerWaalsContact C-N 3.26Å; Q260-S262 PolarHBondContact O-N 3.21Å; S262-C264 PolarHBondContact O-N 3.37Å; S262-C264 WeakPolarHBondContact OG-CB 3.49Å; S262-F265 WeakPolarHBondContact O-CB 3.31Å; S262-F265 PolarHBondContact O-N 3.4Å
263	D	40.1	Very low	41.6	Very low	143 Å²	143	87.3 Å²	87.3	77%	0.765	45%	0.452	S	S	*	.	H	α-helix	trans	-49	-29	171	-68.8	-34.1	0	0	0	112.2	F265 W266 E267	D263-F265 VanDerWaalsContact C-N 3.31Å; D263-F265 PolarHBondContact O-N 3.05Å; D263-W266 PolarHBondContact O-N 3.39Å; D263-E267 PolarHBondContact O-N 3.17Å
264	C	40.5	Very low	42.6	Very low	75 Å²	75	85.2 Å²	85.2	51%	0.507	44%	0.441	S	S	.	.	H	α-helix	trans	-59.5	-35.6	174	-54.1	0	0	0	0	113.3	S262 W266 E267 I268	S262-C264 PolarHBondContact O-N 3.37Å; S262-C264 WeakPolarHBondContact OG-CB 3.49Å; C264-W266 VanDerWaalsContact C-N 3.33Å; C264-W266 PolarHBondContact O-N 3.46Å; C264-E267 PolarHBondContact O-N 3.46Å; C264-I268 WeakPolarHBondContact O-CD1 3.39Å; C264-I268 VanDerWaalsContact O-CG1 3.22Å; C264-I268 WeakPolarHBondContact O-CG1 3.36Å; C264-I268 PolarHBondContact O-N 3.32Å
265	F	41.9	Very low	44.2	Very low	8 Å²	8	88.8 Å²	88.8	4%	0.035	46%	0.461	C	S	.	.	H	α-helix	trans	-66.1	-35.9	179.3	-173.9	-97.5	0	0	0	112.2	F241 I261 S262 D263 I268 C269 I328 A331 M332	F241-F265 HydrophobicContact CD1-CE1 4.08Å; F241-F265 HydrophobicContact CE1-CE1 4.29Å; I261-F265 HydrophobicContact CD1-CD1 4.33Å; I261-F265 HydrophobicContact CD1-CE1 4.25Å; I261-F265 HydrophobicContact CG2-CB 3.43Å; I261-F265 VanDerWaalsContact CG2-CB 3.43Å; I261-F265 HydrophobicContact CG2-CD1 3.28Å; I261-F265 HydrophobicContact CG2-CE1 4.16Å; I261-F265 HydrophobicContact CG2-CG 3.52Å; S262-F265 WeakPolarHBondContact O-CB 3.31Å; S262-F265 PolarHBondContact O-N 3.4Å; D263-F265 VanDerWaalsContact C-N 3.31Å; D263-F265 PolarHBondContact O-N 3.05Å; F265-I268 PolarHBondContact O-N 3.42Å; F265-C269 WeakPolarHBondContact CE1-SG 3.44Å; F265-C269 WeakPolarHBondContact O-CB 3.47Å; F265-C269 PolarHBondContact O-N 2.93Å; F265-C269 PolarHBondContact O-SG 2.67Å; F265-I328 HydrophobicContact CE2-CG2 4.19Å; F265-I328 HydrophobicContact CZ-CG2 4.47Å; F265-A331 HydrophobicContact CD2-CB 3.81Å; F265-A331 HydrophobicContact CE2-CB 4.3Å; F265-M332 HydrophobicContact CE2-CG 3.69Å; F265-M332 HydrophobicContact CE2-SD 4.38Å; F265-M332 HydrophobicContact CZ-CG 4.07Å; F265-M332 HydrophobicContact CZ-SD 4.27Å
266	W	41.4	Very low	45.8	Very low	124 Å²	124	81.8 Å²	81.8	47%	0.47	42%	0.423	S	S	.	.	H	α-helix	trans	-67.7	-40.5	175.6	-65.4	112.8	0	0	0	111.8	F241 D263 C264 I268 C269 S270	F241-W266 VanDerWaalsContact O-CZ3 3.31Å; F241-W266 WeakPolarHBondContact O-CZ3 3.38Å; D263-W266 PolarHBondContact O-N 3.39Å; C264-W266 VanDerWaalsContact C-N 3.33Å; C264-W266 PolarHBondContact O-N 3.46Å; W266-I268 VanDerWaalsContact C-N 3.34Å; W266-I268 PolarHBondContact O-N 2.96Å; W266-C269 PolarHBondContact O-N 3.35Å; W266-S270 WeakPolarHBondContact O-CB 3.28Å; W266-S270 PolarHBondContact O-N 3.5Å
267	E	51.5	Low	46.9	Very low	135 Å²	135	77.8 Å²	77.8	63%	0.631	40%	0.403	S	S	*	.	H	α-helix	trans	-62.1	-42.7	175.5	-167	176.4	-177.8	0	0	111.3	D263 C264 S270	D263-E267 PolarHBondContact O-N 3.17Å; C264-E267 PolarHBondContact O-N 3.46Å; E267-S270 PolarHBondContact O-N 3.45Å; E267-S270 PolarHBondContact O-OG 3.29Å
268	I	51	Low	48.5	Very low	30 Å²	30	74.2 Å²	74.2	15%	0.154	38%	0.383	C	S	.	.	H	α-helix	trans	-64.3	-46.8	175.6	-62.5	161.7	0	0	0	110.8	C264 F265 W266 S270 R271 E327 I328	C264-I268 WeakPolarHBondContact O-CD1 3.39Å; C264-I268 VanDerWaalsContact O-CG1 3.22Å; C264-I268 WeakPolarHBondContact O-CG1 3.36Å; C264-I268 PolarHBondContact O-N 3.32Å; F265-I268 PolarHBondContact O-N 3.42Å; W266-I268 VanDerWaalsContact C-N 3.34Å; W266-I268 PolarHBondContact O-N 2.96Å; I268-S270 VanDerWaalsContact C-N 3.28Å; I268-S270 PolarHBondContact O-N 3.03Å; I268-R271 PolarHBondContact O-N 3.46Å; I268-R271 VanDerWaalsContact O-N 3.14Å; I268-E327 HydrophobicContact CG2-CB 4.09Å; I268-I328 HydrophobicContact CG2-CD1 4.19Å; I268-I328 HydrophobicContact CG2-CG1 3.49Å; I268-I328 VanDerWaalsContact CG2-CG1 3.49Å
269	C	45.7	Very low	50.3	Low	10 Å²	10	73.8 Å²	73.8	7%	0.068	38%	0.383	C	S	.	.	H	α-helix	trans	-62.9	-33.2	179.9	-71.9	0	0	0	0	112.7	F242 F265 W266 R271 V272	F242-C269 WeakPolarHBondContact CE1-O 3.49Å; F265-C269 WeakPolarHBondContact CE1-SG 3.44Å; F265-C269 WeakPolarHBondContact O-CB 3.47Å; F265-C269 PolarHBondContact O-N 2.93Å; F265-C269 PolarHBondContact O-SG 2.67Å; W266-C269 PolarHBondContact O-N 3.35Å; C269-R271 PolarHBondContact O-N 2.92Å; C269-R271 VanDerWaalsContact O-N 3.16Å; C269-V272 WeakPolarHBondContact O-CB 3.46Å; C269-V272 WeakPolarHBondContact O-CG2 3.39Å; C269-V272 PolarHBondContact O-N 3.08Å
270	S	47.8	Very low	52.3	Low	94 Å²	94	69.9 Å²	69.9	66%	0.657	36%	0.357	S	S	*	.	H	α-helix	trans	-62.9	-19.8	177.9	77.8	0	0	0	0	113.8	W266 E267 I268	W266-S270 WeakPolarHBondContact O-CB 3.28Å; W266-S270 PolarHBondContact O-N 3.5Å; E267-S270 PolarHBondContact O-N 3.45Å; E267-S270 PolarHBondContact O-OG 3.29Å; I268-S270 VanDerWaalsContact C-N 3.28Å; I268-S270 PolarHBondContact O-N 3.03Å
271	R	58.4	Low	53.8	Low	159 Å²	159	64.5 Å²	64.5	60%	0.6	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-4.2	-177.5	-63	169.2	63.3	-159.4	-4.1	113.4	I268 C269 T273	I268-R271 PolarHBondContact O-N 3.46Å; I268-R271 VanDerWaalsContact O-N 3.14Å; C269-R271 PolarHBondContact O-N 2.92Å; C269-R271 VanDerWaalsContact O-N 3.16Å; R271-T273 PolarHBondContact O-N 3.36Å
272	V	57.7	Low	55.5	Low	26 Å²	26	63.9 Å²	63.9	16%	0.158	33%	0.329	C	S	.	.			trans	-67.6	123	-175.2	177.1	0	0	0	0	111.1	F234 F242 C269 D276 V277 I328	F234-V272 HydrophobicContact CE2-CG1 4.47Å; F242-V272 HydrophobicContact CE1-CB 4.12Å; F242-V272 HydrophobicContact CZ-CB 4.19Å; F242-V272 HydrophobicContact CZ-CG1 4.12Å; C269-V272 WeakPolarHBondContact O-CB 3.46Å; C269-V272 WeakPolarHBondContact O-CG2 3.39Å; C269-V272 PolarHBondContact O-N 3.08Å; V272-D276 HydrophobicContact CG1-CB 4.22Å; V272-V277 HydrophobicContact CG1-CG2 3.46Å; V272-V277 VanDerWaalsContact CG1-CG2 3.46Å; V272-I328 HydrophobicContact CG2-CD1 3.42Å; V272-I328 VanDerWaalsContact CG2-CD1 3.42Å
273	T	63.4	Low	57.4	Low	66 Å²	66	61 Å²	61	41%	0.405	31%	0.308	S	S	.	.			trans	-96.9	165.7	175.2	75.2	0	0	0	0	111.9	R271 Q275 D276 V277	R271-T273 PolarHBondContact O-N 3.36Å; T273-Q275 PolarHBondContact O-N 3.37Å; T273-Q275 PolarHBondContact OG1-N 3.42Å; T273-D276 WeakPolarHBondContact CA-OD2 3.25Å; T273-D276 VanDerWaalsContact CB-OD2 3.29Å; T273-D276 WeakPolarHBondContact CB-OD2 3.08Å; T273-D276 PolarHBondContact N-OD2 3.49Å; T273-D276 WeakPolarHBondContact O-CB 3.5Å; T273-D276 PolarHBondContact O-N 2.74Å; T273-D276 VanDerWaalsContact OG1-CG 3.25Å; T273-D276 PolarHBondContact OG1-N 3.44Å; T273-D276 PolarHBondContact OG1-OD2 2.85Å; T273-V277 WeakPolarHBondContact O-CG2 3.29Å; T273-V277 PolarHBondContact O-N 3.12Å
274	F	54.7	Low	59	Low	96 Å²	96	54.5 Å²	54.5	42%	0.421	27%	0.274	S	S	.	.	H	α-helix	trans	-58.6	-31.3	173	-179.8	-98.4	0	0	0	112.8	N230 F234 V277 E278	N230-F274 HydrophobicContact CB-CE2 4.02Å; N230-F274 HydrophobicContact CB-CZ 3.83Å; F234-F274 HydrophobicContact CD1-CD2 4.46Å; F274-V277 PolarHBondContact O-N 2.65Å; F274-E278 PolarHBondContact O-N 3.22Å
275	Q	66.3	Low	60.4	Low	152 Å²	152	54.1 Å²	54.1	71%	0.71	27%	0.272	S	S	*	.	H	α-helix	trans	-69.1	-38.9	178.4	-66.1	-178.6	-3.8	0	0	111.6	T273 V277 E278 A279	T273-Q275 PolarHBondContact O-N 3.37Å; T273-Q275 PolarHBondContact OG1-N 3.42Å; Q275-V277 VanDerWaalsContact C-N 3.28Å; Q275-V277 PolarHBondContact O-N 3.1Å; Q275-E278 PolarHBondContact O-N 3.2Å; Q275-A279 WeakPolarHBondContact O-CB 3.24Å; Q275-A279 PolarHBondContact O-N 3.27Å
276	D	65.3	Low	62.2	Low	25 Å²	25	59.1 Å²	59.1	13%	0.134	29%	0.291	C	S	.	.	H	α-helix	trans	-62.1	-41.1	176.2	-58.5	-47.5	0	0	0	110.7	V272 T273 A279 F280 S322 V325	V272-D276 HydrophobicContact CG1-CB 4.22Å; T273-D276 WeakPolarHBondContact CA-OD2 3.25Å; T273-D276 VanDerWaalsContact CB-OD2 3.29Å; T273-D276 WeakPolarHBondContact CB-OD2 3.08Å; T273-D276 PolarHBondContact N-OD2 3.49Å; T273-D276 WeakPolarHBondContact O-CB 3.5Å; T273-D276 PolarHBondContact O-N 2.74Å; T273-D276 VanDerWaalsContact OG1-CG 3.25Å; T273-D276 PolarHBondContact OG1-N 3.44Å; T273-D276 PolarHBondContact OG1-OD2 2.85Å; D276-A279 WeakPolarHBondContact O-CB 3.33Å; D276-A279 PolarHBondContact O-N 2.98Å; D276-F280 PolarHBondContact O-N 2.88Å; D276-S322 VanDerWaalsContact OD1-CB 3.3Å; D276-S322 WeakPolarHBondContact OD1-CB 3.31Å; D276-S322 PolarHBondContact OD1-OG 2.78Å; D276-V325 HydrophobicContact CB-CG2 3.92Å; D276-V325 WeakPolarHBondContact O-CG2 3.28Å
277	V	56.5	Low	64.2	Low	9 Å²	9	53.4 Å²	53.4	6%	0.055	27%	0.269	C	S	.	.	H	α-helix	trans	-71	-40.4	179.4	178.8	0	0	0	0	111.7	F234 V272 T273 F274 Q275 A279 F280 F281	F234-V277 HydrophobicContact CB-CG1 3.81Å; F234-V277 HydrophobicContact CD2-CB 3.71Å; F234-V277 HydrophobicContact CD2-CG1 3.6Å; F234-V277 HydrophobicContact CD2-CG2 3.22Å; F234-V277 HydrophobicContact CE2-CB 4.2Å; F234-V277 HydrophobicContact CE2-CG2 3.33Å; F234-V277 HydrophobicContact CG-CB 4.42Å; F234-V277 HydrophobicContact CG-CG1 4.07Å; F234-V277 HydrophobicContact CG-CG2 4.33Å; V272-V277 HydrophobicContact CG1-CG2 3.46Å; V272-V277 VanDerWaalsContact CG1-CG2 3.46Å; T273-V277 WeakPolarHBondContact O-CG2 3.29Å; T273-V277 PolarHBondContact O-N 3.12Å; F274-V277 PolarHBondContact O-N 2.65Å; Q275-V277 VanDerWaalsContact C-N 3.28Å; Q275-V277 PolarHBondContact O-N 3.1Å; V277-A279 VanDerWaalsContact C-N 3.26Å; V277-A279 PolarHBondContact O-N 3.1Å; V277-F280 PolarHBondContact O-N 3.37Å; V277-F281 HydrophobicContact CG1-CD2 3.67Å; V277-F281 HydrophobicContact CG1-CE2 3.32Å; V277-F281 HydrophobicContact CG1-CZ 4.49Å; V277-F281 WeakPolarHBondContact O-CD2 3.47Å; V277-F281 PolarHBondContact O-N 3.23Å
278	E	61.1	Low	65.8	Low	35 Å²	35	52.2 Å²	52.2	16%	0.164	27%	0.267	C	S	.	.	H	α-helix	trans	-57.8	-41.7	170.4	174.8	175.3	-101.3	0	0	111.3	R226 N230 F274 Q275 F281 L282 R319	R226-E278 IonicContact CZ-OE1 2.83Å; R226-E278 IonicContact CZ-OE2 2.84Å; R226-E278 IonicContact NE-OE1 3.01Å; R226-E278 PolarHBondContact NE-OE1 3.08Å; R226-E278 IonicContact NH1-OE1 3.17Å; R226-E278 PolarHBondContact NH1-OE1 3Å; R226-E278 IonicContact NH1-OE2 3.1Å; R226-E278 PolarHBondContact NH1-OE2 2.93Å; R226-E278 IonicContact NH2-OE1 3.97Å; R226-E278 IonicContact NH2-OE2 2.93Å; R226-E278 PolarHBondContact NH2-OE2 3.21Å; R226-E278 VanDerWaalsContact NH2-OE2 3.09Å; N230-E278 WeakPolarHBondContact ND2-CG 3.47Å; N230-E278 PolarHBondContact ND2-OE1 3.32Å; N230-E278 VanDerWaalsContact ND2-OE1 3.14Å; F274-E278 PolarHBondContact O-N 3.22Å; Q275-E278 PolarHBondContact O-N 3.2Å; E278-F281 PolarHBondContact O-N 2.94Å; E278-L282 WeakPolarHBondContact O-CB 3.22Å; E278-L282 PolarHBondContact O-N 3.15Å; E278-R319 IonicContact OE2-CZ 2.68Å; E278-R319 IonicContact OE2-NH1 2.71Å; E278-R319 PolarHBondContact OE2-NH1 3.49Å
