A0A087Y0J0_POEFO Loading...

Short/branched chain specific acyl-CoA dehydrogenase, mitochondrial

AlphaFold DB , UniProt , Accession A0A087Y0J0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 432 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43	Very low	35.1	Very low	253 Å²	253	161.3 Å²	161.3	100%	1.246	87%	0.869	S	S	*	*				0	121.7	0	-68.5	-177.6	-142.5	0	0	107.1
2	A	32.5	Very low	34.8	Very low	100 Å²	100	156.1 Å²	156.1	83%	0.826	85%	0.854	S	S	*	*			trans	-103.1	155.8	-157.9	0	0	0	0	0	113.4
3	A	31.9	Very low	34.9	Very low	98 Å²	98	153.8 Å²	153.8	81%	0.81	85%	0.848	S	S	*	*			trans	89	129.7	151.8	0	0	0	0	0	120.1
4	P	44.2	Very low	34.6	Very low	121 Å²	121	159 Å²	159	79%	0.786	85%	0.848	S	S	*	*			trans	-95.6	156.5	171.2	37.9	-30.2	0	0	0	111.8
5	L	33.7	Very low	34.4	Very low	168 Å²	168	160.5 Å²	160.5	88%	0.88	85%	0.848	S	S	*	*			trans	-119.7	105.6	173.3	-103.2	152.9	0	0	0	110.6
6	V	37.5	Very low	34.4	Very low	115 Å²	115	160.4 Å²	160.4	70%	0.697	85%	0.846	S	S	*	*			trans	-72.2	134.1	161.3	173.6	0	0	0	0	108.3	F8	V6-F8 HydrophobicContact CG1-CD2 4.44Å; V6-F8 HydrophobicContact CG1-CE2 4.41Å
7	R	32.8	Very low	34.1	Very low	237 Å²	237	157.2 Å²	157.2	89%	0.894	84%	0.84	S	S	*	*			trans	-144.2	133.5	157.3	-114.1	178.3	-176.6	-174.6	0.6	112.5
8	F	31.6	Very low	34.4	Very low	189 Å²	189	161.6 Å²	161.6	83%	0.829	84%	0.843	S	S	*	*			trans	-67.2	138.2	-175.4	-80.5	-110.1	0	0	0	112.5	V6	V6-F8 HydrophobicContact CG1-CD2 4.44Å; V6-F8 HydrophobicContact CG1-CE2 4.41Å
9	L	32	Very low	34.4	Very low	182 Å²	182	158.6 Å²	158.6	95%	0.953	83%	0.834	S	S	*	*			trans	-88.7	98.3	161.8	-81.1	161.4	0	0	0	108.9
10	S	31.6	Very low	34.4	Very low	108 Å²	108	156.9 Å²	156.9	76%	0.755	83%	0.833	S	S	*	*			trans	-92.3	120.9	167.7	61.4	0	0	0	0	110.2	S12	S10-S12 PolarHBondContact O-N 3.41Å
11	K	35.8	Very low	34.3	Very low	203 Å²	203	161.6 Å²	161.6	88%	0.883	84%	0.839	S	S	*	*			trans	-56.2	124.9	166.9	-70.3	175.4	175.2	178.5	0	109.9
12	S	31.1	Very low	33.7	Very low	99 Å²	99	153 Å²	153	69%	0.692	82%	0.815	S	S	*	*			trans	-118.5	101.7	163.4	-175.6	0	0	0	0	108.5	S10 R14	S10-S12 PolarHBondContact O-N 3.41Å; S12-R14 PolarHBondContact O-N 3.45Å
13	V	35.6	Very low	33.9	Very low	127 Å²	127	153 Å²	153	77%	0.77	82%	0.816	S	S	*	*			trans	-72.5	112.2	164.1	173.4	0	0	0	0	106.5
14	R	31.6	Very low	33.8	Very low	226 Å²	226	154.4 Å²	154.4	85%	0.853	82%	0.818	S	S	*	*			trans	-94.3	98	165	-81.3	-172.8	176.3	-163.5	-0.8	108.6	S12 I16	S12-R14 PolarHBondContact O-N 3.45Å; R14-I16 PolarHBondContact O-N 3.35Å
15	Q	31.9	Very low	33.4	Very low	181 Å²	181	157.8 Å²	157.8	85%	0.846	82%	0.823	S	S	*	*			trans	-62.8	116.8	158.2	-86.1	175	-41	0	0	108.3	S17	Q15-S17 PolarHBondContact O-N 3.48Å
16	I	33.9	Very low	33.5	Very low	159 Å²	159	154.8 Å²	154.8	82%	0.815	82%	0.816	S	S	*	*			trans	-86	103.4	165.9	-64.1	175	0	0	0	106.6	R14 R18	R14-I16 PolarHBondContact O-N 3.35Å; I16-R18 PolarHBondContact O-N 3.43Å
17	S	29.9	Very low	33.5	Very low	107 Å²	107	153.4 Å²	153.4	75%	0.748	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-66.3	120.8	170.8	49.2	0	0	0	0	110.3	Q15	Q15-S17 PolarHBondContact O-N 3.48Å
18	R	38.3	Very low	33.6	Very low	236 Å²	236	150 Å²	150	89%	0.891	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-66.8	139.8	167.2	-68.9	179.5	171.1	-174.3	-3.3	109.7	I16	I16-R18 PolarHBondContact O-N 3.43Å
19	P	35.6	Very low	33.7	Very low	104 Å²	104	153.1 Å²	153.1	68%	0.675	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-75	146.5	175.2	29.9	-31.5	0	0	0	111.2
20	P	33.5	Very low	33.7	Very low	124 Å²	124	149.2 Å²	149.2	81%	0.805	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-77.8	125.5	-179.2	31.1	-30.8	0	0	0	110	G22	P20-G22 PolarHBondContact O-N 3.11Å; P20-G22 VanDerWaalsContact O-N 3.11Å
