A0A087XZB5_POEFO Loading...

Transcription factor A, mitochondrial

Binds to the mitochondrial light strand promoter and functions in mitochondrial transcription regulation. Component of the mitochondrial transcription initiation complex, composed at least of TFB2M, TFAM and POLRMT that is required for basal transcription of mitochondrial DNA. In this complex, TFAM recruits POLRMT to a specific promoter whereas TFB2M induces structural changes in POLRMT to enable promoter opening and trapping of the DNA non-template strand. Required for accurate and efficient promoter recognition by the mitochondrial RNA polymerase. Promotes transcription initiation from the HSP1 and the light strand promoter by binding immediately upstream of transcriptional start sites. Is able to unwind DNA. Bends the mitochondrial light strand promoter DNA into a U-turn shape via its HMG boxes. Required for maintenance of normal levels of mitochondrial DNA. May play a role in organizing and compacting mitochondrial DNA.

AlphaFold DB , UniProt , Accession A0A087XZB5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 298 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	41.6	Very low	47.6	Very low	249 Å²	249	148.8 Å²	148.8	100%	1.227	85%	0.846	S	S	*	*				0	95.1	0	-72.9	-65	174.7	0	0	107.8
2	A	45.6	Very low	47.6	Very low	86 Å²	86	146.8 Å²	146.8	71%	0.711	85%	0.847	S	S	*	*			trans	-124.6	133.7	173.8	0	0	0	0	0	106.6
3	P	64.6	Low	47.3	Very low	128 Å²	128	145.8 Å²	145.8	83%	0.831	84%	0.837	S	S	*	*			trans	-100.6	122.4	165.8	31.2	-22.9	0	0	0	110.7
4	Y	44.4	Very low	47.5	Very low	207 Å²	207	148.7 Å²	148.7	81%	0.812	84%	0.842	S	S	*	*			trans	-62.2	149	157.4	-69.1	-97.3	0	0	0	110.1
5	N	51.1	Low	47.3	Very low	172 Å²	172	143.8 Å²	143.8	92%	0.92	83%	0.828	S	S	*	*			trans	-143.7	132.3	150.1	-95	-26.9	0	0	0	110.7
6	L	42.7	Very low	47.1	Very low	145 Å²	145	150.2 Å²	150.2	76%	0.759	83%	0.834	S	S	*	*			trans	-93.8	151.3	-171.8	-88.2	144.3	0	0	0	111.9
7	L	42.2	Very low	47.1	Very low	145 Å²	145	146.7 Å²	146.7	76%	0.759	82%	0.822	S	S	*	*			trans	55.2	126.9	141.2	-66	165	0	0	0	120.7
8	T	46.3	Very low	46.7	Very low	143 Å²	143	149.6 Å²	149.6	88%	0.877	83%	0.825	S	S	*	*				-157	130.8	110.4	44.1	0	0	0	0	111
9	A	43.6	Very low	46.4	Very low	92 Å²	92	146.5 Å²	146.5	76%	0.76	82%	0.815	S	S	*	*			trans	-89	145.7	170.3	0	0	0	0	0	110.3
10	T	54.6	Low	46.4	Very low	140 Å²	140	143.3 Å²	143.3	86%	0.859	81%	0.808	S	S	*	*			trans	-133.4	118.4	160.4	51.3	0	0	0	0	110.1
11	V	47	Very low	46.3	Very low	130 Å²	130	146 Å²	146	79%	0.788	81%	0.811	S	S	*	*			trans	-68.3	139.3	170.3	173.4	0	0	0	0	109.1	L13	V11-L13 HydrophobicContact CG1-CB 4.27Å
12	S	47.8	Very low	46.3	Very low	124 Å²	124	144.3 Å²	144.3	87%	0.867	79%	0.793	S	S	*	*			trans	-135.4	119.2	154.6	-162.5	0	0	0	0	109.5
13	L	43.7	Very low	46.3	Very low	135 Å²	135	147.2 Å²	147.2	71%	0.707	80%	0.802	S	S	*	*			trans	-119.8	115.8	-172.9	-166.5	161.3	0	0	0	105	V11	V11-L13 HydrophobicContact CG1-CB 4.27Å
14	M	49.3	Very low	45.1	Very low	186 Å²	186	147.9 Å²	147.9	92%	0.916	80%	0.799	S	S	*	*			trans	-139.6	114.1	158.6	-90.2	-61.6	171.8	0	0	109.3
15	A	45.3	Very low	45.2	Very low	75 Å²	75	144.4 Å²	144.4	62%	0.62	80%	0.799	S	S	*	*			trans	-76.3	153.3	171.3	0	0	0	0	0	110.9
16	R	44.5	Very low	45	Very low	246 Å²	246	141.6 Å²	141.6	93%	0.928	79%	0.79	S	S	*	*			trans	-165.2	82.3	147.7	-107.8	166.9	172.6	-149.5	-4.6	111.5
17	S	46.9	Very low	45.3	Very low	91 Å²	91	139 Å²	139	64%	0.636	79%	0.79	S	S	*	*			trans	13.4	148.2	134.4	69.5	0	0	0	0	124.3
18	F	40.3	Very low	45.2	Very low	198 Å²	198	143.4 Å²	143.4	87%	0.868	80%	0.797	S	S	*	*			trans	72	136.3	156	-70	-77.4	0	0	0	116.9
19	S	40.5	Very low	44.9	Very low	92 Å²	92	143 Å²	143	64%	0.643	80%	0.798	S	S	*	*			cis	-159.9	151.3	22.1	43.7	0	0	0	0	110.9
20	A	46.5	Very low	44.8	Very low	82 Å²	82	144.2 Å²	144.2	68%	0.678	80%	0.796	S	S	*	*			trans	-70.3	141.1	170.7	0	0	0	0	0	112.3
21	F	44.6	Very low	44.2	Very low	199 Å²	199	142.1 Å²	142.1	87%	0.873	79%	0.787	S	S	*	*			trans	-138.6	118.5	147.8	-78.6	-74	0	0	0	109.3
22	Y	41.1	Very low	44	Very low	215 Å²	215	143 Å²	143	84%	0.843	79%	0.786	S	S	*	*			trans	-73.3	133.8	165.3	-99.3	-106.4	0	0	0	109.5
23	T	44.8	Very low	43.8	Very low	147 Å²	147	142.4 Å²	142.4	90%	0.902	78%	0.777	S	S	*	*			trans	-153.3	145.7	140.8	48.7	0	0	0	0	111.1
24	N	39.9	Very low	43.5	Very low	142 Å²	142	141.2 Å²	141.2	76%	0.759	78%	0.778	S	S	*	*			trans	-78.1	157	-169.7	-94.3	-45.6	0	0	0	115.9
25	T	46.8	Very low	43.3	Very low	133 Å²	133	137.2 Å²	137.2	82%	0.816	77%	0.769	S	S	*	*			trans	77	161.6	153.5	61.2	0	0	0	0	120.7
26	P	46.9	Very low	43.2	Very low	114 Å²	114	137.2 Å²	137.2	74%	0.74	77%	0.769	S	S	*	*				-129.1	164.6	-52.8	36.7	-21.3	0	0	0	113.3
27	A	47.9	Very low	43.1	Very low	91 Å²	91	132.7 Å²	132.7	75%	0.752	76%	0.763	S	S	*	*			trans	47.1	104.3	150.1	0	0	0	0	0	120.2
28	R	41.2	Very low	42.9	Very low	237 Å²	237	134.6 Å²	134.6	89%	0.894	77%	0.765	S	S	*	*			trans	-140.7	98.2	130.8	-98.2	-176.4	-179	156.7	1.4	109	T30	R28-T30 VanDerWaalsContact C-N 3.25Å; R28-T30 PolarHBondContact O-N 3.08Å
29	C	39.1	Very low	42.7	Very low	135 Å²	135	130.8 Å²	130.8	91%	0.912	75%	0.753	S	S	*	*			trans	-61.5	91.3	160	-74.5	0	0	0	0	108	S31	C29-S31 VanDerWaalsContact C-N 3.3Å; C29-S31 PolarHBondContact O-N 2.91Å; C29-S31 VanDerWaalsContact O-N 3.08Å
30	T	41.3	Very low	42.7	Very low	116 Å²	116	131.5 Å²	131.5	71%	0.712	76%	0.756	S	S	*	*			trans	-74.9	95.9	161.1	52	0	0	0	0	106.1	R28 I32	R28-T30 VanDerWaalsContact C-N 3.25Å; R28-T30 PolarHBondContact O-N 3.08Å; T30-I32 PolarHBondContact O-N 2.98Å
31	S	42.1	Very low	42.2	Very low	96 Å²	96	131.8 Å²	131.8	67%	0.671	75%	0.749	S	S	*	*			trans	-49.5	111	168.1	48.6	0	0	0	0	108	C29 V33	C29-S31 VanDerWaalsContact C-N 3.3Å; C29-S31 PolarHBondContact O-N 2.91Å; C29-S31 VanDerWaalsContact O-N 3.08Å; S31-V33 PolarHBondContact O-N 2.83Å
32	I	44.2	Very low	41.9	Very low	149 Å²	149	131.6 Å²	131.6	76%	0.764	75%	0.748	S	S	*	*			trans	-65.7	93	160.3	-64.6	172.2	0	0	0	104	T30 C34	T30-I32 PolarHBondContact O-N 2.98Å; I32-C34 PolarHBondContact O-N 3.25Å
33	V	42.8	Very low	42	Very low	111 Å²	111	127.7 Å²	127.7	67%	0.673	73%	0.733	S	S	*	*			trans	-64.3	95.7	165.2	-160	0	0	0	0	103.9	S31 S35	S31-V33 PolarHBondContact O-N 2.83Å; V33-S35 PolarHBondContact O-N 2.88Å
34	C	38.3	Very low	42.1	Very low	110 Å²	110	126.8 Å²	126.8	74%	0.743	72%	0.722	S	S	*	*			trans	-60.4	88.6	163.2	-73.8	0	0	0	0	106	I32 A36	I32-C34 PolarHBondContact O-N 3.25Å; C34-A36 PolarHBondContact O-N 2.98Å
35	S	44.3	Very low	42.1	Very low	103 Å²	103	125 Å²	125	72%	0.72	72%	0.716	S	S	*	*			trans	-63.4	80.3	165.2	-72.8	0	0	0	0	106.9	V33 N37	V33-S35 PolarHBondContact O-N 2.88Å; S35-N37 PolarHBondContact O-N 3.13Å
36	A	43.9	Very low	42	Very low	75 Å²	75	123 Å²	123	62%	0.62	71%	0.707	S	S	*	*			trans	-57	113.4	164.2	0	0	0	0	0	105.5	C34 I38	C34-A36 PolarHBondContact O-N 2.98Å; A36-I38 HydrophobicContact CB-CG1 4.47Å; A36-I38 PolarHBondContact O-N 3.48Å
37	N	41	Very low	42	Very low	150 Å²	150	123.8 Å²	123.8	80%	0.802	70%	0.701	S	S	*	*			trans	-60.4	82	165.7	-115.4	-51.6	0	0	0	107.2	S35 N39	S35-N37 PolarHBondContact O-N 3.13Å; N37-N39 PolarHBondContact O-N 2.74Å
38	I	42.8	Very low	42.2	Very low	132 Å²	132	126.2 Å²	126.2	68%	0.677	71%	0.707	S	S	*	*			trans	-70.3	84	164.6	-56.6	172.9	0	0	0	103.7	A36 P40	A36-I38 HydrophobicContact CB-CG1 4.47Å; A36-I38 PolarHBondContact O-N 3.48Å; I38-P40 WeakPolarHBondContact O-CD 3.34Å
39	N	37	Very low	43.1	Very low	117 Å²	117	119.2 Å²	119.2	63%	0.626	69%	0.694	S	S	*	*			trans	-48	116.8	156.6	-79.7	-65.6	0	0	0	105.4	N37 V41	N37-N39 PolarHBondContact O-N 2.74Å; N39-V41 PolarHBondContact O-N 3.15Å
40	P	39.8	Very low	44.7	Very low	107 Å²	107	114 Å²	114	70%	0.695	66%	0.664	S	S	*	*			trans	-68.6	85.7	169.4	29.5	-31.6	0	0	0	105	I38 K42	I38-P40 WeakPolarHBondContact O-CD 3.34Å; P40-K42 PolarHBondContact O-N 3.34Å; P40-K42 VanDerWaalsContact O-N 3.12Å
41	V	35.6	Very low	46.6	Very low	88 Å²	88	111.5 Å²	111.5	53%	0.533	65%	0.649	S	S	.	*			trans	-49.6	129.1	157.6	173.3	0	0	0	0	103.2	N39 Y43	N39-V41 PolarHBondContact O-N 3.15Å; V41-Y43 HydrophobicContact CB-CD1 3.56Å; V41-Y43 HydrophobicContact CB-CD2 4.49Å; V41-Y43 HydrophobicContact CB-CE1 3.22Å; V41-Y43 HydrophobicContact CB-CE2 4.15Å; V41-Y43 HydrophobicContact CB-CG 4.19Å; V41-Y43 VanDerWaalsContact CB-CZ 3.48Å; V41-Y43 HydrophobicContact CG1-CD1 3.41Å; V41-Y43 VanDerWaalsContact CG1-CD1 3.41Å; V41-Y43 HydrophobicContact CG1-CE1 3.58Å; V41-Y43 HydrophobicContact CG1-CG 4.13Å; V41-Y43 HydrophobicContact CG2-CD1 4.48Å; V41-Y43 HydrophobicContact CG2-CE1 3.77Å; V41-Y43 WeakPolarHBondContact O-CD2 3.48Å; V41-Y43 WeakPolarHBondContact O-CE2 3.44Å; V41-Y43 VanDerWaalsContact O-CG 3.31Å; V41-Y43 PolarHBondContact O-N 3.08Å
42	K	37.9	Very low	48.8	Very low	195 Å²	195	108.8 Å²	108.8	85%	0.848	63%	0.629	S	S	*	*			trans	-68.6	50.6	-177.8	-60.1	171.1	-178.4	177.3	0	110.3	P40 L44	P40-K42 PolarHBondContact O-N 3.34Å; P40-K42 VanDerWaalsContact O-N 3.12Å; K42-L44 VanDerWaalsContact C-N 3.35Å; K42-L44 PolarHBondContact O-N 2.96Å
43	Y	43.2	Very low	50.9	Low	134 Å²	134	106.9 Å²	106.9	53%	0.525	62%	0.615	S	S	.	*			trans	-69.3	98.6	168.9	8.9	-111.9	0	0	0	106.7	V41	V41-Y43 HydrophobicContact CB-CD1 3.56Å; V41-Y43 HydrophobicContact CB-CD2 4.49Å; V41-Y43 HydrophobicContact CB-CE1 3.22Å; V41-Y43 HydrophobicContact CB-CE2 4.15Å; V41-Y43 HydrophobicContact CB-CG 4.19Å; V41-Y43 VanDerWaalsContact CB-CZ 3.48Å; V41-Y43 HydrophobicContact CG1-CD1 3.41Å; V41-Y43 VanDerWaalsContact CG1-CD1 3.41Å; V41-Y43 HydrophobicContact CG1-CE1 3.58Å; V41-Y43 HydrophobicContact CG1-CG 4.13Å; V41-Y43 HydrophobicContact CG2-CD1 4.48Å; V41-Y43 HydrophobicContact CG2-CE1 3.77Å; V41-Y43 WeakPolarHBondContact O-CD2 3.48Å; V41-Y43 WeakPolarHBondContact O-CE2 3.44Å; V41-Y43 VanDerWaalsContact O-CG 3.31Å; V41-Y43 PolarHBondContact O-N 3.08Å
44	L	48.4	Very low	53.1	Low	128 Å²	128	111.6 Å²	111.6	67%	0.67	62%	0.621	S	S	*	*			trans	48.8	75.6	166.7	-69.6	90	0	0	0	113.3	K42 S46 K53	K42-L44 VanDerWaalsContact C-N 3.35Å; K42-L44 PolarHBondContact O-N 2.96Å; L44-S46 PolarHBondContact O-N 3.34Å; L44-K53 HydrophobicContact CD2-CD 3.89Å
45	T	39.1	Very low	55.8	Low	103 Å²	103	107.9 Å²	107.9	63%	0.632	60%	0.596	S	S	*	*			trans	-54.1	115	145.2	51.2	0	0	0	0	106.4	Q47 K53	T45-Q47 PolarHBondContact O-N 3.35Å; T45-K53 PolarHBondContact O-NZ 3.02Å
46	S	44.3	Very low	58.1	Low	92 Å²	92	106.2 Å²	106.2	64%	0.643	58%	0.578	S	S	*	*			trans	-58.8	93.9	154.3	45.7	0	0	0	0	104.8	L44 T48	L44-S46 PolarHBondContact O-N 3.34Å; S46-T48 VanDerWaalsContact C-N 3.29Å; S46-T48 PolarHBondContact O-N 3.37Å
47	Q	47.4	Very low	60.5	Low	130 Å²	130	107.7 Å²	107.7	61%	0.607	58%	0.576	S	S	*	*			trans	-53.3	108.3	157.8	-82.1	-82.8	59.5	0	0	104.6	T45 S49 G50	T45-Q47 PolarHBondContact O-N 3.35Å; Q47-S49 PolarHBondContact O-N 3.07Å; Q47-S49 VanDerWaalsContact O-N 3.13Å; Q47-G50 PolarHBondContact O-N 2.93Å; Q47-G50 VanDerWaalsContact O-N 3.14Å
48	T	52.1	Low	63	Low	142 Å²	142	100.6 Å²	100.6	87%	0.871	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-12.6	178.4	38.7	0	0	0	0	111.6	S46	S46-T48 VanDerWaalsContact C-N 3.29Å; S46-T48 PolarHBondContact O-N 3.37Å
49	S	60.8	Low	65.4	Low	91 Å²	91	97.2 Å²	97.2	64%	0.636	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	0.9	177.4	59.9	0	0	0	0	115.2	Q47	Q47-S49 PolarHBondContact O-N 3.07Å; Q47-S49 VanDerWaalsContact O-N 3.13Å
50	G	71.7	Confident	68.2	Low	26 Å²	26	95.7 Å²	95.7	27%	0.268	51%	0.507	S	S	.	.	S	Bend	trans	-97.1	166.6	-175	0	0	0	0	0	114.1	Q47	Q47-G50 PolarHBondContact O-N 2.93Å; Q47-G50 VanDerWaalsContact O-N 3.14Å
51	P	82.3	Confident	70.8	Confident	63 Å²	63	94.4 Å²	94.4	41%	0.409	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-55	137.5	170.8	22.4	-32.2	0	0	0	110.5	K53 Y119	P51-K53 PolarHBondContact O-N 3.1Å; P51-Y119 VanDerWaalsContact CA-CE1 3.46Å; P51-Y119 VanDerWaalsContact CA-CZ 3.41Å; P51-Y119 HydrophobicContact CB-CD1 4.22Å; P51-Y119 HydrophobicContact CB-CE1 3.52Å; P51-Y119 WeakPolarHBondContact CD-OH 3.37Å
52	P	87.6	Confident	73.5	Confident	38 Å²	38	91.1 Å²	91.1	25%	0.247	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-48.6	134.9	175.4	-29.4	35.3	0	0	0	110.4	F112 D115 Y119	P52-F112 HydrophobicContact CB-CD2 4.01Å; P52-F112 HydrophobicContact CB-CE2 3.84Å; P52-F112 WeakPolarHBondContact O-CE2 3.46Å; P52-D115 HydrophobicContact CB-CB 4.37Å; P52-D115 HydrophobicContact CG-CB 4.2Å; P52-Y119 HydrophobicContact CG-CG 4.16Å
53	K	88.3	Confident	76.3	Confident	110 Å²	110	82.4 Å²	82.4	48%	0.478	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-87.1	141.9	179.4	-65.5	179.8	-171.1	169.8	0	109.4	L44 T45 P51 F112	L44-K53 HydrophobicContact CD2-CD 3.89Å; T45-K53 PolarHBondContact O-NZ 3.02Å; P51-K53 PolarHBondContact O-N 3.1Å; K53-F112 VanDerWaalsContact C-CE2 3.42Å; K53-F112 WeakPolarHBondContact O-CD2 3.49Å; K53-F112 WeakPolarHBondContact O-CE2 3.37Å
54	R	90.1	Very high	78.7	Confident	210 Å²	210	80.9 Å²	80.9	79%	0.792	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-58.2	133.4	174.1	-72.6	-174.9	177	175.8	-1.6	110	F112	R54-F112 HydrophobicContact CB-CZ 4.44Å; R54-F112 HydrophobicContact CG-CE1 3.91Å; R54-F112 HydrophobicContact CG-CE2 4.31Å; R54-F112 HydrophobicContact CG-CZ 3.66Å
55	P	93.2	Very high	80.8	Confident	32 Å²	32	80.1 Å²	80.1	21%	0.208	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-70.4	160	-179.8	28.8	-33.6	0	0	0	110.8	A108 M109 F112	P55-A108 HydrophobicContact CB-CB 3.74Å; P55-A108 HydrophobicContact CG-CB 4.28Å; P55-M109 HydrophobicContact CG-CB 4.22Å; P55-M109 HydrophobicContact CG-CE 3.83Å; P55-M109 HydrophobicContact CG-SD 4.03Å; P55-F112 HydrophobicContact CG-CB 3.97Å; P55-F112 HydrophobicContact CG-CG 4.35Å
56	L	93	Very high	83.4	Confident	67 Å²	67	77.2 Å²	77.2	35%	0.351	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-74.9	138	-179.8	-60.7	172.3	0	0	0	111	M60 R61 L64 S105	L56-M60 HydrophobicContact CB-CB 4.07Å; L56-M60 HydrophobicContact CD2-CB 4.2Å; L56-R61 HydrophobicContact CB-CG 3.88Å; L56-R61 PolarHBondContact O-NE 3.24Å; L56-L64 HydrophobicContact CD1-CD1 3.15Å; L56-L64 HydrophobicContact CD1-CG 4.1Å; L56-S105 WeakPolarHBondContact O-CB 3.26Å
57	N	93.9	Very high	85.8	Confident	107 Å²	107	75.7 Å²	75.7	57%	0.572	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-64.9	157.1	169.6	-170.8	7	0	0	0	110.5	Y59 M60 R61	N57-Y59 VanDerWaalsContact C-N 3.31Å; N57-Y59 PolarHBondContact O-N 3.03Å; N57-M60 WeakPolarHBondContact O-CA 3.4Å; N57-M60 PolarHBondContact O-N 3.1Å; N57-R61 PolarHBondContact O-N 3.22Å
58	G	93.6	Very high	88	Confident	1 Å²	1	73.1 Å²	73.1	1%	0.01	38%	0.379	C	S	.	.	H	α-helix	trans	-49.9	-46	-178.8	0	0	0	0	0	113.6	M60 R61 Y62 F101	G58-M60 PolarHBondContact O-N 3.3Å; G58-R61 WeakPolarHBondContact O-CB 3.47Å; G58-R61 PolarHBondContact O-N 2.94Å; G58-Y62 PolarHBondContact O-N 3.35Å; G58-F101 VanDerWaalsContact CA-O 3.31Å; G58-F101 WeakPolarHBondContact CA-O 3.31Å
59	Y	94.8	Very high	90	Very high	60 Å²	60	69.1 Å²	69.1	24%	0.235	35%	0.354	C	S	.	.	H	α-helix	trans	-59.8	-44.5	174.4	171.2	-114.6	0	0	0	113	N57 R61 Y62 V63 A87 W90	N57-Y59 VanDerWaalsContact C-N 3.31Å; N57-Y59 PolarHBondContact O-N 3.03Å; Y59-R61 VanDerWaalsContact C-N 3.27Å; Y59-R61 PolarHBondContact O-N 2.83Å; Y59-Y62 WeakPolarHBondContact O-CB 3.48Å; Y59-Y62 PolarHBondContact O-N 3.37Å; Y59-V63 HydrophobicContact CD1-CG2 4.32Å; Y59-V63 HydrophobicContact CD2-CG2 4.08Å; Y59-V63 HydrophobicContact CE1-CG2 3.79Å; Y59-V63 HydrophobicContact CE2-CG2 3.54Å; Y59-V63 HydrophobicContact CG-CG2 4.46Å; Y59-V63 WeakPolarHBondContact O-CG2 3.44Å; Y59-V63 PolarHBondContact O-N 3.38Å; Y59-A87 WeakPolarHBondContact OH-CA 3.48Å; Y59-A87 VanDerWaalsContact OH-CB 3.3Å; Y59-A87 WeakPolarHBondContact OH-CB 3.49Å; Y59-W90 HydrophobicContact CD2-CB 3.84Å; Y59-W90 AromaticContact CD2-CD1 3.5Å; Y59-W90 AromaticContact CD2-CD2 3.72Å; Y59-W90 HydrophobicContact CD2-CD2 3.72Å; Y59-W90 AromaticContact CD2-CE2 3.99Å; Y59-W90 HydrophobicContact CD2-CE3 4.44Å; Y59-W90 AromaticContact CD2-CG 3.39Å; Y59-W90 HydrophobicContact CD2-CG 3.39Å; Y59-W90 AromaticContact CD2-NE1 3.85Å; Y59-W90 HydrophobicContact CE2-CB 3.81Å; Y59-W90 AromaticContact CE2-CG 3.89Å; Y59-W90 HydrophobicContact CE2-CG 3.89Å; Y59-W90 HydrophobicContact CG-CG 4.45Å
60	M	94.9	Very high	91.5	Very high	85 Å²	85	65 Å²	65	42%	0.419	33%	0.325	S	S	.	.	H	α-helix	trans	-67.8	-30.2	180	-68.6	-59.7	-61.2	0	0	112	L56 N57 G58 V63 L64	L56-M60 HydrophobicContact CB-CB 4.07Å; L56-M60 HydrophobicContact CD2-CB 4.2Å; N57-M60 WeakPolarHBondContact O-CA 3.4Å; N57-M60 PolarHBondContact O-N 3.1Å; G58-M60 PolarHBondContact O-N 3.3Å; M60-V63 PolarHBondContact O-N 3.11Å; M60-L64 WeakPolarHBondContact O-CG 3.42Å; M60-L64 PolarHBondContact O-N 3.07Å
61	R	93.8	Very high	92.6	Very high	80 Å²	80	67 Å²	67	30%	0.302	33%	0.329	S	S	.	.	H	α-helix	trans	-64.9	-46.9	171.3	-68.9	175.9	168.6	-99.8	-1.7	111	L56 N57 G58 Y59 V63 L64 Q65 F101 A104	L56-R61 HydrophobicContact CB-CG 3.88Å; L56-R61 PolarHBondContact O-NE 3.24Å; N57-R61 PolarHBondContact O-N 3.22Å; G58-R61 WeakPolarHBondContact O-CB 3.47Å; G58-R61 PolarHBondContact O-N 2.94Å; Y59-R61 VanDerWaalsContact C-N 3.27Å; Y59-R61 PolarHBondContact O-N 2.83Å; R61-V63 VanDerWaalsContact C-N 3.34Å; R61-V63 PolarHBondContact O-N 3.48Å; R61-L64 PolarHBondContact O-N 2.64Å; R61-Q65 PolarHBondContact O-N 2.75Å; R61-Q65 VanDerWaalsContact O-N 3.08Å; R61-F101 HydrophobicContact CB-CD1 4.27Å; R61-A104 PolarHBondContact NH2-O 3.27Å
62	Y	94.2	Very high	93.1	Very high	19 Å²	19	68.2 Å²	68.2	8%	0.075	34%	0.339	C	S	.	.	H	α-helix	trans	-58.7	-44.5	173.9	177.6	-104.3	0	0	0	111.9	G58 Y59 L64 Q65 Q66 I86 Q89 W90 M93 F101	G58-Y62 PolarHBondContact O-N 3.35Å; Y59-Y62 WeakPolarHBondContact O-CB 3.48Å; Y59-Y62 PolarHBondContact O-N 3.37Å; Y62-L64 VanDerWaalsContact C-N 3.32Å; Y62-L64 PolarHBondContact O-N 2.92Å; Y62-Q65 PolarHBondContact O-N 2.74Å; Y62-Q65 VanDerWaalsContact O-N 3.14Å; Y62-Q66 HydrophobicContact CD1-CG 4.24Å; Y62-Q66 HydrophobicContact CD2-CG 3.79Å; Y62-Q66 HydrophobicContact CE1-CG 3.88Å; Y62-Q66 HydrophobicContact CE2-CG 3.38Å; Y62-Q66 HydrophobicContact CG-CG 4.21Å; Y62-Q66 VanDerWaalsContact CZ-CG 3.44Å; Y62-Q66 WeakPolarHBondContact O-CB 3.49Å; Y62-Q66 WeakPolarHBondContact O-CG 3.41Å; Y62-Q66 PolarHBondContact O-N 3.18Å; Y62-I86 HydrophobicContact CD1-CG2 3.78Å; Y62-I86 HydrophobicContact CE1-CG2 3.59Å; Y62-Q89 WeakPolarHBondContact OH-CB 3.46Å; Y62-W90 HydrophobicContact CD1-CB 4.04Å; Y62-W90 HydrophobicContact CD1-CD2 4.21Å; Y62-W90 AromaticContact CD1-CE3 3.48Å; Y62-W90 HydrophobicContact CD1-CE3 3.48Å; Y62-W90 VanDerWaalsContact CD1-CE3 3.48Å; Y62-W90 HydrophobicContact CD1-CG 4.48Å; Y62-W90 HydrophobicContact CD1-CZ3 4.27Å; Y62-W90 HydrophobicContact CD2-CE3 4.03Å; Y62-W90 HydrophobicContact CD2-CZ3 4.18Å; Y62-W90 HydrophobicContact CE1-CB 3.93Å; Y62-W90 HydrophobicContact CE1-CE3 4.07Å; Y62-W90 AromaticContact CG-CE3 3.43Å; Y62-W90 HydrophobicContact CG-CE3 3.43Å; Y62-W90 VanDerWaalsContact CG-CE3 3.43Å; Y62-W90 AromaticContact CG-CZ3 3.76Å; Y62-W90 HydrophobicContact CG-CZ3 3.76Å; Y62-M93 HydrophobicContact CD2-CE 4.37Å; Y62-M93 HydrophobicContact CD2-SD 4.16Å; Y62-M93 HydrophobicContact CE1-SD 4.07Å; Y62-M93 HydrophobicContact CE2-CE 4.2Å; Y62-M93 HydrophobicContact CE2-SD 3.52Å; Y62-M93 VanDerWaalsContact CE2-SD 3.52Å; Y62-F101 HydrophobicContact CD2-CE1 4.26Å; Y62-F101 AromaticContact CD2-CE2 3.89Å; Y62-F101 HydrophobicContact CD2-CE2 3.89Å; Y62-F101 AromaticContact CD2-CZ 3.73Å; Y62-F101 HydrophobicContact CD2-CZ 3.73Å