279	A	71.4	Confident	67.6	Low	27 Å²	27	54.5 Å²	54.5	22%	0.223	28%	0.279	C	S	.	.	H	α-helix	trans	-64.5	-42.2	177.2	0	0	0	0	0	111.6	Q275 D276 V277 F281 L282 L283	Q275-A279 WeakPolarHBondContact O-CB 3.24Å; Q275-A279 PolarHBondContact O-N 3.27Å; D276-A279 WeakPolarHBondContact O-CB 3.33Å; D276-A279 PolarHBondContact O-N 2.98Å; V277-A279 VanDerWaalsContact C-N 3.26Å; V277-A279 PolarHBondContact O-N 3.1Å; A279-F281 PolarHBondContact O-N 3.07Å; A279-L282 WeakPolarHBondContact O-CB 3.28Å; A279-L282 PolarHBondContact O-N 3.06Å; A279-L283 PolarHBondContact O-N 3.23Å
280	F	71.5	Confident	69.7	Low	23 Å²	23	54 Å²	54	10%	0.101	28%	0.276	C	S	.	.	H	α-helix	trans	-61.5	-41.2	174.5	179.6	-105.3	0	0	0	112.6	F238 D276 V277 L283 L284 V325 L329 M350	F238-F280 HydrophobicContact CE2-CD1 4.26Å; F238-F280 AromaticContact CE2-CE1 3.88Å; F238-F280 HydrophobicContact CE2-CE1 3.88Å; F238-F280 HydrophobicContact CZ-CD1 4.4Å; F238-F280 AromaticContact CZ-CE1 3.79Å; F238-F280 HydrophobicContact CZ-CE1 3.79Å; F238-F280 HydrophobicContact CZ-CZ 4.27Å; D276-F280 PolarHBondContact O-N 2.88Å; V277-F280 PolarHBondContact O-N 3.37Å; F280-L283 WeakPolarHBondContact O-CB 3.49Å; F280-L283 PolarHBondContact O-N 3.39Å; F280-L284 HydrophobicContact CD1-CD1 3.91Å; F280-L284 HydrophobicContact CE1-CD1 3.35Å; F280-L284 HydrophobicContact CE1-CG 4.09Å; F280-L284 HydrophobicContact CZ-CD1 3.8Å; F280-L284 HydrophobicContact CZ-CG 4.14Å; F280-L284 PolarHBondContact O-N 3.37Å; F280-V325 HydrophobicContact CB-CG1 4.11Å; F280-V325 HydrophobicContact CB-CG2 4.22Å; F280-V325 HydrophobicContact CD2-CG1 3.83Å; F280-V325 HydrophobicContact CG-CG1 4.45Å; F280-L329 HydrophobicContact CE2-CD2 4Å; F280-M350 HydrophobicContact CE2-CE 3.68Å; F280-M350 HydrophobicContact CE2-SD 4.11Å; F280-M350 HydrophobicContact CZ-CE 4.05Å; F280-M350 HydrophobicContact CZ-SD 4.07Å
281	F	64.8	Low	71.7	Confident	8 Å²	8	51.6 Å²	51.6	4%	0.035	26%	0.255	C	S	.	.	H	α-helix	trans	-70.6	-34.2	175.7	-78.1	-57.2	0	0	0	113.9	F229 V233 F238 V277 E278 A279 L283 L284 S285	F229-F281 HydrophobicContact CD1-CB 4.19Å; F229-F281 HydrophobicContact CD1-CD1 4.13Å; F229-F281 HydrophobicContact CD1-CG 4.07Å; F229-F281 HydrophobicContact CE1-CB 3.88Å; F229-F281 AromaticContact CE1-CD1 3.45Å; F229-F281 HydrophobicContact CE1-CD1 3.45Å; F229-F281 VanDerWaalsContact CE1-CD1 3.45Å; F229-F281 HydrophobicContact CE1-CE1 4.41Å; F229-F281 AromaticContact CE1-CG 3.77Å; F229-F281 HydrophobicContact CE1-CG 3.77Å; F229-F281 HydrophobicContact CZ-CD1 4.34Å; V233-F281 HydrophobicContact CB-CD1 4.2Å; V233-F281 HydrophobicContact CB-CD2 4.2Å; V233-F281 HydrophobicContact CB-CE1 3.46Å; V233-F281 VanDerWaalsContact CB-CE1 3.46Å; V233-F281 HydrophobicContact CB-CE2 3.41Å; V233-F281 VanDerWaalsContact CB-CE2 3.41Å; V233-F281 HydrophobicContact CB-CZ 3.08Å; V233-F281 HydrophobicContact CG1-CD1 4.36Å; V233-F281 HydrophobicContact CG1-CE1 3.25Å; V233-F281 HydrophobicContact CG1-CE2 3.84Å; V233-F281 HydrophobicContact CG1-CZ 2.97Å; V233-F281 HydrophobicContact CG2-CD1 3.97Å; V233-F281 HydrophobicContact CG2-CD2 4.48Å; V233-F281 HydrophobicContact CG2-CE1 3.61Å; V233-F281 HydrophobicContact CG2-CE2 4.12Å; V233-F281 HydrophobicContact CG2-CG 4.46Å; V233-F281 HydrophobicContact CG2-CZ 3.79Å; F238-F281 HydrophobicContact CE2-CZ 4.14Å; V277-F281 HydrophobicContact CG1-CD2 3.67Å; V277-F281 HydrophobicContact CG1-CE2 3.32Å; V277-F281 HydrophobicContact CG1-CZ 4.49Å; V277-F281 WeakPolarHBondContact O-CD2 3.47Å; V277-F281 PolarHBondContact O-N 3.23Å; E278-F281 PolarHBondContact O-N 2.94Å; A279-F281 PolarHBondContact O-N 3.07Å; F281-L283 VanDerWaalsContact C-N 3.29Å; F281-L284 HydrophobicContact CD1-CD1 3.8Å; F281-L284 HydrophobicContact CE1-CD1 3.6Å; F281-L284 PolarHBondContact O-N 2.68Å; F281-S285 WeakPolarHBondContact O-CB 3.48Å; F281-S285 PolarHBondContact O-N 3.4Å
282	L	75.2	Confident	73.1	Confident	34 Å²	34	47.7 Å²	47.7	18%	0.178	25%	0.249	C	C	.	.	H	α-helix	trans	-60.8	-43.4	170.9	-177.4	61.2	0	0	0	110.4	E278 A279 S285 R286 T317 R319	E278-L282 WeakPolarHBondContact O-CB 3.22Å; E278-L282 PolarHBondContact O-N 3.15Å; A279-L282 WeakPolarHBondContact O-CB 3.28Å; A279-L282 PolarHBondContact O-N 3.06Å; L282-S285 PolarHBondContact O-N 3.18Å; L282-S285 PolarHBondContact O-OG 2.95Å; L282-R286 PolarHBondContact O-N 2.91Å; L282-T317 HydrophobicContact CD2-CG2 4.37Å; L282-T317 HydrophobicContact CG-CG2 4.06Å; L282-R319 HydrophobicContact CD2-CG 4.17Å
283	L	79.7	Confident	74.7	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-59.5	-49.9	173.9	-177.8	63.2	0	0	0	111.9	A279 F280 F281 S285 R286 M287 V290 I313 T317 L329 M350	A279-L283 PolarHBondContact O-N 3.23Å; F280-L283 WeakPolarHBondContact O-CB 3.49Å; F280-L283 PolarHBondContact O-N 3.39Å; F281-L283 VanDerWaalsContact C-N 3.29Å; L283-S285 PolarHBondContact O-N 3.3Å; L283-R286 CarbonylContact O-C 3.45Å; L283-R286 PolarHBondContact O-N 2.81Å; L283-M287 PolarHBondContact O-N 3.3Å; L283-V290 HydrophobicContact CD1-CG2 3.45Å; L283-V290 VanDerWaalsContact CD1-CG2 3.45Å; L283-I313 HydrophobicContact CD1-CB 4.48Å; L283-I313 HydrophobicContact CD1-CG1 3.75Å; L283-I313 HydrophobicContact CD1-CG2 4.43Å; L283-I313 HydrophobicContact CD2-CD1 4.05Å; L283-I313 HydrophobicContact CD2-CG1 4.14Å; L283-T317 HydrophobicContact CD1-CG2 4.39Å; L283-L329 HydrophobicContact CD2-CD1 3.99Å; L283-M350 HydrophobicContact CD2-CE 4.34Å
284	L	72.5	Confident	75.9	Confident	8 Å²	8	44.7 Å²	44.7	4%	0.042	23%	0.233	C	C	.	.	H	α-helix	trans	-58.1	-36.7	177.5	-81	174.9	0	0	0	112.7	F280 F281 R286 M287 M350 N353 V354	F280-L284 HydrophobicContact CD1-CD1 3.91Å; F280-L284 HydrophobicContact CE1-CD1 3.35Å; F280-L284 HydrophobicContact CE1-CG 4.09Å; F280-L284 HydrophobicContact CZ-CD1 3.8Å; F280-L284 HydrophobicContact CZ-CG 4.14Å; F280-L284 PolarHBondContact O-N 3.37Å; F281-L284 HydrophobicContact CD1-CD1 3.8Å; F281-L284 HydrophobicContact CE1-CD1 3.6Å; F281-L284 PolarHBondContact O-N 2.68Å; L284-R286 PolarHBondContact O-N 2.87Å; L284-M287 HydrophobicContact CD2-CG 4.16Å; L284-M287 HydrophobicContact CD2-SD 4.47Å; L284-M287 VanDerWaalsContact O-CG 3.27Å; L284-M287 WeakPolarHBondContact O-CG 3.49Å; L284-M287 PolarHBondContact O-N 3.46Å; L284-M350 HydrophobicContact CD2-CB 4.26Å; L284-M350 HydrophobicContact CD2-CE 3.42Å; L284-M350 VanDerWaalsContact CD2-CE 3.42Å; L284-M350 HydrophobicContact CD2-SD 3.74Å; L284-M350 HydrophobicContact CG-CE 3.96Å; L284-N353 HydrophobicContact CD2-CB 4.35Å; L284-V354 HydrophobicContact CD2-CG2 4.45Å; L284-V354 WeakPolarHBondContact O-CG2 3.2Å
285	S	71	Confident	77.5	Confident	67 Å²	67	47.9 Å²	47.9	47%	0.469	24%	0.242	S	C	.	.	H	α-helix	trans	-67.8	-16.9	178.3	76.8	0	0	0	0	113.8	F281 L282 L283	F281-S285 WeakPolarHBondContact O-CB 3.48Å; F281-S285 PolarHBondContact O-N 3.4Å; L282-S285 PolarHBondContact O-N 3.18Å; L282-S285 PolarHBondContact O-OG 2.95Å; L283-S285 PolarHBondContact O-N 3.3Å
286	R	80.5	Confident	78.5	Confident	113 Å²	113	45.9 Å²	45.9	43%	0.426	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	19.9	-177.9	-62.6	-65	-172.5	176	0.4	113	L282 L283 L284 D288 D289 V290 V316	L282-R286 PolarHBondContact O-N 2.91Å; L283-R286 CarbonylContact O-C 3.45Å; L283-R286 PolarHBondContact O-N 2.81Å; L284-R286 PolarHBondContact O-N 2.87Å; R286-D288 PolarHBondContact O-N 3.42Å; R286-D288 VanDerWaalsContact O-N 3.15Å; R286-D289 IonicContact NH1-OD2 2.87Å; R286-D289 WeakPolarHBondContact O-CB 3.41Å; R286-D289 PolarHBondContact O-N 2.84Å; R286-V290 WeakPolarHBondContact O-CG2 3.34Å; R286-V290 PolarHBondContact O-N 3.15Å; R286-V316 HydrophobicContact CB-CG1 3.45Å; R286-V316 VanDerWaalsContact CB-CG1 3.45Å; R286-V316 HydrophobicContact CG-CG1 4.1Å
287	M	83.2	Confident	79.4	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.02	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-29.9	-172.9	-77.9	-60	-50.8	0	0	114.9	L283 L284 D289 V290 E291 F346 I347 M350 V354	L283-M287 PolarHBondContact O-N 3.3Å; L284-M287 HydrophobicContact CD2-CG 4.16Å; L284-M287 HydrophobicContact CD2-SD 4.47Å; L284-M287 VanDerWaalsContact O-CG 3.27Å; L284-M287 WeakPolarHBondContact O-CG 3.49Å; L284-M287 PolarHBondContact O-N 3.46Å; M287-D289 VanDerWaalsContact C-N 3.34Å; M287-V290 HydrophobicContact CE-CG1 4.45Å; M287-V290 PolarHBondContact O-N 2.83Å; M287-V290 HydrophobicContact SD-CB 4.42Å; M287-E291 WeakPolarHBondContact O-CB 3.47Å; M287-E291 PolarHBondContact O-N 3.25Å; M287-F346 HydrophobicContact CE-CE1 4.09Å; M287-F346 HydrophobicContact CE-CZ 4.39Å; M287-I347 HydrophobicContact CE-CD1 3.94Å; M287-M350 HydrophobicContact CE-CB 3.36Å; M287-M350 HydrophobicContact CE-CG 4.17Å; M287-M350 HydrophobicContact CG-CB 4.4Å; M287-M350 HydrophobicContact SD-CB 3.8Å; M287-M350 HydrophobicContact SD-CE 3.89Å; M287-M350 HydrophobicContact SD-CG 4.41Å; M287-V354 HydrophobicContact CB-CG2 3.93Å; M287-V354 HydrophobicContact CG-CG2 3.77Å
288	D	84.6	Confident	80.7	Confident	110 Å²	110	52.5 Å²	52.5	59%	0.588	26%	0.26	S	S	*	.	H	α-helix	trans	-66.6	-38.3	176	-63.7	-35.5	0	0	0	111.3	R286 T292	R286-D288 PolarHBondContact O-N 3.42Å; R286-D288 VanDerWaalsContact O-N 3.15Å; D288-T292 WeakPolarHBondContact O-CB 3.3Å; D288-T292 PolarHBondContact O-N 3.01Å; D288-T292 VanDerWaalsContact O-N 3.11Å; D288-T292 PolarHBondContact O-OG1 3.47Å
289	D	88.8	Confident	81.9	Confident	77 Å²	77	57.3 Å²	57.3	41%	0.412	29%	0.286	S	S	.	.	H	α-helix	trans	-71.2	-40.4	174.8	-61	-38.2	0	0	0	110.9	R286 M287 T292 A293 V316	R286-D289 IonicContact NH1-OD2 2.87Å; R286-D289 WeakPolarHBondContact O-CB 3.41Å; R286-D289 PolarHBondContact O-N 2.84Å; M287-D289 VanDerWaalsContact C-N 3.34Å; D289-T292 PolarHBondContact O-N 3.38Å; D289-A293 WeakPolarHBondContact O-CB 3.49Å; D289-A293 PolarHBondContact O-N 2.89Å; D289-V316 HydrophobicContact CB-CG1 3.6Å; D289-V316 HydrophobicContact CB-CG2 4.27Å
290	V	89.1	Confident	82.4	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.3	-47	175.8	177.4	0	0	0	0	111.3	L283 R286 M287 T292 A293 L294 V312 V316 F346	L283-V290 HydrophobicContact CD1-CG2 3.45Å; L283-V290 VanDerWaalsContact CD1-CG2 3.45Å; R286-V290 WeakPolarHBondContact O-CG2 3.34Å; R286-V290 PolarHBondContact O-N 3.15Å; M287-V290 HydrophobicContact CE-CG1 4.45Å; M287-V290 PolarHBondContact O-N 2.83Å; M287-V290 HydrophobicContact SD-CB 4.42Å; V290-T292 VanDerWaalsContact C-N 3.31Å; V290-T292 PolarHBondContact O-N 3.48Å; V290-A293 PolarHBondContact O-N 3.32Å; V290-L294 HydrophobicContact CG1-CD1 3.8Å; V290-L294 HydrophobicContact CG1-CG 4.24Å; V290-L294 WeakPolarHBondContact O-CB 3.45Å; V290-L294 WeakPolarHBondContact O-CG 3.33Å; V290-L294 PolarHBondContact O-N 3.32Å; V290-V312 HydrophobicContact CG1-CG1 4.27Å; V290-V316 HydrophobicContact CG2-CB 4.37Å; V290-V316 HydrophobicContact CG2-CG1 3.91Å; V290-V316 HydrophobicContact CG2-CG2 4.47Å; V290-F346 HydrophobicContact CG1-CE1 4.4Å