21	W	32.8	Very low	33.8	Very low	257 Å²	257	155.3 Å²	155.3	97%	0.973	83%	0.825	S	S	*	*			trans	-73.7	100.9	168.3	-81.7	47.9	0	0	0	108.4
22	G	30.7	Very low	33.6	Very low	72 Å²	72	151.6 Å²	151.6	74%	0.742	82%	0.819	S	S	*	*			trans	-72.7	130.8	172.8	0	0	0	0	0	111.3	P20	P20-G22 PolarHBondContact O-N 3.11Å; P20-G22 VanDerWaalsContact O-N 3.11Å
23	A	35.6	Very low	33.8	Very low	101 Å²	101	153.2 Å²	153.2	84%	0.835	83%	0.825	S	S	*	*			trans	-61.6	128.9	174.2	0	0	0	0	0	111.3
24	C	30.3	Very low	33.9	Very low	126 Å²	126	152.3 Å²	152.3	85%	0.851	83%	0.825	S	S	*	*			trans	-120.9	99.7	161.8	-148.4	0	0	0	0	107.4
25	Q	36.4	Very low	34.3	Very low	193 Å²	193	145.6 Å²	145.6	90%	0.902	82%	0.817	S	S	*	*			trans	-76.7	118.2	168.7	-73.1	-177.5	-10.7	0	0	108.3
26	S	34.3	Very low	34.5	Very low	105 Å²	105	142.7 Å²	142.7	73%	0.734	81%	0.814	S	S	*	*			trans	-135.5	114.7	158.9	60.2	0	0	0	0	108.1	L28	S26-L28 PolarHBondContact O-N 3.49Å
27	G	38.5	Very low	34.8	Very low	86 Å²	86	139.8 Å²	139.8	89%	0.887	81%	0.814	S	S	*	*			trans	-64.8	127.9	-172.2	0	0	0	0	0	113.4
28	L	34.4	Very low	35.6	Very low	166 Å²	166	141.5 Å²	141.5	87%	0.869	82%	0.82	S	S	*	*			trans	-120.2	115.4	157.6	-87.8	146.1	0	0	0	106.7	S26 S30	S26-L28 PolarHBondContact O-N 3.49Å; L28-S30 PolarHBondContact O-N 3.02Å
29	R	34.5	Very low	35.6	Very low	254 Å²	254	133.8 Å²	133.8	96%	0.958	81%	0.806	S	S	*	*			trans	-58.9	105.4	175.3	-79.1	178.5	170	-164.2	-3	109.2	R31	R29-R31 PolarHBondContact O-N 3.1Å
30	S	31.4	Very low	35.9	Very low	100 Å²	100	134.8 Å²	134.8	70%	0.699	81%	0.813	S	S	*	*			trans	-69.8	108.3	166.9	166.5	0	0	0	0	109.1	L28 T32	L28-S30 PolarHBondContact O-N 3.02Å; S30-T32 PolarHBondContact O-N 3.25Å
31	R	33.2	Very low	36.5	Very low	235 Å²	235	136.6 Å²	136.6	89%	0.887	82%	0.816	S	S	*	*			trans	-68.7	103.9	158	-86.9	-179.5	169	177.2	-3	106.9	R29 T33	R29-R31 PolarHBondContact O-N 3.1Å; R31-T33 PolarHBondContact O-N 2.89Å
32	T	32.5	Very low	37	Very low	125 Å²	125	133 Å²	133	77%	0.767	81%	0.809	S	S	*	*			trans	-63.8	97.6	167.7	42.7	0	0	0	0	109.1	S30 S34	S30-T32 PolarHBondContact O-N 3.25Å; T32-S34 PolarHBondContact O-N 3.19Å
33	T	35.8	Very low	37.8	Very low	133 Å²	133	134.7 Å²	134.7	82%	0.816	82%	0.817	S	S	*	*			trans	-77.9	101.5	155.6	48.6	0	0	0	0	106.5	R31 A35	R31-T33 PolarHBondContact O-N 2.89Å; T33-A35 PolarHBondContact O-N 3.41Å; T33-A35 VanDerWaalsContact O-N 3.15Å
34	S	36.1	Very low	38.3	Very low	109 Å²	109	134 Å²	134	76%	0.762	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-53.1	116.7	167.1	49.1	0	0	0	0	108.7	T32	T32-S34 PolarHBondContact O-N 3.19Å
35	A	40.3	Very low	39.2	Very low	85 Å²	85	131.1 Å²	131.1	70%	0.702	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-55.5	137.1	161.8	0	0	0	0	0	107.8	T33 A37	T33-A35 PolarHBondContact O-N 3.41Å; T33-A35 VanDerWaalsContact O-N 3.15Å; A35-A37 PolarHBondContact O-N 3.32Å
36	P	37.6	Very low	40.5	Very low	120 Å²	120	127 Å²	127	78%	0.779	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-61.1	126.1	174.6	26.8	-32.5	0	0	0	107.9	V38	P36-V38 PolarHBondContact O-N 3.11Å; P36-V38 VanDerWaalsContact O-N 3.11Å
37	A	39.5	Very low	42	Very low	98 Å²	98	127 Å²	127	81%	0.81	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-55.6	117.8	173.4	0	0	0	0	0	108.4	A35 A39	A35-A37 PolarHBondContact O-N 3.32Å; A37-A39 PolarHBondContact O-N 3.35Å; A37-A39 VanDerWaalsContact O-N 3.15Å
38	V	45.6	Very low	44.1	Very low	143 Å²	143	126.7 Å²	126.7	87%	0.867	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-63	116.1	168.2	178.4	0	0	0	0	106	P36	P36-V38 PolarHBondContact O-N 3.11Å; P36-V38 VanDerWaalsContact O-N 3.11Å