63	V	95.3	Very high	93.3	Very high	12 Å²	12	72.5 Å²	72.5	7%	0.073	36%	0.356	C	S	.	.	H	α-helix	trans	-58.5	-42.6	175.2	172.4	0	0	0	0	111.8	Y59 M60 R61 Q65 K67 I86	Y59-V63 HydrophobicContact CD1-CG2 4.32Å; Y59-V63 HydrophobicContact CD2-CG2 4.08Å; Y59-V63 HydrophobicContact CE1-CG2 3.79Å; Y59-V63 HydrophobicContact CE2-CG2 3.54Å; Y59-V63 HydrophobicContact CG-CG2 4.46Å; Y59-V63 WeakPolarHBondContact O-CG2 3.44Å; Y59-V63 PolarHBondContact O-N 3.38Å; M60-V63 PolarHBondContact O-N 3.11Å; R61-V63 VanDerWaalsContact C-N 3.34Å; R61-V63 PolarHBondContact O-N 3.48Å; V63-Q65 VanDerWaalsContact C-N 3.31Å; V63-Q65 PolarHBondContact O-N 3.22Å; V63-K67 WeakPolarHBondContact O-CB 3.44Å; V63-K67 PolarHBondContact O-N 2.89Å; V63-I86 HydrophobicContact CB-CG2 4.47Å; V63-I86 HydrophobicContact CG2-CG2 3.89Å
64	L	93.9	Very high	93.4	Very high	103 Å²	103	69.5 Å²	69.5	54%	0.539	35%	0.345	S	S	.	.	H	α-helix	trans	-63.6	-37.6	177.3	-76.6	-171.9	0	0	0	112.8	L56 M60 R61 Y62 P68	L56-L64 HydrophobicContact CD1-CD1 3.15Å; L56-L64 HydrophobicContact CD1-CG 4.1Å; M60-L64 WeakPolarHBondContact O-CG 3.42Å; M60-L64 PolarHBondContact O-N 3.07Å; R61-L64 PolarHBondContact O-N 2.64Å; Y62-L64 VanDerWaalsContact C-N 3.32Å; Y62-L64 PolarHBondContact O-N 2.92Å; L64-P68 WeakPolarHBondContact O-CD 3.39Å
65	Q	93.6	Very high	93.3	Very high	111 Å²	111	64.8 Å²	64.8	52%	0.519	34%	0.341	S	S	.	.	H	α-helix	trans	-73.3	-42.6	179.5	-173.2	178.5	1	0	0	112.3	R61 Y62 V63 P68	R61-Q65 PolarHBondContact O-N 2.75Å; R61-Q65 VanDerWaalsContact O-N 3.08Å; Y62-Q65 PolarHBondContact O-N 2.74Å; Y62-Q65 VanDerWaalsContact O-N 3.14Å; V63-Q65 VanDerWaalsContact C-N 3.31Å; V63-Q65 PolarHBondContact O-N 3.22Å; Q65-P68 WeakPolarHBondContact O-CD 3.48Å; Q65-P68 WeakPolarHBondContact O-CG 3.12Å
66	Q	93.7	Very high	93.3	Very high	43 Å²	43	72.2 Å²	72.2	20%	0.201	37%	0.373	C	S	.	.	H	α-helix	trans	-84.8	-27.3	-174.3	-65.2	-57.4	-40.3	0	0	113.9	Y62 V69 V70 I86	Y62-Q66 HydrophobicContact CD1-CG 4.24Å; Y62-Q66 HydrophobicContact CD2-CG 3.79Å; Y62-Q66 HydrophobicContact CE1-CG 3.88Å; Y62-Q66 HydrophobicContact CE2-CG 3.38Å; Y62-Q66 HydrophobicContact CG-CG 4.21Å; Y62-Q66 VanDerWaalsContact CZ-CG 3.44Å; Y62-Q66 WeakPolarHBondContact O-CB 3.49Å; Y62-Q66 WeakPolarHBondContact O-CG 3.41Å; Y62-Q66 PolarHBondContact O-N 3.18Å; Q66-V69 WeakPolarHBondContact O-CB 3.18Å; Q66-V69 PolarHBondContact O-N 3.23Å; Q66-V69 VanDerWaalsContact O-N 3.12Å; Q66-V70 WeakPolarHBondContact O-CG2 3.25Å; Q66-V70 PolarHBondContact O-N 3.1Å; Q66-I86 HydrophobicContact CB-CD1 4.08Å; Q66-I86 HydrophobicContact CB-CG1 4.1Å; Q66-I86 HydrophobicContact CB-CG2 4.11Å
67	K	93.8	Very high	93.2	Very high	60 Å²	60	71.6 Å²	71.6	26%	0.261	37%	0.37	S	S	.	.	H	α-helix	trans	-50.9	-51.2	179	176.7	-177	167.2	-179.5	0	113.8	V63 V69 I71 L79 I86	V63-K67 WeakPolarHBondContact O-CB 3.44Å; V63-K67 PolarHBondContact O-N 2.89Å; K67-V69 VanDerWaalsContact C-N 3.31Å; K67-V69 PolarHBondContact O-N 3.17Å; K67-I71 HydrophobicContact CD-CD1 4.41Å; K67-I71 HydrophobicContact CG-CD1 3.68Å; K67-I71 HydrophobicContact CG-CG1 4.49Å; K67-I71 WeakPolarHBondContact O-CB 3.44Å; K67-I71 WeakPolarHBondContact O-CD1 2.8Å; K67-I71 WeakPolarHBondContact O-CG1 3.06Å; K67-I71 PolarHBondContact O-N 2.97Å; K67-I71 VanDerWaalsContact O-N 3.1Å; K67-L79 HydrophobicContact CD-CD1 4.13Å; K67-L79 VanDerWaalsContact CE-CD1 3.44Å; K67-L79 HydrophobicContact CG-CD1 4.4Å; K67-I86 HydrophobicContact CB-CD1 4.12Å
68	P	94.4	Very high	93.2	Very high	76 Å²	76	74 Å²	74	49%	0.494	38%	0.375	S	S	.	.	H	α-helix	trans	-63	-37.9	179	24.1	-33.8	0	0	0	112.4	L64 Q65 I71 S72	L64-P68 WeakPolarHBondContact O-CD 3.39Å; Q65-P68 WeakPolarHBondContact O-CD 3.48Å; Q65-P68 WeakPolarHBondContact O-CG 3.12Å; P68-I71 PolarHBondContact O-N 3.46Å; P68-S72 PolarHBondContact O-N 3.41Å; P68-S72 PolarHBondContact O-OG 3.06Å; P68-S72 VanDerWaalsContact O-OG 3.13Å
69	V	93.7	Very high	93.1	Very high	58 Å²	58	78.1 Å²	78.1	35%	0.352	40%	0.397	S	S	.	.	H	α-helix	trans	-62.1	-51.1	179.3	-177.5	0	0	0	0	111	Q66 K67 I71 S72 E73	Q66-V69 WeakPolarHBondContact O-CB 3.18Å; Q66-V69 PolarHBondContact O-N 3.23Å; Q66-V69 VanDerWaalsContact O-N 3.12Å; K67-V69 VanDerWaalsContact C-N 3.31Å; K67-V69 PolarHBondContact O-N 3.17Å; V69-I71 VanDerWaalsContact C-N 3.29Å; V69-I71 PolarHBondContact O-N 3.37Å; V69-S72 WeakPolarHBondContact CA-OG 3.36Å; V69-S72 PolarHBondContact O-N 3.13Å; V69-S72 PolarHBondContact O-OG 3.34Å; V69-E73 WeakPolarHBondContact CG1-OE1 3.47Å; V69-E73 WeakPolarHBondContact O-CG 3.2Å; V69-E73 PolarHBondContact O-N 3.21Å
70	V	92.4	Very high	93.1	Very high	4 Å²	4	80.1 Å²	80.1	2%	0.024	42%	0.415	C	S	.	.	H	α-helix	trans	-67	-31.9	-179.2	179.8	0	0	0	0	111.8	Q66 N74 V82 K85 I86	Q66-V70 WeakPolarHBondContact O-CG2 3.25Å; Q66-V70 PolarHBondContact O-N 3.1Å; V70-N74 WeakPolarHBondContact O-CB 3.47Å; V70-N74 PolarHBondContact O-N 2.89Å; V70-N74 VanDerWaalsContact O-N 3.08Å; V70-N74 PolarHBondContact O-ND2 3.14Å; V70-N74 VanDerWaalsContact O-ND2 3.15Å; V70-V82 HydrophobicContact CB-CG1 3.95Å; V70-V82 HydrophobicContact CG1-CB 4.34Å; V70-V82 HydrophobicContact CG1-CG1 3.78Å; V70-V82 HydrophobicContact CG1-CG2 4.27Å; V70-K85 HydrophobicContact CG1-CD 4.46Å; V70-I86 HydrophobicContact CB-CD1 4.49Å; V70-I86 HydrophobicContact CG2-CD1 4.22Å; V70-I86 HydrophobicContact CG2-CG1 3.91Å
71	I	94.4	Very high	93.1	Very high	67 Å²	67	78.6 Å²	78.6	34%	0.344	41%	0.408	S	S	.	.	H	α-helix	trans	-69.2	-42.4	173.8	-69.6	169.3	0	0	0	110.8	K67 P68 V69 E73 N74 P75 L79 V82	K67-I71 HydrophobicContact CD-CD1 4.41Å; K67-I71 HydrophobicContact CG-CD1 3.68Å; K67-I71 HydrophobicContact CG-CG1 4.49Å; K67-I71 WeakPolarHBondContact O-CB 3.44Å; K67-I71 WeakPolarHBondContact O-CD1 2.8Å; K67-I71 WeakPolarHBondContact O-CG1 3.06Å; K67-I71 PolarHBondContact O-N 2.97Å; K67-I71 VanDerWaalsContact O-N 3.1Å; P68-I71 PolarHBondContact O-N 3.46Å; V69-I71 VanDerWaalsContact C-N 3.29Å; V69-I71 PolarHBondContact O-N 3.37Å; I71-E73 VanDerWaalsContact C-N 3.32Å; I71-E73 PolarHBondContact O-N 2.94Å; I71-N74 CarbonylContact O-C 3.1Å; I71-N74 PolarHBondContact O-N 3.12Å; I71-P75 WeakPolarHBondContact O-CA 3.22Å; I71-P75 VanDerWaalsContact O-N 3.13Å; I71-L79 HydrophobicContact CD1-CD1 4.34Å; I71-V82 HydrophobicContact CG1-CG1 4.11Å; I71-V82 HydrophobicContact CG1-CG2 4.16Å
72	S	92.8	Very high	93.1	Very high	89 Å²	89	74.8 Å²	74.8	62%	0.622	39%	0.394	S	S	*	.	H	α-helix	trans	-65.7	-35.7	177.6	51.3	0	0	0	0	112.6	P68 V69 N74	P68-S72 PolarHBondContact O-N 3.41Å; P68-S72 PolarHBondContact O-OG 3.06Å; P68-S72 VanDerWaalsContact O-OG 3.13Å; V69-S72 WeakPolarHBondContact CA-OG 3.36Å; V69-S72 PolarHBondContact O-N 3.13Å; V69-S72 PolarHBondContact O-OG 3.34Å; S72-N74 VanDerWaalsContact C-N 3.29Å
73	E	91.9	Very high	93.2	Very high	129 Å²	129	76.3 Å²	76.3	60%	0.603	41%	0.405	S	S	*	.	H	α-helix	trans	-71.7	-26	174.5	-70.1	170.7	-176	0	0	112.4	V69 I71	V69-E73 WeakPolarHBondContact CG1-OE1 3.47Å; V69-E73 WeakPolarHBondContact O-CG 3.2Å; V69-E73 PolarHBondContact O-N 3.21Å; I71-E73 VanDerWaalsContact C-N 3.32Å; I71-E73 PolarHBondContact O-N 2.94Å
74	N	89.3	Confident	93.2	Very high	47 Å²	47	82.2 Å²	82.2	25%	0.251	43%	0.426	S	S	.	.			trans	-141.1	73.3	-174.1	-53.9	-101.9	0	0	0	111.8	V70 I71 S72 E76 I77	V70-N74 WeakPolarHBondContact O-CB 3.47Å; V70-N74 PolarHBondContact O-N 2.89Å; V70-N74 VanDerWaalsContact O-N 3.08Å; V70-N74 PolarHBondContact O-ND2 3.14Å; V70-N74 VanDerWaalsContact O-ND2 3.15Å; I71-N74 CarbonylContact O-C 3.1Å; I71-N74 PolarHBondContact O-N 3.12Å; S72-N74 VanDerWaalsContact C-N 3.29Å; N74-E76 VanDerWaalsContact C-N 3.25Å; N74-E76 PolarHBondContact O-N 3.08Å; N74-I77 HydrophobicContact CB-CB 4.1Å; N74-I77 HydrophobicContact CB-CD1 3.36Å; N74-I77 HydrophobicContact CB-CG1 3.67Å; N74-I77 PolarHBondContact O-N 3.46Å; N74-I77 WeakPolarHBondContact OD1-CD1 3.39Å
75	P	89.4	Confident	93.2	Very high	110 Å²	110	81 Å²	81	71%	0.714	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-23.7	-172.3	24.6	-33.9	0	0	0	114.1	I71	I71-P75 WeakPolarHBondContact O-CA 3.22Å; I71-P75 VanDerWaalsContact O-N 3.13Å
76	E	92	Very high	93.3	Very high	189 Å²	189	75.7 Å²	75.7	88%	0.883	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-11	-179.6	-60.8	-167.1	161.3	0	0	114	N74	N74-E76 VanDerWaalsContact C-N 3.25Å; N74-E76 PolarHBondContact O-N 3.08Å
77	I	91.1	Very high	93.5	Very high	53 Å²	53	74.6 Å²	74.6	27%	0.272	39%	0.39	S	S	.	.	S	Bend	trans	-77.1	136.9	-175	-64.9	-175.7	0	0	0	110.8	N74 L79 D81 V82 K85	N74-I77 HydrophobicContact CB-CB 4.1Å; N74-I77 HydrophobicContact CB-CD1 3.36Å; N74-I77 HydrophobicContact CB-CG1 3.67Å; N74-I77 PolarHBondContact O-N 3.46Å; N74-I77 WeakPolarHBondContact OD1-CD1 3.39Å; I77-L79 PolarHBondContact O-N 3.37Å; I77-D81 HydrophobicContact CG2-CB 3.7Å; I77-V82 HydrophobicContact CB-CG2 4.29Å; I77-V82 HydrophobicContact CG2-CG2 3.9Å; I77-K85 VanDerWaalsContact CD1-NZ 3.27Å
78	K	93.9	Very high	93.6	Very high	159 Å²	159	76.7 Å²	76.7	69%	0.691	40%	0.401	S	S	*	.			trans	-60.7	137.8	174	-66.4	175.4	-178.3	169.7	0	110.5	V80 D81 V82	K78-V80 PolarHBondContact O-N 2.92Å; K78-D81 PolarHBondContact O-N 3.2Å; K78-V82 PolarHBondContact O-N 3.48Å; K78-V82 VanDerWaalsContact O-N 3.13Å
79	L	91.9	Very high	93.7	Very high	87 Å²	87	76.8 Å²	76.8	46%	0.455	39%	0.394	S	S	.	.	H	α-helix	trans	-52.7	-33.3	180	178.2	60.7	0	0	0	113.8	K67 I71 I77 D81 V82 V83	K67-L79 HydrophobicContact CD-CD1 4.13Å; K67-L79 VanDerWaalsContact CE-CD1 3.44Å; K67-L79 HydrophobicContact CG-CD1 4.4Å; I71-L79 HydrophobicContact CD1-CD1 4.34Å; I77-L79 PolarHBondContact O-N 3.37Å; L79-D81 VanDerWaalsContact C-N 3.3Å; L79-D81 PolarHBondContact O-N 3.31Å; L79-V82 PolarHBondContact O-N 3.09Å; L79-V83 HydrophobicContact CD1-CG2 4.19Å; L79-V83 WeakPolarHBondContact O-CG2 3.41Å; L79-V83 PolarHBondContact O-N 2.71Å
80	V	94.8	Very high	93.8	Very high	102 Å²	102	75.8 Å²	75.8	62%	0.618	38%	0.384	S	S	*	.	H	α-helix	trans	-62.1	-40.2	177.6	178.9	0	0	0	0	111.2	K78 R84	K78-V80 PolarHBondContact O-N 2.92Å; V80-R84 WeakPolarHBondContact O-CB 3.37Å; V80-R84 PolarHBondContact O-N 3.15Å
81	D	94.7	Very high	94	Very high	52 Å²	52	85 Å²	85	28%	0.278	42%	0.419	S	S	.	.	H	α-helix	trans	-77	-34.5	-179.3	-59.3	-45.6	0	0	0	111.1	I77 K78 L79 R84 K85	I77-D81 HydrophobicContact CG2-CB 3.7Å; K78-D81 PolarHBondContact O-N 3.2Å; L79-D81 VanDerWaalsContact C-N 3.3Å; L79-D81 PolarHBondContact O-N 3.31Å; D81-R84 WeakPolarHBondContact O-CB 3.43Å; D81-R84 PolarHBondContact O-N 2.93Å; D81-R84 IonicContact OD1-CZ 3.33Å; D81-R84 IonicContact OD1-NH1 2.71Å; D81-R84 PolarHBondContact OD1-NH1 3Å; D81-R84 IonicContact OD1-NH2 3.46Å; D81-R84 PolarHBondContact OD1-NH2 3.07Å; D81-K85 WeakPolarHBondContact O-CG 3.46Å; D81-K85 PolarHBondContact O-N 2.98Å
82	V	94.8	Very high	94	Very high	0 Å²	0	89.7 Å²	89.7	0%	0	44%	0.441	C	S	.	.	H	α-helix	trans	-55.6	-52.4	168.8	170.5	0	0	0	0	111	V70 I71 I77 K78 L79 R84 K85 I86	V70-V82 HydrophobicContact CB-CG1 3.95Å; V70-V82 HydrophobicContact CG1-CB 4.34Å; V70-V82 HydrophobicContact CG1-CG1 3.78Å; V70-V82 HydrophobicContact CG1-CG2 4.27Å; I71-V82 HydrophobicContact CG1-CG1 4.11Å; I71-V82 HydrophobicContact CG1-CG2 4.16Å; I77-V82 HydrophobicContact CB-CG2 4.29Å; I77-V82 HydrophobicContact CG2-CG2 3.9Å; K78-V82 PolarHBondContact O-N 3.48Å; K78-V82 VanDerWaalsContact O-N 3.13Å; L79-V82 PolarHBondContact O-N 3.09Å; V82-R84 VanDerWaalsContact C-N 3.25Å; V82-R84 PolarHBondContact O-N 3.41Å; V82-K85 PolarHBondContact O-N 3.21Å; V82-I86 HydrophobicContact CG1-CD1 3.87Å; V82-I86 WeakPolarHBondContact O-CG1 3.44Å; V82-I86 PolarHBondContact O-N 3Å
83	V	94.5	Very high	94.2	Very high	52 Å²	52	86.7 Å²	86.7	32%	0.315	42%	0.418	S	S	.	.	H	α-helix	trans	-64.2	-33.9	179.5	175.8	0	0	0	0	111	L79 I86 A87	L79-V83 HydrophobicContact CD1-CG2 4.19Å; L79-V83 WeakPolarHBondContact O-CG2 3.41Å; L79-V83 PolarHBondContact O-N 2.71Å; V83-I86 PolarHBondContact O-N 2.7Å; V83-A87 WeakPolarHBondContact O-CB 3.46Å; V83-A87 PolarHBondContact O-N 3.49Å
84	R	95.8	Very high	94.4	Very high	135 Å²	135	82.6 Å²	82.6	51%	0.509	40%	0.404	S	S	.	.	H	α-helix	trans	-64	-44.3	174.9	-169.5	-177	-61.7	134.4	9.1	111.9	V80 D81 V82 A87 Q88	V80-R84 WeakPolarHBondContact O-CB 3.37Å; V80-R84 PolarHBondContact O-N 3.15Å; D81-R84 WeakPolarHBondContact O-CB 3.43Å; D81-R84 PolarHBondContact O-N 2.93Å; D81-R84 IonicContact OD1-CZ 3.33Å; D81-R84 IonicContact OD1-NH1 2.71Å; D81-R84 PolarHBondContact OD1-NH1 3Å; D81-R84 IonicContact OD1-NH2 3.46Å; D81-R84 PolarHBondContact OD1-NH2 3.07Å; V82-R84 VanDerWaalsContact C-N 3.25Å; V82-R84 PolarHBondContact O-N 3.41Å; R84-A87 WeakPolarHBondContact O-CB 3.49Å; R84-A87 PolarHBondContact O-N 3.45Å; R84-Q88 WeakPolarHBondContact O-CG 3.44Å; R84-Q88 PolarHBondContact O-N 3.19Å; R84-Q88 VanDerWaalsContact O-N 3.09Å
85	K	95	Very high	94.7	Very high	77 Å²	77	85.3 Å²	85.3	34%	0.335	42%	0.423	S	S	.	.	H	α-helix	trans	-59.7	-48	175.1	-73.1	-177.5	176.3	-172.8	0	111.4	V70 I77 D81 V82 A87 Q88 Q89	V70-K85 HydrophobicContact CG1-CD 4.46Å; I77-K85 VanDerWaalsContact CD1-NZ 3.27Å; D81-K85 WeakPolarHBondContact O-CG 3.46Å; D81-K85 PolarHBondContact O-N 2.98Å; V82-K85 PolarHBondContact O-N 3.21Å; K85-A87 VanDerWaalsContact C-N 3.3Å; K85-A87 PolarHBondContact O-N 2.87Å; K85-Q88 WeakPolarHBondContact O-CB 3.49Å; K85-Q88 PolarHBondContact O-N 3.02Å; K85-Q89 WeakPolarHBondContact O-CG 3.27Å; K85-Q89 PolarHBondContact O-N 3.01Å
86	I	95.9	Very high	95	Very high	0 Å²	0	87.7 Å²	87.7	0%	0	43%	0.425	C	S	.	.	H	α-helix	trans	-61.9	-39.1	178.1	-63.1	166.1	0	0	0	111.4	Y62 V63 Q66 K67 V70 V82 V83 Q88 Q89 W90	Y62-I86 HydrophobicContact CD1-CG2 3.78Å; Y62-I86 HydrophobicContact CE1-CG2 3.59Å; V63-I86 HydrophobicContact CB-CG2 4.47Å; V63-I86 HydrophobicContact CG2-CG2 3.89Å; Q66-I86 HydrophobicContact CB-CD1 4.08Å; Q66-I86 HydrophobicContact CB-CG1 4.1Å; Q66-I86 HydrophobicContact CB-CG2 4.11Å; K67-I86 HydrophobicContact CB-CD1 4.12Å; V70-I86 HydrophobicContact CB-CD1 4.49Å; V70-I86 HydrophobicContact CG2-CD1 4.22Å; V70-I86 HydrophobicContact CG2-CG1 3.91Å; V82-I86 HydrophobicContact CG1-CD1 3.87Å; V82-I86 WeakPolarHBondContact O-CG1 3.44Å; V82-I86 PolarHBondContact O-N 3Å; V83-I86 PolarHBondContact O-N 2.7Å; I86-Q88 VanDerWaalsContact C-N 3.28Å; I86-Q88 PolarHBondContact O-N 2.83Å; I86-Q89 PolarHBondContact O-N 3.18Å; I86-W90 PolarHBondContact O-N 3.02Å
87	A	96.6	Very high	95	Very high	20 Å²	20	83.9 Å²	83.9	17%	0.165	41%	0.407	C	S	.	.	H	α-helix	trans	-62	-37	175.5	0	0	0	0	0	112.3	Y59 V83 R84 K85 R91	Y59-A87 WeakPolarHBondContact OH-CA 3.48Å; Y59-A87 VanDerWaalsContact OH-CB 3.3Å; Y59-A87 WeakPolarHBondContact OH-CB 3.49Å; V83-A87 WeakPolarHBondContact O-CB 3.46Å; V83-A87 PolarHBondContact O-N 3.49Å; R84-A87 WeakPolarHBondContact O-CB 3.49Å; R84-A87 PolarHBondContact O-N 3.45Å; K85-A87 VanDerWaalsContact C-N 3.3Å; K85-A87 PolarHBondContact O-N 2.87Å; A87-R91 WeakPolarHBondContact O-CG 3.36Å; A87-R91 PolarHBondContact O-N 3.49Å
88	Q	96.7	Very high	95.2	Very high	104 Å²	104	83.1 Å²	83.1	49%	0.486	40%	0.402	S	S	.	.	H	α-helix	trans	-68.8	-46.9	175.1	-70.1	169.3	-22.8	0	0	111.2	R84 K85 I86 W90 R91 M92	R84-Q88 WeakPolarHBondContact O-CG 3.44Å; R84-Q88 PolarHBondContact O-N 3.19Å; R84-Q88 VanDerWaalsContact O-N 3.09Å; K85-Q88 WeakPolarHBondContact O-CB 3.49Å; K85-Q88 PolarHBondContact O-N 3.02Å; I86-Q88 VanDerWaalsContact C-N 3.28Å; I86-Q88 PolarHBondContact O-N 2.83Å; Q88-W90 VanDerWaalsContact C-N 3.32Å; Q88-W90 PolarHBondContact O-N 2.87Å; Q88-R91 WeakPolarHBondContact O-CB 3.43Å; Q88-R91 PolarHBondContact O-N 2.88Å; Q88-M92 WeakPolarHBondContact O-CG 3.45Å; Q88-M92 PolarHBondContact O-N 3.01Å; Q88-M92 VanDerWaalsContact O-N 3.1Å
89	Q	95.5	Very high	95.3	Very high	78 Å²	78	79.3 Å²	79.3	36%	0.364	39%	0.387	S	S	.	.	H	α-helix	trans	-55.4	-46.9	175.6	-69.7	172.4	-36.4	0	0	111.5	Y62 K85 I86 R91 M92 M93	Y62-Q89 WeakPolarHBondContact OH-CB 3.46Å; K85-Q89 WeakPolarHBondContact O-CG 3.27Å; K85-Q89 PolarHBondContact O-N 3.01Å; I86-Q89 PolarHBondContact O-N 3.18Å; Q89-R91 VanDerWaalsContact C-N 3.29Å; Q89-R91 PolarHBondContact O-N 3.44Å; Q89-M92 PolarHBondContact O-N 3.46Å; Q89-M92 VanDerWaalsContact O-N 3.1Å; Q89-M93 WeakPolarHBondContact O-CG 3.45Å; Q89-M93 PolarHBondContact O-N 3.04Å
90	W	96.3	Very high	95.5	Very high	37 Å²	37	78.4 Å²	78.4	14%	0.14	39%	0.386	C	S	.	.	H	α-helix	trans	-60.1	-36.3	176.1	-179.3	-98.6	0	0	0	112.9	Y59 Y62 I86 Q88 M92 M93 K98 F101	Y59-W90 HydrophobicContact CD2-CB 3.84Å; Y59-W90 AromaticContact CD2-CD1 3.5Å; Y59-W90 AromaticContact CD2-CD2 3.72Å; Y59-W90 HydrophobicContact CD2-CD2 3.72Å; Y59-W90 AromaticContact CD2-CE2 3.99Å; Y59-W90 HydrophobicContact CD2-CE3 4.44Å; Y59-W90 AromaticContact CD2-CG 3.39Å; Y59-W90 HydrophobicContact CD2-CG 3.39Å; Y59-W90 AromaticContact CD2-NE1 3.85Å; Y59-W90 HydrophobicContact CE2-CB 3.81Å; Y59-W90 AromaticContact CE2-CG 3.89Å; Y59-W90 HydrophobicContact CE2-CG 3.89Å; Y59-W90 HydrophobicContact CG-CG 4.45Å; Y62-W90 HydrophobicContact CD1-CB 4.04Å; Y62-W90 HydrophobicContact CD1-CD2 4.21Å; Y62-W90 AromaticContact CD1-CE3 3.48Å; Y62-W90 HydrophobicContact CD1-CE3 3.48Å; Y62-W90 VanDerWaalsContact CD1-CE3 3.48Å; Y62-W90 HydrophobicContact CD1-CG 4.48Å; Y62-W90 HydrophobicContact CD1-CZ3 4.27Å; Y62-W90 HydrophobicContact CD2-CE3 4.03Å; Y62-W90 HydrophobicContact CD2-CZ3 4.18Å; Y62-W90 HydrophobicContact CE1-CB 3.93Å; Y62-W90 HydrophobicContact CE1-CE3 4.07Å; Y62-W90 AromaticContact CG-CE3 3.43Å; Y62-W90 HydrophobicContact CG-CE3 3.43Å; Y62-W90 VanDerWaalsContact CG-CE3 3.43Å; Y62-W90 AromaticContact CG-CZ3 3.76Å; Y62-W90 HydrophobicContact CG-CZ3 3.76Å; I86-W90 PolarHBondContact O-N 3.02Å; Q88-W90 VanDerWaalsContact C-N 3.32Å; Q88-W90 PolarHBondContact O-N 2.87Å; W90-M92 VanDerWaalsContact C-N 3.33Å; W90-M93 HydrophobicContact CE3-CE 3.58Å; W90-M93 HydrophobicContact CE3-SD 3.78Å; W90-M93 HydrophobicContact CZ3-CE 3.58Å; W90-M93 HydrophobicContact CZ3-SD 4.38Å; W90-K98 HydrophobicContact CD2-CG 4.4Å; W90-K98 HydrophobicContact CE3-CG 4.31Å; W90-K98 HydrophobicContact CH2-CB 3.81Å; W90-K98 HydrophobicContact CH2-CG 3.72Å; W90-K98 HydrophobicContact CZ2-CB 4.06Å; W90-K98 HydrophobicContact CZ2-CD 4.1Å; W90-K98 HydrophobicContact CZ2-CG 3.79Å; W90-K98 HydrophobicContact CZ3-CB 4.39Å; W90-K98 HydrophobicContact CZ3-CG 3.99Å; W90-K98 WeakPolarHBondContact O-CE 3.36Å; W90-K98 PolarHBondContact O-NZ 3.45Å; W90-F101 HydrophobicContact CH2-CB 3.96Å; W90-F101 HydrophobicContact CH2-CD2 4.19Å; W90-F101 HydrophobicContact CH2-CG 4.31Å; W90-F101 HydrophobicContact CZ3-CB 4.26Å; W90-F101 AromaticContact CZ3-CD2 3.75Å; W90-F101 HydrophobicContact CZ3-CD2 3.75Å; W90-F101 HydrophobicContact CZ3-CE2 4.39Å; W90-F101 HydrophobicContact CZ3-CG 4.1Å
91	R	96.5	Very high	95.5	Very high	198 Å²	198	75.2 Å²	75.2	75%	0.747	36%	0.364	S	S	*	.	H	α-helix	trans	-66.3	-37.9	176.3	-72.7	172.8	-171.8	178.4	1.5	111.7	A87 Q88 Q89	A87-R91 WeakPolarHBondContact O-CG 3.36Å; A87-R91 PolarHBondContact O-N 3.49Å; Q88-R91 WeakPolarHBondContact O-CB 3.43Å; Q88-R91 PolarHBondContact O-N 2.88Å; Q89-R91 VanDerWaalsContact C-N 3.29Å; Q89-R91 PolarHBondContact O-N 3.44Å