291	E	89.4	Confident	82.4	Confident	44 Å²	44	67.2 Å²	67.2	21%	0.206	34%	0.34	C	S	.	.	H	α-helix	trans	-59.8	-45.2	176.8	-177.7	-167.1	-135.8	0	0	110.4	M287 A293 L294 R295 I347 K351	M287-E291 WeakPolarHBondContact O-CB 3.47Å; M287-E291 PolarHBondContact O-N 3.25Å; E291-A293 PolarHBondContact O-N 3.47Å; E291-L294 PolarHBondContact O-N 2.9Å; E291-R295 WeakPolarHBondContact O-CB 3.32Å; E291-R295 PolarHBondContact O-N 3.44Å; E291-I347 HydrophobicContact CB-CD1 3.92Å; E291-I347 HydrophobicContact CG-CD1 4.1Å; E291-I347 HydrophobicContact CG-CG1 4.4Å; E291-I347 HydrophobicContact CG-CG2 4.07Å; E291-K351 VanDerWaalsContact CD-CE 3.49Å; E291-K351 WeakPolarHBondContact OE1-CE 3.3Å; E291-K351 IonicContact OE1-NZ 2.77Å; E291-K351 PolarHBondContact OE1-NZ 3.14Å; E291-K351 VanDerWaalsContact OE2-CE 3.29Å; E291-K351 WeakPolarHBondContact OE2-CE 3.28Å; E291-K351 IonicContact OE2-NZ 2.56Å; E291-K351 PolarHBondContact OE2-NZ 2.98Å
292	T	89.6	Confident	82.9	Confident	77 Å²	77	69.4 Å²	69.4	47%	0.472	36%	0.356	S	S	.	.	H	α-helix	trans	-59.5	-47	177.9	-58.1	0	0	0	0	111	D288 D289 V290 R295 I296	D288-T292 WeakPolarHBondContact O-CB 3.3Å; D288-T292 PolarHBondContact O-N 3.01Å; D288-T292 VanDerWaalsContact O-N 3.11Å; D288-T292 PolarHBondContact O-OG1 3.47Å; D289-T292 PolarHBondContact O-N 3.38Å; V290-T292 VanDerWaalsContact C-N 3.31Å; V290-T292 PolarHBondContact O-N 3.48Å; T292-R295 PolarHBondContact O-N 2.84Å; T292-I296 HydrophobicContact CG2-CD1 4.14Å; T292-I296 VanDerWaalsContact O-CG1 3.29Å; T292-I296 WeakPolarHBondContact O-CG1 3.4Å; T292-I296 PolarHBondContact O-N 3.45Å
293	A	90.1	Very high	83.3	Confident	29 Å²	29	71.8 Å²	71.8	24%	0.24	38%	0.375	C	S	.	.	H	α-helix	trans	-64	-45.1	178.8	0	0	0	0	0	112.7	D289 V290 E291 R295 I296 H297 V312 V316	D289-A293 WeakPolarHBondContact O-CB 3.49Å; D289-A293 PolarHBondContact O-N 2.89Å; V290-A293 PolarHBondContact O-N 3.32Å; E291-A293 PolarHBondContact O-N 3.47Å; A293-R295 VanDerWaalsContact C-N 3.35Å; A293-I296 PolarHBondContact O-N 2.88Å; A293-H297 PolarHBondContact O-N 3.46Å; A293-V312 HydrophobicContact CB-CG1 3.65Å; A293-V312 HydrophobicContact CB-CG2 4.28Å; A293-V316 HydrophobicContact CB-CG2 4.4Å
294	L	89.8	Confident	83.5	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-66.8	-36.7	177.5	-71.1	177.4	0	0	0	111.9	V290 E291 H297 R298 V304 L309 V312 Y343 F346 I347	V290-L294 HydrophobicContact CG1-CD1 3.8Å; V290-L294 HydrophobicContact CG1-CG 4.24Å; V290-L294 WeakPolarHBondContact O-CB 3.45Å; V290-L294 WeakPolarHBondContact O-CG 3.33Å; V290-L294 PolarHBondContact O-N 3.32Å; E291-L294 PolarHBondContact O-N 2.9Å; L294-H297 PolarHBondContact O-N 3.46Å; L294-R298 WeakPolarHBondContact O-CB 3.5Å; L294-R298 PolarHBondContact O-N 2.88Å; L294-V304 HydrophobicContact CD2-CB 4.48Å; L294-V304 HydrophobicContact CD2-CG1 3.62Å; L294-V304 HydrophobicContact CD2-CG2 3.96Å; L294-L309 HydrophobicContact CD1-CD1 4.41Å; L294-L309 HydrophobicContact CD2-CD1 4.37Å; L294-V312 HydrophobicContact CD2-CB 4.47Å; L294-V312 HydrophobicContact CD2-CG1 4.43Å; L294-V312 HydrophobicContact CD2-CG2 4.07Å; L294-V312 HydrophobicContact CG-CG1 4.36Å; L294-Y343 HydrophobicContact CB-CD2 4.03Å; L294-Y343 HydrophobicContact CB-CE2 3.67Å; L294-F346 HydrophobicContact CD1-CD1 4.17Å; L294-F346 HydrophobicContact CD1-CE1 3.81Å; L294-I347 HydrophobicContact CD1-CD1 4.27Å
295	R	87.3	Confident	84.3	Confident	162 Å²	162	74 Å²	74	61%	0.611	39%	0.387	S	S	*	.	H	α-helix	trans	-63.5	-42.5	174.6	-172.8	174.8	-178.4	174.1	0.9	111.5	E291 T292 A293 H297 R298 L299	E291-R295 WeakPolarHBondContact O-CB 3.32Å; E291-R295 PolarHBondContact O-N 3.44Å; T292-R295 PolarHBondContact O-N 2.84Å; A293-R295 VanDerWaalsContact C-N 3.35Å; R295-H297 VanDerWaalsContact C-N 3.34Å; R295-R298 PolarHBondContact O-N 3.37Å; R295-L299 WeakPolarHBondContact O-CG 3.27Å; R295-L299 PolarHBondContact O-N 3.01Å
296	I	87.3	Confident	85.2	Confident	111 Å²	111	75 Å²	75	57%	0.569	38%	0.381	S	S	*	.	H	α-helix	trans	-61.3	-43.9	173.9	-68.5	164.2	0	0	0	110.6	T292 A293 R298 L299 A300	T292-I296 HydrophobicContact CG2-CD1 4.14Å; T292-I296 VanDerWaalsContact O-CG1 3.29Å; T292-I296 WeakPolarHBondContact O-CG1 3.4Å; T292-I296 PolarHBondContact O-N 3.45Å; A293-I296 PolarHBondContact O-N 2.88Å; I296-R298 VanDerWaalsContact C-N 3.34Å; I296-R298 PolarHBondContact O-N 3.31Å; I296-L299 PolarHBondContact O-N 3.48Å; I296-A300 PolarHBondContact O-N 2.69Å
297	H	85	Confident	85.6	Confident	50 Å²	50	74.1 Å²	74.1	23%	0.231	39%	0.388	C	S	.	.	H	α-helix	trans	-62.4	-40.9	178.5	-168.6	78.3	0	0	0	112.4	A293 L294 R295 L299 A300 S302 S303 T308	A293-H297 PolarHBondContact O-N 3.46Å; L294-H297 PolarHBondContact O-N 3.46Å; R295-H297 VanDerWaalsContact C-N 3.34Å; H297-L299 PolarHBondContact O-N 2.87Å; H297-A300 WeakPolarHBondContact O-CB 3.49Å; H297-A300 PolarHBondContact O-N 2.75Å; H297-A300 VanDerWaalsContact O-N 3.12Å; H297-S302 WeakPolarHBondContact NE2-CB 3.4Å; H297-S303 PolarHBondContact NE2-O 2.88Å; H297-T308 VanDerWaalsContact CD2-CG2 3.5Å; H297-T308 WeakPolarHBondContact CD2-CG2 3.38Å; H297-T308 WeakPolarHBondContact NE2-CG2 3.33Å; H297-T308 PolarHBondContact NE2-OG1 3.34Å
298	R	84	Confident	85.9	Confident	122 Å²	122	74.8 Å²	74.8	46%	0.46	39%	0.392	S	S	.	.	H	α-helix	trans	-69.2	-31.4	177.6	-169.2	172.4	177.9	-175.6	-3	113.2	L294 R295 I296 A300 E301 E344	L294-R298 WeakPolarHBondContact O-CB 3.5Å; L294-R298 PolarHBondContact O-N 2.88Å; R295-R298 PolarHBondContact O-N 3.37Å; I296-R298 VanDerWaalsContact C-N 3.34Å; I296-R298 PolarHBondContact O-N 3.31Å; R298-A300 PolarHBondContact O-N 2.79Å; R298-E301 PolarHBondContact O-N 3.45Å; R298-E344 IonicContact CZ-OE1 3.89Å; R298-E344 IonicContact NH1-OE1 3.56Å; R298-E344 PolarHBondContact NH1-OE1 3.35Å
299	L	85.1	Confident	86.2	Confident	137 Å²	137	69.5 Å²	69.5	72%	0.717	36%	0.364	S	S	*	.	H	α-helix	trans	-65.4	-23.1	171.9	-72.4	171.9	0	0	0	112.4	R295 I296 H297 E301	R295-L299 WeakPolarHBondContact O-CG 3.27Å; R295-L299 PolarHBondContact O-N 3.01Å; I296-L299 PolarHBondContact O-N 3.48Å; H297-L299 PolarHBondContact O-N 2.87Å; L299-E301 PolarHBondContact O-N 3.2Å
300	A	82.7	Confident	86.3	Confident	68 Å²	68	68.1 Å²	68.1	56%	0.562	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	21.5	170.1	0	0	0	0	0	112.8	I296 H297 R298 S302	I296-A300 PolarHBondContact O-N 2.69Å; H297-A300 WeakPolarHBondContact O-CB 3.49Å; H297-A300 PolarHBondContact O-N 2.75Å; H297-A300 VanDerWaalsContact O-N 3.12Å; R298-A300 PolarHBondContact O-N 2.79Å; A300-S302 PolarHBondContact O-N 3.38Å; A300-S302 VanDerWaalsContact O-N 3.08Å; A300-S302 PolarHBondContact O-OG 3.08Å
301	E	69.8	Low	86.4	Confident	190 Å²	190	76.8 Å²	76.8	89%	0.888	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	26.5	175.3	-61.6	-176.9	179.8	0	0	115.2	R298 L299	R298-E301 PolarHBondContact O-N 3.45Å; L299-E301 PolarHBondContact O-N 3.2Å
302	S	75.9	Confident	86.5	Confident	53 Å²	53	75.2 Å²	75.2	37%	0.371	38%	0.38	S	S	.	.			trans	-104.5	137.7	179.6	-60.4	0	0	0	0	111.2	H297 A300	H297-S302 WeakPolarHBondContact NE2-CB 3.4Å; A300-S302 PolarHBondContact O-N 3.38Å; A300-S302 VanDerWaalsContact O-N 3.08Å; A300-S302 PolarHBondContact O-OG 3.08Å
303	S	83.1	Confident	86.6	Confident	84 Å²	84	72 Å²	72	59%	0.587	36%	0.36	S	S	*	.			trans	-68.4	152.2	168.9	53.4	0	0	0	0	110.4	H297 D305	H297-S303 PolarHBondContact NE2-O 2.88Å; S303-D305 PolarHBondContact O-N 2.86Å
304	V	85.1	Confident	86.6	Confident	8 Å²	8	73.9 Å²	73.9	5%	0.048	37%	0.366	C	S	.	.			trans	-89.6	91.9	179.8	-178.5	0	0	0	0	108.7	L294 T308 L309 L341	L294-V304 HydrophobicContact CD2-CB 4.48Å; L294-V304 HydrophobicContact CD2-CG1 3.62Å; L294-V304 HydrophobicContact CD2-CG2 3.96Å; V304-T308 HydrophobicContact CG1-CG2 4.42Å; V304-L309 HydrophobicContact CG1-CB 4.33Å; V304-L341 HydrophobicContact CB-CB 4.16Å; V304-L341 HydrophobicContact CG1-CB 4.12Å; V304-L341 HydrophobicContact CG1-CD2 4.3Å; V304-L341 PolarHBondContact O-N 2.79Å
305	D	88.4	Confident	86.6	Confident	48 Å²	48	79.5 Å²	79.5	26%	0.257	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-84.5	172.6	175.6	76	-34.5	0	0	0	112.1	S303 T307 T308 L309	S303-D305 PolarHBondContact O-N 2.86Å; D305-T307 VanDerWaalsContact CG-OG1 3.31Å; D305-T307 PolarHBondContact O-N 2.87Å; D305-T307 PolarHBondContact OD1-OG1 3.43Å; D305-T307 WeakPolarHBondContact OD2-CB 3.32Å; D305-T307 PolarHBondContact OD2-N 3.32Å; D305-T307 PolarHBondContact OD2-OG1 3.04Å; D305-T308 PolarHBondContact O-N 3.04Å; D305-T308 WeakPolarHBondContact OD1-CA 3.45Å; D305-T308 WeakPolarHBondContact OD1-CB 3.14Å; D305-T308 PolarHBondContact OD1-N 2.97Å; D305-T308 PolarHBondContact OD1-OG1 3.2Å; D305-L309 PolarHBondContact O-N 3.48Å
306	R	90	Very high	86.7	Confident	88 Å²	88	73 Å²	73	33%	0.332	37%	0.374	S	S	.	.	H	α-helix	trans	-56.8	-37.4	179.7	-64.2	-169	-176.7	91.1	11	112.4	K310 V326 F330 D339	R306-K310 WeakPolarHBondContact O-CB 2.86Å; R306-K310 VanDerWaalsContact O-CG 3.28Å; R306-K310 WeakPolarHBondContact O-CG 3.36Å; R306-K310 PolarHBondContact O-N 2.89Å; R306-K310 VanDerWaalsContact O-N 3.08Å; R306-V326 HydrophobicContact CB-CG1 4.4Å; R306-F330 HydrophobicContact CB-CE2 4.16Å; R306-F330 HydrophobicContact CB-CZ 4.24Å; R306-F330 HydrophobicContact CG-CD1 3.8Å; R306-F330 HydrophobicContact CG-CD2 3.72Å; R306-F330 HydrophobicContact CG-CE1 3.78Å; R306-F330 HydrophobicContact CG-CE2 3.68Å; R306-F330 HydrophobicContact CG-CG 3.78Å; R306-F330 HydrophobicContact CG-CZ 3.73Å; R306-F330 VanDerWaalsContact N-CZ 3.28Å; R306-D339 IonicContact CZ-OD1 2.68Å; R306-D339 IonicContact NH1-OD1 2.57Å; R306-D339 PolarHBondContact NH1-OD1 3.03Å; R306-D339 IonicContact NH1-OD2 3.36Å; R306-D339 PolarHBondContact NH1-OD2 3.38Å; R306-D339 VanDerWaalsContact NH1-OD2 3.17Å; R306-D339 IonicContact NH2-OD1 3.5Å; R306-D339 PolarHBondContact NH2-OD1 3.1Å
307	T	89.9	Confident	86.6	Confident	95 Å²	95	68.4 Å²	68.4	58%	0.583	35%	0.351	S	S	*	.	H	α-helix	trans	-71.2	-40.8	-178	74.7	0	0	0	0	111.4	D305 K310 R311	D305-T307 VanDerWaalsContact CG-OG1 3.31Å; D305-T307 PolarHBondContact O-N 2.87Å; D305-T307 PolarHBondContact OD1-OG1 3.43Å; D305-T307 WeakPolarHBondContact OD2-CB 3.32Å; D305-T307 PolarHBondContact OD2-N 3.32Å; D305-T307 PolarHBondContact OD2-OG1 3.04Å; T307-K310 PolarHBondContact O-N 3.42Å; T307-R311 WeakPolarHBondContact O-CB 3.42Å; T307-R311 PolarHBondContact O-N 3.19Å
308	T	89.5	Confident	86.6	Confident	17 Å²	17	72.9 Å²	72.9	10%	0.104	38%	0.377	C	S	.	.	H	α-helix	trans	-63.8	-47.2	174.3	-65.3	0	0	0	0	111.3	H297 V304 D305 K310 R311 V312	H297-T308 VanDerWaalsContact CD2-CG2 3.5Å; H297-T308 WeakPolarHBondContact CD2-CG2 3.38Å; H297-T308 WeakPolarHBondContact NE2-CG2 3.33Å; H297-T308 PolarHBondContact NE2-OG1 3.34Å; V304-T308 HydrophobicContact CG1-CG2 4.42Å; D305-T308 PolarHBondContact O-N 3.04Å; D305-T308 WeakPolarHBondContact OD1-CA 3.45Å; D305-T308 WeakPolarHBondContact OD1-CB 3.14Å; D305-T308 PolarHBondContact OD1-N 2.97Å; D305-T308 PolarHBondContact OD1-OG1 3.2Å; T308-K310 VanDerWaalsContact C-N 3.33Å; T308-K310 PolarHBondContact O-N 3.36Å; T308-R311 WeakPolarHBondContact O-CB 3.31Å; T308-R311 PolarHBondContact O-N 3.15Å; T308-R311 VanDerWaalsContact O-N 3.11Å; T308-V312 HydrophobicContact CG2-CG2 4.41Å; T308-V312 WeakPolarHBondContact O-CG2 3.41Å; T308-V312 PolarHBondContact O-N 2.93Å