39	A	39	Very low	46.7	Very low	73 Å²	73	127.7 Å²	127.7	60%	0.603	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-55.7	142.2	176.9	0	0	0	0	0	109.8	A37 N41	A37-A39 PolarHBondContact O-N 3.35Å; A37-A39 VanDerWaalsContact O-N 3.15Å; A39-N41 PolarHBondContact O-N 3.28Å
40	P	42.2	Very low	49.5	Very low	126 Å²	126	118.9 Å²	118.9	82%	0.818	77%	0.768	S	S	*	*			trans	-62.2	114.3	174	25.1	-29.8	0	0	0	107.8	Q42	P40-Q42 PolarHBondContact O-N 3.47Å
41	N	45.8	Very low	52.6	Low	162 Å²	162	118.1 Å²	118.1	87%	0.866	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-65.6	127.3	-179	-153.3	12.2	0	0	0	108.4	A39 A43	A39-N41 PolarHBondContact O-N 3.28Å; N41-A43 PolarHBondContact O-N 3.33Å
42	Q	42.6	Very low	55.6	Low	180 Å²	180	109.5 Å²	109.5	84%	0.841	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-60.3	131	179.4	-65.4	179.8	3.4	0	0	109.5	P40	P40-Q42 PolarHBondContact O-N 3.47Å
43	A	47.7	Very low	58.6	Low	108 Å²	108	106.4 Å²	106.4	89%	0.893	71%	0.708	S	S	*	*	S	Bend	trans	-68.8	130.1	166.4	0	0	0	0	0	109.4	N41	N41-A43 PolarHBondContact O-N 3.33Å
44	G	47.1	Very low	61.5	Low	86 Å²	86	103.2 Å²	103.2	89%	0.887	69%	0.689	S	S	*	*			trans	136.8	62.6	161.7	0	0	0	0	0	116.5
45	G	48.6	Very low	64.4	Low	67 Å²	67	100.1 Å²	100.1	69%	0.691	66%	0.661	S	S	*	*			trans	168	107.4	164.6	0	0	0	0	0	110.5	V47	G45-V47 PolarHBondContact O-N 3.39Å
46	A	63.3	Low	67	Low	105 Å²	105	98.6 Å²	98.6	87%	0.868	65%	0.645	S	S	*	*			trans	-56.5	124	170.2	0	0	0	0	0	108.3	A48	A46-A48 PolarHBondContact O-N 3.27Å; A46-A48 VanDerWaalsContact O-N 3.14Å
47	V	67.3	Low	69.9	Low	107 Å²	107	100.5 Å²	100.5	65%	0.648	64%	0.643	S	S	*	*			trans	-59.7	120.4	173.4	-178.7	0	0	0	0	106.6	G45 F49 P50	G45-V47 PolarHBondContact O-N 3.39Å; V47-F49 PolarHBondContact O-N 3.44Å; V47-F49 VanDerWaalsContact O-N 3.12Å; V47-P50 WeakPolarHBondContact O-CD 3.49Å
48	A	82.5	Confident	72.6	Confident	79 Å²	79	100.3 Å²	100.3	65%	0.653	63%	0.626	S	S	*	*	S	Bend	trans	-60.4	-26.5	-171.6	0	0	0	0	0	113.5	A46	A46-A48 PolarHBondContact O-N 3.27Å; A46-A48 VanDerWaalsContact O-N 3.14Å
49	F	87.6	Confident	75	Confident	187 Å²	187	93.9 Å²	93.9	82%	0.82	59%	0.586	S	S	*	*	S	Bend	trans	-138.5	76.6	-179.9	-50.3	-71.5	0	0	0	109.6	V47	V47-F49 PolarHBondContact O-N 3.44Å; V47-F49 VanDerWaalsContact O-N 3.12Å
50	P	94.3	Very high	77.8	Confident	68 Å²	68	92 Å²	92	44%	0.442	57%	0.569	S	S	.	*			trans	-73.1	154.4	-177.8	32.5	-33.2	0	0	0	110.7	V47 T54	V47-P50 WeakPolarHBondContact O-CD 3.49Å; P50-T54 HydrophobicContact CB-CG2 3.9Å
51	P	96.1	Very high	80.5	Confident	85 Å²	85	92 Å²	92	55%	0.552	56%	0.559	S	S	*	*			trans	-54.1	151.1	169.3	-24.4	32.3	0	0	0	112.1	Q53 T54	P51-Q53 PolarHBondContact O-N 3.12Å; P51-Q53 VanDerWaalsContact O-N 3.12Å; P51-T54 WeakPolarHBondContact CD-OG1 3.31Å; P51-T54 WeakPolarHBondContact O-CB 3.45Å; P51-T54 PolarHBondContact O-N 2.96Å; P51-T54 PolarHBondContact O-OG1 3.34Å
52	L	96.2	Very high	83	Confident	53 Å²	53	85.9 Å²	85.9	28%	0.277	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.6	-178.3	-80.6	173.2	0	0	0	114.4	T54 L346 N350 R353	L52-T54 VanDerWaalsContact C-N 3.27Å; L52-L346 HydrophobicContact CB-CD2 3.83Å; L52-L346 HydrophobicContact CD1-CD2 3.94Å; L52-L346 HydrophobicContact CG-CD2 4.46Å; L52-N350 HydrophobicContact CD1-CB 3.91Å; L52-R353 HydrophobicContact CD2-CG 4.35Å
53	Q	95.6	Very high	85.6	Confident	60 Å²	60	79.3 Å²	79.3	28%	0.28	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	10	173.3	-47.2	82.7	-9.5	0	0	112.4	P51 Y55 E342 Y349	P51-Q53 PolarHBondContact O-N 3.12Å; P51-Q53 VanDerWaalsContact O-N 3.12Å; Q53-Y55 HydrophobicContact CB-CE2 4.4Å; Q53-Y55 VanDerWaalsContact O-CD2 3.23Å; Q53-Y55 WeakPolarHBondContact O-CD2 3.29Å; Q53-Y55 WeakPolarHBondContact O-CE2 3.32Å; Q53-E342 PolarHBondContact NE2-OE1 3.03Å; Q53-Y349 HydrophobicContact CG-CE2 4.47Å