92	M	95.9	Very high	95.5	Very high	166 Å²	166	77.3 Å²	77.3	82%	0.818	37%	0.372	S	S	*	.	H	α-helix	trans	-76.5	-21.3	-179.2	-65	176.9	67.6	0	0	114.1	Q88 Q89 W90	Q88-M92 WeakPolarHBondContact O-CG 3.45Å; Q88-M92 PolarHBondContact O-N 3.01Å; Q88-M92 VanDerWaalsContact O-N 3.1Å; Q89-M92 PolarHBondContact O-N 3.46Å; Q89-M92 VanDerWaalsContact O-N 3.1Å; W90-M92 VanDerWaalsContact C-N 3.33Å
93	M	95.3	Very high	95.5	Very high	25 Å²	25	81.8 Å²	81.8	12%	0.123	39%	0.393	C	S	.	.	S	Bend	trans	-62.1	144.2	178	-78.2	166.5	50.5	0	0	113	Y62 Q89 W90 Q97 K98 F101	Y62-M93 HydrophobicContact CD2-CE 4.37Å; Y62-M93 HydrophobicContact CD2-SD 4.16Å; Y62-M93 HydrophobicContact CE1-SD 4.07Å; Y62-M93 HydrophobicContact CE2-CE 4.2Å; Y62-M93 HydrophobicContact CE2-SD 3.52Å; Y62-M93 VanDerWaalsContact CE2-SD 3.52Å; Q89-M93 WeakPolarHBondContact O-CG 3.45Å; Q89-M93 PolarHBondContact O-N 3.04Å; W90-M93 HydrophobicContact CE3-CE 3.58Å; W90-M93 HydrophobicContact CE3-SD 3.78Å; W90-M93 HydrophobicContact CZ3-CE 3.58Å; W90-M93 HydrophobicContact CZ3-SD 4.38Å; M93-Q97 HydrophobicContact CB-CB 4.27Å; M93-Q97 HydrophobicContact CE-CB 3.88Å; M93-Q97 WeakPolarHBondContact CE-O 3.48Å; M93-Q97 HydrophobicContact CG-CB 4.47Å; M93-K98 HydrophobicContact CB-CG 4.19Å; M93-K98 HydrophobicContact CE-CG 3.82Å; M93-K98 WeakPolarHBondContact O-CE 3.5Å; M93-K98 PolarHBondContact O-NZ 3.22Å; M93-F101 HydrophobicContact CE-CD2 4.42Å; M93-F101 HydrophobicContact CE-CE2 4.21Å
94	S	96.6	Very high	95.4	Very high	44 Å²	44	80.8 Å²	80.8	31%	0.308	39%	0.39	S	S	.	.			trans	-67.1	159.3	174.1	77.2	0	0	0	0	111.4	E96 Q97 K98	S94-E96 PolarHBondContact O-N 3.39Å; S94-Q97 PolarHBondContact O-N 3.22Å; S94-Q97 WeakPolarHBondContact OG-CG 3.46Å; S94-Q97 PolarHBondContact OG-N 3.42Å; S94-K98 WeakPolarHBondContact O-CG 3.3Å; S94-K98 PolarHBondContact O-N 2.96Å
95	P	94.9	Very high	95.2	Very high	103 Å²	103	75.1 Å²	75.1	67%	0.669	37%	0.371	S	S	*	.	H	α-helix	trans	-58.8	-36.7	175.2	23.1	-33.2	0	0	0	112.2	Q97 K98 E99	P95-Q97 PolarHBondContact O-N 2.92Å; P95-K98 WeakPolarHBondContact O-CB 3.36Å; P95-K98 PolarHBondContact O-N 3.23Å; P95-K98 VanDerWaalsContact O-N 3.11Å; P95-E99 PolarHBondContact O-N 2.89Å
96	E	95.9	Very high	95.2	Very high	160 Å²	160	75.3 Å²	75.3	75%	0.748	38%	0.378	S	S	*	.	H	α-helix	trans	-63	-40.2	177.8	-62.9	174.5	-178.3	0	0	112.3	S94 K98 E99 P100	S94-E96 PolarHBondContact O-N 3.39Å; E96-K98 VanDerWaalsContact C-N 3.26Å; E96-K98 PolarHBondContact O-N 3.1Å; E96-E99 WeakPolarHBondContact O-CB 3.37Å; E96-E99 PolarHBondContact O-N 3.25Å; E96-P100 VanDerWaalsContact O-CD 3.25Å; E96-P100 WeakPolarHBondContact O-CD 3.48Å
97	Q	93.6	Very high	95.2	Very high	109 Å²	109	81 Å²	81	51%	0.509	41%	0.405	S	S	.	.	H	α-helix	trans	-69.5	-25.2	175.7	-69.2	173.1	-21.3	0	0	112.6	M93 S94 P95 F101	M93-Q97 HydrophobicContact CB-CB 4.27Å; M93-Q97 HydrophobicContact CE-CB 3.88Å; M93-Q97 WeakPolarHBondContact CE-O 3.48Å; M93-Q97 HydrophobicContact CG-CB 4.47Å; S94-Q97 PolarHBondContact O-N 3.22Å; S94-Q97 WeakPolarHBondContact OG-CG 3.46Å; S94-Q97 PolarHBondContact OG-N 3.42Å; P95-Q97 PolarHBondContact O-N 2.92Å; Q97-F101 WeakPolarHBondContact O-CD2 3.04Å; Q97-F101 WeakPolarHBondContact O-CE2 3.35Å
98	K	95.3	Very high	95	Very high	37 Å²	37	80.7 Å²	80.7	16%	0.161	40%	0.403	C	S	.	.	H	α-helix	trans	-83.8	-28	177.4	-66.2	170.2	-178.4	162.8	0	112.4	W90 M93 S94 P95 E96 F101 Q102	W90-K98 HydrophobicContact CD2-CG 4.4Å; W90-K98 HydrophobicContact CE3-CG 4.31Å; W90-K98 HydrophobicContact CH2-CB 3.81Å; W90-K98 HydrophobicContact CH2-CG 3.72Å; W90-K98 HydrophobicContact CZ2-CB 4.06Å; W90-K98 HydrophobicContact CZ2-CD 4.1Å; W90-K98 HydrophobicContact CZ2-CG 3.79Å; W90-K98 HydrophobicContact CZ3-CB 4.39Å; W90-K98 HydrophobicContact CZ3-CG 3.99Å; W90-K98 WeakPolarHBondContact O-CE 3.36Å; W90-K98 PolarHBondContact O-NZ 3.45Å; M93-K98 HydrophobicContact CB-CG 4.19Å; M93-K98 HydrophobicContact CE-CG 3.82Å; M93-K98 WeakPolarHBondContact O-CE 3.5Å; M93-K98 PolarHBondContact O-NZ 3.22Å; S94-K98 WeakPolarHBondContact O-CG 3.3Å; S94-K98 PolarHBondContact O-N 2.96Å; P95-K98 WeakPolarHBondContact O-CB 3.36Å; P95-K98 PolarHBondContact O-N 3.23Å; P95-K98 VanDerWaalsContact O-N 3.11Å; E96-K98 VanDerWaalsContact C-N 3.26Å; E96-K98 PolarHBondContact O-N 3.1Å; K98-F101 WeakPolarHBondContact O-CB 3.46Å; K98-F101 PolarHBondContact O-N 3.08Å; K98-F101 VanDerWaalsContact O-N 3.15Å; K98-Q102 WeakPolarHBondContact O-CG 3.16Å; K98-Q102 PolarHBondContact O-N 2.69Å; K98-Q102 VanDerWaalsContact O-N 3.07Å
99	E	95.8	Very high	94.9	Very high	80 Å²	80	79.3 Å²	79.3	37%	0.374	40%	0.397	S	S	.	.	H	α-helix	trans	-45.4	-54.4	-178.2	-150	-70.2	147	0	0	113.4	P95 E96 F101 Q102 Q103	P95-E99 PolarHBondContact O-N 2.89Å; E96-E99 WeakPolarHBondContact O-CB 3.37Å; E96-E99 PolarHBondContact O-N 3.25Å; E99-F101 VanDerWaalsContact C-N 3.28Å; E99-F101 PolarHBondContact O-N 2.66Å; E99-Q102 WeakPolarHBondContact O-CA 3.42Å; E99-Q102 WeakPolarHBondContact O-CB 3.44Å; E99-Q102 PolarHBondContact O-N 2.96Å; E99-Q103 VanDerWaalsContact CD-CD 3.45Å; E99-Q103 PolarHBondContact O-N 3.18Å; E99-Q103 WeakPolarHBondContact OE1-CG 3.49Å; E99-Q103 PolarHBondContact OE1-NE2 3.06Å; E99-Q103 WeakPolarHBondContact OE2-CG 3.4Å; E99-Q103 PolarHBondContact OE2-NE2 3.1Å
100	P	95.3	Very high	94.8	Very high	67 Å²	67	82.2 Å²	82.2	44%	0.435	41%	0.408	S	S	.	.	H	α-helix	trans	-61.6	-36.2	-177.7	22.6	-35.1	0	0	0	112.7	E96 A104	E96-P100 VanDerWaalsContact O-CD 3.25Å; E96-P100 WeakPolarHBondContact O-CD 3.48Å; P100-A104 VanDerWaalsContact O-CB 3.27Å; P100-A104 WeakPolarHBondContact O-CB 3.42Å; P100-A104 PolarHBondContact O-N 3.42Å
101	F	94.1	Very high	94.7	Very high	35 Å²	35	86.5 Å²	86.5	15%	0.154	43%	0.43	C	S	.	.	H	α-helix	trans	-69.3	-36.6	176.9	-61.5	-75	0	0	0	112.1	G58 R61 Y62 W90 M93 Q97 K98 E99 S105	G58-F101 VanDerWaalsContact CA-O 3.31Å; G58-F101 WeakPolarHBondContact CA-O 3.31Å; R61-F101 HydrophobicContact CB-CD1 4.27Å; Y62-F101 HydrophobicContact CD2-CE1 4.26Å; Y62-F101 AromaticContact CD2-CE2 3.89Å; Y62-F101 HydrophobicContact CD2-CE2 3.89Å; Y62-F101 AromaticContact CD2-CZ 3.73Å; Y62-F101 HydrophobicContact CD2-CZ 3.73Å; W90-F101 HydrophobicContact CH2-CB 3.96Å; W90-F101 HydrophobicContact CH2-CD2 4.19Å; W90-F101 HydrophobicContact CH2-CG 4.31Å; W90-F101 HydrophobicContact CZ3-CB 4.26Å; W90-F101 AromaticContact CZ3-CD2 3.75Å; W90-F101 HydrophobicContact CZ3-CD2 3.75Å; W90-F101 HydrophobicContact CZ3-CE2 4.39Å; W90-F101 HydrophobicContact CZ3-CG 4.1Å; M93-F101 HydrophobicContact CE-CD2 4.42Å; M93-F101 HydrophobicContact CE-CE2 4.21Å; Q97-F101 WeakPolarHBondContact O-CD2 3.04Å; Q97-F101 WeakPolarHBondContact O-CE2 3.35Å; K98-F101 WeakPolarHBondContact O-CB 3.46Å; K98-F101 PolarHBondContact O-N 3.08Å; K98-F101 VanDerWaalsContact O-N 3.15Å; E99-F101 VanDerWaalsContact C-N 3.28Å; E99-F101 PolarHBondContact O-N 2.66Å; F101-S105 WeakPolarHBondContact O-CB 3.38Å; F101-S105 PolarHBondContact O-N 2.95Å; F101-S105 VanDerWaalsContact O-N 3.1Å
102	Q	94.7	Very high	94.6	Very high	97 Å²	97	78.2 Å²	78.2	45%	0.453	40%	0.399	S	S	.	.	H	α-helix	trans	-68.9	-48.8	176.7	-67.3	179.8	26.2	0	0	110.6	K98 E99 A104 S105 V106	K98-Q102 WeakPolarHBondContact O-CG 3.16Å; K98-Q102 PolarHBondContact O-N 2.69Å; K98-Q102 VanDerWaalsContact O-N 3.07Å; E99-Q102 WeakPolarHBondContact O-CA 3.42Å; E99-Q102 WeakPolarHBondContact O-CB 3.44Å; E99-Q102 PolarHBondContact O-N 2.96Å; Q102-A104 PolarHBondContact O-N 2.89Å; Q102-S105 WeakPolarHBondContact O-CB 3.42Å; Q102-S105 PolarHBondContact O-N 3.5Å; Q102-S105 PolarHBondContact O-OG 3.1Å; Q102-V106 WeakPolarHBondContact O-CG2 3.34Å; Q102-V106 PolarHBondContact O-N 3Å
103	Q	95.1	Very high	94.5	Very high	94 Å²	94	76.5 Å²	76.5	44%	0.439	39%	0.387	S	S	.	.	H	α-helix	trans	-56.1	-49.3	175.7	-69.5	-169.6	-8.5	0	0	111.9	E99 S105 V106 Q107	E99-Q103 VanDerWaalsContact CD-CD 3.45Å; E99-Q103 PolarHBondContact O-N 3.18Å; E99-Q103 WeakPolarHBondContact OE1-CG 3.49Å; E99-Q103 PolarHBondContact OE1-NE2 3.06Å; E99-Q103 WeakPolarHBondContact OE2-CG 3.4Å; E99-Q103 PolarHBondContact OE2-NE2 3.1Å; Q103-S105 PolarHBondContact O-N 3.08Å; Q103-V106 PolarHBondContact O-N 3.33Å; Q103-V106 VanDerWaalsContact O-N 3.08Å; Q103-Q107 WeakPolarHBondContact O-CG 3.08Å; Q103-Q107 PolarHBondContact O-N 3.12Å
104	A	92.8	Very high	94.5	Very high	31 Å²	31	78.6 Å²	78.6	26%	0.256	40%	0.401	S	S	.	.	H	α-helix	trans	-59.5	-34.9	177.6	0	0	0	0	0	112.3	R61 P100 Q102 A108	R61-A104 PolarHBondContact NH2-O 3.27Å; P100-A104 VanDerWaalsContact O-CB 3.27Å; P100-A104 WeakPolarHBondContact O-CB 3.42Å; P100-A104 PolarHBondContact O-N 3.42Å; Q102-A104 PolarHBondContact O-N 2.89Å; A104-A108 WeakPolarHBondContact O-CB 2.94Å; A104-A108 PolarHBondContact O-N 3.48Å; A104-A108 VanDerWaalsContact O-N 3.1Å
105	S	92.3	Very high	94.2	Very high	16 Å²	16	80 Å²	80	11%	0.112	41%	0.406	C	S	.	.	H	α-helix	trans	-70.1	-38.5	175.5	79.2	0	0	0	0	112.7	L56 F101 Q102 Q103 M109	L56-S105 WeakPolarHBondContact O-CB 3.26Å; F101-S105 WeakPolarHBondContact O-CB 3.38Å; F101-S105 PolarHBondContact O-N 2.95Å; F101-S105 VanDerWaalsContact O-N 3.1Å; Q102-S105 WeakPolarHBondContact O-CB 3.42Å; Q102-S105 PolarHBondContact O-N 3.5Å; Q102-S105 PolarHBondContact O-OG 3.1Å; Q103-S105 PolarHBondContact O-N 3.08Å; S105-M109 WeakPolarHBondContact O-CB 3.47Å; S105-M109 PolarHBondContact O-N 3.02Å
106	V	95.2	Very high	94.1	Very high	80 Å²	80	77.5 Å²	77.5	49%	0.485	39%	0.386	S	S	.	.	H	α-helix	trans	-66.9	-46.2	176.8	171.7	0	0	0	0	110.6	Q102 Q103 A108 M109 K110	Q102-V106 WeakPolarHBondContact O-CG2 3.34Å; Q102-V106 PolarHBondContact O-N 3Å; Q103-V106 PolarHBondContact O-N 3.33Å; Q103-V106 VanDerWaalsContact O-N 3.08Å; V106-A108 PolarHBondContact O-N 2.65Å; V106-M109 WeakPolarHBondContact O-CB 3.45Å; V106-M109 PolarHBondContact O-N 3.36Å; V106-K110 WeakPolarHBondContact O-CG 3.48Å; V106-K110 PolarHBondContact O-N 3.26Å
107	Q	94.6	Very high	93.9	Very high	120 Å²	120	76 Å²	76	56%	0.561	38%	0.38	S	S	*	.	H	α-helix	trans	-59.3	-48.1	176.9	-70.7	177.3	4.5	0	0	111.4	Q103 M109 K110 Q111	Q103-Q107 WeakPolarHBondContact O-CG 3.08Å; Q103-Q107 PolarHBondContact O-N 3.12Å; Q107-M109 VanDerWaalsContact C-N 3.27Å; Q107-M109 PolarHBondContact O-N 3.18Å; Q107-K110 WeakPolarHBondContact O-CB 3.26Å; Q107-K110 PolarHBondContact O-N 3.14Å; Q107-K110 VanDerWaalsContact O-N 3.1Å; Q107-Q111 PolarHBondContact O-N 3.49Å; Q107-Q111 VanDerWaalsContact O-N 3.08Å
108	A	92.9	Very high	93.8	Very high	14 Å²	14	76.9 Å²	76.9	12%	0.116	38%	0.382	C	S	.	.	H	α-helix	trans	-64.3	-32.3	177	0	0	0	0	0	112.9	P55 A104 V106 Q111 F112	P55-A108 HydrophobicContact CB-CB 3.74Å; P55-A108 HydrophobicContact CG-CB 4.28Å; A104-A108 WeakPolarHBondContact O-CB 2.94Å; A104-A108 PolarHBondContact O-N 3.48Å; A104-A108 VanDerWaalsContact O-N 3.1Å; V106-A108 PolarHBondContact O-N 2.65Å; A108-Q111 PolarHBondContact O-N 3Å; A108-F112 VanDerWaalsContact O-CB 3.26Å; A108-F112 WeakPolarHBondContact O-CB 3.15Å; A108-F112 PolarHBondContact O-N 2.97Å
109	M	93.6	Very high	93.5	Very high	74 Å²	74	76.9 Å²	76.9	37%	0.365	38%	0.381	S	S	.	.	H	α-helix	trans	-66.7	-36.7	173.5	-171.3	61.8	71.6	0	0	112.1	P55 S105 V106 Q107 F112 K113	P55-M109 HydrophobicContact CG-CB 4.22Å; P55-M109 HydrophobicContact CG-CE 3.83Å; P55-M109 HydrophobicContact CG-SD 4.03Å; S105-M109 WeakPolarHBondContact O-CB 3.47Å; S105-M109 PolarHBondContact O-N 3.02Å; V106-M109 WeakPolarHBondContact O-CB 3.45Å; V106-M109 PolarHBondContact O-N 3.36Å; Q107-M109 VanDerWaalsContact C-N 3.27Å; Q107-M109 PolarHBondContact O-N 3.18Å; M109-F112 HydrophobicContact SD-CD1 3.82Å; M109-K113 WeakPolarHBondContact O-CG 3.38Å; M109-K113 PolarHBondContact O-N 2.77Å; M109-K113 VanDerWaalsContact O-N 3.14Å
110	K	95.3	Very high	93.2	Very high	139 Å²	139	78.7 Å²	78.7	60%	0.604	39%	0.389	S	S	*	.	H	α-helix	trans	-63.1	-48.7	173.8	-68.5	176.7	-179.8	-178.5	0	110.8	V106 Q107 F112 K113 V114	V106-K110 WeakPolarHBondContact O-CG 3.48Å; V106-K110 PolarHBondContact O-N 3.26Å; Q107-K110 WeakPolarHBondContact O-CB 3.26Å; Q107-K110 PolarHBondContact O-N 3.14Å; Q107-K110 VanDerWaalsContact O-N 3.1Å; K110-F112 PolarHBondContact O-N 2.91Å; K110-K113 PolarHBondContact O-N 2.92Å; K110-V114 PolarHBondContact O-N 3.13Å
111	Q	93.2	Very high	92.9	Very high	128 Å²	128	79.8 Å²	79.8	60%	0.598	40%	0.404	S	S	*	.	H	α-helix	trans	-58.7	-48.5	176	-70.8	177.5	-21.7	0	0	111.7	Q107 A108 K113 V114 D115	Q107-Q111 PolarHBondContact O-N 3.49Å; Q107-Q111 VanDerWaalsContact O-N 3.08Å; A108-Q111 PolarHBondContact O-N 3Å; Q111-K113 VanDerWaalsContact C-N 3.26Å; Q111-K113 PolarHBondContact O-N 3.14Å; Q111-V114 WeakPolarHBondContact O-CB 3.42Å; Q111-V114 PolarHBondContact O-N 3.32Å; Q111-D115 VanDerWaalsContact O-CG 3.31Å; Q111-D115 PolarHBondContact O-N 2.92Å
112	F	93.5	Very high	92.7	Very high	23 Å²	23	85.6 Å²	85.6	10%	0.101	43%	0.432	C	S	.	.	H	α-helix	trans	-54.9	-38.3	177.7	168.9	-103.2	0	0	0	113.6	P52 K53 R54 P55 A108 M109 K110 D115 L116	P52-F112 HydrophobicContact CB-CD2 4.01Å; P52-F112 HydrophobicContact CB-CE2 3.84Å; P52-F112 WeakPolarHBondContact O-CE2 3.46Å; K53-F112 VanDerWaalsContact C-CE2 3.42Å; K53-F112 WeakPolarHBondContact O-CD2 3.49Å; K53-F112 WeakPolarHBondContact O-CE2 3.37Å; R54-F112 HydrophobicContact CB-CZ 4.44Å; R54-F112 HydrophobicContact CG-CE1 3.91Å; R54-F112 HydrophobicContact CG-CE2 4.31Å; R54-F112 HydrophobicContact CG-CZ 3.66Å; P55-F112 HydrophobicContact CG-CB 3.97Å; P55-F112 HydrophobicContact CG-CG 4.35Å; A108-F112 VanDerWaalsContact O-CB 3.26Å; A108-F112 WeakPolarHBondContact O-CB 3.15Å; A108-F112 PolarHBondContact O-N 2.97Å; M109-F112 HydrophobicContact SD-CD1 3.82Å; K110-F112 PolarHBondContact O-N 2.91Å; F112-D115 PolarHBondContact O-N 2.88Å; F112-L116 HydrophobicContact CE1-CD2 4.16Å; F112-L116 HydrophobicContact CZ-CB 4.46Å; F112-L116 HydrophobicContact CZ-CD2 4.02Å; F112-L116 WeakPolarHBondContact O-CB 3.37Å; F112-L116 PolarHBondContact O-N 3.25Å
113	K	94.5	Very high	92.3	Very high	130 Å²	130	82.5 Å²	82.5	57%	0.565	42%	0.418	S	S	*	.	H	α-helix	trans	-64.2	-43.7	177.1	-74.1	175.1	-179.1	-176.4	0	111.5	M109 K110 Q111 L116 Q117	M109-K113 WeakPolarHBondContact O-CG 3.38Å; M109-K113 PolarHBondContact O-N 2.77Å; M109-K113 VanDerWaalsContact O-N 3.14Å; K110-K113 PolarHBondContact O-N 2.92Å; Q111-K113 VanDerWaalsContact C-N 3.26Å; Q111-K113 PolarHBondContact O-N 3.14Å; K113-L116 PolarHBondContact O-N 3.05Å; K113-Q117 WeakPolarHBondContact O-CG 3.36Å; K113-Q117 PolarHBondContact O-N 3.45Å
114	V	94.5	Very high	92.1	Very high	69 Å²	69	80.6 Å²	80.6	42%	0.418	42%	0.415	S	S	.	.	H	α-helix	trans	-63.4	-47.4	177	176.2	0	0	0	0	110.1	K110 Q111 L116 Q117 K118	K110-V114 PolarHBondContact O-N 3.13Å; Q111-V114 WeakPolarHBondContact O-CB 3.42Å; Q111-V114 PolarHBondContact O-N 3.32Å; V114-L116 VanDerWaalsContact C-N 3.31Å; V114-L116 PolarHBondContact O-N 3.4Å; V114-Q117 PolarHBondContact O-N 2.87Å; V114-K118 HydrophobicContact CG1-CD 4.27Å; V114-K118 WeakPolarHBondContact O-CG 3.46Å; V114-K118 PolarHBondContact O-N 3.49Å
115	D	91.9	Very high	92.1	Very high	75 Å²	75	83.7 Å²	83.7	40%	0.401	43%	0.433	S	S	.	.	H	α-helix	trans	-63.5	-38.6	179.7	-61.3	-24.1	0	0	0	111.8	P52 Q111 F112 K118 Y119	P52-D115 HydrophobicContact CB-CB 4.37Å; P52-D115 HydrophobicContact CG-CB 4.2Å; Q111-D115 VanDerWaalsContact O-CG 3.31Å; Q111-D115 PolarHBondContact O-N 2.92Å; F112-D115 PolarHBondContact O-N 2.88Å; D115-K118 PolarHBondContact O-N 3.46Å; D115-Y119 VanDerWaalsContact O-CB 3.26Å; D115-Y119 WeakPolarHBondContact O-CB 3.18Å; D115-Y119 PolarHBondContact O-N 3.01Å
116	L	91.4	Very high	92.1	Very high	50 Å²	50	85.6 Å²	85.6	26%	0.262	45%	0.449	S	S	.	.	H	α-helix	trans	-65.7	-40.3	176.9	-175.6	66.8	0	0	0	112	F112 K113 V114 Y119 Q120	F112-L116 HydrophobicContact CE1-CD2 4.16Å; F112-L116 HydrophobicContact CZ-CB 4.46Å; F112-L116 HydrophobicContact CZ-CD2 4.02Å; F112-L116 WeakPolarHBondContact O-CB 3.37Å; F112-L116 PolarHBondContact O-N 3.25Å; K113-L116 PolarHBondContact O-N 3.05Å; V114-L116 VanDerWaalsContact C-N 3.31Å; V114-L116 PolarHBondContact O-N 3.4Å; L116-Y119 PolarHBondContact O-N 3.21Å; L116-Q120 WeakPolarHBondContact O-CB 3.39Å; L116-Q120 VanDerWaalsContact O-CG 3.25Å; L116-Q120 WeakPolarHBondContact O-CG 3.42Å; L116-Q120 PolarHBondContact O-N 2.98Å
117	Q	91.9	Very high	91.8	Very high	129 Å²	129	86.1 Å²	86.1	60%	0.603	45%	0.446	S	S	*	.	H	α-helix	trans	-64.5	-46.4	175.8	-75.3	174.5	-15.6	0	0	111.2	K113 V114 Y119 Q120 A121	K113-Q117 WeakPolarHBondContact O-CG 3.36Å; K113-Q117 PolarHBondContact O-N 3.45Å; V114-Q117 PolarHBondContact O-N 2.87Å; Q117-Y119 VanDerWaalsContact C-N 3.31Å; Q117-Y119 PolarHBondContact O-N 3.44Å; Q117-Q120 PolarHBondContact O-N 3.26Å; Q117-A121 WeakPolarHBondContact O-CB 3.35Å; Q117-A121 PolarHBondContact O-N 2.9Å
118	K	91.7	Very high	91.6	Very high	127 Å²	127	84.8 Å²	84.8	55%	0.552	44%	0.443	S	S	*	.	H	α-helix	trans	-57.8	-45.7	174.8	-71	176.6	178.9	179.2	0	111.4	V114 D115 A121 Q122	V114-K118 HydrophobicContact CG1-CD 4.27Å; V114-K118 WeakPolarHBondContact O-CG 3.46Å; V114-K118 PolarHBondContact O-N 3.49Å; D115-K118 PolarHBondContact O-N 3.46Å; K118-A121 PolarHBondContact O-N 2.79Å; K118-Q122 WeakPolarHBondContact O-CG 3.44Å; K118-Q122 PolarHBondContact O-N 3.4Å
119	Y	90.3	Very high	91.6	Very high	36 Å²	36	90.4 Å²	90.4	14%	0.141	47%	0.466	C	S	.	.	H	α-helix	trans	-61.8	-45	177.4	178.8	-103.1	0	0	0	112.4	P51 P52 D115 L116 Q117 A121 Q122 L123 Q131	P51-Y119 VanDerWaalsContact CA-CE1 3.46Å; P51-Y119 VanDerWaalsContact CA-CZ 3.41Å; P51-Y119 HydrophobicContact CB-CD1 4.22Å; P51-Y119 HydrophobicContact CB-CE1 3.52Å; P51-Y119 WeakPolarHBondContact CD-OH 3.37Å; P52-Y119 HydrophobicContact CG-CG 4.16Å; D115-Y119 VanDerWaalsContact O-CB 3.26Å; D115-Y119 WeakPolarHBondContact O-CB 3.18Å; D115-Y119 PolarHBondContact O-N 3.01Å; L116-Y119 PolarHBondContact O-N 3.21Å; Q117-Y119 VanDerWaalsContact C-N 3.31Å; Q117-Y119 PolarHBondContact O-N 3.44Å; Y119-A121 VanDerWaalsContact C-N 3.32Å; Y119-A121 PolarHBondContact O-N 3.42Å; Y119-Q122 PolarHBondContact O-N 3.44Å; Y119-L123 HydrophobicContact CD1-CD1 4.03Å; Y119-L123 HydrophobicContact CD1-CG 4.5Å; Y119-L123 HydrophobicContact CE1-CD1 3.58Å; Y119-L123 HydrophobicContact CE1-CD2 4.26Å; Y119-L123 HydrophobicContact CE1-CG 4.12Å; Y119-L123 HydrophobicContact CE2-CD2 4.42Å; Y119-L123 WeakPolarHBondContact O-CG 3.33Å; Y119-L123 PolarHBondContact O-N 3.2Å; Y119-Q131 PolarHBondContact OH-NE2 3.35Å
120	Q	88.1	Confident	91.5	Very high	118 Å²	118	93.3 Å²	93.3	55%	0.551	48%	0.479	S	S	*	.	H	α-helix	trans	-64.3	-36.4	178.6	-75.5	174.3	-3.3	0	0	112.6	L116 Q117 Q122 L123	L116-Q120 WeakPolarHBondContact O-CB 3.39Å; L116-Q120 VanDerWaalsContact O-CG 3.25Å; L116-Q120 WeakPolarHBondContact O-CG 3.42Å; L116-Q120 PolarHBondContact O-N 2.98Å; Q117-Q120 PolarHBondContact O-N 3.26Å; Q120-Q122 VanDerWaalsContact C-N 3.28Å; Q120-Q122 PolarHBondContact O-N 3.18Å; Q120-L123 PolarHBondContact O-N 2.93Å
121	A	89.7	Confident	91.2	Very high	91 Å²	91	88.2 Å²	88.2	75%	0.752	46%	0.457	S	S	*	.	H	α-helix	trans	-68.6	-25.1	176.4	0	0	0	0	0	113.3	Q117 K118 Y119	Q117-A121 WeakPolarHBondContact O-CB 3.35Å; Q117-A121 PolarHBondContact O-N 2.9Å; K118-A121 PolarHBondContact O-N 2.79Å; Y119-A121 VanDerWaalsContact C-N 3.32Å; Y119-A121 PolarHBondContact O-N 3.42Å