309	L	90.3	Very high	86.6	Confident	0 Å²	0	72 Å²	72	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-60.7	-44.7	179.9	-173	65.1	0	0	0	110.9	L294 V304 D305 R311 V312 I313 L329 F330 L341	L294-L309 HydrophobicContact CD1-CD1 4.41Å; L294-L309 HydrophobicContact CD2-CD1 4.37Å; V304-L309 HydrophobicContact CG1-CB 4.33Å; D305-L309 PolarHBondContact O-N 3.48Å; L309-R311 VanDerWaalsContact C-N 3.31Å; L309-R311 PolarHBondContact O-N 3.12Å; L309-V312 PolarHBondContact O-N 2.82Å; L309-I313 HydrophobicContact CD1-CD1 4.42Å; L309-I313 HydrophobicContact CD2-CD1 4.38Å; L309-I313 HydrophobicContact CG-CD1 3.87Å; L309-I313 HydrophobicContact CG-CG1 4.38Å; L309-I313 WeakPolarHBondContact O-CG1 3.15Å; L309-I313 PolarHBondContact O-N 3.26Å; L309-L329 HydrophobicContact CD2-CB 4.43Å; L309-L329 HydrophobicContact CD2-CD1 4.05Å; L309-F330 HydrophobicContact CB-CE2 4Å; L309-F330 HydrophobicContact CB-CZ 4.45Å; L309-F330 HydrophobicContact CD2-CD2 4.18Å; L309-F330 HydrophobicContact CD2-CE2 3.56Å; L309-F330 HydrophobicContact CD2-CZ 4.5Å; L309-F330 HydrophobicContact CG-CE2 4.42Å; L309-L341 HydrophobicContact CD1-CD2 4.39Å; L309-L341 HydrophobicContact CD2-CD2 4.37Å
310	K	92	Very high	86.6	Confident	48 Å²	48	70.9 Å²	70.9	21%	0.209	37%	0.374	C	S	.	.	H	α-helix	trans	-56.4	-45.2	173.6	-76.1	173.6	-174.9	-176.8	0	112.1	R306 T307 T308 V312 I313 N314 A321 E323 V326	R306-K310 WeakPolarHBondContact O-CB 2.86Å; R306-K310 VanDerWaalsContact O-CG 3.28Å; R306-K310 WeakPolarHBondContact O-CG 3.36Å; R306-K310 PolarHBondContact O-N 2.89Å; R306-K310 VanDerWaalsContact O-N 3.08Å; T307-K310 PolarHBondContact O-N 3.42Å; T308-K310 VanDerWaalsContact C-N 3.33Å; T308-K310 PolarHBondContact O-N 3.36Å; K310-V312 PolarHBondContact O-N 2.96Å; K310-I313 PolarHBondContact O-N 3.44Å; K310-N314 WeakPolarHBondContact O-CB 3.17Å; K310-N314 PolarHBondContact O-N 3.13Å; K310-N314 PolarHBondContact O-ND2 3.01Å; K310-N314 PolarHBondContact O-OD1 3.47Å; K310-A321 HydrophobicContact CB-CB 4.26Å; K310-A321 HydrophobicContact CG-CB 4.13Å; K310-E323 VanDerWaalsContact CE-OE1 3.25Å; K310-E323 WeakPolarHBondContact CE-OE1 3.21Å; K310-E323 VanDerWaalsContact CE-OE2 3.28Å; K310-E323 WeakPolarHBondContact CE-OE2 3.49Å; K310-E323 IonicContact NZ-OE1 3.09Å; K310-E323 PolarHBondContact NZ-OE1 3.01Å; K310-E323 IonicContact NZ-OE2 3.79Å; K310-E323 PolarHBondContact NZ-OE2 3.04Å; K310-V326 HydrophobicContact CG-CB 4.48Å; K310-V326 HydrophobicContact CG-CG1 4.23Å; K310-V326 HydrophobicContact CG-CG2 3.83Å
311	R	90.7	Very high	86.8	Confident	182 Å²	182	68.5 Å²	68.5	69%	0.687	36%	0.355	S	S	*	.	H	α-helix	trans	-61.7	-44.2	178.3	-174.7	178.1	179.1	175	-0.1	111.6	T307 T308 L309 N314 L315	T307-R311 WeakPolarHBondContact O-CB 3.42Å; T307-R311 PolarHBondContact O-N 3.19Å; T308-R311 WeakPolarHBondContact O-CB 3.31Å; T308-R311 PolarHBondContact O-N 3.15Å; T308-R311 VanDerWaalsContact O-N 3.11Å; L309-R311 VanDerWaalsContact C-N 3.31Å; L309-R311 PolarHBondContact O-N 3.12Å; R311-N314 PolarHBondContact O-N 2.82Å; R311-L315 HydrophobicContact CG-CD1 4.03Å; R311-L315 WeakPolarHBondContact O-CB 3.23Å; R311-L315 VanDerWaalsContact O-CG 3.23Å; R311-L315 WeakPolarHBondContact O-CG 3.22Å; R311-L315 PolarHBondContact O-N 3.33Å
312	V	91.4	Very high	87.5	Confident	10 Å²	10	60.3 Å²	60.3	6%	0.061	32%	0.319	C	S	.	.	H	α-helix	trans	-64.4	-45	177.5	171.6	0	0	0	0	111.1	V290 A293 L294 T308 L309 K310 N314 L315 V316	V290-V312 HydrophobicContact CG1-CG1 4.27Å; A293-V312 HydrophobicContact CB-CG1 3.65Å; A293-V312 HydrophobicContact CB-CG2 4.28Å; L294-V312 HydrophobicContact CD2-CB 4.47Å; L294-V312 HydrophobicContact CD2-CG1 4.43Å; L294-V312 HydrophobicContact CD2-CG2 4.07Å; L294-V312 HydrophobicContact CG-CG1 4.36Å; T308-V312 HydrophobicContact CG2-CG2 4.41Å; T308-V312 WeakPolarHBondContact O-CG2 3.41Å; T308-V312 PolarHBondContact O-N 2.93Å; L309-V312 PolarHBondContact O-N 2.82Å; K310-V312 PolarHBondContact O-N 2.96Å; V312-N314 VanDerWaalsContact C-N 3.32Å; V312-N314 PolarHBondContact O-N 3.21Å; V312-L315 PolarHBondContact O-N 3.33Å; V312-V316 HydrophobicContact CG1-CG2 4.17Å; V312-V316 WeakPolarHBondContact O-CB 3.38Å; V312-V316 WeakPolarHBondContact O-CG2 3.36Å; V312-V316 PolarHBondContact O-N 3.26Å
313	I	91	Very high	88	Confident	10 Å²	10	62.8 Å²	62.8	5%	0.051	32%	0.324	C	S	.	.	H	α-helix	trans	-58.7	-46	176.3	-65.9	168.4	0	0	0	110.3	L283 L309 K310 L315 V316 T317 A321 V326	L283-I313 HydrophobicContact CD1-CB 4.48Å; L283-I313 HydrophobicContact CD1-CG1 3.75Å; L283-I313 HydrophobicContact CD1-CG2 4.43Å; L283-I313 HydrophobicContact CD2-CD1 4.05Å; L283-I313 HydrophobicContact CD2-CG1 4.14Å; L309-I313 HydrophobicContact CD1-CD1 4.42Å; L309-I313 HydrophobicContact CD2-CD1 4.38Å; L309-I313 HydrophobicContact CG-CD1 3.87Å; L309-I313 HydrophobicContact CG-CG1 4.38Å; L309-I313 WeakPolarHBondContact O-CG1 3.15Å; L309-I313 PolarHBondContact O-N 3.26Å; K310-I313 PolarHBondContact O-N 3.44Å; I313-L315 VanDerWaalsContact C-N 3.34Å; I313-L315 PolarHBondContact O-N 3.2Å; I313-V316 PolarHBondContact O-N 2.95Å; I313-T317 HydrophobicContact CG2-CG2 4.27Å; I313-T317 WeakPolarHBondContact O-CB 3.39Å; I313-T317 WeakPolarHBondContact O-CG2 3.27Å; I313-T317 PolarHBondContact O-N 2.96Å; I313-T317 PolarHBondContact O-OG1 3.12Å; I313-A321 HydrophobicContact CB-CB 3.92Å; I313-A321 HydrophobicContact CD1-CB 4.27Å; I313-A321 HydrophobicContact CG2-CB 3.67Å; I313-V326 HydrophobicContact CD1-CG2 3.9Å
314	N	91.4	Very high	87.8	Confident	68 Å²	68	59.5 Å²	59.5	36%	0.364	30%	0.301	S	S	.	.	H	α-helix	trans	-59.5	-44.1	178.3	-70.6	-9.8	0	0	0	112.3	K310 R311 V312 D318 R319 P320 A321	K310-N314 WeakPolarHBondContact O-CB 3.17Å; K310-N314 PolarHBondContact O-N 3.13Å; K310-N314 PolarHBondContact O-ND2 3.01Å; K310-N314 PolarHBondContact O-OD1 3.47Å; R311-N314 PolarHBondContact O-N 2.82Å; V312-N314 VanDerWaalsContact C-N 3.32Å; V312-N314 PolarHBondContact O-N 3.21Å; N314-D318 WeakPolarHBondContact O-CA 3.36Å; N314-D318 PolarHBondContact O-N 3.4Å; N314-R319 WeakPolarHBondContact CA-O 3.48Å; N314-R319 PolarHBondContact OD1-O 3.48Å; N314-R319 VanDerWaalsContact OD1-O 3.06Å; N314-P320 WeakPolarHBondContact OD1-CA 3.38Å; N314-A321 WeakPolarHBondContact OD1-CB 3.34Å; N314-A321 PolarHBondContact OD1-N 2.86Å
315	L	89.7	Confident	87.6	Confident	119 Å²	119	59.7 Å²	59.7	62%	0.623	30%	0.303	S	S	*	.	H	α-helix	trans	-68.9	-38.8	-179.2	-73.3	168.1	0	0	0	112.9	R311 V312 I313	R311-L315 HydrophobicContact CG-CD1 4.03Å; R311-L315 WeakPolarHBondContact O-CB 3.23Å; R311-L315 VanDerWaalsContact O-CG 3.23Å; R311-L315 WeakPolarHBondContact O-CG 3.22Å; R311-L315 PolarHBondContact O-N 3.33Å; V312-L315 PolarHBondContact O-N 3.33Å; I313-L315 VanDerWaalsContact C-N 3.34Å; I313-L315 PolarHBondContact O-N 3.2Å
316	V	88.9	Confident	87.6	Confident	24 Å²	24	57.5 Å²	57.5	15%	0.145	29%	0.291	C	S	.	.	H	α-helix	trans	-85.5	-33.1	-173.8	172.4	0	0	0	0	112.2	R286 D289 V290 A293 V312 I313	R286-V316 HydrophobicContact CB-CG1 3.45Å; R286-V316 VanDerWaalsContact CB-CG1 3.45Å; R286-V316 HydrophobicContact CG-CG1 4.1Å; D289-V316 HydrophobicContact CB-CG1 3.6Å; D289-V316 HydrophobicContact CB-CG2 4.27Å; V290-V316 HydrophobicContact CG2-CB 4.37Å; V290-V316 HydrophobicContact CG2-CG1 3.91Å; V290-V316 HydrophobicContact CG2-CG2 4.47Å; A293-V316 HydrophobicContact CB-CG2 4.4Å; V312-V316 HydrophobicContact CG1-CG2 4.17Å; V312-V316 WeakPolarHBondContact O-CB 3.38Å; V312-V316 WeakPolarHBondContact O-CG2 3.36Å; V312-V316 PolarHBondContact O-N 3.26Å; I313-V316 PolarHBondContact O-N 2.95Å
317	T	84.2	Confident	87.1	Confident	16 Å²	16	56.6 Å²	56.6	10%	0.098	29%	0.29	C	S	.	.	H	α-helix	trans	-98.7	-8.1	-175.1	68.2	0	0	0	0	114	L282 L283 I313 R319	L282-T317 HydrophobicContact CD2-CG2 4.37Å; L282-T317 HydrophobicContact CG-CG2 4.06Å; L283-T317 HydrophobicContact CD1-CG2 4.39Å; I313-T317 HydrophobicContact CG2-CG2 4.27Å; I313-T317 WeakPolarHBondContact O-CB 3.39Å; I313-T317 WeakPolarHBondContact O-CG2 3.27Å; I313-T317 PolarHBondContact O-N 2.96Å; I313-T317 PolarHBondContact O-OG1 3.12Å; T317-R319 PolarHBondContact O-N 2.81Å; T317-R319 PolarHBondContact OG1-O 3.4Å
318	D	85.1	Confident	86.3	Confident	144 Å²	144	53.2 Å²	53.2	77%	0.77	27%	0.269	S	S	*	.	S	Bend	trans	51.1	31.7	-171	-62.2	-47.1	0	0	0	112.7	N314	N314-D318 WeakPolarHBondContact O-CA 3.36Å; N314-D318 PolarHBondContact O-N 3.4Å
319	R	83.9	Confident	85.7	Confident	103 Å²	103	52.5 Å²	52.5	39%	0.389	26%	0.264	S	S	.	.	S	Bend	trans	-140.3	149.4	-179.1	-73.1	-163.4	-179.8	-165.5	-2.5	111.3	R226 E278 L282 N314 T317 A321	R226-R319 VanDerWaalsContact NH1-NH2 3.12Å; E278-R319 IonicContact OE2-CZ 2.68Å; E278-R319 IonicContact OE2-NH1 2.71Å; E278-R319 PolarHBondContact OE2-NH1 3.49Å; L282-R319 HydrophobicContact CD2-CG 4.17Å; N314-R319 WeakPolarHBondContact CA-O 3.48Å; N314-R319 PolarHBondContact OD1-O 3.48Å; N314-R319 VanDerWaalsContact OD1-O 3.06Å; T317-R319 PolarHBondContact O-N 2.81Å; T317-R319 PolarHBondContact OG1-O 3.4Å; R319-A321 PolarHBondContact O-N 3.14Å
320	P	86.5	Confident	85.3	Confident	113 Å²	113	52.6 Å²	52.6	73%	0.734	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-61.2	129.3	172.1	27.1	-33.7	0	0	0	110.2	N314 S322	N314-P320 WeakPolarHBondContact OD1-CA 3.38Å; P320-S322 PolarHBondContact O-N 3.46Å
321	A	85.2	Confident	84.1	Confident	18 Å²	18	53 Å²	53	15%	0.149	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-61.4	130.4	174.8	0	0	0	0	0	109.4	K310 I313 N314 R319 E323 V326	K310-A321 HydrophobicContact CB-CB 4.26Å; K310-A321 HydrophobicContact CG-CB 4.13Å; I313-A321 HydrophobicContact CB-CB 3.92Å; I313-A321 HydrophobicContact CD1-CB 4.27Å; I313-A321 HydrophobicContact CG2-CB 3.67Å; N314-A321 WeakPolarHBondContact OD1-CB 3.34Å; N314-A321 PolarHBondContact OD1-N 2.86Å; R319-A321 PolarHBondContact O-N 3.14Å; A321-E323 PolarHBondContact O-N 3.29Å; A321-V326 HydrophobicContact CB-CG2 4.33Å
322	S	84.8	Confident	82.7	Confident	19 Å²	19	47.2 Å²	47.2	13%	0.133	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-68.4	124	171.8	164.8	0	0	0	0	109.4	D276 P320 C324 V325 V326	D276-S322 VanDerWaalsContact OD1-CB 3.3Å; D276-S322 WeakPolarHBondContact OD1-CB 3.31Å; D276-S322 PolarHBondContact OD1-OG 2.78Å; P320-S322 PolarHBondContact O-N 3.46Å; S322-C324 VanDerWaalsContact C-N 3.26Å; S322-C324 PolarHBondContact O-N 3.16Å; S322-C324 PolarHBondContact OG-N 2.66Å; S322-V325 PolarHBondContact O-N 3.29Å; S322-V325 PolarHBondContact OG-N 3.35Å; S322-V326 WeakPolarHBondContact O-CG2 3.47Å; S322-V326 PolarHBondContact O-N 2.88Å; S322-V326 VanDerWaalsContact O-N 3.09Å
323	E	87.6	Confident	81.7	Confident	104 Å²	104	47.1 Å²	47.1	49%	0.486	26%	0.257	S	S	.	.	H	α-helix	trans	-53.1	-46	173.7	-70.8	-64.7	148	0	0	111.2	K310 A321 V325 V326 E327	K310-E323 VanDerWaalsContact CE-OE1 3.25Å; K310-E323 WeakPolarHBondContact CE-OE1 3.21Å; K310-E323 VanDerWaalsContact CE-OE2 3.28Å; K310-E323 WeakPolarHBondContact CE-OE2 3.49Å; K310-E323 IonicContact NZ-OE1 3.09Å; K310-E323 PolarHBondContact NZ-OE1 3.01Å; K310-E323 IonicContact NZ-OE2 3.79Å; K310-E323 PolarHBondContact NZ-OE2 3.04Å; A321-E323 PolarHBondContact O-N 3.29Å; E323-V325 PolarHBondContact O-N 3.01Å; E323-V326 PolarHBondContact O-N 2.59Å; E323-E327 WeakPolarHBondContact O-CG 3.47Å; E323-E327 PolarHBondContact O-N 3.17Å