54	T	96.7	Very high	88	Confident	66 Å²	66	77.4 Å²	77.4	41%	0.405	47%	0.468	S	S	.	.			trans	-82.2	116.9	168.2	-49.7	0	0	0	0	107.8	P50 P51 L52	P50-T54 HydrophobicContact CB-CG2 3.9Å; P51-T54 WeakPolarHBondContact CD-OG1 3.31Å; P51-T54 WeakPolarHBondContact O-CB 3.45Å; P51-T54 PolarHBondContact O-N 2.96Å; P51-T54 PolarHBondContact O-OG1 3.34Å; L52-T54 VanDerWaalsContact C-N 3.27Å
55	Y	96.5	Very high	90.5	Very high	45 Å²	45	75.9 Å²	75.9	18%	0.176	45%	0.447	C	S	.	.			trans	-105.5	151.4	-176.6	-50.2	-57.2	0	0	0	109.7	Q53 E59 S60 F117 L121 Y349	Q53-Y55 HydrophobicContact CB-CE2 4.4Å; Q53-Y55 VanDerWaalsContact O-CD2 3.23Å; Q53-Y55 WeakPolarHBondContact O-CD2 3.29Å; Q53-Y55 WeakPolarHBondContact O-CE2 3.32Å; Y55-E59 VanDerWaalsContact CA-OE2 3.28Å; Y55-E59 WeakPolarHBondContact CA-OE2 3.44Å; Y55-S60 WeakPolarHBondContact CB-OG 3.41Å; Y55-F117 AromaticContact CD1-CE1 3.64Å; Y55-F117 HydrophobicContact CD1-CE1 3.64Å; Y55-F117 HydrophobicContact CD1-CZ 4.25Å; Y55-F117 AromaticContact CE1-CE1 3.79Å; Y55-F117 HydrophobicContact CE1-CE1 3.79Å; Y55-F117 HydrophobicContact CE1-CZ 4.01Å; Y55-L121 HydrophobicContact CD1-CD1 4.23Å; Y55-L121 HydrophobicContact CD1-CD2 4.48Å; Y55-L121 HydrophobicContact CE1-CD1 4.47Å; Y55-L121 HydrophobicContact CE1-CD2 3.91Å; Y55-Y349 AromaticContact CE1-CE2 3.88Å; Y55-Y349 HydrophobicContact CE1-CE2 3.88Å; Y55-Y349 WeakPolarHBondContact OH-CE2 3.44Å; Y55-Y349 PolarHBondContact OH-OH 2.94Å
56	S	96.3	Very high	92.9	Very high	52 Å²	52	72.8 Å²	72.8	36%	0.364	42%	0.415	S	S	.	.			trans	-61.7	167.8	161.9	77.6	0	0	0	0	110.3	E58 E59 S60	S56-E58 VanDerWaalsContact C-N 3.33Å; S56-E59 PolarHBondContact N-OE2 3.12Å; S56-E59 PolarHBondContact O-N 3.19Å; S56-E59 WeakPolarHBondContact OG-CB 3.31Å; S56-E59 VanDerWaalsContact OG-CG 3.24Å; S56-E59 WeakPolarHBondContact OG-CG 3.47Å; S56-E59 PolarHBondContact OG-N 2.87Å; S56-S60 WeakPolarHBondContact O-CB 3.31Å; S56-S60 PolarHBondContact O-N 3.42Å; S56-S60 PolarHBondContact O-OG 3.32Å
57	E	96.6	Very high	94.6	Very high	160 Å²	160	72 Å²	72	75%	0.748	39%	0.39	S	S	*	.	H	α-helix	trans	-61.2	-44.6	174.4	-173.6	172.4	-172.8	0	0	111	S60 M61	E57-S60 PolarHBondContact O-N 2.8Å; E57-M61 HydrophobicContact CG-SD 4.1Å; E57-M61 WeakPolarHBondContact O-CB 3.34Å; E57-M61 VanDerWaalsContact O-CG 3.28Å; E57-M61 WeakPolarHBondContact O-CG 3.48Å; E57-M61 PolarHBondContact O-N 3.01Å
58	E	96.2	Very high	96.1	Very high	95 Å²	95	72.8 Å²	72.8	44%	0.444	38%	0.384	S	S	.	.	H	α-helix	trans	-59.4	-48.7	175.9	-174	-172	172.6	0	0	112	S56 S60 M61 M62 S114	S56-E58 VanDerWaalsContact C-N 3.33Å; E58-S60 VanDerWaalsContact C-N 3.3Å; E58-S60 PolarHBondContact O-N 3.25Å; E58-M61 PolarHBondContact O-N 3.35Å; E58-M62 WeakPolarHBondContact O-CB 3.1Å; E58-M62 PolarHBondContact O-N 3.29Å; E58-S114 WeakPolarHBondContact OE1-CA 3.49Å; E58-S114 VanDerWaalsContact OE1-CB 3.26Å; E58-S114 WeakPolarHBondContact OE1-CB 3.3Å; E58-S114 PolarHBondContact OE1-OG 3.43Å