122	Q	89.2	Confident	91.2	Very high	156 Å²	156	86.2 Å²	86.2	73%	0.729	45%	0.454	S	S	*	.	H	α-helix	trans	-84.4	-15.6	179.1	-72.1	171.8	-2.9	0	0	113.7	K118 Y119 Q120	K118-Q122 WeakPolarHBondContact O-CG 3.44Å; K118-Q122 PolarHBondContact O-N 3.4Å; Y119-Q122 PolarHBondContact O-N 3.44Å; Q120-Q122 VanDerWaalsContact C-N 3.28Å; Q120-Q122 PolarHBondContact O-N 3.18Å
123	L	87.5	Confident	91.3	Very high	33 Å²	33	89.6 Å²	89.6	17%	0.173	47%	0.473	C	S	.	.			trans	-77.7	135	-174.1	-75.6	170.6	0	0	0	112.8	Y119 Q120 E127 L128	Y119-L123 HydrophobicContact CD1-CD1 4.03Å; Y119-L123 HydrophobicContact CD1-CG 4.5Å; Y119-L123 HydrophobicContact CE1-CD1 3.58Å; Y119-L123 HydrophobicContact CE1-CD2 4.26Å; Y119-L123 HydrophobicContact CE1-CG 4.12Å; Y119-L123 HydrophobicContact CE2-CD2 4.42Å; Y119-L123 WeakPolarHBondContact O-CG 3.33Å; Y119-L123 PolarHBondContact O-N 3.2Å; Q120-L123 PolarHBondContact O-N 2.93Å; L123-E127 HydrophobicContact CD2-CB 4.04Å; L123-L128 HydrophobicContact CD1-CD1 4.45Å
124	S	90.1	Very high	91.3	Very high	54 Å²	54	89.2 Å²	89.2	38%	0.378	47%	0.473	S	S	.	.			trans	-71.8	148.3	167.3	172.3	0	0	0	0	111.3	A126 E127 L128	S124-A126 PolarHBondContact O-N 3.1Å; S124-A126 VanDerWaalsContact O-N 3.15Å; S124-A126 PolarHBondContact OG-N 3.34Å; S124-E127 PolarHBondContact N-OE2 3.37Å; S124-E127 WeakPolarHBondContact O-CB 3.42Å; S124-E127 PolarHBondContact O-N 3.5Å; S124-L128 PolarHBondContact O-N 3.21Å
125	P	91.9	Very high	91.1	Very high	96 Å²	96	91.7 Å²	91.7	62%	0.623	48%	0.478	S	S	*	.	H	α-helix	trans	-53	-34.3	173.2	-27.3	35	0	0	0	113.7	L128 Q129	P125-L128 PolarHBondContact O-N 3.48Å; P125-Q129 WeakPolarHBondContact O-CG 3.25Å; P125-Q129 PolarHBondContact O-N 2.94Å; P125-Q129 VanDerWaalsContact O-N 3.11Å
126	A	92.3	Very high	91.3	Very high	55 Å²	55	97.2 Å²	97.2	46%	0.455	49%	0.493	S	S	.	.	H	α-helix	trans	-67.4	-42.5	177.1	0	0	0	0	0	112.1	S124 L128 Q129 Q130	S124-A126 PolarHBondContact O-N 3.1Å; S124-A126 VanDerWaalsContact O-N 3.15Å; S124-A126 PolarHBondContact OG-N 3.34Å; A126-L128 VanDerWaalsContact C-N 3.34Å; A126-Q129 PolarHBondContact O-N 2.95Å; A126-Q130 WeakPolarHBondContact O-CG 3.49Å; A126-Q130 PolarHBondContact O-N 3.21Å
127	E	90.2	Very high	91.6	Very high	91 Å²	91	101.4 Å²	101.4	43%	0.425	51%	0.512	S	S	.	.	H	α-helix	trans	-66	-39.2	176.8	-63.8	174	148.6	0	0	111.2	L123 S124 Q129 Q130 Q131	L123-E127 HydrophobicContact CD2-CB 4.04Å; S124-E127 PolarHBondContact N-OE2 3.37Å; S124-E127 WeakPolarHBondContact O-CB 3.42Å; S124-E127 PolarHBondContact O-N 3.5Å; E127-Q129 VanDerWaalsContact C-N 3.34Å; E127-Q129 PolarHBondContact O-N 3.37Å; E127-Q130 PolarHBondContact O-N 2.99Å; E127-Q131 WeakPolarHBondContact O-CG 3.33Å; E127-Q131 PolarHBondContact O-N 2.96Å
128	L	89.8	Confident	91.7	Very high	93 Å²	93	102.2 Å²	102.2	49%	0.487	51%	0.509	S	S	.	.	H	α-helix	trans	-57.9	-47.4	174.2	-169.9	89.6	0	0	0	111	L123 S124 P125 A126 Q131 V132	L123-L128 HydrophobicContact CD1-CD1 4.45Å; S124-L128 PolarHBondContact O-N 3.21Å; P125-L128 PolarHBondContact O-N 3.48Å; A126-L128 VanDerWaalsContact C-N 3.34Å; L128-Q131 PolarHBondContact O-N 3.42Å; L128-V132 WeakPolarHBondContact O-CG2 3.49Å; L128-V132 PolarHBondContact O-N 2.95Å
129	Q	92.1	Very high	91.9	Very high	131 Å²	131	101.7 Å²	101.7	61%	0.612	51%	0.51	S	S	*	.	H	α-helix	trans	-61.4	-45.3	177.3	-72.1	178.7	7.1	0	0	111.6	P125 A126 E127 Q131 V132 L133	P125-Q129 WeakPolarHBondContact O-CG 3.25Å; P125-Q129 PolarHBondContact O-N 2.94Å; P125-Q129 VanDerWaalsContact O-N 3.11Å; A126-Q129 PolarHBondContact O-N 2.95Å; E127-Q129 VanDerWaalsContact C-N 3.34Å; E127-Q129 PolarHBondContact O-N 3.37Å; Q129-Q131 VanDerWaalsContact C-N 3.35Å; Q129-Q131 PolarHBondContact O-N 3.34Å; Q129-V132 PolarHBondContact O-N 3.3Å; Q129-L133 WeakPolarHBondContact O-CG 3.5Å; Q129-L133 PolarHBondContact O-N 3.16Å
130	Q	92.1	Very high	92.3	Very high	135 Å²	135	102.7 Å²	102.7	63%	0.631	53%	0.526	S	S	*	.	H	α-helix	trans	-58.5	-45.2	175.9	-72	-179.2	3.8	0	0	111.7	A126 E127 V132 L133 E134	A126-Q130 WeakPolarHBondContact O-CG 3.49Å; A126-Q130 PolarHBondContact O-N 3.21Å; E127-Q130 PolarHBondContact O-N 2.99Å; Q130-V132 VanDerWaalsContact C-N 3.33Å; Q130-V132 PolarHBondContact O-N 3.43Å; Q130-L133 PolarHBondContact O-N 2.9Å; Q130-E134 WeakPolarHBondContact O-CB 3.45Å; Q130-E134 PolarHBondContact O-N 2.94Å
131	Q	90.1	Very high	92.7	Very high	32 Å²	32	104.1 Å²	104.1	15%	0.15	53%	0.53	C	S	.	.	H	α-helix	trans	-62.5	-38.1	176.6	-72.8	-173.5	21.8	0	0	112.8	Y119 E127 L128 Q129 K135	Y119-Q131 PolarHBondContact OH-NE2 3.35Å; E127-Q131 WeakPolarHBondContact O-CG 3.33Å; E127-Q131 PolarHBondContact O-N 2.96Å; L128-Q131 PolarHBondContact O-N 3.42Å; Q129-Q131 VanDerWaalsContact C-N 3.35Å; Q129-Q131 PolarHBondContact O-N 3.34Å; Q131-K135 VanDerWaalsContact O-CB 3.27Å; Q131-K135 WeakPolarHBondContact O-CB 3.45Å; Q131-K135 WeakPolarHBondContact O-CG 3.29Å; Q131-K135 PolarHBondContact O-N 2.87Å
132	V	92.3	Very high	93	Very high	86 Å²	86	107 Å²	107	52%	0.521	52%	0.521	S	S	.	.	H	α-helix	trans	-65	-43.9	176	170.3	0	0	0	0	110.5	L128 Q129 Q130 K135 R136	L128-V132 WeakPolarHBondContact O-CG2 3.49Å; L128-V132 PolarHBondContact O-N 2.95Å; Q129-V132 PolarHBondContact O-N 3.3Å; Q130-V132 VanDerWaalsContact C-N 3.33Å; Q130-V132 PolarHBondContact O-N 3.43Å; V132-K135 PolarHBondContact O-N 2.98Å; V132-R136 WeakPolarHBondContact O-CB 3.41Å; V132-R136 PolarHBondContact O-N 3.1Å
133	L	95.4	Very high	93.4	Very high	95 Å²	95	107.4 Å²	107.4	50%	0.497	52%	0.521	S	S	.	.	H	α-helix	trans	-63.6	-46.8	176.4	-68.3	176.1	0	0	0	111.6	Q129 Q130 K135 R136 Q137	Q129-L133 WeakPolarHBondContact O-CG 3.5Å; Q129-L133 PolarHBondContact O-N 3.16Å; Q130-L133 PolarHBondContact O-N 2.9Å; L133-K135 PolarHBondContact O-N 2.88Å; L133-R136 WeakPolarHBondContact O-CB 3.3Å; L133-R136 PolarHBondContact O-N 3.44Å; L133-R136 VanDerWaalsContact O-N 3.16Å; L133-Q137 WeakPolarHBondContact O-CG 3.36Å; L133-Q137 PolarHBondContact O-N 3.25Å
134	E	93.9	Very high	93.9	Very high	122 Å²	122	108.7 Å²	108.7	57%	0.57	54%	0.536	S	S	*	.	H	α-helix	trans	-60.7	-45.5	177.5	-166.1	-158.1	154.6	0	0	111	Q130 R136 Q137 R138	Q130-E134 WeakPolarHBondContact O-CB 3.45Å; Q130-E134 PolarHBondContact O-N 2.94Å; E134-R136 VanDerWaalsContact C-N 3.34Å; E134-R136 PolarHBondContact O-N 3.39Å; E134-Q137 PolarHBondContact O-N 2.78Å; E134-R138 VanDerWaalsContact O-CB 3.28Å; E134-R138 WeakPolarHBondContact O-CB 3.28Å; E134-R138 PolarHBondContact O-N 3.27Å
135	K	91.8	Very high	94.2	Very high	120 Å²	120	109.7 Å²	109.7	52%	0.522	54%	0.537	S	S	.	.	H	α-helix	trans	-58.7	-44.7	174	-77.5	170.7	-176.8	164.8	0	111.1	Q131 V132 L133 R138 M139	Q131-K135 VanDerWaalsContact O-CB 3.27Å; Q131-K135 WeakPolarHBondContact O-CB 3.45Å; Q131-K135 WeakPolarHBondContact O-CG 3.29Å; Q131-K135 PolarHBondContact O-N 2.87Å; V132-K135 PolarHBondContact O-N 2.98Å; L133-K135 PolarHBondContact O-N 2.88Å; K135-R138 PolarHBondContact O-N 2.95Å; K135-M139 WeakPolarHBondContact O-CB 3.43Å; K135-M139 VanDerWaalsContact O-CG 3.25Å; K135-M139 WeakPolarHBondContact O-CG 3.37Å; K135-M139 PolarHBondContact O-N 3.16Å
136	R	96.2	Very high	94.5	Very high	191 Å²	191	114.2 Å²	114.2	72%	0.721	54%	0.541	S	S	*	.	H	α-helix	trans	-61.8	-46.6	177.6	-174.5	178.1	-180	178.2	0	111.4	V132 L133 E134 M139 A140	V132-R136 WeakPolarHBondContact O-CB 3.41Å; V132-R136 PolarHBondContact O-N 3.1Å; L133-R136 WeakPolarHBondContact O-CB 3.3Å; L133-R136 PolarHBondContact O-N 3.44Å; L133-R136 VanDerWaalsContact O-N 3.16Å; E134-R136 VanDerWaalsContact C-N 3.34Å; E134-R136 PolarHBondContact O-N 3.39Å; R136-M139 PolarHBondContact O-N 3.45Å; R136-A140 WeakPolarHBondContact O-CB 3.2Å; R136-A140 PolarHBondContact O-N 3.48Å
137	Q	96.8	Very high	94.7	Very high	139 Å²	139	117.6 Å²	117.6	65%	0.65	55%	0.546	S	S	*	.	H	α-helix	trans	-62.4	-45.3	177.1	-71.5	178.8	3.5	0	0	111.7	L133 E134 M139 A140 K141	L133-Q137 WeakPolarHBondContact O-CG 3.36Å; L133-Q137 PolarHBondContact O-N 3.25Å; E134-Q137 PolarHBondContact O-N 2.78Å; Q137-M139 VanDerWaalsContact C-N 3.35Å; Q137-M139 PolarHBondContact O-N 3.45Å; Q137-A140 PolarHBondContact O-N 3.45Å; Q137-K141 WeakPolarHBondContact O-CB 3.25Å; Q137-K141 PolarHBondContact O-N 3.33Å
138	R	95.3	Very high	94.9	Very high	145 Å²	145	120 Å²	120	55%	0.547	56%	0.555	S	S	.	*	H	α-helix	trans	-60.3	-43.3	176.5	178	178	163.9	-177.6	-3.7	111.9	E134 K135 R142	E134-R138 VanDerWaalsContact O-CB 3.28Å; E134-R138 WeakPolarHBondContact O-CB 3.28Å; E134-R138 PolarHBondContact O-N 3.27Å; K135-R138 PolarHBondContact O-N 2.95Å; R138-R142 WeakPolarHBondContact O-CG 3.42Å; R138-R142 PolarHBondContact O-N 3.34Å
139	M	95.9	Very high	95.3	Very high	116 Å²	116	124 Å²	124	57%	0.571	56%	0.563	S	S	*	*	H	α-helix	trans	-69.1	-40.7	177.7	-69.7	-58	-72.6	0	0	111.9	K135 R136 Q137 R142 K143	K135-M139 WeakPolarHBondContact O-CB 3.43Å; K135-M139 VanDerWaalsContact O-CG 3.25Å; K135-M139 WeakPolarHBondContact O-CG 3.37Å; K135-M139 PolarHBondContact O-N 3.16Å; R136-M139 PolarHBondContact O-N 3.45Å; Q137-M139 VanDerWaalsContact C-N 3.35Å; Q137-M139 PolarHBondContact O-N 3.45Å; M139-R142 PolarHBondContact O-N 2.84Å; M139-K143 WeakPolarHBondContact O-CB 3.27Å; M139-K143 PolarHBondContact O-N 2.92Å
140	A	97.7	Very high	95.4	Very high	58 Å²	58	121.1 Å²	121.1	48%	0.479	55%	0.55	S	S	.	.	H	α-helix	trans	-60.4	-45.6	173.3	0	0	0	0	0	111.6	R136 Q137 R142 K143 A144	R136-A140 WeakPolarHBondContact O-CB 3.2Å; R136-A140 PolarHBondContact O-N 3.48Å; Q137-A140 PolarHBondContact O-N 3.45Å; A140-R142 PolarHBondContact O-N 3.44Å; A140-K143 PolarHBondContact O-N 3.41Å; A140-A144 WeakPolarHBondContact O-CB 3.4Å; A140-A144 PolarHBondContact O-N 2.84Å
141	K	97.1	Very high	95.6	Very high	148 Å²	148	116 Å²	116	64%	0.643	53%	0.527	S	S	*	.	H	α-helix	trans	-59.4	-46	175.1	-175.6	175.9	-178.7	175.4	0	111.7	Q137 K143 A144 I145	Q137-K141 WeakPolarHBondContact O-CB 3.25Å; Q137-K141 PolarHBondContact O-N 3.33Å; K141-K143 PolarHBondContact O-N 2.99Å; K141-A144 PolarHBondContact O-N 3.49Å; K141-I145 HydrophobicContact CG-CD1 4.02Å; K141-I145 VanDerWaalsContact O-CG1 3.29Å; K141-I145 WeakPolarHBondContact O-CG1 3.26Å; K141-I145 PolarHBondContact O-N 2.94Å
142	R	96.3	Very high	95.8	Very high	150 Å²	150	119.6 Å²	119.6	57%	0.566	55%	0.547	S	S	*	.	H	α-helix	trans	-60.6	-43.6	175.6	-79.8	178.6	150.6	-159.6	-8.6	112.3	R138 M139 A140 I145 R146	R138-R142 WeakPolarHBondContact O-CG 3.42Å; R138-R142 PolarHBondContact O-N 3.34Å; M139-R142 PolarHBondContact O-N 2.84Å; A140-R142 PolarHBondContact O-N 3.44Å; R142-I145 PolarHBondContact O-N 3.36Å; R142-R146 WeakPolarHBondContact O-CB 3.42Å; R142-R146 PolarHBondContact O-N 3.43Å
143	K	97.3	Very high	96	Very high	165 Å²	165	121.7 Å²	121.7	72%	0.717	56%	0.56	S	S	*	*	H	α-helix	trans	-63.4	-43.6	176.9	-172.4	177.1	-179.7	178.7	0	111.2	M139 A140 K141 R146 K147	M139-K143 WeakPolarHBondContact O-CB 3.27Å; M139-K143 PolarHBondContact O-N 2.92Å; A140-K143 PolarHBondContact O-N 3.41Å; K141-K143 PolarHBondContact O-N 2.99Å; K143-R146 PolarHBondContact O-N 3.16Å; K143-K147 WeakPolarHBondContact O-CB 3.28Å; K143-K147 PolarHBondContact O-N 3.46Å
144	A	97.3	Very high	96	Very high	60 Å²	60	119.4 Å²	119.4	50%	0.496	55%	0.548	S	S	.	.	H	α-helix	trans	-62.5	-43.8	176.5	0	0	0	0	0	112.2	A140 K141 K147 K148	A140-A144 WeakPolarHBondContact O-CB 3.4Å; A140-A144 PolarHBondContact O-N 2.84Å; K141-A144 PolarHBondContact O-N 3.49Å; A144-K147 PolarHBondContact O-N 3.46Å; A144-K148 WeakPolarHBondContact O-CB 3.43Å; A144-K148 PolarHBondContact O-N 2.91Å
145	I	96.9	Very high	96.1	Very high	75 Å²	75	116.1 Å²	116.1	39%	0.385	55%	0.547	S	S	.	.	H	α-helix	trans	-63	-44.4	175.8	-68.2	166	0	0	0	111	K141 R142 K148 R149	K141-I145 HydrophobicContact CG-CD1 4.02Å; K141-I145 VanDerWaalsContact O-CG1 3.29Å; K141-I145 WeakPolarHBondContact O-CG1 3.26Å; K141-I145 PolarHBondContact O-N 2.94Å; R142-I145 PolarHBondContact O-N 3.36Å; I145-K148 PolarHBondContact O-N 3.31Å; I145-R149 WeakPolarHBondContact O-CG 3.45Å; I145-R149 PolarHBondContact O-N 3.31Å
146	R	97.4	Very high	96.3	Very high	192 Å²	192	114.1 Å²	114.1	73%	0.725	54%	0.538	S	S	*	.	H	α-helix	trans	-60.3	-48.3	177.2	-175	-177	-68.9	177.1	-4	111.1	R142 K143 K148 R149 E150	R142-R146 WeakPolarHBondContact O-CB 3.42Å; R142-R146 PolarHBondContact O-N 3.43Å; K143-R146 PolarHBondContact O-N 3.16Å; R146-K148 VanDerWaalsContact C-N 3.33Å; R146-K148 PolarHBondContact O-N 2.89Å; R146-R149 PolarHBondContact O-N 3.47Å; R146-E150 PolarHBondContact O-N 2.98Å
147	K	96.1	Very high	96.3	Very high	126 Å²	126	105.9 Å²	105.9	55%	0.548	51%	0.509	S	S	.	.	H	α-helix	trans	-58.7	-44	176.2	-173.9	175.9	-177.5	176	0	111.4	K143 A144 R149 E150 L151	K143-K147 WeakPolarHBondContact O-CB 3.28Å; K143-K147 PolarHBondContact O-N 3.46Å; A144-K147 PolarHBondContact O-N 3.46Å; K147-R149 PolarHBondContact O-N 3.29Å; K147-E150 PolarHBondContact O-N 3.2Å; K147-L151 HydrophobicContact CG-CD1 4.35Å; K147-L151 VanDerWaalsContact O-CG 3.28Å; K147-L151 WeakPolarHBondContact O-CG 3.44Å; K147-L151 PolarHBondContact O-N 2.89Å
148	K	96.1	Very high	96.3	Very high	141 Å²	141	107.4 Å²	107.4	61%	0.613	51%	0.514	S	S	*	.	H	α-helix	trans	-61.6	-43.3	176.8	-174.3	177.3	-179.7	178.9	0	112.1	A144 I145 R146 L151 N152	A144-K148 WeakPolarHBondContact O-CB 3.43Å; A144-K148 PolarHBondContact O-N 2.91Å; I145-K148 PolarHBondContact O-N 3.31Å; R146-K148 VanDerWaalsContact C-N 3.33Å; R146-K148 PolarHBondContact O-N 2.89Å; K148-L151 PolarHBondContact O-N 3.42Å; K148-N152 PolarHBondContact O-N 2.9Å; K148-N152 PolarHBondContact O-OD1 2.97Å
149	R	96.6	Very high	96.3	Very high	176 Å²	176	107.9 Å²	107.9	66%	0.664	52%	0.522	S	S	*	.	H	α-helix	trans	-63.1	-44	176.8	-72.1	177.4	-176.6	-172.6	-0.7	111.9	I145 R146 K147 L151 N152 V153	I145-R149 WeakPolarHBondContact O-CG 3.45Å; I145-R149 PolarHBondContact O-N 3.31Å; R146-R149 PolarHBondContact O-N 3.47Å; K147-R149 PolarHBondContact O-N 3.29Å; R149-L151 PolarHBondContact O-N 2.92Å; R149-N152 WeakPolarHBondContact O-CB 3.23Å; R149-N152 PolarHBondContact O-N 2.87Å; R149-V153 WeakPolarHBondContact O-CG2 3.45Å; R149-V153 PolarHBondContact O-N 3.35Å
150	E	95.2	Very high	96.3	Very high	71 Å²	71	104.9 Å²	104.9	33%	0.332	51%	0.512	S	S	.	.	H	α-helix	trans	-57.6	-48.6	174.9	-178	-176.1	179.4	0	0	111.1	R146 K147 N152 V153 L154 R229	R146-E150 PolarHBondContact O-N 2.98Å; K147-E150 PolarHBondContact O-N 3.2Å; E150-N152 VanDerWaalsContact C-N 3.29Å; E150-N152 PolarHBondContact O-N 2.96Å; E150-V153 PolarHBondContact O-N 3.36Å; E150-L154 HydrophobicContact CG-CD1 4.12Å; E150-L154 WeakPolarHBondContact O-CG 3.29Å; E150-L154 PolarHBondContact O-N 3.42Å; E150-R229 IonicContact OE1-CZ 3.54Å; E150-R229 VanDerWaalsContact OE1-CZ 3.29Å; E150-R229 IonicContact OE1-NH1 3.48Å; E150-R229 PolarHBondContact OE1-NH1 3.46Å; E150-R229 IonicContact OE1-NH2 2.83Å; E150-R229 PolarHBondContact OE1-NH2 3.39Å
151	L	95.9	Very high	96.2	Very high	27 Å²	27	108.3 Å²	108.3	14%	0.141	51%	0.513	C	S	.	.	H	α-helix	trans	-61.7	-36.3	177.1	-67.2	176.9	0	0	0	112.9	K147 K148 R149 L154 G155 K156 W220 L232	K147-L151 HydrophobicContact CG-CD1 4.35Å; K147-L151 VanDerWaalsContact O-CG 3.28Å; K147-L151 WeakPolarHBondContact O-CG 3.44Å; K147-L151 PolarHBondContact O-N 2.89Å; K148-L151 PolarHBondContact O-N 3.42Å; R149-L151 PolarHBondContact O-N 2.92Å; L151-L154 PolarHBondContact O-N 2.87Å; L151-G155 PolarHBondContact O-N 3.25Å; L151-K156 HydrophobicContact CB-CB 4.19Å; L151-K156 HydrophobicContact CB-CD 4.21Å; L151-K156 HydrophobicContact CD1-CD 4.09Å; L151-K156 HydrophobicContact CD2-CD 3.95Å; L151-K156 HydrophobicContact CG-CD 4.3Å; L151-K156 VanDerWaalsContact O-CB 3.26Å; L151-K156 WeakPolarHBondContact O-CB 3.49Å; L151-K156 PolarHBondContact O-N 3.34Å; L151-W220 HydrophobicContact CD2-CH2 4.39Å; L151-W220 HydrophobicContact CD2-CZ2 4.49Å; L151-L232 HydrophobicContact CD2-CD1 4.32Å; L151-L232 HydrophobicContact CD2-CD2 4.09Å
152	N	95.4	Very high	96.2	Very high	108 Å²	108	104.5 Å²	104.5	58%	0.578	50%	0.502	S	S	*	.	H	α-helix	trans	-67.6	-40.8	175.7	-71.2	1.9	0	0	0	111.8	K148 R149 E150 L154 G155	K148-N152 PolarHBondContact O-N 2.9Å; K148-N152 PolarHBondContact O-OD1 2.97Å; R149-N152 WeakPolarHBondContact O-CB 3.23Å; R149-N152 PolarHBondContact O-N 2.87Å; E150-N152 VanDerWaalsContact C-N 3.29Å; E150-N152 PolarHBondContact O-N 2.96Å; N152-L154 VanDerWaalsContact C-N 3.31Å; N152-G155 PolarHBondContact O-N 3.09Å; N152-G155 VanDerWaalsContact O-N 3.1Å
153	V	96	Very high	96.3	Very high	130 Å²	130	99.1 Å²	99.1	79%	0.788	49%	0.486	S	S	*	.	H	α-helix	trans	-65.3	-37.2	176.4	170.8	0	0	0	0	110.9	R149 E150 G155	R149-V153 WeakPolarHBondContact O-CG2 3.45Å; R149-V153 PolarHBondContact O-N 3.35Å; E150-V153 PolarHBondContact O-N 3.36Å; V153-G155 PolarHBondContact O-N 3.44Å; V153-G155 VanDerWaalsContact O-N 3.16Å
154	L	95	Very high	96.3	Very high	48 Å²	48	93.3 Å²	93.3	25%	0.251	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	6.6	173.8	-65.3	173.2	0	0	0	113.7	E150 L151 N152 K156 W220 M224 L232	E150-L154 HydrophobicContact CG-CD1 4.12Å; E150-L154 WeakPolarHBondContact O-CG 3.29Å; E150-L154 PolarHBondContact O-N 3.42Å; L151-L154 PolarHBondContact O-N 2.87Å; N152-L154 VanDerWaalsContact C-N 3.31Å; L154-K156 VanDerWaalsContact C-N 3.28Å; L154-K156 PolarHBondContact O-N 3.49Å; L154-W220 PolarHBondContact O-NE1 2.92Å; L154-M224 HydrophobicContact CD1-SD 4.24Å; L154-L232 HydrophobicContact CD1-CD1 3.33Å
155	G	95.4	Very high	96.3	Very high	53 Å²	53	93.5 Å²	93.5	55%	0.546	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	29.9	176.9	0	0	0	0	0	113.9	L151 N152 V153 P157	L151-G155 PolarHBondContact O-N 3.25Å; N152-G155 PolarHBondContact O-N 3.09Å; N152-G155 VanDerWaalsContact O-N 3.1Å; V153-G155 PolarHBondContact O-N 3.44Å; V153-G155 VanDerWaalsContact O-N 3.16Å; G155-P157 WeakPolarHBondContact O-CD 3.27Å
156	K	96.1	Very high	96.3	Very high	77 Å²	77	90.6 Å²	90.6	34%	0.335	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-57.5	126.2	-178.1	-176.8	170.6	-179.9	167.1	0	110.9	L151 L154 K158 W220	L151-K156 HydrophobicContact CB-CB 4.19Å; L151-K156 HydrophobicContact CB-CD 4.21Å; L151-K156 HydrophobicContact CD1-CD 4.09Å; L151-K156 HydrophobicContact CD2-CD 3.95Å; L151-K156 HydrophobicContact CG-CD 4.3Å; L151-K156 VanDerWaalsContact O-CB 3.26Å; L151-K156 WeakPolarHBondContact O-CB 3.49Å; L151-K156 PolarHBondContact O-N 3.34Å; L154-K156 VanDerWaalsContact C-N 3.28Å; L154-K156 PolarHBondContact O-N 3.49Å; K156-K158 PolarHBondContact O-N 3.02Å; K156-W220 HydrophobicContact CB-CH2 4.41Å; K156-W220 HydrophobicContact CB-CZ2 3.78Å; K156-W220 HydrophobicContact CD-CH2 3.89Å; K156-W220 HydrophobicContact CD-CZ2 4.11Å; K156-W220 HydrophobicContact CD-CZ3 4.34Å; K156-W220 HydrophobicContact CG-CD2 4.39Å; K156-W220 HydrophobicContact CG-CH2 4.09Å; K156-W220 HydrophobicContact CG-CZ2 3.92Å; K156-W220 HydrophobicContact CG-CZ3 4.41Å