324	C	79.3	Confident	80.9	Confident	16 Å²	16	47.4 Å²	47.4	11%	0.108	26%	0.258	C	S	.	.	H	α-helix	trans	-62.6	-41.6	-179.9	-174.4	0	0	0	0	111.9	S322 V326 E327 I328	S322-C324 VanDerWaalsContact C-N 3.26Å; S322-C324 PolarHBondContact O-N 3.16Å; S322-C324 PolarHBondContact OG-N 2.66Å; C324-V326 VanDerWaalsContact C-N 3.34Å; C324-V326 PolarHBondContact O-N 2.94Å; C324-E327 PolarHBondContact O-N 3.17Å; C324-I328 VanDerWaalsContact O-CG1 3.24Å; C324-I328 WeakPolarHBondContact O-CG1 3.22Å; C324-I328 PolarHBondContact O-N 2.93Å
325	V	80.5	Confident	79.5	Confident	12 Å²	12	47.5 Å²	47.5	7%	0.073	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-41.5	176.5	176	0	0	0	0	111.1	D276 F280 S322 E323 I328 L329	D276-V325 HydrophobicContact CB-CG2 3.92Å; D276-V325 WeakPolarHBondContact O-CG2 3.28Å; F280-V325 HydrophobicContact CB-CG1 4.11Å; F280-V325 HydrophobicContact CB-CG2 4.22Å; F280-V325 HydrophobicContact CD2-CG1 3.83Å; F280-V325 HydrophobicContact CG-CG1 4.45Å; S322-V325 PolarHBondContact O-N 3.29Å; S322-V325 PolarHBondContact OG-N 3.35Å; E323-V325 PolarHBondContact O-N 3.01Å; V325-I328 PolarHBondContact O-N 3.24Å; V325-L329 HydrophobicContact CG1-CD1 4.13Å; V325-L329 HydrophobicContact CG1-CG 4.41Å; V325-L329 WeakPolarHBondContact O-CB 3.22Å; V325-L329 VanDerWaalsContact O-CG 3.27Å; V325-L329 WeakPolarHBondContact O-CG 3.21Å; V325-L329 PolarHBondContact O-N 2.64Å
326	V	87.5	Confident	78.6	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-67.5	-42.5	179.1	174.8	0	0	0	0	110.9	R306 K310 I313 A321 S322 E323 C324 I328 L329 F330	R306-V326 HydrophobicContact CB-CG1 4.4Å; K310-V326 HydrophobicContact CG-CB 4.48Å; K310-V326 HydrophobicContact CG-CG1 4.23Å; K310-V326 HydrophobicContact CG-CG2 3.83Å; I313-V326 HydrophobicContact CD1-CG2 3.9Å; A321-V326 HydrophobicContact CB-CG2 4.33Å; S322-V326 WeakPolarHBondContact O-CG2 3.47Å; S322-V326 PolarHBondContact O-N 2.88Å; S322-V326 VanDerWaalsContact O-N 3.09Å; E323-V326 PolarHBondContact O-N 2.59Å; C324-V326 VanDerWaalsContact C-N 3.34Å; C324-V326 PolarHBondContact O-N 2.94Å; V326-I328 VanDerWaalsContact C-N 3.34Å; V326-I328 PolarHBondContact O-N 2.71Å; V326-L329 PolarHBondContact O-N 2.8Å; V326-F330 HydrophobicContact CG1-CD2 3.91Å; V326-F330 HydrophobicContact CG1-CE2 4.08Å; V326-F330 WeakPolarHBondContact O-CD2 3.44Å; V326-F330 PolarHBondContact O-N 3.22Å
327	E	80.5	Confident	77.6	Confident	68 Å²	68	49.5 Å²	49.5	32%	0.318	29%	0.291	S	S	.	.	H	α-helix	trans	-57.2	-46.6	173.9	-75.1	176.1	-174.8	0	0	111.5	I268 E323 C324 L329 F330 A331	I268-E327 HydrophobicContact CG2-CB 4.09Å; E323-E327 WeakPolarHBondContact O-CG 3.47Å; E323-E327 PolarHBondContact O-N 3.17Å; C324-E327 PolarHBondContact O-N 3.17Å; E327-L329 PolarHBondContact O-N 3.36Å; E327-F330 PolarHBondContact O-N 2.84Å; E327-A331 VanDerWaalsContact O-CB 3.28Å; E327-A331 WeakPolarHBondContact O-CB 3.45Å; E327-A331 PolarHBondContact O-N 2.58Å
328	I	71.9	Confident	77.5	Confident	25 Å²	25	52.9 Å²	52.9	13%	0.128	31%	0.308	C	S	.	.	H	α-helix	trans	-62.2	-43.7	177.4	-69.4	167.3	0	0	0	111.1	F265 I268 V272 C324 V325 V326 A331 M332	F265-I328 HydrophobicContact CE2-CG2 4.19Å; F265-I328 HydrophobicContact CZ-CG2 4.47Å; I268-I328 HydrophobicContact CG2-CD1 4.19Å; I268-I328 HydrophobicContact CG2-CG1 3.49Å; I268-I328 VanDerWaalsContact CG2-CG1 3.49Å; V272-I328 HydrophobicContact CG2-CD1 3.42Å; V272-I328 VanDerWaalsContact CG2-CD1 3.42Å; C324-I328 VanDerWaalsContact O-CG1 3.24Å; C324-I328 WeakPolarHBondContact O-CG1 3.22Å; C324-I328 PolarHBondContact O-N 2.93Å; V325-I328 PolarHBondContact O-N 3.24Å; V326-I328 VanDerWaalsContact C-N 3.34Å; V326-I328 PolarHBondContact O-N 2.71Å; I328-A331 PolarHBondContact O-N 3.17Å; I328-M332 HydrophobicContact CG2-CE 3.64Å; I328-M332 HydrophobicContact CG2-SD 4.13Å; I328-M332 VanDerWaalsContact O-CG 3.3Å; I328-M332 WeakPolarHBondContact O-CG 3.35Å; I328-M332 PolarHBondContact O-N 2.77Å
329	L	78.3	Confident	77.1	Confident	1 Å²	1	50 Å²	50	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-62.4	-45.6	178.9	-75.3	177.3	0	0	0	112	F280 L283 L309 V325 V326 E327 M332 F333 F346 M350	F280-L329 HydrophobicContact CE2-CD2 4Å; L283-L329 HydrophobicContact CD2-CD1 3.99Å; L309-L329 HydrophobicContact CD2-CB 4.43Å; L309-L329 HydrophobicContact CD2-CD1 4.05Å; V325-L329 HydrophobicContact CG1-CD1 4.13Å; V325-L329 HydrophobicContact CG1-CG 4.41Å; V325-L329 WeakPolarHBondContact O-CB 3.22Å; V325-L329 VanDerWaalsContact O-CG 3.27Å; V325-L329 WeakPolarHBondContact O-CG 3.21Å; V325-L329 PolarHBondContact O-N 2.64Å; V326-L329 PolarHBondContact O-N 2.8Å; E327-L329 PolarHBondContact O-N 3.36Å; L329-M332 HydrophobicContact CD2-CE 3.92Å; L329-M332 PolarHBondContact O-N 3.35Å; L329-F333 HydrophobicContact CD2-CD2 4.24Å; L329-F333 HydrophobicContact CD2-CE2 3.98Å; L329-F333 WeakPolarHBondContact O-CB 3.47Å; L329-F333 VanDerWaalsContact O-CD2 3.27Å; L329-F333 WeakPolarHBondContact O-CD2 3.41Å; L329-F333 PolarHBondContact O-N 3.41Å; L329-F346 HydrophobicContact CD1-CE2 4.2Å; L329-F346 HydrophobicContact CD2-CD2 4.5Å; L329-F346 HydrophobicContact CD2-CE2 3.87Å; L329-M350 HydrophobicContact CD2-CE 4.4Å; L329-M350 HydrophobicContact CD2-SD 4.44Å
330	F	80.1	Confident	77	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.009	28%	0.28	C	S	.	.	H	α-helix	trans	-66.6	-43.6	176.1	-86.5	-97.5	0	0	0	111.1	R306 L309 V326 E327 M332 F333 D334 D339 L341	R306-F330 HydrophobicContact CB-CE2 4.16Å; R306-F330 HydrophobicContact CB-CZ 4.24Å; R306-F330 HydrophobicContact CG-CD1 3.8Å; R306-F330 HydrophobicContact CG-CD2 3.72Å; R306-F330 HydrophobicContact CG-CE1 3.78Å; R306-F330 HydrophobicContact CG-CE2 3.68Å; R306-F330 HydrophobicContact CG-CG 3.78Å; R306-F330 HydrophobicContact CG-CZ 3.73Å; R306-F330 VanDerWaalsContact N-CZ 3.28Å; L309-F330 HydrophobicContact CB-CE2 4Å; L309-F330 HydrophobicContact CB-CZ 4.45Å; L309-F330 HydrophobicContact CD2-CD2 4.18Å; L309-F330 HydrophobicContact CD2-CE2 3.56Å; L309-F330 HydrophobicContact CD2-CZ 4.5Å; L309-F330 HydrophobicContact CG-CE2 4.42Å; V326-F330 HydrophobicContact CG1-CD2 3.91Å; V326-F330 HydrophobicContact CG1-CE2 4.08Å; V326-F330 WeakPolarHBondContact O-CD2 3.44Å; V326-F330 PolarHBondContact O-N 3.22Å; E327-F330 PolarHBondContact O-N 2.84Å; F330-M332 PolarHBondContact O-N 2.91Å; F330-F333 PolarHBondContact O-N 3.42Å; F330-D334 HydrophobicContact CD1-CB 4.15Å; F330-D334 WeakPolarHBondContact O-CB 3.4Å; F330-D334 PolarHBondContact O-N 3.49Å; F330-D339 WeakPolarHBondContact CE1-O 3.46Å; F330-L341 HydrophobicContact CD2-CD1 4.38Å; F330-L341 HydrophobicContact CE1-CB 4.19Å; F330-L341 HydrophobicContact CE2-CD1 4.33Å; F330-L341 HydrophobicContact CZ-CB 4.08Å; F330-L341 HydrophobicContact CZ-CD1 4.38Å
331	A	67.1	Low	76.8	Confident	56 Å²	56	41 Å²	41	46%	0.463	25%	0.248	S	C	.	.	H	α-helix	trans	-60.1	-23.1	176.6	0	0	0	0	0	113.8	F265 E327 I328	F265-A331 HydrophobicContact CD2-CB 3.81Å; F265-A331 HydrophobicContact CE2-CB 4.3Å; E327-A331 VanDerWaalsContact O-CB 3.28Å; E327-A331 WeakPolarHBondContact O-CB 3.45Å; E327-A331 PolarHBondContact O-N 2.58Å; I328-A331 PolarHBondContact O-N 3.17Å
332	M	62.1	Low	76.6	Confident	62 Å²	62	41.8 Å²	41.8	31%	0.305	26%	0.255	S	S	.	.	H	α-helix	trans	-91.5	-31.7	176.1	-70.1	-174.7	-55.5	0	0	114.5	F265 I328 L329 F330	F265-M332 HydrophobicContact CE2-CG 3.69Å; F265-M332 HydrophobicContact CE2-SD 4.38Å; F265-M332 HydrophobicContact CZ-CG 4.07Å; F265-M332 HydrophobicContact CZ-SD 4.27Å; I328-M332 HydrophobicContact CG2-CE 3.64Å; I328-M332 HydrophobicContact CG2-SD 4.13Å; I328-M332 VanDerWaalsContact O-CG 3.3Å; I328-M332 WeakPolarHBondContact O-CG 3.35Å; I328-M332 PolarHBondContact O-N 2.77Å; L329-M332 HydrophobicContact CD2-CE 3.92Å; L329-M332 PolarHBondContact O-N 3.35Å; F330-M332 PolarHBondContact O-N 2.91Å
333	F	70.6	Confident	76.5	Confident	7 Å²	7	42.2 Å²	42.2	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-121.7	3.4	-167.8	-64.9	-72	0	0	0	114.2	L329 F330 L341 A342 E345 F346 V349	L329-F333 HydrophobicContact CD2-CD2 4.24Å; L329-F333 HydrophobicContact CD2-CE2 3.98Å; L329-F333 WeakPolarHBondContact O-CB 3.47Å; L329-F333 VanDerWaalsContact O-CD2 3.27Å; L329-F333 WeakPolarHBondContact O-CD2 3.41Å; L329-F333 PolarHBondContact O-N 3.41Å; F330-F333 PolarHBondContact O-N 3.42Å; F333-L341 HydrophobicContact CB-CD1 3.6Å; F333-L341 HydrophobicContact CB-CG 4.27Å; F333-L341 HydrophobicContact CG-CD1 4.47Å; F333-A342 VanDerWaalsContact O-CB 3.23Å; F333-A342 WeakPolarHBondContact O-CB 3.3Å; F333-A342 PolarHBondContact O-N 3.15Å; F333-E345 HydrophobicContact CD1-CB 4.48Å; F333-E345 HydrophobicContact CD1-CG 4.02Å; F333-E345 HydrophobicContact CE1-CG 4.19Å; F333-F346 HydrophobicContact CD1-CB 4.22Å; F333-F346 AromaticContact CD2-CD2 3.69Å; F333-F346 HydrophobicContact CD2-CD2 3.69Å; F333-F346 HydrophobicContact CD2-CE2 4.49Å; F333-F346 AromaticContact CE2-CD2 3.78Å; F333-F346 HydrophobicContact CE2-CD2 3.78Å; F333-F346 HydrophobicContact CE2-CE2 4.42Å; F333-F346 HydrophobicContact CG-CB 4.21Å; F333-F346 HydrophobicContact CG-CD2 4.18Å; F333-F346 HydrophobicContact CZ-CD2 4.34Å; F333-V349 HydrophobicContact CE1-CB 3.77Å; F333-V349 HydrophobicContact CE1-CG1 4.07Å; F333-V349 HydrophobicContact CE1-CG2 3.95Å; F333-V349 HydrophobicContact CZ-CB 3.85Å; F333-V349 HydrophobicContact CZ-CG1 3.74Å; F333-V349 HydrophobicContact CZ-CG2 4.46Å
334	D	73.6	Confident	76.1	Confident	16 Å²	16	43.1 Å²	43.1	9%	0.086	26%	0.258	C	S	.	.			trans	-107.6	70.6	171.5	-178.2	0.8	0	0	0	108.5	F330 N336 A337 D338 D339	F330-D334 HydrophobicContact CD1-CB 4.15Å; F330-D334 WeakPolarHBondContact O-CB 3.4Å; F330-D334 PolarHBondContact O-N 3.49Å; D334-N336 PolarHBondContact O-N 2.98Å; D334-N336 PolarHBondContact OD1-OD1 3.32Å; D334-A337 PolarHBondContact O-N 3.45Å; D334-A337 WeakPolarHBondContact OD1-CA 3.42Å; D334-A337 PolarHBondContact OD1-N 3.1Å; D334-D338 PolarHBondContact OD1-N 3.48Å; D334-D339 WeakPolarHBondContact OD2-CA 3.36Å; D334-D339 PolarHBondContact OD2-N 3.47Å
335	A	61.6	Low	75.6	Confident	70 Å²	70	46.2 Å²	46.2	58%	0.579	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-22.6	-174.2	0	0	0	0	0	112.9
336	N	71.1	Confident	75.6	Confident	105 Å²	105	45.6 Å²	45.6	56%	0.561	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	1.5	179.4	55.4	-32.4	0	0	0	113.5	D334 D338	D334-N336 PolarHBondContact O-N 2.98Å; D334-N336 PolarHBondContact OD1-OD1 3.32Å; N336-D338 PolarHBondContact ND2-OD2 3.06Å; N336-D338 PolarHBondContact O-N 2.95Å; N336-D338 PolarHBondContact OD1-OD1 3.05Å
337	A	69.3	Low	75.2	Confident	81 Å²	81	46 Å²	46	67%	0.669	27%	0.269	S	S	*	.			trans	50.7	36.3	-178.8	0	0	0	0	0	112.6	D334 D339	D334-A337 PolarHBondContact O-N 3.45Å; D334-A337 WeakPolarHBondContact OD1-CA 3.42Å; D334-A337 PolarHBondContact OD1-N 3.1Å; A337-D339 VanDerWaalsContact C-N 3.29Å
338	D	80.4	Confident	74.5	Confident	87 Å²	87	50.1 Å²	50.1	47%	0.465	29%	0.286	S	S	.	.	S	Bend	trans	-92.2	8.2	179.5	74.8	-10.3	0	0	0	112.6	D334 N336 A340	D334-D338 PolarHBondContact OD1-N 3.48Å; N336-D338 PolarHBondContact ND2-OD2 3.06Å; N336-D338 PolarHBondContact O-N 2.95Å; N336-D338 PolarHBondContact OD1-OD1 3.05Å; D338-A340 PolarHBondContact O-N 3.38Å; D338-A340 WeakPolarHBondContact OD1-CA 3.42Å; D338-A340 VanDerWaalsContact OD1-CB 3.24Å; D338-A340 WeakPolarHBondContact OD1-CB 3.42Å; D338-A340 PolarHBondContact OD1-N 3.2Å