59	E	97.9	Very high	96.8	Very high	8 Å²	8	69.5 Å²	69.5	4%	0.037	36%	0.355	C	S	.	.	H	α-helix	trans	-60.8	-40.6	178.1	-74.6	166.7	175	0	0	111.5	Y55 S56 R63 F117 L121 R353	Y55-E59 VanDerWaalsContact CA-OE2 3.28Å; Y55-E59 WeakPolarHBondContact CA-OE2 3.44Å; S56-E59 PolarHBondContact N-OE2 3.12Å; S56-E59 PolarHBondContact O-N 3.19Å; S56-E59 WeakPolarHBondContact OG-CB 3.31Å; S56-E59 VanDerWaalsContact OG-CG 3.24Å; S56-E59 WeakPolarHBondContact OG-CG 3.47Å; S56-E59 PolarHBondContact OG-N 2.87Å; E59-R63 VanDerWaalsContact O-CB 3.26Å; E59-R63 WeakPolarHBondContact O-CB 3.47Å; E59-R63 PolarHBondContact O-N 3.32Å; E59-F117 HydrophobicContact CG-CD1 4.1Å; E59-F117 WeakPolarHBondContact OE1-CD1 3.45Å; E59-L121 HydrophobicContact CB-CD1 3.79Å; E59-L121 HydrophobicContact CG-CD1 4.25Å; E59-R353 VanDerWaalsContact CD-NH2 3.28Å; E59-R353 IonicContact OE1-CZ 2.98Å; E59-R353 VanDerWaalsContact OE1-CZ 3.32Å; E59-R353 IonicContact OE1-NH1 3.13Å; E59-R353 PolarHBondContact OE1-NH1 3Å; E59-R353 IonicContact OE1-NH2 3.96Å; E59-R353 PolarHBondContact OE1-NH2 2.9Å; E59-R353 IonicContact OE2-CZ 2.74Å; E59-R353 IonicContact OE2-NH1 2.8Å; E59-R353 IonicContact OE2-NH2 3.71Å; E59-R353 PolarHBondContact OE2-NH2 3.14Å
60	S	97.9	Very high	97.3	Very high	34 Å²	34	60.6 Å²	60.6	24%	0.238	32%	0.316	C	S	.	.	H	α-helix	trans	-64.7	-47	176.5	-61.6	0	0	0	0	111.6	Y55 S56 E57 E58 R63 D64	Y55-S60 WeakPolarHBondContact CB-OG 3.41Å; S56-S60 WeakPolarHBondContact O-CB 3.31Å; S56-S60 PolarHBondContact O-N 3.42Å; S56-S60 PolarHBondContact O-OG 3.32Å; E57-S60 PolarHBondContact O-N 2.8Å; E58-S60 VanDerWaalsContact C-N 3.3Å; E58-S60 PolarHBondContact O-N 3.25Å; S60-R63 PolarHBondContact O-N 3.42Å; S60-D64 WeakPolarHBondContact O-CB 2.91Å; S60-D64 PolarHBondContact O-N 2.98Å
61	M	97.8	Very high	97.5	Very high	125 Å²	125	63.6 Å²	63.6	62%	0.616	32%	0.324	S	S	*	.	H	α-helix	trans	-61.9	-47.3	178.8	-74.5	176.9	61.9	0	0	111.3	E57 E58 D64 A65	E57-M61 HydrophobicContact CG-SD 4.1Å; E57-M61 WeakPolarHBondContact O-CB 3.34Å; E57-M61 VanDerWaalsContact O-CG 3.28Å; E57-M61 WeakPolarHBondContact O-CG 3.48Å; E57-M61 PolarHBondContact O-N 3.01Å; E58-M61 PolarHBondContact O-N 3.35Å; M61-D64 PolarHBondContact O-N 3.21Å; M61-A65 VanDerWaalsContact O-CB 3.26Å; M61-A65 WeakPolarHBondContact O-CB 3.4Å; M61-A65 PolarHBondContact O-N 2.75Å
62	M	97.5	Very high	97.6	Very high	33 Å²	33	65.1 Å²	65.1	16%	0.163	32%	0.324	C	S	.	.	H	α-helix	trans	-59.6	-51.2	177.8	-176.5	65.3	76.2	0	0	110.9	E58 D64 A65 V66 L100 V122	E58-M62 WeakPolarHBondContact O-CB 3.1Å; E58-M62 PolarHBondContact O-N 3.29Å; M62-D64 VanDerWaalsContact C-N 3.34Å; M62-D64 PolarHBondContact O-N 2.84Å; M62-A65 PolarHBondContact O-N 3.05Å; M62-V66 HydrophobicContact CG-CG2 4.46Å; M62-V66 VanDerWaalsContact O-CG2 3.27Å; M62-V66 WeakPolarHBondContact O-CG2 3.32Å; M62-V66 PolarHBondContact O-N 3.48Å; M62-V66 HydrophobicContact SD-CG2 4.26Å; M62-L100 HydrophobicContact SD-CD2 4.09Å; M62-V122 HydrophobicContact CG-CG2 3.74Å; M62-V122 HydrophobicContact SD-CG2 4.1Å
63	R	98.4	Very high	97.7	Very high	42 Å²	42	68 Å²	68	16%	0.158	33%	0.331	C	S	.	.	H	α-helix	trans	-55.7	-48.1	178.4	-177.4	-157.2	68.8	-156.2	-6.6	112	E59 S60 V66 R67 L121 E125	E59-R63 VanDerWaalsContact O-CB 3.26Å; E59-R63 WeakPolarHBondContact O-CB 3.47Å; E59-R63 PolarHBondContact O-N 3.32Å; S60-R63 PolarHBondContact O-N 3.42Å; R63-V66 PolarHBondContact O-N 3.33Å; R63-R67 WeakPolarHBondContact O-CB 3.25Å; R63-R67 PolarHBondContact O-N 3Å; R63-L121 HydrophobicContact CB-CB 4.49Å; R63-L121 HydrophobicContact CB-CD1 4.38Å; R63-E125 HydrophobicContact CG-CG 3.6Å; R63-E125 WeakPolarHBondContact CG-OE1 3.35Å
64	D	98.5	Very high	97.9	Very high	68 Å²	68	65.2 Å²	65.2	36%	0.364	32%	0.318	S	S	.	.	H	α-helix	trans	-72.1	-33.9	-176.4	-68.9	-22.3	0	0	0	112.2	S60 M61 M62 R67 K68	S60-D64 WeakPolarHBondContact O-CB 2.91Å; S60-D64 PolarHBondContact O-N 2.98Å; M61-D64 PolarHBondContact O-N 3.21Å; M62-D64 VanDerWaalsContact C-N 3.34Å; M62-D64 PolarHBondContact O-N 2.84Å; D64-R67 IonicContact OD1-CZ 3.5Å; D64-R67 IonicContact OD1-NH1 3.56Å; D64-R67 PolarHBondContact OD1-NH1 3.48Å; D64-R67 IonicContact OD1-NH2 2.89Å; D64-K68 PolarHBondContact O-N 3.35Å; D64-K68 VanDerWaalsContact O-N 3.13Å