157	P	97.3	Very high	96.3	Very high	18 Å²	18	82.1 Å²	82.1	12%	0.117	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-50.5	135.6	177.8	-34	39.2	0	0	0	113.4	G155 Y213 E216 I217 W220	G155-P157 WeakPolarHBondContact O-CD 3.27Å; P157-Y213 HydrophobicContact CB-CD2 4.28Å; P157-Y213 HydrophobicContact CB-CE2 4.33Å; P157-E216 HydrophobicContact CB-CB 3.83Å; P157-E216 WeakPolarHBondContact CB-OE2 3.32Å; P157-E216 HydrophobicContact CG-CB 3.7Å; P157-I217 HydrophobicContact CB-CD1 4.44Å; P157-I217 HydrophobicContact CG-CD1 4.33Å; P157-W220 VanDerWaalsContact CD-CG 3.42Å; P157-W220 HydrophobicContact CG-CB 3.83Å; P157-W220 HydrophobicContact CG-CG 4.15Å
158	K	96	Very high	96.2	Very high	171 Å²	171	78.2 Å²	78.2	74%	0.743	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-68	142	172.9	-70.1	-176.7	-178.4	174.5	0	109.4	K156 R212 Y213	K156-K158 PolarHBondContact O-N 3.02Å; K158-R212 PolarHBondContact O-NH2 3.41Å; K158-Y213 WeakPolarHBondContact O-CD2 3.19Å
159	Q	94.6	Very high	96.2	Very high	156 Å²	156	74.4 Å²	74.4	73%	0.729	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-57.7	159	177.4	-69.7	-173	-4	0	0	111.8
160	C	96.3	Very high	96.2	Very high	53 Å²	53	70.7 Å²	70.7	36%	0.358	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-61.1	139.4	176.8	52.5	0	0	0	0	111.5	D209 K210	C160-D209 WeakPolarHBondContact CA-OD2 3.45Å; C160-K210 HydrophobicContact CB-CG 4.18Å
161	R	96.8	Very high	96.1	Very high	130 Å²	130	69.7 Å²	69.7	49%	0.491	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-77.1	139.1	176.9	-60.6	-175	-173.8	-173.8	5.8	109.4	N165 I166 D209	R161-N165 HydrophobicContact CB-CB 4.28Å; R161-I166 HydrophobicContact CB-CD1 4.22Å; R161-I166 HydrophobicContact CB-CG1 3.78Å; R161-D209 PolarHBondContact N-OD2 2.96Å
162	T	97.4	Very high	96.1	Very high	67 Å²	67	71.9 Å²	71.9	41%	0.411	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-79	159.4	170.4	73.1	0	0	0	0	110.1	F164 N165 I166	T162-F164 PolarHBondContact O-N 3.08Å; T162-N165 WeakPolarHBondContact CB-OD1 3.33Å; T162-N165 WeakPolarHBondContact CG2-OD1 3.36Å; T162-N165 PolarHBondContact N-OD1 3.08Å; T162-N165 WeakPolarHBondContact O-CA 3.35Å; T162-N165 WeakPolarHBondContact O-CB 3.45Å; T162-N165 PolarHBondContact O-N 3.24Å; T162-N165 VanDerWaalsContact OG1-CG 3.29Å; T162-N165 PolarHBondContact OG1-N 3.14Å; T162-N165 PolarHBondContact OG1-OD1 3.42Å; T162-I166 PolarHBondContact O-N 3.3Å; T162-I166 VanDerWaalsContact O-N 3.15Å
163	P	97.9	Very high	95.9	Very high	37 Å²	37	74.8 Å²	74.8	24%	0.24	39%	0.386	C	S	.	.	H	α-helix	trans	-52	-43.2	177	-27.1	34.8	0	0	0	112.4	N165 I166 Y167 W191 I203 A206	P163-N165 PolarHBondContact O-N 2.83Å; P163-I166 PolarHBondContact O-N 3.42Å; P163-Y167 PolarHBondContact O-N 2.9Å; P163-W191 HydrophobicContact CB-CH2 3.74Å; P163-W191 HydrophobicContact CB-CZ2 3.91Å; P163-I203 HydrophobicContact CB-CG1 4.29Å; P163-I203 HydrophobicContact CG-CG1 4.06Å; P163-A206 HydrophobicContact CB-CB 4.43Å; P163-A206 HydrophobicContact CG-CB 3.7Å
164	F	96.4	Very high	95.7	Very high	43 Å²	43	76.2 Å²	76.2	19%	0.189	39%	0.385	C	S	.	.	H	α-helix	trans	-65.1	-36.3	175.8	177.6	-114	0	0	0	112.9	T162 I166 Y167 M168 L188 W191	T162-F164 PolarHBondContact O-N 3.08Å; F164-I166 VanDerWaalsContact C-N 3.26Å; F164-I166 PolarHBondContact O-N 3.04Å; F164-Y167 HydrophobicContact CD2-CD1 4.17Å; F164-Y167 HydrophobicContact CE2-CD1 4.24Å; F164-M168 HydrophobicContact CE1-SD 4.07Å; F164-M168 HydrophobicContact CE2-CB 4.44Å; F164-M168 HydrophobicContact CZ-CB 4.33Å; F164-M168 HydrophobicContact CZ-SD 4.32Å; F164-M168 WeakPolarHBondContact O-CB 3.41Å; F164-M168 PolarHBondContact O-N 3.11Å; F164-L188 HydrophobicContact CE1-CD1 4.3Å; F164-L188 HydrophobicContact CE2-CB 4.5Å; F164-L188 HydrophobicContact CZ-CB 4.13Å; F164-L188 HydrophobicContact CZ-CD1 4.13Å; F164-L188 HydrophobicContact CZ-CG 4.28Å; F164-W191 HydrophobicContact CB-CD2 4.34Å; F164-W191 HydrophobicContact CB-CZ2 4.36Å; F164-W191 HydrophobicContact CD2-CB 3.67Å; F164-W191 AromaticContact CD2-CD1 3.66Å; F164-W191 AromaticContact CD2-CD2 3.77Å; F164-W191 HydrophobicContact CD2-CD2 3.77Å; F164-W191 HydrophobicContact CD2-CE3 4.41Å; F164-W191 AromaticContact CD2-CG 3.39Å; F164-W191 HydrophobicContact CD2-CG 3.39Å; F164-W191 HydrophobicContact CE2-CB 3.73Å; F164-W191 AromaticContact CE2-CG 3.98Å; F164-W191 HydrophobicContact CE2-CG 3.98Å; F164-W191 HydrophobicContact CG-CG 4.35Å
165	N	96.9	Very high	95.6	Very high	64 Å²	64	74.4 Å²	74.4	34%	0.342	38%	0.376	S	S	.	.	H	α-helix	trans	-65	-32.7	176.4	-70	118.6	0	0	0	112.5	R161 T162 P163 S169	R161-N165 HydrophobicContact CB-CB 4.28Å; T162-N165 WeakPolarHBondContact CB-OD1 3.33Å; T162-N165 WeakPolarHBondContact CG2-OD1 3.36Å; T162-N165 PolarHBondContact N-OD1 3.08Å; T162-N165 WeakPolarHBondContact O-CA 3.35Å; T162-N165 WeakPolarHBondContact O-CB 3.45Å; T162-N165 PolarHBondContact O-N 3.24Å; T162-N165 VanDerWaalsContact OG1-CG 3.29Å; T162-N165 PolarHBondContact OG1-N 3.14Å; T162-N165 PolarHBondContact OG1-OD1 3.42Å; P163-N165 PolarHBondContact O-N 2.83Å; N165-S169 WeakPolarHBondContact O-CB 3.26Å; N165-S169 PolarHBondContact O-N 3.13Å; N165-S169 VanDerWaalsContact O-N 3.11Å; N165-S169 PolarHBondContact O-OG 3.12Å
166	I	97.3	Very high	95.3	Very high	14 Å²	14	81.2 Å²	81.2	7%	0.072	39%	0.386	C	S	.	.	H	α-helix	trans	-70.9	-54.4	177.3	-60.3	173.6	0	0	0	109	R161 T162 P163 F164 M168 S169 E170 Y202 L205 A206	R161-I166 HydrophobicContact CB-CD1 4.22Å; R161-I166 HydrophobicContact CB-CG1 3.78Å; T162-I166 PolarHBondContact O-N 3.3Å; T162-I166 VanDerWaalsContact O-N 3.15Å; P163-I166 PolarHBondContact O-N 3.42Å; F164-I166 VanDerWaalsContact C-N 3.26Å; F164-I166 PolarHBondContact O-N 3.04Å; I166-M168 VanDerWaalsContact C-N 3.34Å; I166-M168 PolarHBondContact O-N 3.5Å; I166-S169 PolarHBondContact O-N 2.94Å; I166-S169 PolarHBondContact O-OG 3.14Å; I166-E170 WeakPolarHBondContact CG2-OE1 2.96Å; I166-E170 PolarHBondContact O-N 2.71Å; I166-E170 VanDerWaalsContact O-N 3.14Å; I166-Y202 HydrophobicContact CB-CD1 4.44Å; I166-Y202 HydrophobicContact CG2-CD1 4.08Å; I166-L205 HydrophobicContact CD1-CB 3.75Å; I166-L205 HydrophobicContact CG2-CB 4.4Å; I166-L205 HydrophobicContact CG2-CD1 3.98Å; I166-A206 HydrophobicContact CD1-CB 4Å
167	Y	97	Very high	95	Very high	14 Å²	14	79.3 Å²	79.3	6%	0.055	39%	0.388	C	S	.	.	H	α-helix	trans	-50.8	-52	173.1	173.5	-98.2	0	0	0	112	P163 F164 S169 E170 H171 L187 D190 W191 L194 Y202	P163-Y167 PolarHBondContact O-N 2.9Å; F164-Y167 HydrophobicContact CD2-CD1 4.17Å; F164-Y167 HydrophobicContact CE2-CD1 4.24Å; Y167-S169 PolarHBondContact O-N 3.01Å; Y167-E170 PolarHBondContact O-N 3.31Å; Y167-E170 VanDerWaalsContact O-N 3.12Å; Y167-H171 AromaticContact CD2-CD2 3.24Å; Y167-H171 WeakPolarHBondContact CD2-CD2 3.31Å; Y167-H171 AromaticContact CD2-NE2 3.72Å; Y167-H171 HydrophobicContact CE2-CB 4.45Å; Y167-H171 AromaticContact CE2-CD2 3.18Å; Y167-H171 WeakPolarHBondContact CE2-CD2 3.23Å; Y167-H171 AromaticContact CE2-CG 3.72Å; Y167-H171 AromaticContact CE2-NE2 3.56Å; Y167-H171 AromaticContact CG-CD2 3.94Å; Y167-H171 AromaticContact CZ-CD2 3.84Å; Y167-H171 AromaticContact CZ-CG 3.96Å; Y167-H171 PolarHBondContact O-CD2 3.11Å; Y167-H171 VanDerWaalsContact O-CD2 3.24Å; Y167-H171 PolarHBondContact O-N 2.97Å; Y167-L187 HydrophobicContact CE1-CD2 4.07Å; Y167-D190 WeakPolarHBondContact OH-CB 3.33Å; Y167-W191 HydrophobicContact CD1-CB 4.06Å; Y167-W191 HydrophobicContact CD1-CD2 4.33Å; Y167-W191 AromaticContact CD1-CE3 3.66Å; Y167-W191 HydrophobicContact CD1-CE3 3.66Å; Y167-W191 HydrophobicContact CD1-CZ3 4.49Å; Y167-W191 AromaticContact CD2-CE3 3.91Å; Y167-W191 HydrophobicContact CD2-CE3 3.91Å; Y167-W191 HydrophobicContact CD2-CZ3 4.18Å; Y167-W191 HydrophobicContact CE1-CB 3.94Å; Y167-W191 HydrophobicContact CE1-CE3 4.31Å; Y167-W191 HydrophobicContact CG-CD2 4.47Å; Y167-W191 AromaticContact CG-CE3 3.44Å; Y167-W191 HydrophobicContact CG-CE3 3.44Å; Y167-W191 VanDerWaalsContact CG-CE3 3.44Å; Y167-W191 AromaticContact CG-CZ3 3.84Å; Y167-W191 HydrophobicContact CG-CZ3 3.84Å; Y167-L194 HydrophobicContact CE2-CD1 3.97Å; Y167-Y202 HydrophobicContact CD2-CD2 4.5Å; Y167-Y202 HydrophobicContact CD2-CE1 4.06Å; Y167-Y202 AromaticContact CD2-CE2 3.82Å; Y167-Y202 HydrophobicContact CD2-CE2 3.82Å; Y167-Y202 AromaticContact CD2-CZ 3.57Å
168	M	95.6	Very high	94.7	Very high	44 Å²	44	85.4 Å²	85.4	22%	0.217	43%	0.425	C	S	.	.	H	α-helix	trans	-58.9	-34.5	179.3	-178	-173.9	69.5	0	0	111.8	F164 I166 F172 L184 L187	F164-M168 HydrophobicContact CE1-SD 4.07Å; F164-M168 HydrophobicContact CE2-CB 4.44Å; F164-M168 HydrophobicContact CZ-CB 4.33Å; F164-M168 HydrophobicContact CZ-SD 4.32Å; F164-M168 WeakPolarHBondContact O-CB 3.41Å; F164-M168 PolarHBondContact O-N 3.11Å; I166-M168 VanDerWaalsContact C-N 3.34Å; I166-M168 PolarHBondContact O-N 3.5Å; M168-F172 VanDerWaalsContact O-CB 3.23Å; M168-F172 WeakPolarHBondContact O-CB 3.4Å; M168-F172 PolarHBondContact O-N 3.45Å; M168-F172 VanDerWaalsContact O-N 3.13Å; M168-L184 HydrophobicContact CG-CD2 4.15Å; M168-L184 HydrophobicContact SD-CD2 3.4Å; M168-L184 WeakPolarHBondContact SD-CD2 3.34Å; M168-L187 HydrophobicContact CG-CD1 3.96Å
169	S	95.3	Very high	94.7	Very high	61 Å²	61	81.2 Å²	81.2	43%	0.427	41%	0.414	S	S	.	.	H	α-helix	trans	-73.6	-30.3	178.9	65	0	0	0	0	113.9	N165 I166 Y167	N165-S169 WeakPolarHBondContact O-CB 3.26Å; N165-S169 PolarHBondContact O-N 3.13Å; N165-S169 VanDerWaalsContact O-N 3.11Å; N165-S169 PolarHBondContact O-OG 3.12Å; I166-S169 PolarHBondContact O-N 2.94Å; I166-S169 PolarHBondContact O-OG 3.14Å; Y167-S169 PolarHBondContact O-N 3.01Å
170	E	95.9	Very high	94.6	Very high	98 Å²	98	78 Å²	78	46%	0.458	41%	0.405	S	S	.	.	H	α-helix	trans	-77.7	-45.5	177.1	-69.1	172.1	-160.4	0	0	110.7	I166 Y167 F172 Y202	I166-E170 WeakPolarHBondContact CG2-OE1 2.96Å; I166-E170 PolarHBondContact O-N 2.71Å; I166-E170 VanDerWaalsContact O-N 3.14Å; Y167-E170 PolarHBondContact O-N 3.31Å; Y167-E170 VanDerWaalsContact O-N 3.12Å; E170-F172 PolarHBondContact O-N 2.9Å; E170-Y202 WeakPolarHBondContact OE2-CE1 3.49Å
171	H	94.8	Very high	94.5	Very high	51 Å²	51	81.6 Å²	81.6	24%	0.236	42%	0.416	C	S	.	.	H	α-helix	trans	-90.4	1.6	-173.3	-64.8	-79.6	0	0	0	113.9	Y167 Q173 E174 A175 L187 Y202	Y167-H171 AromaticContact CD2-CD2 3.24Å; Y167-H171 WeakPolarHBondContact CD2-CD2 3.31Å; Y167-H171 AromaticContact CD2-NE2 3.72Å; Y167-H171 HydrophobicContact CE2-CB 4.45Å; Y167-H171 AromaticContact CE2-CD2 3.18Å; Y167-H171 WeakPolarHBondContact CE2-CD2 3.23Å; Y167-H171 AromaticContact CE2-CG 3.72Å; Y167-H171 AromaticContact CE2-NE2 3.56Å; Y167-H171 AromaticContact CG-CD2 3.94Å; Y167-H171 AromaticContact CZ-CD2 3.84Å; Y167-H171 AromaticContact CZ-CG 3.96Å; Y167-H171 PolarHBondContact O-CD2 3.11Å; Y167-H171 VanDerWaalsContact O-CD2 3.24Å; Y167-H171 PolarHBondContact O-N 2.97Å; H171-Q173 VanDerWaalsContact C-N 3.32Å; H171-Q173 PolarHBondContact O-N 3.29Å; H171-E174 PolarHBondContact O-N 3.31Å; H171-A175 PolarHBondContact O-N 3.01Å; H171-A175 VanDerWaalsContact O-N 3.08Å; H171-L187 HydrophobicContact CB-CD2 3.52Å; H171-Y202 PolarHBondContact NE2-OH 2.78Å; H171-Y202 VanDerWaalsContact NE2-OH 3.1Å
172	F	94.2	Very high	94.5	Very high	72 Å²	72	77.3 Å²	77.3	32%	0.316	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-37.3	-174.7	-164.1	-104.3	0	0	0	114.1	M168 E170 T180 K183 L184 L187	M168-F172 VanDerWaalsContact O-CB 3.23Å; M168-F172 WeakPolarHBondContact O-CB 3.4Å; M168-F172 PolarHBondContact O-N 3.45Å; M168-F172 VanDerWaalsContact O-N 3.13Å; E170-F172 PolarHBondContact O-N 2.9Å; F172-T180 HydrophobicContact CE2-CG2 4.37Å; F172-T180 HydrophobicContact CZ-CG2 3.72Å; F172-K183 HydrophobicContact CE2-CB 4.29Å; F172-K183 HydrophobicContact CZ-CD 4.39Å; F172-L184 HydrophobicContact CD2-CD2 4.47Å; F172-L184 HydrophobicContact CE2-CD2 3.98Å; F172-L184 HydrophobicContact CE2-CG 4.27Å; F172-L187 HydrophobicContact CD2-CD1 3.91Å
173	Q	92.4	Very high	94.4	Very high	170 Å²	170	76.3 Å²	76.3	79%	0.794	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-44	-175.4	-62.6	-174.9	13.8	0	0	110.5	H171 A175 K183	H171-Q173 VanDerWaalsContact C-N 3.32Å; H171-Q173 PolarHBondContact O-N 3.29Å; Q173-A175 VanDerWaalsContact C-N 3.34Å; Q173-K183 PolarHBondContact O-NZ 3.05Å; Q173-K183 VanDerWaalsContact O-NZ 3.16Å
174	E	92	Very high	94.3	Very high	160 Å²	160	77.8 Å²	77.8	75%	0.748	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-11.3	-177	-60.2	176.6	-174.6	0	0	113.7	H171	H171-E174 PolarHBondContact O-N 3.31Å
175	A	92.4	Very high	94.2	Very high	10 Å²	10	82 Å²	82	8%	0.083	42%	0.422	C	S	.	.			trans	-57.7	138.8	-179.7	0	0	0	0	0	113.1	H171 Q173 K183 L187	H171-A175 PolarHBondContact O-N 3.01Å; H171-A175 VanDerWaalsContact O-N 3.08Å; Q173-A175 VanDerWaalsContact C-N 3.34Å; A175-K183 HydrophobicContact CB-CB 3.79Å; A175-K183 HydrophobicContact CB-CD 4.19Å; A175-K183 HydrophobicContact CB-CG 4.03Å; A175-K183 WeakPolarHBondContact O-CE 3.43Å; A175-L187 HydrophobicContact CB-CD1 3.8Å; A175-L187 HydrophobicContact CB-CD2 3.88Å; A175-L187 HydrophobicContact CB-CG 3.62Å
176	R	89.6	Confident	94.2	Very high	196 Å²	196	79.9 Å²	79.9	74%	0.74	41%	0.413	S	S	*	.	S	Bend	trans	-70.8	135.2	179.7	-58.9	176.3	-176	172.2	1.9	111	K183	R176-K183 WeakPolarHBondContact O-CA 3.42Å
177	G	89.8	Confident	94.1	Very high	37 Å²	37	79.2 Å²	79.2	38%	0.381	41%	0.409	S	S	.	.			trans	121.8	144.5	175.4	0	0	0	0	0	113.4	K183	G177-K183 WeakPolarHBondContact O-CE 3.27Å; G177-K183 VanDerWaalsContact O-CG 3.26Å; G177-K183 WeakPolarHBondContact O-CG 3.5Å
178	T	90.2	Very high	94.1	Very high	145 Å²	145	81.7 Å²	81.7	89%	0.89	42%	0.423	S	S	*	.	S	Bend	trans	-77.8	-38.7	-180	49.1	0	0	0	0	111.9
179	T	95.6	Very high	94.1	Very high	84 Å²	84	83.1 Å²	83.1	52%	0.515	43%	0.432	S	S	.	.	S	Bend	trans	-90.8	142	179.5	-51.5	0	0	0	0	111.2	Q181 A182 K183	T179-Q181 HydrophobicContact CG2-CB 4.31Å; T179-Q181 PolarHBondContact O-N 2.94Å; T179-Q181 VanDerWaalsContact O-N 3.11Å; T179-A182 WeakPolarHBondContact O-CA 3.45Å; T179-A182 WeakPolarHBondContact O-CB 3.36Å; T179-A182 PolarHBondContact O-N 3.17Å; T179-K183 PolarHBondContact O-N 2.94Å
180	T	93.3	Very high	94.1	Very high	88 Å²	88	82.9 Å²	82.9	54%	0.54	43%	0.426	S	S	.	.	H	α-helix	trans	-47.5	-41.7	173.8	-47.2	0	0	0	0	112.7	F172 K183 L184	F172-T180 HydrophobicContact CE2-CG2 4.37Å; F172-T180 HydrophobicContact CZ-CG2 3.72Å; T180-K183 PolarHBondContact O-N 3.43Å; T180-L184 HydrophobicContact CG2-CD1 4.48Å; T180-L184 VanDerWaalsContact O-CG 3.31Å; T180-L184 WeakPolarHBondContact O-CG 3.35Å; T180-L184 PolarHBondContact O-N 3.45Å
181	Q	94.6	Very high	94.2	Very high	129 Å²	129	80.3 Å²	80.3	60%	0.603	41%	0.412	S	S	*	.	H	α-helix	trans	-66.8	-36.2	179.1	-171.6	178.9	0.8	0	0	112.7	T179 K185	T179-Q181 HydrophobicContact CG2-CB 4.31Å; T179-Q181 PolarHBondContact O-N 2.94Å; T179-Q181 VanDerWaalsContact O-N 3.11Å; Q181-K185 WeakPolarHBondContact O-CG 3.38Å; Q181-K185 PolarHBondContact O-N 2.94Å
182	A	95.1	Very high	94.2	Very high	40 Å²	40	85.5 Å²	85.5	33%	0.331	43%	0.429	S	S	.	.	H	α-helix	trans	-69.1	-43.8	176.4	0	0	0	0	0	110.7	T179 L184 K185 S186	T179-A182 WeakPolarHBondContact O-CA 3.45Å; T179-A182 WeakPolarHBondContact O-CB 3.36Å; T179-A182 PolarHBondContact O-N 3.17Å; A182-L184 VanDerWaalsContact C-N 3.34Å; A182-L184 PolarHBondContact O-N 2.84Å; A182-K185 PolarHBondContact O-N 3.4Å; A182-K185 VanDerWaalsContact O-N 3.14Å; A182-S186 PolarHBondContact O-N 3.19Å
183	K	95.9	Very high	94.3	Very high	46 Å²	46	88.2 Å²	88.2	20%	0.2	45%	0.447	C	S	.	.	H	α-helix	trans	-55.2	-46.8	173.2	-68.5	-166.9	169.7	-153	0	112.5	F172 Q173 A175 R176 G177 T179 T180 K185 S186 L187	F172-K183 HydrophobicContact CE2-CB 4.29Å; F172-K183 HydrophobicContact CZ-CD 4.39Å; Q173-K183 PolarHBondContact O-NZ 3.05Å; Q173-K183 VanDerWaalsContact O-NZ 3.16Å; A175-K183 HydrophobicContact CB-CB 3.79Å; A175-K183 HydrophobicContact CB-CD 4.19Å; A175-K183 HydrophobicContact CB-CG 4.03Å; A175-K183 WeakPolarHBondContact O-CE 3.43Å; R176-K183 WeakPolarHBondContact O-CA 3.42Å; G177-K183 WeakPolarHBondContact O-CE 3.27Å; G177-K183 VanDerWaalsContact O-CG 3.26Å; G177-K183 WeakPolarHBondContact O-CG 3.5Å; T179-K183 PolarHBondContact O-N 2.94Å; T180-K183 PolarHBondContact O-N 3.43Å; K183-K185 VanDerWaalsContact C-N 3.31Å; K183-K185 PolarHBondContact O-N 2.7Å; K183-S186 PolarHBondContact O-N 2.84Å; K183-L187 WeakPolarHBondContact O-CG 3.42Å; K183-L187 PolarHBondContact O-N 3.43Å
184	L	95.1	Very high	94.4	Very high	68 Å²	68	81.5 Å²	81.5	36%	0.356	42%	0.417	S	S	.	.	H	α-helix	trans	-62.2	-36.6	178.2	-72.5	174.3	0	0	0	113	M168 F172 T180 A182 L188	M168-L184 HydrophobicContact CG-CD2 4.15Å; M168-L184 HydrophobicContact SD-CD2 3.4Å; M168-L184 WeakPolarHBondContact SD-CD2 3.34Å; F172-L184 HydrophobicContact CD2-CD2 4.47Å; F172-L184 HydrophobicContact CE2-CD2 3.98Å; F172-L184 HydrophobicContact CE2-CG 4.27Å; T180-L184 HydrophobicContact CG2-CD1 4.48Å; T180-L184 VanDerWaalsContact O-CG 3.31Å; T180-L184 WeakPolarHBondContact O-CG 3.35Å; T180-L184 PolarHBondContact O-N 3.45Å; A182-L184 VanDerWaalsContact C-N 3.34Å; A182-L184 PolarHBondContact O-N 2.84Å; L184-L188 WeakPolarHBondContact O-CB 3.36Å; L184-L188 PolarHBondContact O-N 3.23Å; L184-L188 VanDerWaalsContact O-N 3.17Å
185	K	95.8	Very high	94.7	Very high	130 Å²	130	80.4 Å²	80.4	57%	0.565	41%	0.41	S	S	*	.	H	α-helix	trans	-66.4	-49.2	175.6	-73.1	179.1	178.8	-174.9	0	111	Q181 A182 K183 L187 L188 D189	Q181-K185 WeakPolarHBondContact O-CG 3.38Å; Q181-K185 PolarHBondContact O-N 2.94Å; A182-K185 PolarHBondContact O-N 3.4Å; A182-K185 VanDerWaalsContact O-N 3.14Å; K183-K185 VanDerWaalsContact C-N 3.31Å; K183-K185 PolarHBondContact O-N 2.7Å; K185-L187 PolarHBondContact O-N 3.31Å; K185-L188 PolarHBondContact O-N 3.11Å; K185-L188 VanDerWaalsContact O-N 3.12Å; K185-D189 PolarHBondContact O-N 3.15Å; K185-D189 VanDerWaalsContact O-N 3.1Å
186	S	96	Very high	94.8	Very high	20 Å²	20	84.7 Å²	84.7	14%	0.14	44%	0.439	C	S	.	.	H	α-helix	trans	-53.3	-52.7	176.3	-173.6	0	0	0	0	111.3	A182 K183 L188 D189 D190	A182-S186 PolarHBondContact O-N 3.19Å; K183-S186 PolarHBondContact O-N 2.84Å; S186-L188 PolarHBondContact O-N 3.49Å; S186-D189 PolarHBondContact O-N 2.75Å; S186-D189 VanDerWaalsContact O-N 3.08Å; S186-D190 PolarHBondContact O-N 3.11Å; S186-D190 VanDerWaalsContact O-OD2 3.08Å; S186-D190 PolarHBondContact OG-OD2 2.99Å
187	L	96.4	Very high	95.2	Very high	1 Å²	1	81.2 Å²	81.2	1%	0.005	43%	0.431	C	S	.	.	H	α-helix	trans	-60.3	-33.1	-179.3	-72.9	170.6	0	0	0	113.5	Y167 M168 H171 F172 A175 K183 K185 W191	Y167-L187 HydrophobicContact CE1-CD2 4.07Å; M168-L187 HydrophobicContact CG-CD1 3.96Å; H171-L187 HydrophobicContact CB-CD2 3.52Å; F172-L187 HydrophobicContact CD2-CD1 3.91Å; A175-L187 HydrophobicContact CB-CD1 3.8Å; A175-L187 HydrophobicContact CB-CD2 3.88Å; A175-L187 HydrophobicContact CB-CG 3.62Å; K183-L187 WeakPolarHBondContact O-CG 3.42Å; K183-L187 PolarHBondContact O-N 3.43Å; K185-L187 PolarHBondContact O-N 3.31Å; L187-W191 WeakPolarHBondContact O-CB 3.15Å; L187-W191 PolarHBondContact O-N 3.42Å
188	L	95.6	Very high	95.4	Very high	65 Å²	65	83.2 Å²	83.2	34%	0.34	43%	0.43	S	S	.	.	H	α-helix	trans	-72.6	-35.2	179.8	-165.2	138.5	0	0	0	111.1	F164 L184 K185 S186 R192	F164-L188 HydrophobicContact CE1-CD1 4.3Å; F164-L188 HydrophobicContact CE2-CB 4.5Å; F164-L188 HydrophobicContact CZ-CB 4.13Å; F164-L188 HydrophobicContact CZ-CD1 4.13Å; F164-L188 HydrophobicContact CZ-CG 4.28Å; L184-L188 WeakPolarHBondContact O-CB 3.36Å; L184-L188 PolarHBondContact O-N 3.23Å; L184-L188 VanDerWaalsContact O-N 3.17Å; K185-L188 PolarHBondContact O-N 3.11Å; K185-L188 VanDerWaalsContact O-N 3.12Å; S186-L188 PolarHBondContact O-N 3.49Å; L188-R192 VanDerWaalsContact O-CG 3.26Å; L188-R192 WeakPolarHBondContact O-CG 3.19Å; L188-R192 PolarHBondContact O-N 2.99Å; L188-R192 VanDerWaalsContact O-N 3.11Å