339	D	78.4	Confident	74	Confident	83 Å²	83	51.1 Å²	51.1	44%	0.444	29%	0.293	S	S	.	.	S	Bend	trans	61	17.9	-174.7	-71	-18.8	0	0	0	113.5	R306 F330 D334 A337	R306-D339 IonicContact CZ-OD1 2.68Å; R306-D339 IonicContact NH1-OD1 2.57Å; R306-D339 PolarHBondContact NH1-OD1 3.03Å; R306-D339 IonicContact NH1-OD2 3.36Å; R306-D339 PolarHBondContact NH1-OD2 3.38Å; R306-D339 VanDerWaalsContact NH1-OD2 3.17Å; R306-D339 IonicContact NH2-OD1 3.5Å; R306-D339 PolarHBondContact NH2-OD1 3.1Å; F330-D339 WeakPolarHBondContact CE1-O 3.46Å; D334-D339 WeakPolarHBondContact OD2-CA 3.36Å; D334-D339 PolarHBondContact OD2-N 3.47Å; A337-D339 VanDerWaalsContact C-N 3.29Å
340	A	81.6	Confident	73.6	Confident	15 Å²	15	51.2 Å²	51.2	12%	0.124	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-115.9	137.3	174.4	0	0	0	0	0	111.7	D338	D338-A340 PolarHBondContact O-N 3.38Å; D338-A340 WeakPolarHBondContact OD1-CA 3.42Å; D338-A340 VanDerWaalsContact OD1-CB 3.24Å; D338-A340 WeakPolarHBondContact OD1-CB 3.42Å; D338-A340 PolarHBondContact OD1-N 3.2Å
341	L	82.5	Confident	73	Confident	11 Å²	11	54.6 Å²	54.6	6%	0.058	31%	0.308	C	S	.	.			trans	-78	128.6	179.6	-163.4	79.5	0	0	0	110.8	V304 L309 F330 F333 Y343 F346	V304-L341 HydrophobicContact CB-CB 4.16Å; V304-L341 HydrophobicContact CG1-CB 4.12Å; V304-L341 HydrophobicContact CG1-CD2 4.3Å; V304-L341 PolarHBondContact O-N 2.79Å; L309-L341 HydrophobicContact CD1-CD2 4.39Å; L309-L341 HydrophobicContact CD2-CD2 4.37Å; F330-L341 HydrophobicContact CD2-CD1 4.38Å; F330-L341 HydrophobicContact CE1-CB 4.19Å; F330-L341 HydrophobicContact CE2-CD1 4.33Å; F330-L341 HydrophobicContact CZ-CB 4.08Å; F330-L341 HydrophobicContact CZ-CD1 4.38Å; F333-L341 HydrophobicContact CB-CD1 3.6Å; F333-L341 HydrophobicContact CB-CG 4.27Å; F333-L341 HydrophobicContact CG-CD1 4.47Å; L341-Y343 VanDerWaalsContact C-N 3.33Å; L341-Y343 PolarHBondContact O-N 3.08Å; L341-F346 HydrophobicContact CD1-CD2 4.4Å; L341-F346 HydrophobicContact CD2-CB 3.89Å; L341-F346 HydrophobicContact CD2-CD1 3.71Å; L341-F346 HydrophobicContact CD2-CD2 3.81Å; L341-F346 HydrophobicContact CD2-CE1 4.17Å; L341-F346 HydrophobicContact CD2-CE2 4.24Å; L341-F346 HydrophobicContact CD2-CG 3.51Å; L341-F346 HydrophobicContact CD2-CZ 4.41Å; L341-F346 HydrophobicContact CG-CB 4.12Å; L341-F346 HydrophobicContact CG-CD2 4.42Å; L341-F346 HydrophobicContact CG-CG 4.21Å
342	A	80.4	Confident	72.3	Confident	36 Å²	36	55.9 Å²	55.9	30%	0.298	31%	0.313	S	S	.	.			trans	-67.1	87.6	170.6	0	0	0	0	0	111.2	F333 E344 E345 F346	F333-A342 VanDerWaalsContact O-CB 3.23Å; F333-A342 WeakPolarHBondContact O-CB 3.3Å; F333-A342 PolarHBondContact O-N 3.15Å; A342-E344 PolarHBondContact O-N 3Å; A342-E345 HydrophobicContact CB-CB 4.23Å; A342-E345 PolarHBondContact O-N 2.75Å; A342-F346 WeakPolarHBondContact O-CB 3.47Å; A342-F346 PolarHBondContact O-N 3.45Å
343	Y	83.3	Confident	71.8	Confident	27 Å²	27	55.2 Å²	55.2	11%	0.106	31%	0.311	C	S	.	.	H	α-helix	trans	-50.3	-48.8	-171.2	171.2	-87.8	0	0	0	114	L294 L341 E345 F346 I347	L294-Y343 HydrophobicContact CB-CD2 4.03Å; L294-Y343 HydrophobicContact CB-CE2 3.67Å; L341-Y343 VanDerWaalsContact C-N 3.33Å; L341-Y343 PolarHBondContact O-N 3.08Å; Y343-E345 VanDerWaalsContact C-N 3.34Å; Y343-E345 PolarHBondContact O-N 3.39Å; Y343-F346 PolarHBondContact O-N 2.83Å; Y343-I347 HydrophobicContact CD1-CG1 4.49Å; Y343-I347 HydrophobicContact CD2-CG1 4.07Å; Y343-I347 HydrophobicContact CE1-CG1 4.2Å; Y343-I347 HydrophobicContact CE2-CD1 4.28Å; Y343-I347 HydrophobicContact CE2-CG1 3.74Å; Y343-I347 HydrophobicContact CG-CG1 4.45Å; Y343-I347 WeakPolarHBondContact O-CB 3.48Å; Y343-I347 WeakPolarHBondContact O-CG1 3.34Å; Y343-I347 PolarHBondContact O-N 3.17Å
344	E	77.6	Confident	71	Confident	123 Å²	123	58.1 Å²	58.1	58%	0.575	33%	0.329	S	S	*	.	H	α-helix	trans	-64.7	-41.3	-175.4	-62.1	-57.4	152.3	0	0	111.6	R298 A342 K348	R298-E344 IonicContact CZ-OE1 3.89Å; R298-E344 IonicContact NH1-OE1 3.56Å; R298-E344 PolarHBondContact NH1-OE1 3.35Å; A342-E344 PolarHBondContact O-N 3Å; E344-K348 WeakPolarHBondContact O-CB 3.29Å; E344-K348 PolarHBondContact O-N 3.49Å
345	E	70.4	Confident	69.6	Low	81 Å²	81	58.8 Å²	58.8	38%	0.379	34%	0.34	S	S	.	.	H	α-helix	trans	-70.2	-46.6	179.2	-173.5	171.1	-171.1	0	0	110.9	F333 A342 Y343 I347 K348 V349	F333-E345 HydrophobicContact CD1-CB 4.48Å; F333-E345 HydrophobicContact CD1-CG 4.02Å; F333-E345 HydrophobicContact CE1-CG 4.19Å; A342-E345 HydrophobicContact CB-CB 4.23Å; A342-E345 PolarHBondContact O-N 2.75Å; Y343-E345 VanDerWaalsContact C-N 3.34Å; Y343-E345 PolarHBondContact O-N 3.39Å; E345-I347 PolarHBondContact O-N 2.81Å; E345-K348 PolarHBondContact O-N 2.87Å; E345-V349 HydrophobicContact CG-CG2 4.31Å; E345-V349 WeakPolarHBondContact O-CB 3.43Å; E345-V349 VanDerWaalsContact O-CG2 3.32Å; E345-V349 WeakPolarHBondContact O-CG2 3.32Å; E345-V349 PolarHBondContact O-N 2.92Å
346	F	78.5	Confident	69	Low	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-54.7	-54.4	176.1	172.5	-103.1	0	0	0	111.6	M287 V290 L294 L329 F333 L341 A342 Y343 K348 V349 M350	M287-F346 HydrophobicContact CE-CE1 4.09Å; M287-F346 HydrophobicContact CE-CZ 4.39Å; V290-F346 HydrophobicContact CG1-CE1 4.4Å; L294-F346 HydrophobicContact CD1-CD1 4.17Å; L294-F346 HydrophobicContact CD1-CE1 3.81Å; L329-F346 HydrophobicContact CD1-CE2 4.2Å; L329-F346 HydrophobicContact CD2-CD2 4.5Å; L329-F346 HydrophobicContact CD2-CE2 3.87Å; F333-F346 HydrophobicContact CD1-CB 4.22Å; F333-F346 AromaticContact CD2-CD2 3.69Å; F333-F346 HydrophobicContact CD2-CD2 3.69Å; F333-F346 HydrophobicContact CD2-CE2 4.49Å; F333-F346 AromaticContact CE2-CD2 3.78Å; F333-F346 HydrophobicContact CE2-CD2 3.78Å; F333-F346 HydrophobicContact CE2-CE2 4.42Å; F333-F346 HydrophobicContact CG-CB 4.21Å; F333-F346 HydrophobicContact CG-CD2 4.18Å; F333-F346 HydrophobicContact CZ-CD2 4.34Å; L341-F346 HydrophobicContact CD1-CD2 4.4Å; L341-F346 HydrophobicContact CD2-CB 3.89Å; L341-F346 HydrophobicContact CD2-CD1 3.71Å; L341-F346 HydrophobicContact CD2-CD2 3.81Å; L341-F346 HydrophobicContact CD2-CE1 4.17Å; L341-F346 HydrophobicContact CD2-CE2 4.24Å; L341-F346 HydrophobicContact CD2-CG 3.51Å; L341-F346 HydrophobicContact CD2-CZ 4.41Å; L341-F346 HydrophobicContact CG-CB 4.12Å; L341-F346 HydrophobicContact CG-CD2 4.42Å; L341-F346 HydrophobicContact CG-CG 4.21Å; A342-F346 WeakPolarHBondContact O-CB 3.47Å; A342-F346 PolarHBondContact O-N 3.45Å; Y343-F346 PolarHBondContact O-N 2.83Å; F346-K348 PolarHBondContact O-N 2.81Å; F346-V349 PolarHBondContact O-N 3.23Å; F346-M350 HydrophobicContact CD2-CG 3.78Å; F346-M350 HydrophobicContact CE1-CG 4.44Å; F346-M350 HydrophobicContact CE2-CE 4.06Å; F346-M350 HydrophobicContact CE2-CG 3.57Å; F346-M350 HydrophobicContact CE2-SD 4.22Å; F346-M350 HydrophobicContact CG-CG 4.32Å; F346-M350 HydrophobicContact CZ-CE 4.19Å; F346-M350 HydrophobicContact CZ-CG 3.93Å; F346-M350 WeakPolarHBondContact O-CB 3.38Å; F346-M350 WeakPolarHBondContact O-CG 3.36Å; F346-M350 PolarHBondContact O-N 3.09Å
347	I	79.9	Confident	67.7	Low	10 Å²	10	54.7 Å²	54.7	5%	0.051	32%	0.316	C	S	.	.	H	α-helix	trans	-63.9	-43.8	-178.5	-65.6	-60.1	0	0	0	111	M287 E291 L294 Y343 E345 V349 M350 K351	M287-I347 HydrophobicContact CE-CD1 3.94Å; E291-I347 HydrophobicContact CB-CD1 3.92Å; E291-I347 HydrophobicContact CG-CD1 4.1Å; E291-I347 HydrophobicContact CG-CG1 4.4Å; E291-I347 HydrophobicContact CG-CG2 4.07Å; L294-I347 HydrophobicContact CD1-CD1 4.27Å; Y343-I347 HydrophobicContact CD1-CG1 4.49Å; Y343-I347 HydrophobicContact CD2-CG1 4.07Å; Y343-I347 HydrophobicContact CE1-CG1 4.2Å; Y343-I347 HydrophobicContact CE2-CD1 4.28Å; Y343-I347 HydrophobicContact CE2-CG1 3.74Å; Y343-I347 HydrophobicContact CG-CG1 4.45Å; Y343-I347 WeakPolarHBondContact O-CB 3.48Å; Y343-I347 WeakPolarHBondContact O-CG1 3.34Å; Y343-I347 PolarHBondContact O-N 3.17Å; E345-I347 PolarHBondContact O-N 2.81Å; I347-V349 PolarHBondContact O-N 3.48Å; I347-M350 PolarHBondContact O-N 3.13Å; I347-K351 HydrophobicContact CG2-CD 3.91Å; I347-K351 HydrophobicContact CG2-CG 4.25Å; I347-K351 VanDerWaalsContact O-CB 3.28Å; I347-K351 WeakPolarHBondContact O-CB 3.5Å; I347-K351 WeakPolarHBondContact O-CG 3.42Å; I347-K351 PolarHBondContact O-N 3.02Å
348	K	65.7	Low	66.4	Low	155 Å²	155	51.3 Å²	51.3	67%	0.674	29%	0.287	S	S	*	.	H	α-helix	trans	-59.4	-49.4	179	-178.5	-177.2	177.3	-172.7	0	111.3	E344 E345 F346 C352	E344-K348 WeakPolarHBondContact O-CB 3.29Å; E344-K348 PolarHBondContact O-N 3.49Å; E345-K348 PolarHBondContact O-N 2.87Å; F346-K348 PolarHBondContact O-N 2.81Å; K348-C352 WeakPolarHBondContact O-CB 3.2Å; K348-C352 PolarHBondContact O-N 2.97Å; K348-C352 PolarHBondContact O-SG 3.49Å
349	V	62.6	Low	64.4	Low	45 Å²	45	49.9 Å²	49.9	27%	0.273	29%	0.293	S	S	.	.	H	α-helix	trans	-68.4	-45	-178.6	173.2	0	0	0	0	110.8	F333 E345 F346 I347 C352 N353	F333-V349 HydrophobicContact CE1-CB 3.77Å; F333-V349 HydrophobicContact CE1-CG1 4.07Å; F333-V349 HydrophobicContact CE1-CG2 3.95Å; F333-V349 HydrophobicContact CZ-CB 3.85Å; F333-V349 HydrophobicContact CZ-CG1 3.74Å; F333-V349 HydrophobicContact CZ-CG2 4.46Å; E345-V349 HydrophobicContact CG-CG2 4.31Å; E345-V349 WeakPolarHBondContact O-CB 3.43Å; E345-V349 VanDerWaalsContact O-CG2 3.32Å; E345-V349 WeakPolarHBondContact O-CG2 3.32Å; E345-V349 PolarHBondContact O-N 2.92Å; F346-V349 PolarHBondContact O-N 3.23Å; I347-V349 PolarHBondContact O-N 3.48Å; V349-C352 PolarHBondContact O-N 2.98Å; V349-N353 VanDerWaalsContact O-CG 3.27Å; V349-N353 PolarHBondContact O-N 3.05Å; V349-N353 PolarHBondContact O-ND2 3.45Å; V349-N353 VanDerWaalsContact O-ND2 3.1Å
350	M	69.3	Low	62.7	Low	3 Å²	3	50.9 Å²	50.9	2%	0.015	31%	0.306	C	S	.	.	H	α-helix	trans	-66.7	-42.1	-177.7	-68.5	-68.5	-83.6	0	0	112.2	F280 L283 L284 M287 L329 F346 I347 N353 V354	F280-M350 HydrophobicContact CE2-CE 3.68Å; F280-M350 HydrophobicContact CE2-SD 4.11Å; F280-M350 HydrophobicContact CZ-CE 4.05Å; F280-M350 HydrophobicContact CZ-SD 4.07Å; L283-M350 HydrophobicContact CD2-CE 4.34Å; L284-M350 HydrophobicContact CD2-CB 4.26Å; L284-M350 HydrophobicContact CD2-CE 3.42Å; L284-M350 VanDerWaalsContact CD2-CE 3.42Å; L284-M350 HydrophobicContact CD2-SD 3.74Å; L284-M350 HydrophobicContact CG-CE 3.96Å; M287-M350 HydrophobicContact CE-CB 3.36Å; M287-M350 HydrophobicContact CE-CG 4.17Å; M287-M350 HydrophobicContact CG-CB 4.4Å; M287-M350 HydrophobicContact SD-CB 3.8Å; M287-M350 HydrophobicContact SD-CE 3.89Å; M287-M350 HydrophobicContact SD-CG 4.41Å; L329-M350 HydrophobicContact CD2-CE 4.4Å; L329-M350 HydrophobicContact CD2-SD 4.44Å; F346-M350 HydrophobicContact CD2-CG 3.78Å; F346-M350 HydrophobicContact CE1-CG 4.44Å; F346-M350 HydrophobicContact CE2-CE 4.06Å; F346-M350 HydrophobicContact CE2-CG 3.57Å; F346-M350 HydrophobicContact CE2-SD 4.22Å; F346-M350 HydrophobicContact CG-CG 4.32Å; F346-M350 HydrophobicContact CZ-CE 4.19Å; F346-M350 HydrophobicContact CZ-CG 3.93Å; F346-M350 WeakPolarHBondContact O-CB 3.38Å; F346-M350 WeakPolarHBondContact O-CG 3.36Å; F346-M350 PolarHBondContact O-N 3.09Å; I347-M350 PolarHBondContact O-N 3.13Å; M350-N353 WeakPolarHBondContact O-CB 3.45Å; M350-N353 PolarHBondContact O-N 2.98Å; M350-N353 VanDerWaalsContact O-N 3.1Å; M350-V354 WeakPolarHBondContact O-CG2 3.48Å; M350-V354 PolarHBondContact O-N 3.1Å