65	A	98.5	Very high	97.9	Very high	54 Å²	54	64 Å²	64	45%	0.446	31%	0.314	S	S	.	.	H	α-helix	trans	-63.2	-48.4	171.7	0	0	0	0	0	111.6	M61 M62 R67 K68 Y69	M61-A65 VanDerWaalsContact O-CB 3.26Å; M61-A65 WeakPolarHBondContact O-CB 3.4Å; M61-A65 PolarHBondContact O-N 2.75Å; M62-A65 PolarHBondContact O-N 3.05Å; A65-R67 PolarHBondContact O-N 2.8Å; A65-K68 PolarHBondContact O-N 3.14Å; A65-Y69 VanDerWaalsContact O-CB 3.31Å; A65-Y69 WeakPolarHBondContact O-CB 3.49Å; A65-Y69 PolarHBondContact O-N 3.23Å
66	V	98.8	Very high	98	Very high	3 Å²	3	66 Å²	66	2%	0.018	33%	0.333	C	S	.	.	H	α-helix	trans	-63.1	-41.9	177.9	176.6	0	0	0	0	111.3	M62 R63 K68 Y69 A70 L100 V122 E125 L126	M62-V66 HydrophobicContact CG-CG2 4.46Å; M62-V66 VanDerWaalsContact O-CG2 3.27Å; M62-V66 WeakPolarHBondContact O-CG2 3.32Å; M62-V66 PolarHBondContact O-N 3.48Å; M62-V66 HydrophobicContact SD-CG2 4.26Å; R63-V66 PolarHBondContact O-N 3.33Å; V66-K68 VanDerWaalsContact C-N 3.34Å; V66-K68 PolarHBondContact O-N 2.93Å; V66-Y69 PolarHBondContact O-N 3.16Å; V66-A70 VanDerWaalsContact O-CB 3.29Å; V66-A70 WeakPolarHBondContact O-CB 3.28Å; V66-A70 PolarHBondContact O-N 3.44Å; V66-L100 HydrophobicContact CG2-CD1 4.16Å; V66-L100 HydrophobicContact CG2-CD2 3.63Å; V66-V122 HydrophobicContact CG1-CG1 4.45Å; V66-V122 HydrophobicContact CG2-CB 4.39Å; V66-V122 HydrophobicContact CG2-CG1 4.26Å; V66-V122 HydrophobicContact CG2-CG2 3.92Å; V66-E125 HydrophobicContact CB-CB 4.2Å; V66-E125 HydrophobicContact CG1-CB 3.7Å; V66-L126 HydrophobicContact CG1-CD2 3.96Å; V66-L126 HydrophobicContact CG1-CG 3.86Å
67	R	98.8	Very high	98.1	Very high	89 Å²	89	66.2 Å²	66.2	34%	0.336	33%	0.328	S	S	.	.	H	α-helix	trans	-56.8	-48.6	176.2	-176.2	-177.6	-61.8	137.8	5.9	111.5	R63 D64 A65 Q71 E125	R63-R67 WeakPolarHBondContact O-CB 3.25Å; R63-R67 PolarHBondContact O-N 3Å; D64-R67 IonicContact OD1-CZ 3.5Å; D64-R67 IonicContact OD1-NH1 3.56Å; D64-R67 PolarHBondContact OD1-NH1 3.48Å; D64-R67 IonicContact OD1-NH2 2.89Å; A65-R67 PolarHBondContact O-N 2.8Å; R67-Q71 WeakPolarHBondContact O-CG 3.41Å; R67-Q71 PolarHBondContact O-N 3.03Å; R67-E125 WeakPolarHBondContact CB-OE2 3.36Å; R67-E125 WeakPolarHBondContact CG-OE2 3.49Å; R67-E125 IonicContact CZ-OE1 3.32Å; R67-E125 IonicContact CZ-OE2 2.79Å; R67-E125 IonicContact NE-OE1 3.06Å; R67-E125 IonicContact NE-OE2 3.66Å; R67-E125 PolarHBondContact NE-OE2 3.44Å; R67-E125 IonicContact NH2-OE1 2.72Å; R67-E125 PolarHBondContact NH2-OE1 2.98Å; R67-E125 IonicContact NH2-OE2 2.82Å
68	K	98.6	Very high	98.2	Very high	122 Å²	122	59.3 Å²	59.3	53%	0.53	30%	0.296	S	S	.	.	H	α-helix	trans	-64	-48.5	178.7	-176.8	-177.1	175.5	-172	0	110.9	D64 A65 V66 A70 Q71 E72	D64-K68 PolarHBondContact O-N 3.35Å; D64-K68 VanDerWaalsContact O-N 3.13Å; A65-K68 PolarHBondContact O-N 3.14Å; V66-K68 VanDerWaalsContact C-N 3.34Å; V66-K68 PolarHBondContact O-N 2.93Å; K68-A70 PolarHBondContact O-N 3.47Å; K68-Q71 PolarHBondContact O-N 3.5Å; K68-E72 VanDerWaalsContact CE-CD 3.4Å; K68-E72 WeakPolarHBondContact CE-OE1 3.46Å; K68-E72 VanDerWaalsContact CE-OE2 3.27Å; K68-E72 WeakPolarHBondContact CE-OE2 3.21Å; K68-E72 HydrophobicContact CG-CG 4.35Å; K68-E72 WeakPolarHBondContact CG-OE1 3.37Å; K68-E72 WeakPolarHBondContact O-CB 3.39Å; K68-E72 WeakPolarHBondContact O-CG 3.43Å; K68-E72 PolarHBondContact O-N 3.06Å