189	D	95.9	Very high	95.7	Very high	74 Å²	74	78.6 Å²	78.6	40%	0.396	40%	0.398	S	S	.	.	H	α-helix	trans	-71.5	-43.5	173	-64.7	-29.2	0	0	0	111.2	K185 S186 W191 R192 N193	K185-D189 PolarHBondContact O-N 3.15Å; K185-D189 VanDerWaalsContact O-N 3.1Å; S186-D189 PolarHBondContact O-N 2.75Å; S186-D189 VanDerWaalsContact O-N 3.08Å; D189-W191 VanDerWaalsContact C-N 3.33Å; D189-W191 PolarHBondContact O-N 3.47Å; D189-R192 WeakPolarHBondContact O-CB 3.21Å; D189-R192 PolarHBondContact O-N 2.87Å; D189-R192 VanDerWaalsContact O-N 3.14Å; D189-R192 IonicContact OD1-NH1 3.48Å; D189-R192 PolarHBondContact OD1-NH1 3.34Å; D189-N193 PolarHBondContact O-N 2.88Å; D189-N193 PolarHBondContact O-ND2 3.21Å
190	D	95.9	Very high	95.8	Very high	57 Å²	57	79 Å²	79	31%	0.305	39%	0.393	S	S	.	.	H	α-helix	trans	-59.1	-44.3	174.8	-62	-34.4	0	0	0	111.1	Y167 S186 R192 N193 L194	Y167-D190 WeakPolarHBondContact OH-CB 3.33Å; S186-D190 PolarHBondContact O-N 3.11Å; S186-D190 VanDerWaalsContact O-OD2 3.08Å; S186-D190 PolarHBondContact OG-OD2 2.99Å; D190-R192 PolarHBondContact O-N 2.94Å; D190-N193 PolarHBondContact O-N 3.41Å; D190-L194 PolarHBondContact O-N 3.35Å
191	W	96.6	Very high	96	Very high	43 Å²	43	78.5 Å²	78.5	16%	0.163	39%	0.391	C	S	.	.	H	α-helix	trans	-62.2	-40.1	175	175.5	-103.9	0	0	0	113	P163 F164 Y167 L187 D189 N193 L194 K199 Y202	P163-W191 HydrophobicContact CB-CH2 3.74Å; P163-W191 HydrophobicContact CB-CZ2 3.91Å; F164-W191 HydrophobicContact CB-CD2 4.34Å; F164-W191 HydrophobicContact CB-CZ2 4.36Å; F164-W191 HydrophobicContact CD2-CB 3.67Å; F164-W191 AromaticContact CD2-CD1 3.66Å; F164-W191 AromaticContact CD2-CD2 3.77Å; F164-W191 HydrophobicContact CD2-CD2 3.77Å; F164-W191 HydrophobicContact CD2-CE3 4.41Å; F164-W191 AromaticContact CD2-CG 3.39Å; F164-W191 HydrophobicContact CD2-CG 3.39Å; F164-W191 HydrophobicContact CE2-CB 3.73Å; F164-W191 AromaticContact CE2-CG 3.98Å; F164-W191 HydrophobicContact CE2-CG 3.98Å; F164-W191 HydrophobicContact CG-CG 4.35Å; Y167-W191 HydrophobicContact CD1-CB 4.06Å; Y167-W191 HydrophobicContact CD1-CD2 4.33Å; Y167-W191 AromaticContact CD1-CE3 3.66Å; Y167-W191 HydrophobicContact CD1-CE3 3.66Å; Y167-W191 HydrophobicContact CD1-CZ3 4.49Å; Y167-W191 AromaticContact CD2-CE3 3.91Å; Y167-W191 HydrophobicContact CD2-CE3 3.91Å; Y167-W191 HydrophobicContact CD2-CZ3 4.18Å; Y167-W191 HydrophobicContact CE1-CB 3.94Å; Y167-W191 HydrophobicContact CE1-CE3 4.31Å; Y167-W191 HydrophobicContact CG-CD2 4.47Å; Y167-W191 AromaticContact CG-CE3 3.44Å; Y167-W191 HydrophobicContact CG-CE3 3.44Å; Y167-W191 VanDerWaalsContact CG-CE3 3.44Å; Y167-W191 AromaticContact CG-CZ3 3.84Å; Y167-W191 HydrophobicContact CG-CZ3 3.84Å; L187-W191 WeakPolarHBondContact O-CB 3.15Å; L187-W191 PolarHBondContact O-N 3.42Å; D189-W191 VanDerWaalsContact C-N 3.33Å; D189-W191 PolarHBondContact O-N 3.47Å; W191-N193 VanDerWaalsContact C-N 3.3Å; W191-N193 PolarHBondContact O-N 2.92Å; W191-L194 HydrophobicContact CE3-CD2 4.28Å; W191-L194 HydrophobicContact CZ3-CD2 4.16Å; W191-L194 WeakPolarHBondContact O-CB 3.35Å; W191-L194 PolarHBondContact O-N 2.97Å; W191-K199 HydrophobicContact CH2-CB 4.39Å; W191-K199 HydrophobicContact CH2-CG 4.09Å; W191-K199 HydrophobicContact CZ2-CG 4.3Å; W191-K199 HydrophobicContact CZ3-CG 4.32Å; W191-K199 WeakPolarHBondContact O-CE 3.34Å; W191-K199 PolarHBondContact O-NZ 2.99Å; W191-Y202 HydrophobicContact CH2-CD2 4.17Å; W191-Y202 HydrophobicContact CH2-CG 4.25Å; W191-Y202 AromaticContact CZ3-CD2 3.62Å; W191-Y202 HydrophobicContact CZ3-CD2 3.62Å; W191-Y202 HydrophobicContact CZ3-CE2 4.28Å; W191-Y202 AromaticContact CZ3-CG 3.92Å; W191-Y202 HydrophobicContact CZ3-CG 3.92Å
192	R	95.8	Very high	96.1	Very high	161 Å²	161	73.7 Å²	73.7	61%	0.608	37%	0.367	S	S	*	.	H	α-helix	trans	-62	-43	177	-78.4	167.1	172.9	173.9	-5	110.7	L188 D189 D190 L194 K199	L188-R192 VanDerWaalsContact O-CG 3.26Å; L188-R192 WeakPolarHBondContact O-CG 3.19Å; L188-R192 PolarHBondContact O-N 2.99Å; L188-R192 VanDerWaalsContact O-N 3.11Å; D189-R192 WeakPolarHBondContact O-CB 3.21Å; D189-R192 PolarHBondContact O-N 2.87Å; D189-R192 VanDerWaalsContact O-N 3.14Å; D189-R192 IonicContact OD1-NH1 3.48Å; D189-R192 PolarHBondContact OD1-NH1 3.34Å; D190-R192 PolarHBondContact O-N 2.94Å; R192-L194 VanDerWaalsContact C-N 3.32Å; R192-L194 PolarHBondContact O-N 2.98Å; R192-K199 PolarHBondContact O-NZ 3.4Å
193	N	95.8	Very high	96.2	Very high	129 Å²	129	74.6 Å²	74.6	69%	0.69	37%	0.365	S	S	*	.	H	α-helix	trans	-79.4	-11.1	-177.9	-63.6	-27.4	0	0	0	114.1	D189 D190 W191	D189-N193 PolarHBondContact O-N 2.88Å; D189-N193 PolarHBondContact O-ND2 3.21Å; D190-N193 PolarHBondContact O-N 3.41Å; W191-N193 VanDerWaalsContact C-N 3.3Å; W191-N193 PolarHBondContact O-N 2.92Å
194	L	95.6	Very high	96.3	Very high	29 Å²	29	77.3 Å²	77.3	15%	0.152	38%	0.379	C	S	.	.	S	Bend	trans	-60.8	137.9	177.6	-150.8	96.7	0	0	0	111.9	Y167 D190 W191 R192 Q198 K199 Y202	Y167-L194 HydrophobicContact CE2-CD1 3.97Å; D190-L194 PolarHBondContact O-N 3.35Å; W191-L194 HydrophobicContact CE3-CD2 4.28Å; W191-L194 HydrophobicContact CZ3-CD2 4.16Å; W191-L194 WeakPolarHBondContact O-CB 3.35Å; W191-L194 PolarHBondContact O-N 2.97Å; R192-L194 VanDerWaalsContact C-N 3.32Å; R192-L194 PolarHBondContact O-N 2.98Å; L194-Q198 HydrophobicContact CD1-CB 4.45Å; L194-Q198 HydrophobicContact CD2-CB 3.45Å; L194-Q198 VanDerWaalsContact CD2-CB 3.45Å; L194-Q198 HydrophobicContact CG-CB 3.71Å; L194-K199 HydrophobicContact CB-CG 4.07Å; L194-K199 HydrophobicContact CD2-CB 4.36Å; L194-K199 HydrophobicContact CD2-CG 3.62Å; L194-K199 HydrophobicContact CG-CG 4.39Å; L194-K199 WeakPolarHBondContact O-CE 3.43Å; L194-K199 PolarHBondContact O-NZ 3.32Å; L194-Y202 HydrophobicContact CD2-CD2 4.24Å; L194-Y202 HydrophobicContact CD2-CE2 3.98Å
195	F	97.1	Very high	96.4	Very high	137 Å²	137	77.4 Å²	77.4	60%	0.601	38%	0.379	S	S	*	.			trans	-67.9	156.8	178.9	-64.1	-71.3	0	0	0	112.5	H197 Q198 K199	F195-H197 VanDerWaalsContact C-N 3.35Å; F195-H197 VanDerWaalsContact CB-CE1 3.48Å; F195-H197 WeakPolarHBondContact CB-CE1 3.46Å; F195-H197 WeakPolarHBondContact CB-ND1 3.26Å; F195-H197 AromaticContact CG-CE1 3.98Å; F195-H197 PolarHBondContact O-N 3.13Å; F195-Q198 HydrophobicContact CB-CG 4.41Å; F195-Q198 PolarHBondContact O-N 3.12Å; F195-K199 WeakPolarHBondContact O-CG 3.44Å; F195-K199 PolarHBondContact O-N 2.73Å
196	S	96.1	Very high	96.6	Very high	99 Å²	99	71.3 Å²	71.3	69%	0.692	35%	0.353	S	S	*	.	H	α-helix	trans	-56.5	-44.6	-179.2	55.6	0	0	0	0	113	Q198 K199 Q200	S196-Q198 VanDerWaalsContact C-N 3.34Å; S196-Q198 PolarHBondContact O-N 3.15Å; S196-K199 WeakPolarHBondContact O-CB 3.47Å; S196-K199 PolarHBondContact O-N 2.66Å; S196-Q200 PolarHBondContact O-N 3.4Å
197	H	95.9	Very high	96.6	Very high	124 Å²	124	74.9 Å²	74.9	57%	0.574	37%	0.368	S	S	*	.	H	α-helix	trans	-64.4	-37.3	179.4	71.1	-84.4	0	0	0	112.4	F195 Q200	F195-H197 VanDerWaalsContact C-N 3.35Å; F195-H197 VanDerWaalsContact CB-CE1 3.48Å; F195-H197 WeakPolarHBondContact CB-CE1 3.46Å; F195-H197 WeakPolarHBondContact CB-ND1 3.26Å; F195-H197 AromaticContact CG-CE1 3.98Å; F195-H197 PolarHBondContact O-N 3.13Å; H197-Q200 WeakPolarHBondContact O-CB 3.4Å; H197-Q200 PolarHBondContact O-N 3.07Å
198	Q	94.8	Very high	96.7	Very high	78 Å²	78	79.6 Å²	79.6	36%	0.364	39%	0.393	S	S	.	.	H	α-helix	trans	-69.5	-38.7	174.8	-62.5	176.3	-33.4	0	0	110.7	L194 F195 S196 Q200 V201 Y202	L194-Q198 HydrophobicContact CD1-CB 4.45Å; L194-Q198 HydrophobicContact CD2-CB 3.45Å; L194-Q198 VanDerWaalsContact CD2-CB 3.45Å; L194-Q198 HydrophobicContact CG-CB 3.71Å; F195-Q198 HydrophobicContact CB-CG 4.41Å; F195-Q198 PolarHBondContact O-N 3.12Å; S196-Q198 VanDerWaalsContact C-N 3.34Å; S196-Q198 PolarHBondContact O-N 3.15Å; Q198-Q200 PolarHBondContact O-N 3.12Å; Q198-V201 PolarHBondContact O-N 3.26Å; Q198-Y202 WeakPolarHBondContact O-CD2 3.35Å; Q198-Y202 WeakPolarHBondContact O-CE2 3.46Å
199	K	96.7	Very high	96.8	Very high	49 Å²	49	77.5 Å²	77.5	21%	0.213	38%	0.382	C	S	.	.	H	α-helix	trans	-63.6	-32.7	175	-74.1	180	168.9	130.9	0	111.4	W191 R192 L194 F195 S196 V201 Y202 I203	W191-K199 HydrophobicContact CH2-CB 4.39Å; W191-K199 HydrophobicContact CH2-CG 4.09Å; W191-K199 HydrophobicContact CZ2-CG 4.3Å; W191-K199 HydrophobicContact CZ3-CG 4.32Å; W191-K199 WeakPolarHBondContact O-CE 3.34Å; W191-K199 PolarHBondContact O-NZ 2.99Å; R192-K199 PolarHBondContact O-NZ 3.4Å; L194-K199 HydrophobicContact CB-CG 4.07Å; L194-K199 HydrophobicContact CD2-CB 4.36Å; L194-K199 HydrophobicContact CD2-CG 3.62Å; L194-K199 HydrophobicContact CG-CG 4.39Å; L194-K199 WeakPolarHBondContact O-CE 3.43Å; L194-K199 PolarHBondContact O-NZ 3.32Å; F195-K199 WeakPolarHBondContact O-CG 3.44Å; F195-K199 PolarHBondContact O-N 2.73Å; S196-K199 WeakPolarHBondContact O-CB 3.47Å; S196-K199 PolarHBondContact O-N 2.66Å; K199-V201 VanDerWaalsContact C-N 3.3Å; K199-V201 PolarHBondContact O-N 3.19Å; K199-Y202 PolarHBondContact O-N 3.24Å; K199-Y202 VanDerWaalsContact O-N 3.16Å; K199-I203 WeakPolarHBondContact O-CG1 3.38Å; K199-I203 PolarHBondContact O-N 3.25Å
200	Q	97.3	Very high	96.9	Very high	91 Å²	91	78.6 Å²	78.6	43%	0.425	38%	0.383	S	S	.	.	H	α-helix	trans	-59	-38.9	-177.5	-168.9	63	13.3	0	0	112.8	S196 H197 Q198 Y202 I203 Q204	S196-Q200 PolarHBondContact O-N 3.4Å; H197-Q200 WeakPolarHBondContact O-CB 3.4Å; H197-Q200 PolarHBondContact O-N 3.07Å; Q198-Q200 PolarHBondContact O-N 3.12Å; Q200-Y202 VanDerWaalsContact C-N 3.34Å; Q200-Y202 PolarHBondContact O-N 3.33Å; Q200-I203 WeakPolarHBondContact O-CB 3.37Å; Q200-I203 PolarHBondContact O-N 3.02Å; Q200-I203 VanDerWaalsContact O-N 3.16Å; Q200-Q204 WeakPolarHBondContact O-CG 3.18Å; Q200-Q204 PolarHBondContact O-N 3.14Å
201	V	97.2	Very high	96.9	Very high	79 Å²	79	80.2 Å²	80.2	48%	0.479	39%	0.391	S	S	.	.	H	α-helix	trans	-58.1	-48.1	176.5	-179.5	0	0	0	0	110.5	Q198 K199 I203 Q204 L205	Q198-V201 PolarHBondContact O-N 3.26Å; K199-V201 VanDerWaalsContact C-N 3.3Å; K199-V201 PolarHBondContact O-N 3.19Å; V201-I203 VanDerWaalsContact C-N 3.31Å; V201-I203 PolarHBondContact O-N 3.17Å; V201-Q204 PolarHBondContact O-N 3.39Å; V201-L205 HydrophobicContact CG1-CD1 4.36Å; V201-L205 WeakPolarHBondContact O-CG 3.24Å; V201-L205 PolarHBondContact O-N 3.1Å
202	Y	97.8	Very high	97	Very high	28 Å²	28	81.7 Å²	81.7	11%	0.11	40%	0.397	C	S	.	.	H	α-helix	trans	-69.3	-29.2	178.4	-56.9	-74.8	0	0	0	113.2	I166 Y167 E170 H171 W191 L194 Q198 K199 Q200 A206	I166-Y202 HydrophobicContact CB-CD1 4.44Å; I166-Y202 HydrophobicContact CG2-CD1 4.08Å; Y167-Y202 HydrophobicContact CD2-CD2 4.5Å; Y167-Y202 HydrophobicContact CD2-CE1 4.06Å; Y167-Y202 AromaticContact CD2-CE2 3.82Å; Y167-Y202 HydrophobicContact CD2-CE2 3.82Å; Y167-Y202 AromaticContact CD2-CZ 3.57Å; E170-Y202 WeakPolarHBondContact OE2-CE1 3.49Å; H171-Y202 PolarHBondContact NE2-OH 2.78Å; H171-Y202 VanDerWaalsContact NE2-OH 3.1Å; W191-Y202 HydrophobicContact CH2-CD2 4.17Å; W191-Y202 HydrophobicContact CH2-CG 4.25Å; W191-Y202 AromaticContact CZ3-CD2 3.62Å; W191-Y202 HydrophobicContact CZ3-CD2 3.62Å; W191-Y202 HydrophobicContact CZ3-CE2 4.28Å; W191-Y202 AromaticContact CZ3-CG 3.92Å; W191-Y202 HydrophobicContact CZ3-CG 3.92Å; L194-Y202 HydrophobicContact CD2-CD2 4.24Å; L194-Y202 HydrophobicContact CD2-CE2 3.98Å; Q198-Y202 WeakPolarHBondContact O-CD2 3.35Å; Q198-Y202 WeakPolarHBondContact O-CE2 3.46Å; K199-Y202 PolarHBondContact O-N 3.24Å; K199-Y202 VanDerWaalsContact O-N 3.16Å; Q200-Y202 VanDerWaalsContact C-N 3.34Å; Q200-Y202 PolarHBondContact O-N 3.33Å; Y202-A206 WeakPolarHBondContact O-CB 3.08Å; Y202-A206 PolarHBondContact O-N 3.21Å
203	I	97.7	Very high	97.1	Very high	58 Å²	58	76.1 Å²	76.1	30%	0.297	38%	0.376	S	S	.	.	H	α-helix	trans	-64.6	-47.3	173.7	-69.5	166.6	0	0	0	109.9	P163 K199 Q200 V201 A206 E207	P163-I203 HydrophobicContact CB-CG1 4.29Å; P163-I203 HydrophobicContact CG-CG1 4.06Å; K199-I203 WeakPolarHBondContact O-CG1 3.38Å; K199-I203 PolarHBondContact O-N 3.25Å; Q200-I203 WeakPolarHBondContact O-CB 3.37Å; Q200-I203 PolarHBondContact O-N 3.02Å; Q200-I203 VanDerWaalsContact O-N 3.16Å; V201-I203 VanDerWaalsContact C-N 3.31Å; V201-I203 PolarHBondContact O-N 3.17Å; I203-A206 PolarHBondContact O-N 3.46Å; I203-E207 WeakPolarHBondContact O-CG 3.5Å; I203-E207 PolarHBondContact O-N 3.2Å
204	Q	97.8	Very high	97.1	Very high	104 Å²	104	75.8 Å²	75.8	49%	0.486	37%	0.368	S	S	.	.	H	α-helix	trans	-61	-47.2	176.4	-70.6	175.1	-15.1	0	0	111.4	Q200 V201 A206 E207 D208	Q200-Q204 WeakPolarHBondContact O-CG 3.18Å; Q200-Q204 PolarHBondContact O-N 3.14Å; V201-Q204 PolarHBondContact O-N 3.39Å; Q204-A206 VanDerWaalsContact C-N 3.26Å; Q204-A206 PolarHBondContact O-N 2.91Å; Q204-E207 WeakPolarHBondContact O-CA 3.44Å; Q204-E207 WeakPolarHBondContact O-CB 3.44Å; Q204-E207 PolarHBondContact O-N 3.04Å; Q204-D208 PolarHBondContact O-N 3.23Å
205	L	97.7	Very high	97.1	Very high	69 Å²	69	78.9 Å²	78.9	36%	0.361	39%	0.385	S	S	.	.	H	α-helix	trans	-58.9	-37.2	176.1	-68	173	0	0	0	112.6	I166 V201 E207 D208 D209	I166-L205 HydrophobicContact CD1-CB 3.75Å; I166-L205 HydrophobicContact CG2-CB 4.4Å; I166-L205 HydrophobicContact CG2-CD1 3.98Å; V201-L205 HydrophobicContact CG1-CD1 4.36Å; V201-L205 WeakPolarHBondContact O-CG 3.24Å; V201-L205 PolarHBondContact O-N 3.1Å; L205-E207 VanDerWaalsContact C-N 3.33Å; L205-D208 PolarHBondContact O-N 3.15Å; L205-D209 PolarHBondContact O-N 3.39Å
206	A	98.1	Very high	97.2	Very high	2 Å²	2	75.6 Å²	75.6	2%	0.017	37%	0.372	C	S	.	.	H	α-helix	trans	-70.6	-29.6	175.3	0	0	0	0	0	112.5	P163 I166 Y202 I203 Q204 K210	P163-A206 HydrophobicContact CB-CB 4.43Å; P163-A206 HydrophobicContact CG-CB 3.7Å; I166-A206 HydrophobicContact CD1-CB 4Å; Y202-A206 WeakPolarHBondContact O-CB 3.08Å; Y202-A206 PolarHBondContact O-N 3.21Å; I203-A206 PolarHBondContact O-N 3.46Å; Q204-A206 VanDerWaalsContact C-N 3.26Å; Q204-A206 PolarHBondContact O-N 2.91Å; A206-K210 WeakPolarHBondContact O-CG 3.42Å; A206-K210 PolarHBondContact O-N 3.33Å; A206-K210 VanDerWaalsContact O-N 3.12Å
207	E	97.8	Very high	97.2	Very high	96 Å²	96	71 Å²	71	45%	0.449	34%	0.34	S	S	.	.	H	α-helix	trans	-68.3	-43.2	172.7	-72.1	177.3	169	0	0	111.8	I203 Q204 L205 D209 K210 I211	I203-E207 WeakPolarHBondContact O-CG 3.5Å; I203-E207 PolarHBondContact O-N 3.2Å; Q204-E207 WeakPolarHBondContact O-CA 3.44Å; Q204-E207 WeakPolarHBondContact O-CB 3.44Å; Q204-E207 PolarHBondContact O-N 3.04Å; L205-E207 VanDerWaalsContact C-N 3.33Å; E207-D209 VanDerWaalsContact C-N 3.32Å; E207-D209 PolarHBondContact O-N 3.45Å; E207-K210 VanDerWaalsContact O-CB 3.31Å; E207-K210 WeakPolarHBondContact O-CB 3.42Å; E207-K210 PolarHBondContact O-N 3.12Å; E207-K210 VanDerWaalsContact O-N 3.14Å; E207-I211 PolarHBondContact O-N 3.48Å
208	D	97.6	Very high	97.1	Very high	99 Å²	99	70.8 Å²	70.8	53%	0.529	34%	0.337	S	S	.	.	H	α-helix	trans	-61.9	-40.9	173.6	-67.1	-23.3	0	0	0	111.5	Q204 L205 K210 I211 R212	Q204-D208 PolarHBondContact O-N 3.23Å; L205-D208 PolarHBondContact O-N 3.15Å; D208-K210 VanDerWaalsContact C-N 3.27Å; D208-K210 PolarHBondContact O-N 3.01Å; D208-I211 WeakPolarHBondContact O-CA 3.34Å; D208-I211 WeakPolarHBondContact O-CB 3.44Å; D208-I211 PolarHBondContact O-N 3.36Å; D208-R212 PolarHBondContact O-N 2.62Å
209	D	97.8	Very high	97.2	Very high	22 Å²	22	70.2 Å²	70.2	12%	0.118	34%	0.341	C	S	.	.	H	α-helix	trans	-66.2	-28.7	176.8	-163.6	73.9	0	0	0	112.7	C160 R161 L205 E207 I211 R212 Y213	C160-D209 WeakPolarHBondContact CA-OD2 3.45Å; R161-D209 PolarHBondContact N-OD2 2.96Å; L205-D209 PolarHBondContact O-N 3.39Å; E207-D209 VanDerWaalsContact C-N 3.32Å; E207-D209 PolarHBondContact O-N 3.45Å; D209-I211 VanDerWaalsContact C-N 3.31Å; D209-R212 IonicContact OD1-CZ 3.73Å; D209-R212 IonicContact OD1-NE 3.8Å; D209-R212 PolarHBondContact OD1-NE 3.01Å; D209-R212 IonicContact OD1-NH2 3.34Å; D209-R212 PolarHBondContact OD1-NH2 2.83Å; D209-R212 IonicContact OD2-CZ 3.59Å; D209-R212 IonicContact OD2-NE 3.17Å; D209-R212 IonicContact OD2-NH2 3.84Å; D209-R212 PolarHBondContact OD2-NH2 3.48Å; D209-Y213 WeakPolarHBondContact O-CB 3.08Å; D209-Y213 PolarHBondContact O-N 2.97Å
210	K	97.6	Very high	97.2	Very high	96 Å²	96	68.7 Å²	68.7	42%	0.417	33%	0.334	S	S	.	.	H	α-helix	trans	-64	-38.2	169.2	-68.1	165.5	-164.7	164.7	0	110.9	C160 A206 E207 D208 K214	C160-K210 HydrophobicContact CB-CG 4.18Å; A206-K210 WeakPolarHBondContact O-CG 3.42Å; A206-K210 PolarHBondContact O-N 3.33Å; A206-K210 VanDerWaalsContact O-N 3.12Å; E207-K210 VanDerWaalsContact O-CB 3.31Å; E207-K210 WeakPolarHBondContact O-CB 3.42Å; E207-K210 PolarHBondContact O-N 3.12Å; E207-K210 VanDerWaalsContact O-N 3.14Å; D208-K210 VanDerWaalsContact C-N 3.27Å; D208-K210 PolarHBondContact O-N 3.01Å; K210-K214 WeakPolarHBondContact O-CB 3.48Å; K210-K214 WeakPolarHBondContact O-CG 3.2Å; K210-K214 PolarHBondContact O-N 2.74Å
211	I	97.4	Very high	97.1	Very high	92 Å²	92	64.5 Å²	64.5	47%	0.472	32%	0.315	S	S	.	.	H	α-helix	trans	-66.9	-48.9	177.8	-60.6	170.4	0	0	0	109.6	E207 D208 D209 Y213 K214 N215	E207-I211 PolarHBondContact O-N 3.48Å; D208-I211 WeakPolarHBondContact O-CA 3.34Å; D208-I211 WeakPolarHBondContact O-CB 3.44Å; D208-I211 PolarHBondContact O-N 3.36Å; D209-I211 VanDerWaalsContact C-N 3.31Å; I211-Y213 PolarHBondContact O-N 3.14Å; I211-K214 WeakPolarHBondContact O-CB 3.49Å; I211-K214 PolarHBondContact O-N 2.73Å; I211-K214 VanDerWaalsContact O-N 3.16Å; I211-N215 PolarHBondContact O-N 2.95Å
212	R	97.7	Very high	96.9	Very high	73 Å²	73	66.6 Å²	66.6	28%	0.275	32%	0.319	S	S	.	.	H	α-helix	trans	-50.3	-55.6	173.1	179.4	-157.9	59.2	76.9	5.2	111.3	K158 D208 D209 K214 N215 E216	K158-R212 PolarHBondContact O-NH2 3.41Å; D208-R212 PolarHBondContact O-N 2.62Å; D209-R212 IonicContact OD1-CZ 3.73Å; D209-R212 IonicContact OD1-NE 3.8Å; D209-R212 PolarHBondContact OD1-NE 3.01Å; D209-R212 IonicContact OD1-NH2 3.34Å; D209-R212 PolarHBondContact OD1-NH2 2.83Å; D209-R212 IonicContact OD2-CZ 3.59Å; D209-R212 IonicContact OD2-NE 3.17Å; D209-R212 IonicContact OD2-NH2 3.84Å; D209-R212 PolarHBondContact OD2-NH2 3.48Å; R212-K214 VanDerWaalsContact C-N 3.32Å; R212-K214 PolarHBondContact O-N 3.06Å; R212-N215 PolarHBondContact O-N 3.16Å; R212-N215 VanDerWaalsContact O-N 3.11Å; R212-E216 VanDerWaalsContact CD-OE1 3.27Å; R212-E216 WeakPolarHBondContact CD-OE1 3.39Å; R212-E216 HydrophobicContact CG-CG 4.38Å; R212-E216 WeakPolarHBondContact CG-OE1 3.17Å; R212-E216 IonicContact CZ-OE1 2.88Å; R212-E216 IonicContact NE-OE1 2.94Å; R212-E216 IonicContact NH1-OE1 2.74Å; R212-E216 PolarHBondContact NH1-OE1 3.02Å; R212-E216 IonicContact NH1-OE2 3.55Å; R212-E216 PolarHBondContact NH1-OE2 2.97Å; R212-E216 PolarHBondContact O-N 3.4Å