351	K	66.4	Low	60.6	Low	74 Å²	74	56.7 Å²	56.7	32%	0.322	34%	0.335	S	S	.	.	H	α-helix	trans	-65.5	-40.2	175.5	-78.9	-171.6	163.7	-175.6	0	113.3	E291 I347 N353 V354	E291-K351 VanDerWaalsContact CD-CE 3.49Å; E291-K351 WeakPolarHBondContact OE1-CE 3.3Å; E291-K351 IonicContact OE1-NZ 2.77Å; E291-K351 PolarHBondContact OE1-NZ 3.14Å; E291-K351 VanDerWaalsContact OE2-CE 3.29Å; E291-K351 WeakPolarHBondContact OE2-CE 3.28Å; E291-K351 IonicContact OE2-NZ 2.56Å; E291-K351 PolarHBondContact OE2-NZ 2.98Å; I347-K351 HydrophobicContact CG2-CD 3.91Å; I347-K351 HydrophobicContact CG2-CG 4.25Å; I347-K351 VanDerWaalsContact O-CB 3.28Å; I347-K351 WeakPolarHBondContact O-CB 3.5Å; I347-K351 WeakPolarHBondContact O-CG 3.42Å; I347-K351 PolarHBondContact O-N 3.02Å; K351-N353 PolarHBondContact O-N 2.84Å; K351-V354 PolarHBondContact O-N 3.45Å
352	C	53.8	Low	58.6	Low	83 Å²	83	59 Å²	59	56%	0.561	34%	0.343	S	S	*	.	H	α-helix	trans	-57.8	-30.8	173.2	-71.4	0	0	0	0	111.8	K348 V349	K348-C352 WeakPolarHBondContact O-CB 3.2Å; K348-C352 PolarHBondContact O-N 2.97Å; K348-C352 PolarHBondContact O-SG 3.49Å; V349-C352 PolarHBondContact O-N 2.98Å
353	N	51.3	Low	56.7	Low	48 Å²	48	60.9 Å²	60.9	26%	0.257	35%	0.351	S	S	.	.	H	α-helix	trans	-80.9	-23	-179.3	-74.9	-35.5	0	0	0	114.6	K237 L284 V349 M350 K351 G355 F356	K237-N353 PolarHBondContact NZ-OD1 2.9Å; L284-N353 HydrophobicContact CD2-CB 4.35Å; V349-N353 VanDerWaalsContact O-CG 3.27Å; V349-N353 PolarHBondContact O-N 3.05Å; V349-N353 PolarHBondContact O-ND2 3.45Å; V349-N353 VanDerWaalsContact O-ND2 3.1Å; M350-N353 WeakPolarHBondContact O-CB 3.45Å; M350-N353 PolarHBondContact O-N 2.98Å; M350-N353 VanDerWaalsContact O-N 3.1Å; K351-N353 PolarHBondContact O-N 2.84Å; N353-G355 VanDerWaalsContact C-N 3.27Å; N353-G355 PolarHBondContact O-N 3.02Å; N353-F356 PolarHBondContact O-N 3.47Å
354	V	52.6	Low	54.6	Low	67 Å²	67	60.6 Å²	60.6	41%	0.406	35%	0.353	S	S	.	.	H	α-helix	trans	-62.5	-35.5	177.4	-178.8	0	0	0	0	111.7	L284 M287 M350 K351	L284-V354 HydrophobicContact CD2-CG2 4.45Å; L284-V354 WeakPolarHBondContact O-CG2 3.2Å; M287-V354 HydrophobicContact CB-CG2 3.93Å; M287-V354 HydrophobicContact CG-CG2 3.77Å; M350-V354 WeakPolarHBondContact O-CG2 3.48Å; M350-V354 PolarHBondContact O-N 3.1Å; K351-V354 PolarHBondContact O-N 3.45Å
355	G	45.5	Very low	52.9	Low	31 Å²	31	62.5 Å²	62.5	32%	0.32	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	6.4	-180	0	0	0	0	0	115	N353 G357 L358	N353-G355 VanDerWaalsContact C-N 3.27Å; N353-G355 PolarHBondContact O-N 3.02Å; G355-G357 PolarHBondContact O-N 2.87Å; G355-L358 WeakPolarHBondContact O-CA 3.25Å; G355-L358 VanDerWaalsContact O-CB 3.31Å; G355-L358 WeakPolarHBondContact O-CB 3.36Å; G355-L358 PolarHBondContact O-N 3.32Å
356	F	48.4	Very low	51.4	Low	45 Å²	45	63.7 Å²	63.7	20%	0.197	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	19.5	-172.4	-65.3	-83.5	0	0	0	115.1	F229 F232 V233 N353 L358	F229-F356 HydrophobicContact CD2-CE2 4.12Å; F229-F356 AromaticContact CD2-CZ 3.75Å; F229-F356 HydrophobicContact CD2-CZ 3.75Å; F229-F356 HydrophobicContact CE1-CZ 4.38Å; F229-F356 AromaticContact CE2-CE2 3.35Å; F229-F356 HydrophobicContact CE2-CE2 3.35Å; F229-F356 AromaticContact CE2-CZ 3.22Å; F229-F356 HydrophobicContact CE2-CZ 3.22Å; F229-F356 AromaticContact CZ-CE2 3.9Å; F229-F356 HydrophobicContact CZ-CE2 3.9Å; F229-F356 AromaticContact CZ-CZ 3.55Å; F229-F356 HydrophobicContact CZ-CZ 3.55Å; F232-F356 HydrophobicContact CD1-CE1 4.1Å; F232-F356 HydrophobicContact CE1-CD1 4.22Å; F232-F356 HydrophobicContact CE1-CE1 4.01Å; V233-F356 HydrophobicContact CG1-CE1 4.4Å; V233-F356 HydrophobicContact CG2-CE1 3.64Å; V233-F356 HydrophobicContact CG2-CZ 3.88Å; N353-F356 PolarHBondContact O-N 3.47Å; F356-L358 HydrophobicContact CB-CD1 4.11Å; F356-L358 HydrophobicContact CB-CG 4.15Å; F356-L358 PolarHBondContact O-N 3.26Å
357	G	43.4	Very low	49.5	Very low	43 Å²	43	67.6 Å²	67.6	44%	0.443	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	12.4	-167.7	0	0	0	0	0	114.6	G355 G359 R362	G355-G357 PolarHBondContact O-N 2.87Å; G357-G359 VanDerWaalsContact C-N 3.34Å; G357-R362 PolarHBondContact O-NH2 2.89Å
358	L	42.6	Very low	47.7	Very low	11 Å²	11	68.9 Å²	68.9	6%	0.058	40%	0.403	C	S	.	.			trans	-88	-4.7	170.7	-59.4	172.7	0	0	0	112	L123 S172 G355 F356 S360	L123-L358 HydrophobicContact CD2-CD1 4.32Å; L123-L358 HydrophobicContact CD2-CD2 4.24Å; S172-L358 WeakPolarHBondContact OG-CD1 3.48Å; G355-L358 WeakPolarHBondContact O-CA 3.25Å; G355-L358 VanDerWaalsContact O-CB 3.31Å; G355-L358 WeakPolarHBondContact O-CB 3.36Å; G355-L358 PolarHBondContact O-N 3.32Å; F356-L358 HydrophobicContact CB-CD1 4.11Å; F356-L358 HydrophobicContact CB-CG 4.15Å; F356-L358 PolarHBondContact O-N 3.26Å; L358-S360 PolarHBondContact O-N 3.01Å
359	G	39	Very low	46.6	Very low	57 Å²	57	62.8 Å²	62.8	59%	0.588	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	114.5	178.4	0	0	0	0	0	113.9	G357	G357-G359 VanDerWaalsContact C-N 3.34Å
360	S	41.2	Very low	45.8	Very low	104 Å²	104	62.6 Å²	62.6	73%	0.727	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.2	-37.8	163.8	104.5	0	0	0	0	117.7	L358	L358-S360 PolarHBondContact O-N 3.01Å
361	N	38.5	Very low	44.8	Very low	136 Å²	136	67 Å²	67	73%	0.727	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.4	-3.3	-177.6	-73.9	-23.2	0	0	0	116
362	R	41.1	Very low	43.8	Very low	59 Å²	59	63.6 Å²	63.6	22%	0.223	38%	0.382	C	S	.	.			trans	-126.6	1.4	-168.9	-83	-161.7	-83.8	155.1	-7.2	117.2	R82 M83 G357 P364	R82-R362 WeakPolarHBondContact O-CD 3.07Å; R82-R362 PolarHBondContact O-NE 3.29Å; R82-R362 PolarHBondContact O-NH1 3.08Å; M83-R362 VanDerWaalsContact CA-NE 3.29Å; M83-R362 VanDerWaalsContact CA-NH2 3.3Å; M83-R362 VanDerWaalsContact O-CD 3.22Å; M83-R362 WeakPolarHBondContact O-CD 3.47Å; M83-R362 WeakPolarHBondContact O-CG 3.05Å; M83-R362 PolarHBondContact O-NE 3.35Å; G357-R362 PolarHBondContact O-NH2 2.89Å; R362-P364 WeakPolarHBondContact O-CD 3.19Å
363	T	39.1	Very low	43.5	Very low	77 Å²	77	61.4 Å²	61.4	47%	0.472	37%	0.365	S	S	.	.	S	Bend	trans	-60.4	118.7	162.9	47.1	0	0	0	0	106.4	K365	T363-K365 VanDerWaalsContact C-N 3.29Å; T363-K365 PolarHBondContact O-N 3.42Å
364	P	40.1	Very low	43.7	Very low	21 Å²	21	67.8 Å²	67.8	14%	0.136	39%	0.385	C	S	.	.			trans	-50.9	113.1	157.5	19	-25.5	0	0	0	103.8	I165 R362 L366 A368	I165-P364 HydrophobicContact CD1-CG 4.41Å; I165-P364 HydrophobicContact CG2-CB 4.41Å; I165-P364 HydrophobicContact CG2-CG 4.09Å; R362-P364 WeakPolarHBondContact O-CD 3.19Å; P364-L366 PolarHBondContact O-N 3.13Å; P364-A368 HydrophobicContact CB-CB 3.54Å
365	K	42	Very low	43.6	Very low	163 Å²	163	70.9 Å²	70.9	71%	0.709	39%	0.393	S	S	*	.			trans	-42	139.1	168.4	-69.5	-179.8	-178.8	-179	0	105.1	T363 T367 A368	T363-K365 VanDerWaalsContact C-N 3.29Å; T363-K365 PolarHBondContact O-N 3.42Å; K365-T367 VanDerWaalsContact CB-OG1 3.26Å; K365-T367 WeakPolarHBondContact CB-OG1 3.34Å; K365-T367 CarbonylContact O-C 3.51Å; K365-T367 WeakPolarHBondContact O-CA 3.35Å; K365-T367 PolarHBondContact O-N 3.5Å; K365-T367 PolarHBondContact O-OG1 3.31Å; K365-A368 PolarHBondContact O-N 2.99Å
366	L	38.2	Very low	43.7	Very low	105 Å²	105	70.6 Å²	70.6	55%	0.55	39%	0.386	S	S	.	.	H	α-helix	trans	-41.9	-31.3	-176.5	-113.5	100.4	0	0	0	112.5	P364 A368 M369 F370	P364-L366 PolarHBondContact O-N 3.13Å; L366-A368 PolarHBondContact O-N 2.85Å; L366-M369 HydrophobicContact CD2-CE 4.16Å; L366-M369 HydrophobicContact CG-CE 4.25Å; L366-M369 WeakPolarHBondContact O-CB 3.41Å; L366-M369 PolarHBondContact O-N 2.91Å; L366-M369 VanDerWaalsContact O-N 3.14Å; L366-F370 HydrophobicContact CB-CD2 4.35Å; L366-F370 HydrophobicContact CB-CE2 3.76Å; L366-F370 HydrophobicContact CB-CZ 4.49Å; L366-F370 HydrophobicContact CD2-CE2 3.63Å; L366-F370 HydrophobicContact CD2-CZ 3.55Å; L366-F370 HydrophobicContact CG-CE2 4.19Å; L366-F370 HydrophobicContact CG-CZ 4.44Å; L366-F370 WeakPolarHBondContact O-CD2 3.2Å; L366-F370 WeakPolarHBondContact O-CE2 3.42Å; L366-F370 WeakPolarHBondContact O-CG 3.26Å; L366-F370 PolarHBondContact O-N 2.91Å
367	T	39.5	Very low	43.5	Very low	83 Å²	83	71.8 Å²	71.8	51%	0.509	39%	0.394	S	S	.	.	H	α-helix	trans	-44.8	-46.7	166.5	62.6	0	0	0	0	116.3	K365 F370 D371	K365-T367 VanDerWaalsContact CB-OG1 3.26Å; K365-T367 WeakPolarHBondContact CB-OG1 3.34Å; K365-T367 CarbonylContact O-C 3.51Å; K365-T367 WeakPolarHBondContact O-CA 3.35Å; K365-T367 PolarHBondContact O-N 3.5Å; K365-T367 PolarHBondContact O-OG1 3.31Å; T367-F370 WeakPolarHBondContact O-CB 3.18Å; T367-F370 PolarHBondContact O-N 3.33Å; T367-D371 PolarHBondContact O-N 3.5Å
368	A	42.5	Very low	44.5	Very low	36 Å²	36	73.1 Å²	73.1	30%	0.298	39%	0.393	S	S	.	.	H	α-helix	trans	-75.2	-28.4	178.9	0	0	0	0	0	112.9	P364 K365 L366 A372	P364-A368 HydrophobicContact CB-CB 3.54Å; K365-A368 PolarHBondContact O-N 2.99Å; L366-A368 PolarHBondContact O-N 2.85Å; A368-A372 WeakPolarHBondContact O-CB 3.42Å; A368-A372 PolarHBondContact O-N 3.5Å; A368-A372 VanDerWaalsContact O-N 3.08Å
369	M	42.7	Very low	45	Very low	28 Å²	28	77.9 Å²	77.9	14%	0.138	41%	0.411	C	S	.	.	H	α-helix	trans	-63.3	-44	165.8	-178.6	-169.1	74.1	0	0	110.3	I165 T169 L366 A372 L373	I165-M369 HydrophobicContact CG2-CB 4.07Å; I165-M369 HydrophobicContact CG2-CG 4.48Å; T169-M369 HydrophobicContact CG2-SD 3.92Å; L366-M369 HydrophobicContact CD2-CE 4.16Å; L366-M369 HydrophobicContact CG-CE 4.25Å; L366-M369 WeakPolarHBondContact O-CB 3.41Å; L366-M369 PolarHBondContact O-N 2.91Å; L366-M369 VanDerWaalsContact O-N 3.14Å; M369-A372 PolarHBondContact O-N 2.94Å; M369-L373 HydrophobicContact CE-CD1 4.33Å; M369-L373 HydrophobicContact CG-CD1 3.89Å; M369-L373 HydrophobicContact CG-CG 4.44Å; M369-L373 WeakPolarHBondContact O-CB 3.5Å; M369-L373 WeakPolarHBondContact O-CG 3.38Å; M369-L373 PolarHBondContact O-N 2.85Å; M369-L373 HydrophobicContact SD-CD1 4.47Å
370	F	45	Very low	45.7	Very low	40 Å²	40	79.6 Å²	79.6	18%	0.175	40%	0.404	C	S	.	.	H	α-helix	trans	-64.2	-41.9	177.6	-65.7	-54.6	0	0	0	113.3	A205 Q206 L366 T367 A372 L373 R374	A205-F370 HydrophobicContact CB-CE1 3.57Å; A205-F370 HydrophobicContact CB-CZ 3.57Å; A205-F370 WeakPolarHBondContact O-CZ 3.1Å; Q206-F370 HydrophobicContact CG-CD1 4.39Å; L366-F370 HydrophobicContact CB-CD2 4.35Å; L366-F370 HydrophobicContact CB-CE2 3.76Å; L366-F370 HydrophobicContact CB-CZ 4.49Å; L366-F370 HydrophobicContact CD2-CE2 3.63Å; L366-F370 HydrophobicContact CD2-CZ 3.55Å; L366-F370 HydrophobicContact CG-CE2 4.19Å; L366-F370 HydrophobicContact CG-CZ 4.44Å; L366-F370 WeakPolarHBondContact O-CD2 3.2Å; L366-F370 WeakPolarHBondContact O-CE2 3.42Å; L366-F370 WeakPolarHBondContact O-CG 3.26Å; L366-F370 PolarHBondContact O-N 2.91Å; T367-F370 WeakPolarHBondContact O-CB 3.18Å; T367-F370 PolarHBondContact O-N 3.33Å; F370-A372 VanDerWaalsContact C-N 3.32Å; F370-A372 PolarHBondContact O-N 3.44Å; F370-L373 PolarHBondContact O-N 3.19Å; F370-R374 VanDerWaalsContact O-CB 3.29Å; F370-R374 WeakPolarHBondContact O-CB 3.24Å; F370-R374 PolarHBondContact O-N 3.37Å