69	Y	98.6	Very high	98.4	Very high	11 Å²	11	59 Å²	59	4%	0.043	30%	0.302	C	S	.	.	H	α-helix	trans	-55.7	-48.1	177.2	162.9	-104.5	0	0	0	111.8	A65 V66 Q71 E72 R73 I74 S94 L95 Q98 L100 L126	A65-Y69 VanDerWaalsContact O-CB 3.31Å; A65-Y69 WeakPolarHBondContact O-CB 3.49Å; A65-Y69 PolarHBondContact O-N 3.23Å; V66-Y69 PolarHBondContact O-N 3.16Å; Y69-Q71 VanDerWaalsContact C-N 3.34Å; Y69-Q71 PolarHBondContact O-N 3.46Å; Y69-E72 PolarHBondContact O-N 2.95Å; Y69-R73 HydrophobicContact CD2-CB 3.66Å; Y69-R73 HydrophobicContact CD2-CG 3.61Å; Y69-R73 HydrophobicContact CE2-CB 3.53Å; Y69-R73 HydrophobicContact CE2-CG 3.85Å; Y69-R73 WeakPolarHBondContact O-CA 3.4Å; Y69-R73 VanDerWaalsContact O-CB 3.28Å; Y69-R73 WeakPolarHBondContact O-CB 3.36Å; Y69-R73 PolarHBondContact O-N 3.43Å; Y69-I74 HydrophobicContact CD1-CD1 4.15Å; Y69-I74 HydrophobicContact CE1-CD1 3.48Å; Y69-I74 VanDerWaalsContact CE1-CD1 3.48Å; Y69-I74 HydrophobicContact CE1-CG1 4.03Å; Y69-S94 PolarHBondContact OH-OG 2.71Å; Y69-L95 HydrophobicContact CE1-CD2 3.91Å; Y69-L95 PolarHBondContact OH-N 3.07Å; Y69-Q98 HydrophobicContact CD2-CG 3.67Å; Y69-Q98 HydrophobicContact CE2-CG 3.7Å; Y69-Q98 HydrophobicContact CG-CG 4.15Å; Y69-L100 HydrophobicContact CD1-CD1 3.85Å; Y69-L100 HydrophobicContact CE1-CD1 3.75Å; Y69-L126 HydrophobicContact CD1-CD2 4.31Å; Y69-L126 HydrophobicContact CE1-CD2 4.1Å
70	A	98.8	Very high	98.4	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.317	C	S	.	.	I	π-helix	trans	-61.7	-41.9	-179.4	0	0	0	0	0	111.7	V66 K68 I74 A75 L126 V129	V66-A70 VanDerWaalsContact O-CB 3.29Å; V66-A70 WeakPolarHBondContact O-CB 3.28Å; V66-A70 PolarHBondContact O-N 3.44Å; K68-A70 PolarHBondContact O-N 3.47Å; A70-I74 HydrophobicContact CB-CD1 4.24Å; A70-I74 WeakPolarHBondContact O-CA 3.34Å; A70-I74 WeakPolarHBondContact O-CB 3.49Å; A70-I74 PolarHBondContact O-N 3.14Å; A70-I74 VanDerWaalsContact O-N 3.14Å; A70-A75 PolarHBondContact O-N 3.16Å; A70-L126 HydrophobicContact CB-CD2 4.37Å; A70-V129 HydrophobicContact CB-CB 4.13Å; A70-V129 HydrophobicContact CB-CG2 3.68Å
71	Q	98.3	Very high	98.4	Very high	130 Å²	130	60.2 Å²	60.2	61%	0.607	31%	0.305	S	S	*	.	I	π-helix	trans	-67.8	-40.8	176.5	-70.7	-169	1.5	0	0	113.3	R67 K68 Y69 A75	R67-Q71 WeakPolarHBondContact O-CG 3.41Å; R67-Q71 PolarHBondContact O-N 3.03Å; K68-Q71 PolarHBondContact O-N 3.5Å; Y69-Q71 VanDerWaalsContact C-N 3.34Å; Y69-Q71 PolarHBondContact O-N 3.46Å; Q71-A75 WeakPolarHBondContact O-CB 2.99Å
72	E	98.1	Very high	98.5	Very high	117 Å²	117	54.9 Å²	54.9	55%	0.547	28%	0.279	S	S	.	.	I	π-helix	trans	-86	-31.4	-173	-68.9	179.4	178.4	0	0	113.3	K68 Y69	K68-E72 VanDerWaalsContact CE-CD 3.4Å; K68-E72 WeakPolarHBondContact CE-OE1 3.46Å; K68-E72 VanDerWaalsContact CE-OE2 3.27Å; K68-E72 WeakPolarHBondContact CE-OE2 3.21Å; K68-E72 HydrophobicContact CG-CG 4.35Å; K68-E72 WeakPolarHBondContact CG-OE1 3.37Å; K68-E72 WeakPolarHBondContact O-CB 3.39Å; K68-E72 WeakPolarHBondContact O-CG 3.43Å; K68-E72 PolarHBondContact O-N 3.06Å; Y69-E72 PolarHBondContact O-N 2.95Å
73	R	97.8	Very high	98.5	Very high	115 Å²	115	60.1 Å²	60.1	43%	0.434	30%	0.303	S	S	.	.	I	π-helix	trans	-115.4	-27.7	-169.2	-56.7	-61.1	-64.3	-171	-0.9	114	Y69 F77 E90	Y69-R73 HydrophobicContact CD2-CB 3.66Å; Y69-R73 HydrophobicContact CD2-CG 3.61Å; Y69-R73 HydrophobicContact CE2-CB 3.53Å; Y69-R73 HydrophobicContact CE2-CG 3.85Å; Y69-R73 WeakPolarHBondContact O-CA 3.4Å; Y69-R73 VanDerWaalsContact O-CB 3.28Å; Y69-R73 WeakPolarHBondContact O-CB 3.36Å; Y69-R73 PolarHBondContact O-N 3.43Å; R73-F77 VanDerWaalsContact O-CD2 3.22Å; R73-F77 WeakPolarHBondContact O-CD2 3.21Å; R73-F77 WeakPolarHBondContact O-CE2 3.22Å; R73-E90 IonicContact NH2-OE1 3.71Å; R73-E90 PolarHBondContact NH2-OE1 2.64Å