213	Y	97.3	Very high	96.8	Very high	44 Å²	44	70 Å²	70	17%	0.173	34%	0.336	C	S	.	.	H	α-helix	trans	-59.7	-40.6	-179.3	174.4	-110.5	0	0	0	112.4	P157 K158 D209 I211 N215 I217	P157-Y213 HydrophobicContact CB-CD2 4.28Å; P157-Y213 HydrophobicContact CB-CE2 4.33Å; K158-Y213 WeakPolarHBondContact O-CD2 3.19Å; D209-Y213 WeakPolarHBondContact O-CB 3.08Å; D209-Y213 PolarHBondContact O-N 2.97Å; I211-Y213 PolarHBondContact O-N 3.14Å; Y213-N215 VanDerWaalsContact C-N 3.29Å; Y213-N215 PolarHBondContact O-N 2.76Å; Y213-I217 HydrophobicContact CD2-CB 4.49Å; Y213-I217 HydrophobicContact CE2-CB 4.13Å; Y213-I217 HydrophobicContact CE2-CD1 4.19Å; Y213-I217 HydrophobicContact CE2-CG1 4.29Å; Y213-I217 VanDerWaalsContact O-CB 3.26Å; Y213-I217 WeakPolarHBondContact O-CB 3.41Å; Y213-I217 WeakPolarHBondContact O-CG2 3.29Å; Y213-I217 PolarHBondContact O-N 3.34Å
214	K	96.1	Very high	96.7	Very high	122 Å²	122	67.3 Å²	67.3	53%	0.53	32%	0.322	S	S	.	.	H	α-helix	trans	-60.9	-37.8	176.8	-78.1	169.7	-176.1	175.4	0	112.2	K210 I211 R212 I217 K218	K210-K214 WeakPolarHBondContact O-CB 3.48Å; K210-K214 WeakPolarHBondContact O-CG 3.2Å; K210-K214 PolarHBondContact O-N 2.74Å; I211-K214 WeakPolarHBondContact O-CB 3.49Å; I211-K214 PolarHBondContact O-N 2.73Å; I211-K214 VanDerWaalsContact O-N 3.16Å; R212-K214 VanDerWaalsContact C-N 3.32Å; R212-K214 PolarHBondContact O-N 3.06Å; K214-I217 WeakPolarHBondContact O-CG2 3.48Å; K214-K218 WeakPolarHBondContact O-CD 3.49Å; K214-K218 WeakPolarHBondContact O-CG 3.26Å; K214-K218 PolarHBondContact O-N 2.94Å
215	N	96.7	Very high	96.5	Very high	94 Å²	94	64 Å²	64	50%	0.503	31%	0.308	S	S	.	.	H	α-helix	trans	-76.2	-46.6	-179.9	-65.8	-15.2	0	0	0	111.4	I211 R212 Y213 I217 K218 S219	I211-N215 PolarHBondContact O-N 2.95Å; R212-N215 PolarHBondContact O-N 3.16Å; R212-N215 VanDerWaalsContact O-N 3.11Å; Y213-N215 VanDerWaalsContact C-N 3.29Å; Y213-N215 PolarHBondContact O-N 2.76Å; N215-I217 PolarHBondContact O-N 3Å; N215-K218 PolarHBondContact O-N 3.1Å; N215-S219 PolarHBondContact O-N 2.99Å; N215-S219 PolarHBondContact O-OG 3.46Å; N215-S219 VanDerWaalsContact O-OG 3.09Å
216	E	97.4	Very high	96.3	Very high	69 Å²	69	67 Å²	67	32%	0.322	32%	0.324	S	S	.	.	H	α-helix	trans	-61.8	-42.9	176.9	-72.3	180	-159.7	0	0	112.2	P157 R212 K218 S219 W220	P157-E216 HydrophobicContact CB-CB 3.83Å; P157-E216 WeakPolarHBondContact CB-OE2 3.32Å; P157-E216 HydrophobicContact CG-CB 3.7Å; R212-E216 VanDerWaalsContact CD-OE1 3.27Å; R212-E216 WeakPolarHBondContact CD-OE1 3.39Å; R212-E216 HydrophobicContact CG-CG 4.38Å; R212-E216 WeakPolarHBondContact CG-OE1 3.17Å; R212-E216 IonicContact CZ-OE1 2.88Å; R212-E216 IonicContact NE-OE1 2.94Å; R212-E216 IonicContact NH1-OE1 2.74Å; R212-E216 PolarHBondContact NH1-OE1 3.02Å; R212-E216 IonicContact NH1-OE2 3.55Å; R212-E216 PolarHBondContact NH1-OE2 2.97Å; R212-E216 PolarHBondContact O-N 3.4Å; E216-K218 VanDerWaalsContact C-N 3.3Å; E216-K218 PolarHBondContact O-N 2.89Å; E216-S219 PolarHBondContact O-OG 3.38Å; E216-W220 VanDerWaalsContact O-CB 3.23Å; E216-W220 WeakPolarHBondContact O-CB 3.48Å; E216-W220 PolarHBondContact O-N 3.14Å
217	I	96.1	Very high	96.1	Very high	3 Å²	3	71.6 Å²	71.6	2%	0.015	35%	0.347	C	S	.	.	H	α-helix	trans	-69.7	-30.2	-177.9	-160.3	63.3	0	0	0	112.1	P157 Y213 K214 N215 W220 E221 R234	P157-I217 HydrophobicContact CB-CD1 4.44Å; P157-I217 HydrophobicContact CG-CD1 4.33Å; Y213-I217 HydrophobicContact CD2-CB 4.49Å; Y213-I217 HydrophobicContact CE2-CB 4.13Å; Y213-I217 HydrophobicContact CE2-CD1 4.19Å; Y213-I217 HydrophobicContact CE2-CG1 4.29Å; Y213-I217 VanDerWaalsContact O-CB 3.26Å; Y213-I217 WeakPolarHBondContact O-CB 3.41Å; Y213-I217 WeakPolarHBondContact O-CG2 3.29Å; Y213-I217 PolarHBondContact O-N 3.34Å; K214-I217 WeakPolarHBondContact O-CG2 3.48Å; N215-I217 PolarHBondContact O-N 3Å; I217-W220 HydrophobicContact CD1-CE3 3.99Å; I217-E221 WeakPolarHBondContact O-CB 3.39Å; I217-E221 WeakPolarHBondContact O-CG 3.32Å; I217-E221 PolarHBondContact O-N 3.43Å; I217-R234 VanDerWaalsContact CG2-NH2 3.33Å
218	K	94.8	Very high	95.9	Very high	119 Å²	119	69.6 Å²	69.6	52%	0.517	35%	0.353	S	S	.	.	H	α-helix	trans	-67.1	-54.5	176	-78.3	171.9	-177.5	179.1	0	110.7	K214 N215 E216 W220 E221 E222	K214-K218 WeakPolarHBondContact O-CD 3.49Å; K214-K218 WeakPolarHBondContact O-CG 3.26Å; K214-K218 PolarHBondContact O-N 2.94Å; N215-K218 PolarHBondContact O-N 3.1Å; E216-K218 VanDerWaalsContact C-N 3.3Å; E216-K218 PolarHBondContact O-N 2.89Å; K218-W220 VanDerWaalsContact C-N 3.28Å; K218-W220 PolarHBondContact O-N 2.88Å; K218-E221 PolarHBondContact O-N 2.93Å; K218-E221 VanDerWaalsContact O-N 3.13Å; K218-E222 WeakPolarHBondContact O-CG 3.32Å; K218-E222 PolarHBondContact O-N 3.35Å
219	S	96.1	Very high	95.7	Very high	65 Å²	65	68.5 Å²	68.5	46%	0.455	34%	0.341	S	S	.	.	H	α-helix	trans	-59.5	-39.5	177.8	49.8	0	0	0	0	111.9	N215 E216 E222 H223	N215-S219 PolarHBondContact O-N 2.99Å; N215-S219 PolarHBondContact O-OG 3.46Å; N215-S219 VanDerWaalsContact O-OG 3.09Å; E216-S219 PolarHBondContact O-OG 3.38Å; S219-E222 PolarHBondContact O-N 2.94Å; S219-H223 WeakPolarHBondContact O-CB 3.38Å; S219-H223 PolarHBondContact O-N 2.93Å
220	W	96.6	Very high	95.4	Very high	17 Å²	17	71.5 Å²	71.5	6%	0.064	35%	0.354	C	S	.	.	H	α-helix	trans	-64.5	-42.7	174.4	-176.4	84.3	0	0	0	112.8	L151 L154 K156 P157 E216 I217 K218 E222 H223 M224 L232	L151-W220 HydrophobicContact CD2-CH2 4.39Å; L151-W220 HydrophobicContact CD2-CZ2 4.49Å; L154-W220 PolarHBondContact O-NE1 2.92Å; K156-W220 HydrophobicContact CB-CH2 4.41Å; K156-W220 HydrophobicContact CB-CZ2 3.78Å; K156-W220 HydrophobicContact CD-CH2 3.89Å; K156-W220 HydrophobicContact CD-CZ2 4.11Å; K156-W220 HydrophobicContact CD-CZ3 4.34Å; K156-W220 HydrophobicContact CG-CD2 4.39Å; K156-W220 HydrophobicContact CG-CH2 4.09Å; K156-W220 HydrophobicContact CG-CZ2 3.92Å; K156-W220 HydrophobicContact CG-CZ3 4.41Å; P157-W220 VanDerWaalsContact CD-CG 3.42Å; P157-W220 HydrophobicContact CG-CB 3.83Å; P157-W220 HydrophobicContact CG-CG 4.15Å; E216-W220 VanDerWaalsContact O-CB 3.23Å; E216-W220 WeakPolarHBondContact O-CB 3.48Å; E216-W220 PolarHBondContact O-N 3.14Å; I217-W220 HydrophobicContact CD1-CE3 3.99Å; K218-W220 VanDerWaalsContact C-N 3.28Å; K218-W220 PolarHBondContact O-N 2.88Å; W220-E222 VanDerWaalsContact C-N 3.34Å; W220-E222 PolarHBondContact O-N 3.3Å; W220-H223 PolarHBondContact O-N 3.4Å; W220-M224 HydrophobicContact CD2-CG 3.87Å; W220-M224 HydrophobicContact CE3-CG 3.99Å; W220-M224 HydrophobicContact CH2-CG 3.77Å; W220-M224 HydrophobicContact CH2-SD 4.35Å; W220-M224 HydrophobicContact CZ2-CG 3.62Å; W220-M224 HydrophobicContact CZ2-SD 3.75Å; W220-M224 HydrophobicContact CZ3-CG 3.94Å; W220-M224 VanDerWaalsContact O-CG 3.29Å; W220-M224 WeakPolarHBondContact O-CG 3.48Å; W220-M224 PolarHBondContact O-N 3.49Å; W220-L232 HydrophobicContact CH2-CB 3.91Å
221	E	95.2	Very high	95.1	Very high	4 Å²	4	71.7 Å²	71.7	2%	0.019	36%	0.36	C	S	.	.	H	α-helix	trans	-64.4	-37.6	176.9	-77.9	-178.2	152.6	0	0	112.4	I217 K218 M224 I225 V233 R234 T237	I217-E221 WeakPolarHBondContact O-CB 3.39Å; I217-E221 WeakPolarHBondContact O-CG 3.32Å; I217-E221 PolarHBondContact O-N 3.43Å; K218-E221 PolarHBondContact O-N 2.93Å; K218-E221 VanDerWaalsContact O-N 3.13Å; E221-M224 PolarHBondContact O-N 3.44Å; E221-I225 WeakPolarHBondContact O-CD1 3.48Å; E221-I225 WeakPolarHBondContact O-CG1 3.38Å; E221-I225 PolarHBondContact O-N 3.41Å; E221-V233 HydrophobicContact CB-CG1 4.15Å; E221-V233 HydrophobicContact CB-CG2 4.26Å; E221-V233 HydrophobicContact CG-CB 4.46Å; E221-V233 HydrophobicContact CG-CG1 3.99Å; E221-V233 HydrophobicContact CG-CG2 4.32Å; E221-R234 WeakPolarHBondContact OE1-CB 3.38Å; E221-R234 VanDerWaalsContact OE1-CG 3.26Å; E221-R234 WeakPolarHBondContact OE1-CG 3.41Å; E221-R234 IonicContact OE1-CZ 3.91Å; E221-R234 PolarHBondContact OE1-N 2.93Å; E221-R234 IonicContact OE1-NE 3.63Å; E221-R234 PolarHBondContact OE1-NE 3.09Å; E221-R234 IonicContact OE1-NH2 2.87Å; E221-R234 PolarHBondContact OE1-NH2 3.18Å; E221-R234 IonicContact OE2-CZ 3.86Å; E221-R234 IonicContact OE2-NE 2.66Å; E221-R234 IonicContact OE2-NH2 2.75Å; E221-R234 PolarHBondContact OE2-NH2 3.34Å; E221-T237 WeakPolarHBondContact OE2-CB 3.26Å; E221-T237 PolarHBondContact OE2-OG1 2.91Å
222	E	94.1	Very high	94.8	Very high	123 Å²	123	68.5 Å²	68.5	58%	0.575	34%	0.343	S	S	*	.	H	α-helix	trans	-63.1	-48	173.3	-72.1	168.8	-179.5	0	0	111	K218 S219 W220 M224 I225 D226	K218-E222 WeakPolarHBondContact O-CG 3.32Å; K218-E222 PolarHBondContact O-N 3.35Å; S219-E222 PolarHBondContact O-N 2.94Å; W220-E222 VanDerWaalsContact C-N 3.34Å; W220-E222 PolarHBondContact O-N 3.3Å; E222-M224 VanDerWaalsContact C-N 3.32Å; E222-M224 PolarHBondContact O-N 3.11Å; E222-I225 WeakPolarHBondContact O-CA 3.28Å; E222-I225 VanDerWaalsContact O-CB 3.27Å; E222-I225 WeakPolarHBondContact O-CB 3.27Å; E222-I225 PolarHBondContact O-N 3.16Å; E222-I225 VanDerWaalsContact O-N 3.08Å; E222-D226 PolarHBondContact O-N 3.12Å
223	H	95.2	Very high	94.5	Very high	100 Å²	100	65.3 Å²	65.3	46%	0.463	33%	0.332	S	S	.	.	H	α-helix	trans	-61.1	-38.2	175.8	-179.2	-122.4	0	0	0	112.9	S219 W220 I225 D226 I227	S219-H223 WeakPolarHBondContact O-CB 3.38Å; S219-H223 PolarHBondContact O-N 2.93Å; W220-H223 PolarHBondContact O-N 3.4Å; H223-I225 VanDerWaalsContact C-N 3.3Å; H223-I225 PolarHBondContact O-N 2.94Å; H223-D226 PolarHBondContact O-N 3.18Å; H223-I227 WeakPolarHBondContact CE1-CD1 3.26Å; H223-I227 WeakPolarHBondContact NE2-CD1 3.48Å; H223-I227 WeakPolarHBondContact O-CG1 3.35Å; H223-I227 PolarHBondContact O-N 2.91Å; H223-I227 VanDerWaalsContact O-N 3.1Å
224	M	95.9	Very high	94.3	Very high	1 Å²	1	68 Å²	68	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-66.1	-33.6	175.3	-69.5	-56.3	95.5	0	0	112.5	L154 W220 E221 E222 I227 G228 R229 L232 V233	L154-M224 HydrophobicContact CD1-SD 4.24Å; W220-M224 HydrophobicContact CD2-CG 3.87Å; W220-M224 HydrophobicContact CE3-CG 3.99Å; W220-M224 HydrophobicContact CH2-CG 3.77Å; W220-M224 HydrophobicContact CH2-SD 4.35Å; W220-M224 HydrophobicContact CZ2-CG 3.62Å; W220-M224 HydrophobicContact CZ2-SD 3.75Å; W220-M224 HydrophobicContact CZ3-CG 3.94Å; W220-M224 VanDerWaalsContact O-CG 3.29Å; W220-M224 WeakPolarHBondContact O-CG 3.48Å; W220-M224 PolarHBondContact O-N 3.49Å; E221-M224 PolarHBondContact O-N 3.44Å; E222-M224 VanDerWaalsContact C-N 3.32Å; E222-M224 PolarHBondContact O-N 3.11Å; M224-I227 HydrophobicContact CE-CD1 4.03Å; M224-G228 PolarHBondContact O-N 2.98Å; M224-R229 CarbonylContact O-C 3.46Å; M224-R229 WeakPolarHBondContact O-CA 3.33Å; M224-R229 PolarHBondContact O-N 3.38Å; M224-L232 HydrophobicContact SD-CD1 4.15Å; M224-V233 HydrophobicContact CB-CG2 4.15Å
225	I	93.1	Very high	93.7	Very high	35 Å²	35	64.5 Å²	64.5	18%	0.179	34%	0.341	C	S	.	.	H	α-helix	trans	-64.2	-44.8	172.7	-80.8	159.7	0	0	0	110.5	E221 E222 H223 I227 G228 E230 V233 K241	E221-I225 WeakPolarHBondContact O-CD1 3.48Å; E221-I225 WeakPolarHBondContact O-CG1 3.38Å; E221-I225 PolarHBondContact O-N 3.41Å; E222-I225 WeakPolarHBondContact O-CA 3.28Å; E222-I225 VanDerWaalsContact O-CB 3.27Å; E222-I225 WeakPolarHBondContact O-CB 3.27Å; E222-I225 PolarHBondContact O-N 3.16Å; E222-I225 VanDerWaalsContact O-N 3.08Å; H223-I225 VanDerWaalsContact C-N 3.3Å; H223-I225 PolarHBondContact O-N 2.94Å; I225-I227 VanDerWaalsContact C-N 3.31Å; I225-I227 PolarHBondContact O-N 3.12Å; I225-G228 WeakPolarHBondContact O-CA 3.46Å; I225-G228 PolarHBondContact O-N 3.28Å; I225-E230 HydrophobicContact CG1-CG 4.27Å; I225-V233 HydrophobicContact CD1-CG2 4.49Å; I225-V233 HydrophobicContact CG1-CG2 4.14Å; I225-K241 HydrophobicContact CD1-CD 3.93Å; I225-K241 HydrophobicContact CG1-CD 4.43Å
226	D	93.6	Very high	93	Very high	132 Å²	132	67.1 Å²	67.1	71%	0.706	35%	0.35	S	S	*	.	H	α-helix	trans	-66.5	-34.9	-176.8	-66.1	-18	0	0	0	111.9	E222 H223 G228	E222-D226 PolarHBondContact O-N 3.12Å; H223-D226 PolarHBondContact O-N 3.18Å; D226-G228 PolarHBondContact O-N 3.5Å
227	I	94.3	Very high	92.1	Very high	97 Å²	97	65.9 Å²	65.9	50%	0.497	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-12.5	172.4	-64.9	171.2	0	0	0	112.2	H223 M224 I225 R229	H223-I227 WeakPolarHBondContact CE1-CD1 3.26Å; H223-I227 WeakPolarHBondContact NE2-CD1 3.48Å; H223-I227 WeakPolarHBondContact O-CG1 3.35Å; H223-I227 PolarHBondContact O-N 2.91Å; H223-I227 VanDerWaalsContact O-N 3.1Å; M224-I227 HydrophobicContact CE-CD1 4.03Å; I225-I227 VanDerWaalsContact C-N 3.31Å; I225-I227 PolarHBondContact O-N 3.12Å; I227-R229 HydrophobicContact CG2-CG 4.09Å
228	G	92.5	Very high	91.2	Very high	55 Å²	55	68.5 Å²	68.5	57%	0.567	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	11.4	-177.2	0	0	0	0	0	114.6	M224 I225 D226 E230	M224-G228 PolarHBondContact O-N 2.98Å; I225-G228 WeakPolarHBondContact O-CA 3.46Å; I225-G228 PolarHBondContact O-N 3.28Å; D226-G228 PolarHBondContact O-N 3.5Å; G228-E230 VanDerWaalsContact C-N 3.27Å; G228-E230 PolarHBondContact O-N 3Å
229	R	93.4	Very high	90.5	Very high	75 Å²	75	65.5 Å²	65.5	28%	0.283	35%	0.353	S	S	.	.			trans	-90.7	53.7	175.1	-69.2	-63.6	-55.2	-93.8	0.9	111.6	E150 M224 I227 D231 L232	E150-R229 IonicContact OE1-CZ 3.54Å; E150-R229 VanDerWaalsContact OE1-CZ 3.29Å; E150-R229 IonicContact OE1-NH1 3.48Å; E150-R229 PolarHBondContact OE1-NH1 3.46Å; E150-R229 IonicContact OE1-NH2 2.83Å; E150-R229 PolarHBondContact OE1-NH2 3.39Å; M224-R229 CarbonylContact O-C 3.46Å; M224-R229 WeakPolarHBondContact O-CA 3.33Å; M224-R229 PolarHBondContact O-N 3.38Å; I227-R229 HydrophobicContact CG2-CG 4.09Å; R229-D231 VanDerWaalsContact C-OD1 3.27Å; R229-D231 WeakPolarHBondContact CA-OD1 3.35Å; R229-D231 IonicContact CZ-OD1 2.78Å; R229-D231 IonicContact CZ-OD2 3.29Å; R229-D231 IonicContact NE-OD1 2.98Å; R229-D231 PolarHBondContact NE-OD1 3.18Å; R229-D231 IonicContact NE-OD2 3.75Å; R229-D231 IonicContact NH2-OD1 3.72Å; R229-D231 IonicContact NH2-OD2 2.87Å; R229-D231 PolarHBondContact NH2-OD2 3.12Å; R229-D231 PolarHBondContact O-N 3.45Å; R229-D231 VanDerWaalsContact O-N 3.14Å; R229-L232 HydrophobicContact CB-CD1 4.27Å; R229-L232 PolarHBondContact O-N 3Å
230	E	91.5	Very high	89.7	Confident	85 Å²	85	69.3 Å²	69.3	40%	0.397	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-62.6	-21.3	179.8	-59.3	-167	161.5	0	0	112.6	I225 G228 L232 V233 Q238 K241	I225-E230 HydrophobicContact CG1-CG 4.27Å; G228-E230 VanDerWaalsContact C-N 3.27Å; G228-E230 PolarHBondContact O-N 3Å; E230-L232 PolarHBondContact O-N 2.93Å; E230-L232 VanDerWaalsContact O-N 3.12Å; E230-V233 WeakPolarHBondContact O-CB 3.22Å; E230-V233 PolarHBondContact O-N 3.4Å; E230-V233 VanDerWaalsContact O-N 3.15Å; E230-Q238 PolarHBondContact O-NE2 3.5Å; E230-K241 IonicContact OE1-NZ 2.7Å; E230-K241 PolarHBondContact OE1-NZ 3.47Å
231	D	91.1	Very high	88.9	Confident	100 Å²	100	72.1 Å²	72.1	54%	0.535	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-57	-24.3	177.1	64.5	-60.7	0	0	0	113.8	R229	R229-D231 VanDerWaalsContact C-OD1 3.27Å; R229-D231 WeakPolarHBondContact CA-OD1 3.35Å; R229-D231 IonicContact CZ-OD1 2.78Å; R229-D231 IonicContact CZ-OD2 3.29Å; R229-D231 IonicContact NE-OD1 2.98Å; R229-D231 PolarHBondContact NE-OD1 3.18Å; R229-D231 IonicContact NE-OD2 3.75Å; R229-D231 IonicContact NH2-OD1 3.72Å; R229-D231 IonicContact NH2-OD2 2.87Å; R229-D231 PolarHBondContact NH2-OD2 3.12Å; R229-D231 PolarHBondContact O-N 3.45Å; R229-D231 VanDerWaalsContact O-N 3.14Å
232	L	91.3	Very high	88.2	Confident	25 Å²	25	79 Å²	79	13%	0.131	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-92.7	-10.5	-176.4	-59.1	-178.5	0	0	0	114	L151 L154 W220 M224 R229 E230	L151-L232 HydrophobicContact CD2-CD1 4.32Å; L151-L232 HydrophobicContact CD2-CD2 4.09Å; L154-L232 HydrophobicContact CD1-CD1 3.33Å; W220-L232 HydrophobicContact CH2-CB 3.91Å; M224-L232 HydrophobicContact SD-CD1 4.15Å; R229-L232 HydrophobicContact CB-CD1 4.27Å; R229-L232 PolarHBondContact O-N 3Å; E230-L232 PolarHBondContact O-N 2.93Å; E230-L232 VanDerWaalsContact O-N 3.12Å
233	V	92.5	Very high	87.5	Confident	7 Å²	7	80.3 Å²	80.3	4%	0.042	41%	0.408	C	S	.	.	S	Bend	trans	-80.2	144.3	-178.6	178	0	0	0	0	110.5	E221 M224 I225 E230 T237 Q238	E221-V233 HydrophobicContact CB-CG1 4.15Å; E221-V233 HydrophobicContact CB-CG2 4.26Å; E221-V233 HydrophobicContact CG-CB 4.46Å; E221-V233 HydrophobicContact CG-CG1 3.99Å; E221-V233 HydrophobicContact CG-CG2 4.32Å; M224-V233 HydrophobicContact CB-CG2 4.15Å; I225-V233 HydrophobicContact CD1-CG2 4.49Å; I225-V233 HydrophobicContact CG1-CG2 4.14Å; E230-V233 WeakPolarHBondContact O-CB 3.22Å; E230-V233 PolarHBondContact O-N 3.4Å; E230-V233 VanDerWaalsContact O-N 3.15Å; V233-T237 HydrophobicContact CG1-CG2 3.72Å; V233-Q238 HydrophobicContact CB-CG 4.03Å; V233-Q238 HydrophobicContact CG1-CG 3.95Å; V233-Q238 PolarHBondContact O-NE2 2.93Å; V233-Q238 VanDerWaalsContact O-NE2 3.12Å
234	R	92.2	Very high	86.8	Confident	100 Å²	100	79.3 Å²	79.3	38%	0.377	41%	0.409	S	S	.	.			trans	-62.4	144.1	178.4	-68.6	171.8	-67.1	178.4	1.6	111.4	I217 E221 Q236 T237 Q238	I217-R234 VanDerWaalsContact CG2-NH2 3.33Å; E221-R234 WeakPolarHBondContact OE1-CB 3.38Å; E221-R234 VanDerWaalsContact OE1-CG 3.26Å; E221-R234 WeakPolarHBondContact OE1-CG 3.41Å; E221-R234 IonicContact OE1-CZ 3.91Å; E221-R234 PolarHBondContact OE1-N 2.93Å; E221-R234 IonicContact OE1-NE 3.63Å; E221-R234 PolarHBondContact OE1-NE 3.09Å; E221-R234 IonicContact OE1-NH2 2.87Å; E221-R234 PolarHBondContact OE1-NH2 3.18Å; E221-R234 IonicContact OE2-CZ 3.86Å; E221-R234 IonicContact OE2-NE 2.66Å; E221-R234 IonicContact OE2-NH2 2.75Å; E221-R234 PolarHBondContact OE2-NH2 3.34Å; R234-Q236 PolarHBondContact O-N 3.01Å; R234-Q236 VanDerWaalsContact O-N 3.14Å; R234-T237 PolarHBondContact O-N 3.34Å; R234-Q238 PolarHBondContact O-N 3.4Å
235	G	84.6	Confident	86.1	Confident	49 Å²	49	81.4 Å²	81.4	51%	0.505	43%	0.426	S	S	.	.	H	α-helix	trans	-57.8	-31.7	-178.8	0	0	0	0	0	114.3	S239	G235-S239 WeakPolarHBondContact O-CB 3.19Å; G235-S239 PolarHBondContact O-N 3.47Å; G235-S239 PolarHBondContact O-OG 3.25Å; G235-S239 VanDerWaalsContact O-OG 3.1Å
236	Q	80.8	Confident	85.6	Confident	149 Å²	149	82.5 Å²	82.5	70%	0.696	44%	0.44	S	S	*	.	H	α-helix	trans	-64.2	-43.3	173.7	-69.6	-175.4	-14.9	0	0	112.2	R234 S239 K240	R234-Q236 PolarHBondContact O-N 3.01Å; R234-Q236 VanDerWaalsContact O-N 3.14Å; Q236-S239 PolarHBondContact O-OG 3.09Å; Q236-K240 WeakPolarHBondContact O-CG 3.39Å; Q236-K240 PolarHBondContact O-N 3.11Å; Q236-K240 VanDerWaalsContact O-N 3.14Å
237	T	79.1	Confident	85.1	Confident	42 Å²	42	80.6 Å²	80.6	26%	0.258	43%	0.434	S	S	.	.	H	α-helix	trans	-68.5	-43	177.9	-52.7	0	0	0	0	110.6	E221 V233 R234 S239 K240 K241	E221-T237 WeakPolarHBondContact OE2-CB 3.26Å; E221-T237 PolarHBondContact OE2-OG1 2.91Å; V233-T237 HydrophobicContact CG1-CG2 3.72Å; R234-T237 PolarHBondContact O-N 3.34Å; T237-S239 PolarHBondContact O-N 3.22Å; T237-K240 PolarHBondContact O-N 3.21Å; T237-K241 PolarHBondContact O-N 2.92Å
238	Q	78	Confident	84.5	Confident	59 Å²	59	85.3 Å²	85.3	28%	0.276	45%	0.445	S	S	.	.	H	α-helix	trans	-59.4	-44.6	175.5	-67.8	179.4	-2.4	0	0	112.5	E230 V233 R234 K241 K242	E230-Q238 PolarHBondContact O-NE2 3.5Å; V233-Q238 HydrophobicContact CB-CG 4.03Å; V233-Q238 HydrophobicContact CG1-CG 3.95Å; V233-Q238 PolarHBondContact O-NE2 2.93Å; V233-Q238 VanDerWaalsContact O-NE2 3.12Å; R234-Q238 PolarHBondContact O-N 3.4Å; Q238-K241 PolarHBondContact O-N 3.3Å; Q238-K242 WeakPolarHBondContact O-CG 3.42Å; Q238-K242 PolarHBondContact O-N 3.08Å