371	D	48.9	Very low	46.6	Very low	96 Å²	96	78.1 Å²	78.1	51%	0.513	39%	0.39	S	S	.	.	H	α-helix	trans	-63.9	-39	175.3	-83.6	-15.6	0	0	0	112.1	T367 K375	T367-D371 PolarHBondContact O-N 3.5Å; D371-K375 WeakPolarHBondContact O-CB 3.2Å; D371-K375 VanDerWaalsContact O-CG 3.31Å; D371-K375 WeakPolarHBondContact O-CG 3.47Å; D371-K375 PolarHBondContact O-N 2.81Å
372	A	44.9	Very low	47.6	Very low	2 Å²	2	77.3 Å²	77.3	2%	0.017	38%	0.382	C	S	.	.	H	α-helix	trans	-70.5	-43.4	179	0	0	0	0	0	111.3	F161 P162 I165 A368 M369 F370 R374 K375 C376	F161-A372 HydrophobicContact CE1-CB 4.31Å; P162-A372 HydrophobicContact CB-CB 4.21Å; P162-A372 WeakPolarHBondContact CB-O 3.26Å; P162-A372 HydrophobicContact CG-CB 4.49Å; P162-A372 VanDerWaalsContact CG-O 3.28Å; P162-A372 WeakPolarHBondContact CG-O 3.28Å; I165-A372 HydrophobicContact CB-CB 4.04Å; I165-A372 HydrophobicContact CG1-CB 4Å; I165-A372 HydrophobicContact CG2-CB 4.21Å; A368-A372 WeakPolarHBondContact O-CB 3.42Å; A368-A372 PolarHBondContact O-N 3.5Å; A368-A372 VanDerWaalsContact O-N 3.08Å; M369-A372 PolarHBondContact O-N 2.94Å; F370-A372 VanDerWaalsContact C-N 3.32Å; F370-A372 PolarHBondContact O-N 3.44Å; A372-R374 PolarHBondContact O-N 2.88Å; A372-K375 PolarHBondContact O-N 3.02Å; A372-C376 WeakPolarHBondContact O-CB 3.39Å; A372-C376 PolarHBondContact O-N 3.17Å
373	L	47.7	Very low	48.4	Very low	38 Å²	38	76.7 Å²	76.7	20%	0.199	39%	0.385	C	S	.	.	H	α-helix	trans	-60.2	-43.7	173	-76.9	168.2	0	0	0	111.8	M369 F370 C376 L377	M369-L373 HydrophobicContact CE-CD1 4.33Å; M369-L373 HydrophobicContact CG-CD1 3.89Å; M369-L373 HydrophobicContact CG-CG 4.44Å; M369-L373 WeakPolarHBondContact O-CB 3.5Å; M369-L373 WeakPolarHBondContact O-CG 3.38Å; M369-L373 PolarHBondContact O-N 2.85Å; M369-L373 HydrophobicContact SD-CD1 4.47Å; F370-L373 PolarHBondContact O-N 3.19Å; L373-C376 PolarHBondContact O-N 3.07Å; L373-L377 WeakPolarHBondContact O-CB 3.25Å; L373-L377 PolarHBondContact O-N 3.01Å
374	R	54.1	Low	49	Very low	181 Å²	181	75.7 Å²	75.7	68%	0.683	38%	0.384	S	S	*	.	H	α-helix	trans	-59.2	-48.3	175.2	179.2	-179	168.9	138.3	0.5	111.2	F370 A372 C376 L377 V378	F370-R374 VanDerWaalsContact O-CB 3.29Å; F370-R374 WeakPolarHBondContact O-CB 3.24Å; F370-R374 PolarHBondContact O-N 3.37Å; A372-R374 PolarHBondContact O-N 2.88Å; R374-C376 VanDerWaalsContact C-N 3.33Å; R374-C376 PolarHBondContact O-N 3.15Å; R374-L377 PolarHBondContact O-N 3.45Å; R374-V378 HydrophobicContact CG-CG2 4.47Å; R374-V378 VanDerWaalsContact O-CG2 3.31Å; R374-V378 WeakPolarHBondContact O-CG2 3.4Å; R374-V378 PolarHBondContact O-N 3Å
375	K	52.3	Low	49.6	Very low	132 Å²	132	80.5 Å²	80.5	57%	0.574	41%	0.406	S	S	*	.	H	α-helix	trans	-62.7	-39.6	178.6	-74.8	173.5	-178.4	175.5	0	112.1	D371 A372 W379	D371-K375 WeakPolarHBondContact O-CB 3.2Å; D371-K375 VanDerWaalsContact O-CG 3.31Å; D371-K375 WeakPolarHBondContact O-CG 3.47Å; D371-K375 PolarHBondContact O-N 2.81Å; A372-K375 PolarHBondContact O-N 3.02Å; K375-W379 WeakPolarHBondContact O-CB 3.46Å; K375-W379 PolarHBondContact O-N 3.21Å
376	C	45.9	Very low	50.3	Low	25 Å²	25	76.5 Å²	76.5	17%	0.169	40%	0.399	C	S	.	.	H	α-helix	trans	-64.3	-41.3	175.6	-144.4	0	0	0	0	112	P162 A372 L373 R374 W379 Q380	P162-C376 HydrophobicContact CB-CB 3.52Å; P162-C376 HydrophobicContact CG-CB 3.58Å; A372-C376 WeakPolarHBondContact O-CB 3.39Å; A372-C376 PolarHBondContact O-N 3.17Å; L373-C376 PolarHBondContact O-N 3.07Å; R374-C376 VanDerWaalsContact C-N 3.33Å; R374-C376 PolarHBondContact O-N 3.15Å; C376-W379 PolarHBondContact O-N 3.43Å; C376-Q380 WeakPolarHBondContact O-CB 3.33Å; C376-Q380 WeakPolarHBondContact O-CG 3.35Å; C376-Q380 PolarHBondContact O-N 3.2Å
377	L	45.2	Very low	50.7	Low	71 Å²	71	80.8 Å²	80.8	37%	0.372	41%	0.407	S	S	.	.	H	α-helix	trans	-67.9	-45.1	179.7	-155.8	97.1	0	0	0	111.3	L373 R374 W379 Q380 V381	L373-L377 WeakPolarHBondContact O-CB 3.25Å; L373-L377 PolarHBondContact O-N 3.01Å; R374-L377 PolarHBondContact O-N 3.45Å; L377-W379 VanDerWaalsContact C-N 3.25Å; L377-W379 PolarHBondContact O-N 2.98Å; L377-Q380 PolarHBondContact O-N 3.23Å; L377-V381 WeakPolarHBondContact O-CB 3.37Å; L377-V381 VanDerWaalsContact O-CG2 3.29Å; L377-V381 WeakPolarHBondContact O-CG2 3.35Å; L377-V381 PolarHBondContact O-N 3.01Å
378	V	64.1	Low	51	Low	70 Å²	70	87.1 Å²	87.1	42%	0.424	42%	0.422	S	S	.	.	H	α-helix	trans	-57.7	-43.2	174.5	171.6	0	0	0	0	110.2	R374 V381 Q382	R374-V378 HydrophobicContact CG-CG2 4.47Å; R374-V378 VanDerWaalsContact O-CG2 3.31Å; R374-V378 WeakPolarHBondContact O-CG2 3.4Å; R374-V378 PolarHBondContact O-N 3Å; V378-V381 PolarHBondContact O-N 3.45Å; V378-Q382 HydrophobicContact CG1-CG 4.5Å; V378-Q382 WeakPolarHBondContact O-CB 3.36Å; V378-Q382 WeakPolarHBondContact O-CG 3.47Å; V378-Q382 PolarHBondContact O-N 3.45Å
379	W	52.8	Low	51.6	Low	111 Å²	111	90.7 Å²	90.7	42%	0.42	44%	0.444	S	S	.	.	H	α-helix	trans	-65	-45.4	177.2	-172	86.6	0	0	0	112.4	E111 K375 C376 L377 V381 Q382 V383	E111-W379 PolarHBondContact OE1-NE1 3.23Å; K375-W379 WeakPolarHBondContact O-CB 3.46Å; K375-W379 PolarHBondContact O-N 3.21Å; C376-W379 PolarHBondContact O-N 3.43Å; L377-W379 VanDerWaalsContact C-N 3.25Å; L377-W379 PolarHBondContact O-N 2.98Å; W379-V381 PolarHBondContact O-N 3.38Å; W379-Q382 PolarHBondContact O-N 2.94Å; W379-V383 HydrophobicContact CD2-CG2 3.99Å; W379-V383 HydrophobicContact CE3-CG2 4.15Å; W379-V383 HydrophobicContact CH2-CG2 4.17Å; W379-V383 HydrophobicContact CZ2-CG2 4Å; W379-V383 HydrophobicContact CZ3-CG2 4.23Å; W379-V383 WeakPolarHBondContact O-CB 3.2Å; W379-V383 VanDerWaalsContact O-CG2 3.27Å; W379-V383 WeakPolarHBondContact O-CG2 3.06Å; W379-V383 PolarHBondContact O-N 3.41Å
380	Q	54	Low	51.9	Low	94 Å²	94	92.6 Å²	92.6	44%	0.439	47%	0.471	S	S	.	.	H	α-helix	trans	-62.9	-40.8	176.7	-76.9	-177.8	-17.2	0	0	112.5	C376 L377 V383 A384	C376-Q380 WeakPolarHBondContact O-CB 3.33Å; C376-Q380 WeakPolarHBondContact O-CG 3.35Å; C376-Q380 PolarHBondContact O-N 3.2Å; L377-Q380 PolarHBondContact O-N 3.23Å; Q380-V383 PolarHBondContact O-N 3.44Å; Q380-A384 VanDerWaalsContact O-CB 3.3Å; Q380-A384 WeakPolarHBondContact O-CB 3.5Å; Q380-A384 PolarHBondContact O-N 3.05Å
381	V	59.8	Low	51.6	Low	73 Å²	73	101.5 Å²	101.5	44%	0.442	51%	0.513	S	S	.	.	H	α-helix	trans	-65.7	-44.2	175.9	171.1	0	0	0	0	110.5	L377 V378 W379 V383 A384 M385	L377-V381 WeakPolarHBondContact O-CB 3.37Å; L377-V381 VanDerWaalsContact O-CG2 3.29Å; L377-V381 WeakPolarHBondContact O-CG2 3.35Å; L377-V381 PolarHBondContact O-N 3.01Å; V378-V381 PolarHBondContact O-N 3.45Å; W379-V381 PolarHBondContact O-N 3.38Å; V381-V383 PolarHBondContact O-N 3.3Å; V381-A384 PolarHBondContact O-N 3.34Å; V381-M385 HydrophobicContact CG1-CG 4.18Å; V381-M385 HydrophobicContact CG1-SD 3.9Å; V381-M385 WeakPolarHBondContact O-CB 3.32Å; V381-M385 VanDerWaalsContact O-CG 3.28Å; V381-M385 WeakPolarHBondContact O-CG 3.46Å; V381-M385 PolarHBondContact O-N 2.96Å
382	Q	60.6	Low	51.7	Low	118 Å²	118	101.8 Å²	101.8	55%	0.551	51%	0.513	S	S	*	.	H	α-helix	trans	-60.9	-45.2	175.5	-78.8	177.6	-45	0	0	111.6	V378 W379 A384 M385 S386	V378-Q382 HydrophobicContact CG1-CG 4.5Å; V378-Q382 WeakPolarHBondContact O-CB 3.36Å; V378-Q382 WeakPolarHBondContact O-CG 3.47Å; V378-Q382 PolarHBondContact O-N 3.45Å; W379-Q382 PolarHBondContact O-N 2.94Å; Q382-A384 VanDerWaalsContact C-N 3.35Å; Q382-A384 PolarHBondContact O-N 3.07Å; Q382-M385 PolarHBondContact O-N 3.47Å; Q382-S386 WeakPolarHBondContact O-CB 3.47Å; Q382-S386 PolarHBondContact O-N 3.15Å; Q382-S386 PolarHBondContact O-OG 3.11Å
383	V	57.9	Low	52.1	Low	47 Å²	47	107 Å²	107	29%	0.285	54%	0.539	S	S	.	.	H	α-helix	trans	-63.5	-39.6	176.9	172.4	0	0	0	0	111.7	W379 Q380 V381 R387	W379-V383 HydrophobicContact CD2-CG2 3.99Å; W379-V383 HydrophobicContact CE3-CG2 4.15Å; W379-V383 HydrophobicContact CH2-CG2 4.17Å; W379-V383 HydrophobicContact CZ2-CG2 4Å; W379-V383 HydrophobicContact CZ3-CG2 4.23Å; W379-V383 WeakPolarHBondContact O-CB 3.2Å; W379-V383 VanDerWaalsContact O-CG2 3.27Å; W379-V383 WeakPolarHBondContact O-CG2 3.06Å; W379-V383 PolarHBondContact O-N 3.41Å; Q380-V383 PolarHBondContact O-N 3.44Å; V381-V383 PolarHBondContact O-N 3.3Å; V383-R387 WeakPolarHBondContact O-CG 3.37Å; V383-R387 PolarHBondContact O-N 2.99Å; V383-R387 VanDerWaalsContact O-N 3.17Å
384	A	50.9	Low	52.4	Low	56 Å²	56	110.8 Å²	110.8	46%	0.463	56%	0.558	S	S	.	*	H	α-helix	trans	-68	-44.8	176.4	0	0	0	0	0	112.1	Q380 V381 Q382 S386 R387 W388	Q380-A384 VanDerWaalsContact O-CB 3.3Å; Q380-A384 WeakPolarHBondContact O-CB 3.5Å; Q380-A384 PolarHBondContact O-N 3.05Å; V381-A384 PolarHBondContact O-N 3.34Å; Q382-A384 VanDerWaalsContact C-N 3.35Å; Q382-A384 PolarHBondContact O-N 3.07Å; A384-S386 PolarHBondContact O-N 2.73Å; A384-R387 PolarHBondContact O-N 3.09Å; A384-R387 VanDerWaalsContact O-N 3.14Å; A384-W388 PolarHBondContact O-N 3.5Å
385	M	53.4	Low	52.2	Low	122 Å²	122	106.7 Å²	106.7	60%	0.601	55%	0.55	S	S	*	*	H	α-helix	trans	-65	-37.9	177	-70.2	-174.3	92	0	0	111.9	V381 Q382 R387 W388 C389	V381-M385 HydrophobicContact CG1-CG 4.18Å; V381-M385 HydrophobicContact CG1-SD 3.9Å; V381-M385 WeakPolarHBondContact O-CB 3.32Å; V381-M385 VanDerWaalsContact O-CG 3.28Å; V381-M385 WeakPolarHBondContact O-CG 3.46Å; V381-M385 PolarHBondContact O-N 2.96Å; Q382-M385 PolarHBondContact O-N 3.47Å; M385-R387 VanDerWaalsContact C-N 3.27Å; M385-R387 PolarHBondContact O-N 3.26Å; M385-W388 PolarHBondContact O-N 3.05Å; M385-C389 PolarHBondContact O-N 3.4Å
386	S	55.9	Low	52.2	Low	79 Å²	79	105.1 Å²	105.1	55%	0.552	55%	0.549	S	S	*	.	H	α-helix	trans	-66.1	-27.6	173.5	-62.5	0	0	0	0	113.2	Q382 A384	Q382-S386 WeakPolarHBondContact O-CB 3.47Å; Q382-S386 PolarHBondContact O-N 3.15Å; Q382-S386 PolarHBondContact O-OG 3.11Å; A384-S386 PolarHBondContact O-N 2.73Å
387	R	46	Very low	52.7	Low	194 Å²	194	110.5 Å²	110.5	73%	0.732	57%	0.574	S	S	*	*	H	α-helix	trans	-78	-34.6	172	-76.1	-179.2	177.2	-178.3	-0.4	112.5	V383 A384 M385	V383-R387 WeakPolarHBondContact O-CG 3.37Å; V383-R387 PolarHBondContact O-N 2.99Å; V383-R387 VanDerWaalsContact O-N 3.17Å; A384-R387 PolarHBondContact O-N 3.09Å; A384-R387 VanDerWaalsContact O-N 3.14Å; M385-R387 VanDerWaalsContact C-N 3.27Å; M385-R387 PolarHBondContact O-N 3.26Å
388	W	46.8	Very low	53.2	Low	216 Å²	216	113.3 Å²	113.3	82%	0.818	59%	0.589	S	S	*	*	H	α-helix	trans	-78.9	-26.9	-178.9	-127	59.9	0	0	0	114	A384 M385 G390	A384-W388 PolarHBondContact O-N 3.5Å; M385-W388 PolarHBondContact O-N 3.05Å; W388-G390 VanDerWaalsContact C-N 3.33Å
389	C	53.9	Low	52.4	Low	112 Å²	112	116.6 Å²	116.6	76%	0.757	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	1.2	173.3	-70.9	0	0	0	0	113.7	M385	M385-C389 PolarHBondContact O-N 3.4Å
390	G	50	Low	52.3	Low	68 Å²	68	117.1 Å²	117.1	70%	0.701	62%	0.617	S	S	*	*			trans	-108.9	1.7	179.9	0	0	0	0	0	114.7	W388	W388-G390 VanDerWaalsContact C-N 3.33Å
391	E	38.9	Very low	52.2	Low	226 Å²	226	119.2 Å²	119.2	100%	1.056	63%	0.633	S	S	*	*			trans	-107	0	162.4	-73	179.1	173.2	0	0	108.2

Retrieved 391 of 391 residues in 440.8 ms (Link to these results)

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