239	S	79.1	Confident	83.8	Confident	55 Å²	55	89.9 Å²	89.9	39%	0.385	45%	0.45	S	S	.	.	H	α-helix	trans	-66.3	-39.7	179.5	61.6	0	0	0	0	112.4	G235 Q236 T237 K242 K243	G235-S239 WeakPolarHBondContact O-CB 3.19Å; G235-S239 PolarHBondContact O-N 3.47Å; G235-S239 PolarHBondContact O-OG 3.25Å; G235-S239 VanDerWaalsContact O-OG 3.1Å; Q236-S239 PolarHBondContact O-OG 3.09Å; T237-S239 PolarHBondContact O-N 3.22Å; S239-K242 PolarHBondContact O-N 3.45Å; S239-K243 WeakPolarHBondContact O-CG 3.36Å; S239-K243 PolarHBondContact O-N 3.39Å
240	K	80.5	Confident	83.2	Confident	145 Å²	145	88.8 Å²	88.8	63%	0.63	46%	0.457	S	S	*	.	H	α-helix	trans	-60.7	-42.2	172.1	-73.4	178.1	-179.8	-176.4	0	112	Q236 T237 K243 T244	Q236-K240 WeakPolarHBondContact O-CG 3.39Å; Q236-K240 PolarHBondContact O-N 3.11Å; Q236-K240 VanDerWaalsContact O-N 3.14Å; T237-K240 PolarHBondContact O-N 3.21Å; K240-K243 PolarHBondContact O-N 3.29Å; K240-T244 WeakPolarHBondContact O-CG2 3.32Å; K240-T244 PolarHBondContact O-N 3.04Å; K240-T244 PolarHBondContact O-OG1 3.35Å
241	K	78.4	Confident	82.6	Confident	76 Å²	76	88.5 Å²	88.5	33%	0.33	46%	0.46	S	S	.	.	H	α-helix	trans	-63.5	-44.4	175.3	-169.6	-175.1	-179.7	-171.1	0	112.2	I225 E230 T237 Q238 K243 T244 A245	I225-K241 HydrophobicContact CD1-CD 3.93Å; I225-K241 HydrophobicContact CG1-CD 4.43Å; E230-K241 IonicContact OE1-NZ 2.7Å; E230-K241 PolarHBondContact OE1-NZ 3.47Å; T237-K241 PolarHBondContact O-N 2.92Å; Q238-K241 PolarHBondContact O-N 3.3Å; K241-K243 PolarHBondContact O-N 3.31Å; K241-T244 VanDerWaalsContact CA-OG1 3.32Å; K241-T244 WeakPolarHBondContact CA-OG1 3.38Å; K241-T244 PolarHBondContact O-N 3.37Å; K241-T244 PolarHBondContact O-OG1 2.97Å; K241-A245 VanDerWaalsContact O-CB 3.29Å; K241-A245 WeakPolarHBondContact O-CB 3.35Å; K241-A245 PolarHBondContact O-N 3.14Å
242	K	80.2	Confident	82	Confident	148 Å²	148	91.6 Å²	91.6	64%	0.643	47%	0.469	S	S	*	.	H	α-helix	trans	-61.7	-42.9	176.4	-74.3	-178.9	-179.7	179.6	0	111.9	Q238 S239 A245 A246	Q238-K242 WeakPolarHBondContact O-CG 3.42Å; Q238-K242 PolarHBondContact O-N 3.08Å; S239-K242 PolarHBondContact O-N 3.45Å; K242-A245 PolarHBondContact O-N 3.27Å; K242-A246 WeakPolarHBondContact O-CB 3.43Å; K242-A246 PolarHBondContact O-N 2.89Å
243	K	80.9	Confident	81.3	Confident	151 Å²	151	97.6 Å²	97.6	66%	0.657	49%	0.494	S	S	*	.	H	α-helix	trans	-62	-49.5	175.3	-72.9	-179.2	-179.8	-173	0	111.8	S239 K240 K241 A245 A246 V247	S239-K243 WeakPolarHBondContact O-CG 3.36Å; S239-K243 PolarHBondContact O-N 3.39Å; K240-K243 PolarHBondContact O-N 3.29Å; K241-K243 PolarHBondContact O-N 3.31Å; K243-A245 PolarHBondContact O-N 3.45Å; K243-A246 WeakPolarHBondContact O-CB 3.36Å; K243-A246 PolarHBondContact O-N 3.41Å; K243-V247 WeakPolarHBondContact O-CG2 3.49Å; K243-V247 PolarHBondContact O-N 2.85Å
244	T	78.9	Confident	80.4	Confident	80 Å²	80	101.5 Å²	101.5	49%	0.491	52%	0.518	S	S	.	.	H	α-helix	trans	-63.1	-39.5	178.4	48.8	0	0	0	0	112.4	K240 K241 V247 R248	K240-T244 WeakPolarHBondContact O-CG2 3.32Å; K240-T244 PolarHBondContact O-N 3.04Å; K240-T244 PolarHBondContact O-OG1 3.35Å; K241-T244 VanDerWaalsContact CA-OG1 3.32Å; K241-T244 WeakPolarHBondContact CA-OG1 3.38Å; K241-T244 PolarHBondContact O-N 3.37Å; K241-T244 PolarHBondContact O-OG1 2.97Å; T244-V247 PolarHBondContact O-N 3.36Å; T244-R248 WeakPolarHBondContact O-CB 3.31Å; T244-R248 VanDerWaalsContact O-CG 3.32Å; T244-R248 WeakPolarHBondContact O-CG 3.48Å; T244-R248 PolarHBondContact O-N 3.37Å
245	A	81.9	Confident	79.6	Confident	44 Å²	44	99.1 Å²	99.1	36%	0.364	52%	0.52	S	S	.	.	H	α-helix	trans	-64.2	-39.3	173.6	0	0	0	0	0	112.5	K241 K242 K243 R248 K249	K241-A245 VanDerWaalsContact O-CB 3.29Å; K241-A245 WeakPolarHBondContact O-CB 3.35Å; K241-A245 PolarHBondContact O-N 3.14Å; K242-A245 PolarHBondContact O-N 3.27Å; K243-A245 PolarHBondContact O-N 3.45Å; A245-R248 PolarHBondContact O-N 3.1Å; A245-K249 WeakPolarHBondContact O-CB 3.36Å; A245-K249 WeakPolarHBondContact O-CG 3.48Å; A245-K249 PolarHBondContact O-N 3.12Å
246	A	82.7	Confident	79	Confident	58 Å²	58	99.1 Å²	99.1	48%	0.479	52%	0.515	S	S	.	.	H	α-helix	trans	-64.8	-43.7	175.3	0	0	0	0	0	111.8	K242 K243 K249 A250	K242-A246 WeakPolarHBondContact O-CB 3.43Å; K242-A246 PolarHBondContact O-N 2.89Å; K243-A246 WeakPolarHBondContact O-CB 3.36Å; K243-A246 PolarHBondContact O-N 3.41Å; A246-K249 PolarHBondContact O-N 3.48Å; A246-A250 WeakPolarHBondContact O-CB 3.46Å; A246-A250 PolarHBondContact O-N 3.5Å
247	V	83.7	Confident	78.7	Confident	93 Å²	93	99.6 Å²	99.6	56%	0.564	52%	0.515	S	S	*	.	H	α-helix	trans	-62.2	-46	175.6	174.9	0	0	0	0	110.9	K243 T244 K249 A250 T251	K243-V247 WeakPolarHBondContact O-CG2 3.49Å; K243-V247 PolarHBondContact O-N 2.85Å; T244-V247 PolarHBondContact O-N 3.36Å; V247-K249 VanDerWaalsContact C-N 3.31Å; V247-K249 PolarHBondContact O-N 3.38Å; V247-A250 WeakPolarHBondContact O-CB 3.33Å; V247-A250 PolarHBondContact O-N 3.11Å; V247-A250 VanDerWaalsContact O-N 3.12Å; V247-T251 PolarHBondContact O-N 3.08Å; V247-T251 PolarHBondContact O-OG1 3.42Å
248	R	80.2	Confident	78.4	Confident	195 Å²	195	100.9 Å²	100.9	74%	0.736	53%	0.526	S	S	*	.	H	α-helix	trans	-61	-37.3	175.8	-72	176	76.7	-177.6	4.9	112.8	T244 A245 T251 K252	T244-R248 WeakPolarHBondContact O-CB 3.31Å; T244-R248 VanDerWaalsContact O-CG 3.32Å; T244-R248 WeakPolarHBondContact O-CG 3.48Å; T244-R248 PolarHBondContact O-N 3.37Å; A245-R248 PolarHBondContact O-N 3.1Å; R248-T251 WeakPolarHBondContact CA-OG1 3.45Å; R248-T251 PolarHBondContact O-OG1 3.34Å; R248-T251 VanDerWaalsContact O-OG1 3.11Å; R248-K252 WeakPolarHBondContact O-CB 3.5Å; R248-K252 PolarHBondContact O-N 3.21Å; R248-K252 VanDerWaalsContact O-N 3.12Å
249	K	79.1	Confident	78.2	Confident	152 Å²	152	102.4 Å²	102.4	66%	0.661	54%	0.539	S	S	*	.	H	α-helix	trans	-69.1	-37.4	174.3	-77.2	179.4	179.5	-178.9	0	111.8	A245 A246 V247 K253	A245-K249 WeakPolarHBondContact O-CB 3.36Å; A245-K249 WeakPolarHBondContact O-CG 3.48Å; A245-K249 PolarHBondContact O-N 3.12Å; A246-K249 PolarHBondContact O-N 3.48Å; V247-K249 VanDerWaalsContact C-N 3.31Å; V247-K249 PolarHBondContact O-N 3.38Å; K249-K253 WeakPolarHBondContact O-CG 3.38Å; K249-K253 PolarHBondContact O-N 3.22Å; K249-K253 VanDerWaalsContact O-N 3.12Å
250	A	80.8	Confident	77.9	Confident	52 Å²	52	107.2 Å²	107.2	43%	0.43	55%	0.553	S	S	.	*	H	α-helix	trans	-67.5	-45.5	177.4	0	0	0	0	0	111.9	A246 V247 K252 K253 T254	A246-A250 WeakPolarHBondContact O-CB 3.46Å; A246-A250 PolarHBondContact O-N 3.5Å; V247-A250 WeakPolarHBondContact O-CB 3.33Å; V247-A250 PolarHBondContact O-N 3.11Å; V247-A250 VanDerWaalsContact O-N 3.12Å; A250-K252 PolarHBondContact O-N 3.21Å; A250-K253 PolarHBondContact O-N 3Å; A250-T254 PolarHBondContact O-N 3.44Å; A250-T254 PolarHBondContact O-OG1 2.98Å
251	T	78.8	Confident	77.4	Confident	78 Å²	78	108.5 Å²	108.5	48%	0.479	56%	0.558	S	S	.	*	H	α-helix	trans	-65.8	-37.7	177.4	52.3	0	0	0	0	112.6	V247 R248 K253 T254 A255	V247-T251 PolarHBondContact O-N 3.08Å; V247-T251 PolarHBondContact O-OG1 3.42Å; R248-T251 WeakPolarHBondContact CA-OG1 3.45Å; R248-T251 PolarHBondContact O-OG1 3.34Å; R248-T251 VanDerWaalsContact O-OG1 3.11Å; T251-K253 VanDerWaalsContact C-N 3.32Å; T251-K253 PolarHBondContact O-N 2.97Å; T251-T254 WeakPolarHBondContact CA-OG1 2.87Å; T251-T254 PolarHBondContact O-N 3.16Å; T251-T254 PolarHBondContact O-OG1 3.03Å; T251-A255 VanDerWaalsContact O-CB 3.28Å; T251-A255 WeakPolarHBondContact O-CB 3.46Å; T251-A255 PolarHBondContact O-N 3.31Å
252	K	79	Confident	77	Confident	166 Å²	166	107.7 Å²	107.7	72%	0.722	57%	0.566	S	S	*	*	H	α-helix	trans	-65.1	-34.9	173.3	-164.8	172.4	-176.6	176.2	0	112.1	R248 A250 A256	R248-K252 WeakPolarHBondContact O-CB 3.5Å; R248-K252 PolarHBondContact O-N 3.21Å; R248-K252 VanDerWaalsContact O-N 3.12Å; A250-K252 PolarHBondContact O-N 3.21Å; K252-A256 VanDerWaalsContact O-CB 3.27Å; K252-A256 WeakPolarHBondContact O-CB 3.32Å; K252-A256 PolarHBondContact O-N 3.25Å
253	K	75.4	Confident	76.4	Confident	151 Å²	151	104.5 Å²	104.5	66%	0.657	56%	0.559	S	S	*	*	H	α-helix	trans	-71.3	-39.4	175.1	-78	-179.2	179.4	-174.4	0	112.8	K249 A250 T251 K257	K249-K253 WeakPolarHBondContact O-CG 3.38Å; K249-K253 PolarHBondContact O-N 3.22Å; K249-K253 VanDerWaalsContact O-N 3.12Å; A250-K253 PolarHBondContact O-N 3Å; T251-K253 VanDerWaalsContact C-N 3.32Å; T251-K253 PolarHBondContact O-N 2.97Å; K253-K257 WeakPolarHBondContact O-CG 3.46Å; K253-K257 PolarHBondContact O-N 2.93Å; K253-K257 VanDerWaalsContact O-N 3.09Å
254	T	75	Confident	75.6	Confident	89 Å²	89	104 Å²	104	55%	0.546	56%	0.562	S	S	.	*	H	α-helix	trans	-70.9	-40.3	176.7	49.7	0	0	0	0	111.7	A250 T251 K257 S258	A250-T254 PolarHBondContact O-N 3.44Å; A250-T254 PolarHBondContact O-OG1 2.98Å; T251-T254 WeakPolarHBondContact CA-OG1 2.87Å; T251-T254 PolarHBondContact O-N 3.16Å; T251-T254 PolarHBondContact O-OG1 3.03Å; T254-K257 PolarHBondContact O-N 2.92Å; T254-S258 PolarHBondContact O-N 2.95Å
255	A	73.7	Confident	74.8	Confident	49 Å²	49	107.4 Å²	107.4	41%	0.405	57%	0.571	S	S	.	*	H	α-helix	trans	-62.7	-40.5	172.2	0	0	0	0	0	112.4	T251 K257 S258 V259	T251-A255 VanDerWaalsContact O-CB 3.28Å; T251-A255 WeakPolarHBondContact O-CB 3.46Å; T251-A255 PolarHBondContact O-N 3.31Å; A255-K257 VanDerWaalsContact C-N 3.29Å; A255-K257 PolarHBondContact O-N 3.24Å; A255-S258 WeakPolarHBondContact CA-OG 3.4Å; A255-S258 PolarHBondContact O-N 3.14Å; A255-S258 PolarHBondContact O-OG 2.89Å; A255-V259 VanDerWaalsContact O-CG2 3.26Å; A255-V259 WeakPolarHBondContact O-CG2 3.47Å; A255-V259 PolarHBondContact O-N 2.96Å
256	A	73.6	Confident	73.6	Confident	50 Å²	50	112.9 Å²	112.9	41%	0.413	59%	0.587	S	S	.	*	H	α-helix	trans	-65.2	-32.3	174.4	0	0	0	0	0	112.8	K252 K260	K252-A256 VanDerWaalsContact O-CB 3.27Å; K252-A256 WeakPolarHBondContact O-CB 3.32Å; K252-A256 PolarHBondContact O-N 3.25Å; A256-K260 WeakPolarHBondContact O-CG 3.35Å; A256-K260 PolarHBondContact O-N 3.16Å
257	K	73.9	Confident	72.4	Confident	158 Å²	158	114.6 Å²	114.6	69%	0.687	59%	0.591	S	S	*	*	H	α-helix	trans	-72.5	-39.2	174.2	-78.6	-177.9	178.5	-175.8	0	112.4	K253 T254 A255 K261	K253-K257 WeakPolarHBondContact O-CG 3.46Å; K253-K257 PolarHBondContact O-N 2.93Å; K253-K257 VanDerWaalsContact O-N 3.09Å; T254-K257 PolarHBondContact O-N 2.92Å; A255-K257 VanDerWaalsContact C-N 3.29Å; A255-K257 PolarHBondContact O-N 3.24Å; K257-K261 PolarHBondContact O-N 3.27Å; K257-K261 VanDerWaalsContact O-N 3.09Å
258	S	71.9	Confident	70.9	Confident	70 Å²	70	112.3 Å²	112.3	49%	0.49	59%	0.586	S	S	.	*	H	α-helix	trans	-69.1	-39.8	177.7	62.2	0	0	0	0	112.2	T254 A255 K261 A262	T254-S258 PolarHBondContact O-N 2.95Å; A255-S258 WeakPolarHBondContact CA-OG 3.4Å; A255-S258 PolarHBondContact O-N 3.14Å; A255-S258 PolarHBondContact O-OG 2.89Å; S258-K261 PolarHBondContact O-N 3.22Å; S258-A262 PolarHBondContact O-N 3.24Å
259	V	75.4	Confident	69.8	Low	91 Å²	91	110.1 Å²	110.1	55%	0.552	58%	0.582	S	S	*	*	H	α-helix	trans	-61.8	-46.4	174.3	174	0	0	0	0	110.8	A255 K261 A262 T263	A255-V259 VanDerWaalsContact O-CG2 3.26Å; A255-V259 WeakPolarHBondContact O-CG2 3.47Å; A255-V259 PolarHBondContact O-N 2.96Å; V259-K261 VanDerWaalsContact C-N 3.31Å; V259-K261 PolarHBondContact O-N 3.38Å; V259-A262 PolarHBondContact O-N 2.95Å; V259-T263 PolarHBondContact O-N 2.95Å; V259-T263 PolarHBondContact O-OG1 2.94Å
260	K	72.3	Confident	68.2	Low	156 Å²	156	111.1 Å²	111.1	68%	0.678	59%	0.586	S	S	*	*	H	α-helix	trans	-59.7	-38.1	175.4	-75.9	-177.9	179.7	-169	0	113.1	A256 L264	A256-K260 WeakPolarHBondContact O-CG 3.35Å; A256-K260 PolarHBondContact O-N 3.16Å; K260-L264 PolarHBondContact O-N 3.34Å; K260-L264 VanDerWaalsContact O-N 3.11Å
261	K	70.2	Confident	66.8	Low	171 Å²	171	116.7 Å²	116.7	74%	0.743	60%	0.604	S	S	*	*	H	α-helix	trans	-69	-38.8	177.1	-166.6	176.5	-179.5	-179	0	112	K257 S258 V259 L264 F265	K257-K261 PolarHBondContact O-N 3.27Å; K257-K261 VanDerWaalsContact O-N 3.09Å; S258-K261 PolarHBondContact O-N 3.22Å; V259-K261 VanDerWaalsContact C-N 3.31Å; V259-K261 PolarHBondContact O-N 3.38Å; K261-L264 PolarHBondContact O-N 2.93Å; K261-F265 PolarHBondContact O-N 3.48Å; K261-F265 VanDerWaalsContact O-N 3.16Å
262	A	68.9	Low	65.2	Low	59 Å²	59	122.4 Å²	122.4	49%	0.488	62%	0.622	S	S	.	*	H	α-helix	trans	-68.8	-39.3	175.6	0	0	0	0	0	112.5	S258 V259 F265 F266	S258-A262 PolarHBondContact O-N 3.24Å; V259-A262 PolarHBondContact O-N 2.95Å; A262-F265 PolarHBondContact O-N 3.04Å; A262-F266 PolarHBondContact O-N 3.48Å
263	T	68.8	Low	63.6	Low	81 Å²	81	119.1 Å²	119.1	50%	0.497	62%	0.619	S	S	.	*	H	α-helix	trans	-63.1	-40.8	173.9	-49.2	0	0	0	0	111.5	V259 F265 F266 V267	V259-T263 PolarHBondContact O-N 2.95Å; V259-T263 PolarHBondContact O-OG1 2.94Å; T263-F265 VanDerWaalsContact C-N 3.33Å; T263-F265 PolarHBondContact O-N 3.14Å; T263-F266 PolarHBondContact O-N 3.18Å; T263-V267 WeakPolarHBondContact O-CG2 3.47Å; T263-V267 PolarHBondContact O-N 2.77Å; T263-V267 VanDerWaalsContact O-N 3.08Å
264	L	63.2	Low	62.1	Low	140 Å²	140	121.4 Å²	121.4	73%	0.733	63%	0.629	S	S	*	*	H	α-helix	trans	-62	-40	175.3	-132.2	92.8	0	0	0	112.2	K260 K261 G268	K260-L264 PolarHBondContact O-N 3.34Å; K260-L264 VanDerWaalsContact O-N 3.11Å; K261-L264 PolarHBondContact O-N 2.93Å; L264-G268 PolarHBondContact O-N 3.05Å; L264-G268 VanDerWaalsContact O-N 3.14Å
265	F	61.8	Low	60.3	Low	153 Å²	153	123.9 Å²	123.9	67%	0.671	65%	0.645	S	S	*	*	H	α-helix	trans	-68.2	-37.7	178.8	-168.8	-98.4	0	0	0	112.6	K261 A262 T263 G268 K269	K261-F265 PolarHBondContact O-N 3.48Å; K261-F265 VanDerWaalsContact O-N 3.16Å; A262-F265 PolarHBondContact O-N 3.04Å; T263-F265 VanDerWaalsContact C-N 3.33Å; T263-F265 PolarHBondContact O-N 3.14Å; F265-G268 PolarHBondContact O-N 2.91Å; F265-K269 PolarHBondContact O-N 3.19Å
266	F	57.1	Low	58.4	Low	159 Å²	159	127 Å²	127	70%	0.697	66%	0.664	S	S	*	*	H	α-helix	trans	-71.8	-36	177.7	-130.6	-90.2	0	0	0	112.7	A262 T263 K269 K270	A262-F266 PolarHBondContact O-N 3.48Å; T263-F266 PolarHBondContact O-N 3.18Å; F266-K269 PolarHBondContact O-N 3.44Å; F266-K270 PolarHBondContact O-N 3.35Å
267	V	58.2	Low	56.5	Low	94 Å²	94	130 Å²	130	57%	0.57	68%	0.682	S	S	*	*	H	α-helix	trans	-64.7	-40.3	173.2	170.5	0	0	0	0	111.1	T263 K269 K270	T263-V267 WeakPolarHBondContact O-CG2 3.47Å; T263-V267 PolarHBondContact O-N 2.77Å; T263-V267 VanDerWaalsContact O-N 3.08Å; V267-K269 VanDerWaalsContact C-N 3.29Å; V267-K269 PolarHBondContact O-N 2.97Å; V267-K270 PolarHBondContact O-N 2.91Å
268	G	52.9	Low	54.6	Low	44 Å²	44	132.2 Å²	132.2	45%	0.454	69%	0.691	S	S	.	*	H	α-helix	trans	-65.2	-26.3	175.1	0	0	0	0	0	114.5	L264 F265	L264-G268 PolarHBondContact O-N 3.05Å; L264-G268 VanDerWaalsContact O-N 3.14Å; F265-G268 PolarHBondContact O-N 2.91Å
269	K	55.4	Low	52.7	Low	150 Å²	150	133.3 Å²	133.3	65%	0.652	70%	0.704	S	S	*	*	H	α-helix	trans	-81.5	-28.3	178.5	-141.7	175.8	-175.4	-178.6	0	112.8	F265 F266 V267 Q271 K272	F265-K269 PolarHBondContact O-N 3.19Å; F266-K269 PolarHBondContact O-N 3.44Å; V267-K269 VanDerWaalsContact C-N 3.29Å; V267-K269 PolarHBondContact O-N 2.97Å; K269-Q271 VanDerWaalsContact C-N 3.29Å; K269-Q271 PolarHBondContact O-N 2.99Å; K269-K272 PolarHBondContact O-N 3.16Å
270	K	46.8	Very low	51	Low	173 Å²	173	138.6 Å²	138.6	75%	0.752	72%	0.72	S	S	*	*	H	α-helix	trans	-74	-14.5	-180	-135.1	178.8	-174.2	-179.3	0	113.9	F266 V267	F266-K270 PolarHBondContact O-N 3.35Å; V267-K270 PolarHBondContact O-N 2.91Å
271	Q	50.3	Low	49.7	Very low	169 Å²	169	136.7 Å²	136.7	79%	0.79	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-8	174.1	-80.8	-175.6	-44.8	0	0	114.3	K269	K269-Q271 VanDerWaalsContact C-N 3.29Å; K269-Q271 PolarHBondContact O-N 2.99Å
272	K	45.8	Very low	48	Very low	197 Å²	197	133.4 Å²	133.4	86%	0.857	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	3.2	-178.4	-99.4	-174.1	177.2	-176.7	0	115.8	K269	K269-K272 PolarHBondContact O-N 3.16Å
273	S	45.8	Very low	46.4	Very low	97 Å²	97	135.2 Å²	135.2	68%	0.678	74%	0.737	S	S	*	*	S	Bend	trans	-128.2	27.8	-174.4	74.9	0	0	0	0	115.9
274	K	44.3	Very low	44.7	Very low	199 Å²	199	136.7 Å²	136.7	87%	0.865	75%	0.751	S	S	*	*			trans	-135.7	87.2	167.3	-81.7	-169.1	175.8	-175.4	0	110.9
275	T	35.3	Very low	43.5	Very low	142 Å²	142	133.8 Å²	133.8	87%	0.871	75%	0.747	S	S	*	*			trans	-134.7	90.4	161.9	47.9	0	0	0	0	108.9
276	S	33.9	Very low	42.4	Very low	115 Å²	115	135.9 Å²	135.9	80%	0.804	76%	0.756	S	S	*	*			trans	-164.6	140.2	145.6	62.9	0	0	0	0	111.1
277	S	34.7	Very low	41.4	Very low	113 Å²	113	133.4 Å²	133.4	79%	0.79	75%	0.754	S	S	*	*			trans	89.2	102.7	166.4	78.1	0	0	0	0	119.9
278	K	33.9	Very low	40.4	Very low	203 Å²	203	134.4 Å²	134.4	88%	0.883	76%	0.76	S	S	*	*				76.4	119.8	123.2	-101.8	177.6	175.6	175.5	0	122.1
279	A	32.8	Very low	39.7	Very low	93 Å²	93	140 Å²	140	77%	0.769	77%	0.774	S	S	*	*				78.9	121.7	129.3	0	0	0	0	0	120.6
280	K	37.8	Very low	38.7	Very low	202 Å²	202	142.6 Å²	142.6	88%	0.878	79%	0.786	S	S	*	*			trans	-62.5	153	161.7	-75.2	177.5	171.5	176.9	0	111.1
281	P	46.5	Very low	38.4	Very low	117 Å²	117	141.8 Å²	141.8	76%	0.76	79%	0.79	S	S	*	*				-131.8	140.9	90.2	6.1	17.7	0	0	0	112.1
282	S	33.2	Very low	38.1	Very low	102 Å²	102	138.9 Å²	138.9	71%	0.713	79%	0.788	S	S	*	*				78	120.1	78.1	82.1	0	0	0	0	116.3
283	A	36.7	Very low	38.9	Very low	97 Å²	97	134.7 Å²	134.7	80%	0.802	78%	0.781	S	S	*	*			trans	66.4	151.1	155	0	0	0	0	0	117.8
284	S	33.2	Very low	38.5	Very low	111 Å²	111	140.5 Å²	140.5	78%	0.776	79%	0.788	S	S	*	*			cis	-173.3	166.6	-19.7	51.7	0	0	0	0	106
285	A	37.5	Very low	38.4	Very low	80 Å²	80	138.9 Å²	138.9	66%	0.661	78%	0.781	S	S	*	*			trans	87.9	116.8	150.9	0	0	0	0	0	121.4
286	K	38.6	Very low	39.3	Very low	197 Å²	197	138 Å²	138	86%	0.857	78%	0.777	S	S	*	*				74.4	144	128.2	-71.4	-174.3	174.2	175.3	0	117.7
287	T	35	Very low	40.5	Very low	106 Å²	106	142.5 Å²	142.5	65%	0.65	78%	0.782	S	S	*	*			cis	176.3	151.1	-0.5	-95.3	0	0	0	0	106.8
288	V	37.8	Very low	41.3	Very low	115 Å²	115	149.6 Å²	149.6	70%	0.697	81%	0.807	S	S	*	*			trans	70.1	145.7	153.5	159.7	0	0	0	0	117.4
289	Q	38.2	Very low	41.7	Very low	162 Å²	162	147 Å²	147	76%	0.757	80%	0.803	S	S	*	*			cis	-159.5	149.4	-17.4	-106.5	167.1	-9.2	0	0	104.1
290	K	35.6	Very low	42.1	Very low	205 Å²	205	149.8 Å²	149.8	89%	0.891	81%	0.805	S	S	*	*			trans	-126.1	98.1	173.3	-167.5	-178.8	-173.7	-179.6	0	108
291	D	39.8	Very low	42.4	Very low	156 Å²	156	146.9 Å²	146.9	83%	0.834	80%	0.8	S	S	*	*			trans	-93.2	148.5	166.6	-96.7	-33	0	0	0	111.3
292	S	44	Very low	42.1	Very low	107 Å²	107	148.6 Å²	148.6	75%	0.748	80%	0.803	S	S	*	*			trans	-110.1	-159.8	-157.4	-154.6	0	0	0	0	109.9
293	P	61.9	Low	42.7	Very low	110 Å²	110	151.6 Å²	151.6	71%	0.714	81%	0.808	S	S	*	*				-117.4	-178.2	-114.4	37	-18.2	0	0	0	113.7
294	R	37.9	Very low	43.1	Very low	219 Å²	219	155.2 Å²	155.2	83%	0.826	81%	0.809	S	S	*	*			trans	158.9	149.6	152.2	-91.6	177.7	-179.9	-159.2	1.1	108
295	K	42.4	Very low	43.8	Very low	164 Å²	164	158.4 Å²	158.4	71%	0.713	81%	0.811	S	S	*	*			cis	-165	166.1	8.8	-117.4	176.3	-176	-169	0	106.6
296	P	54.6	Low	44.3	Very low	123 Å²	123	164.4 Å²	164.4	80%	0.799	82%	0.823	S	S	*	*			trans	-85.3	152.2	178.3	34.4	-29.4	0	0	0	112
297	K	57.8	Low	44.8	Very low	210 Å²	210	161.7 Å²	161.7	91%	0.913	82%	0.82	S	S	*	*			trans	-107.7	147.9	168.7	-84.6	-175.2	176.4	179.9	0	110.3
298	M	52.1	Low	45.6	Very low	263 Å²	263	166.7 Å²	166.7	100%	1.296	84%	0.835	S	S	*	*			trans	-52	0	178.9	-65.9	-164.7	142.6	0	0	114.6

Retrieved 298 of 298 residues in 219.5 ms (Link to these results)

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