74	I	98.7	Very high	98.5	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.321	C	S	.	.	I	π-helix	trans	-99.4	-49.8	-179.7	-62.5	170.6	0	0	0	111.1	Y69 A70 P76 F77 V78 V91 L126 V129 D130 V133	Y69-I74 HydrophobicContact CD1-CD1 4.15Å; Y69-I74 HydrophobicContact CE1-CD1 3.48Å; Y69-I74 VanDerWaalsContact CE1-CD1 3.48Å; Y69-I74 HydrophobicContact CE1-CG1 4.03Å; A70-I74 HydrophobicContact CB-CD1 4.24Å; A70-I74 WeakPolarHBondContact O-CA 3.34Å; A70-I74 WeakPolarHBondContact O-CB 3.49Å; A70-I74 PolarHBondContact O-N 3.14Å; A70-I74 VanDerWaalsContact O-N 3.14Å; I74-P76 VanDerWaalsContact C-N 3.28Å; I74-P76 VanDerWaalsContact O-N 3.07Å; I74-F77 PolarHBondContact O-N 3.04Å; I74-V78 HydrophobicContact CG2-CG2 4.06Å; I74-V78 PolarHBondContact O-N 3.48Å; I74-V91 HydrophobicContact CG1-CG1 4.35Å; I74-L126 HydrophobicContact CD1-CD2 3.4Å; I74-V129 HydrophobicContact CB-CG1 4.32Å; I74-V129 HydrophobicContact CG2-CG1 4.05Å; I74-D130 HydrophobicContact CG2-CB 4.04Å; I74-V133 HydrophobicContact CD1-CG1 3.74Å; I74-V133 HydrophobicContact CG2-CG2 3.93Å
75	A	98.6	Very high	98.5	Very high	40 Å²	40	60.6 Å²	60.6	33%	0.331	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-39.2	-173.5	0	0	0	0	0	114.6	A70 Q71 F77 V78 V129	A70-A75 PolarHBondContact O-N 3.16Å; Q71-A75 WeakPolarHBondContact O-CB 2.99Å; A75-F77 PolarHBondContact O-N 3.02Å; A75-V78 PolarHBondContact O-N 3.44Å; A75-V129 HydrophobicContact CB-CG1 3.67Å
76	P	98.3	Very high	98.5	Very high	89 Å²	89	60 Å²	60	58%	0.578	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-25.5	177.4	-24.6	36.4	0	0	0	115	I74	I74-P76 VanDerWaalsContact C-N 3.28Å; I74-P76 VanDerWaalsContact O-N 3.07Å
77	F	98.6	Very high	98.5	Very high	55 Å²	55	60.4 Å²	60.4	24%	0.241	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-20.8	-176.2	-67.8	-93.7	0	0	0	113.2	R73 I74 A75 M80 M81 D88 E90 V91	R73-F77 VanDerWaalsContact O-CD2 3.22Å; R73-F77 WeakPolarHBondContact O-CD2 3.21Å; R73-F77 WeakPolarHBondContact O-CE2 3.22Å; I74-F77 PolarHBondContact O-N 3.04Å; A75-F77 PolarHBondContact O-N 3.02Å; F77-M80 HydrophobicContact CD1-CE 4.03Å; F77-M80 PolarHBondContact O-N 3.17Å; F77-M80 VanDerWaalsContact O-N 3.14Å; F77-M81 HydrophobicContact CB-CE 3.92Å; F77-M81 HydrophobicContact CB-CG 4.18Å; F77-M81 HydrophobicContact CB-SD 4.16Å; F77-M81 WeakPolarHBondContact O-CG 3.37Å; F77-M81 PolarHBondContact O-N 3.14Å; F77-D88 HydrophobicContact CD1-CB 3.91Å; F77-D88 WeakPolarHBondContact CD1-OD2 3.29Å; F77-D88 HydrophobicContact CE1-CB 4.43Å; F77-D88 WeakPolarHBondContact CE1-OD2 3.35Å; F77-E90 HydrophobicContact CZ-CB 4.41Å; F77-E90 HydrophobicContact CZ-CG 4.2Å; F77-V91 HydrophobicContact CB-CG2 4.11Å; F77-V91 HydrophobicContact CD2-CG2 4.15Å; F77-V91 HydrophobicContact CG-CG2 4.04Å
78	V	98.8	Very high	98.5	Very high	15 Å²	15	58 Å²	58	9%	0.091	30%	0.302	C	S	.	.	H	α-helix	trans	-51.9	-47.7	-171.1	178.4	0	0	0	0	114	I74 A75 M80 M81 D82 V129 D130 K400	I74-V78 HydrophobicContact CG2-CG2 4.06Å; I74-V78 PolarHBondContact O-N 3.48Å; A75-V78 PolarHBondContact O-N 3.44Å; V78-M80 PolarHBondContact O-N 3.13Å; V78-M81 HydrophobicContact CG2-CE 4.44Å; V78-M81 PolarHBondContact O-N 3.47Å; V78-D82 WeakPolarHBondContact O-CB 2.95Å; V78-D82 PolarHBondContact O-N 3.07Å; V78-V129 HydrophobicContact CG2-CG1 4.12Å; V78-D130 HydrophobicContact CG1-CB 4.49Å; V78-D130 HydrophobicContact CG2-CB 3.81Å; V78-K400 HydrophobicContact CG1-CD 3.75Å
79	P	98.4	Very high	98.5	Very high	88 Å²	88	59.7 Å²	59.7	57%	0.571	31%	0.311	S	S	*	.	H	α-helix	trans	-61.8	-44.1	-178.8	-22.9	35	0	0	0	112.4	D82 E83	P79-D82 PolarHBondContact O-N 3.33Å; P79-E83 WeakPolarHBondContact O-CB 3.14Å; P79-E83 PolarHBondContact O-N 3.14Å
80	M	98.4	Very high	98.4	Very high	69 Å²	69	61.2 Å²	61.2	34%	0.34	32%	0.319	S	S	.	.	H	α-helix	trans	-68.4	-42.8	-178.4	179.9	-81.2	-67.7	0	0	111.4	F77 V78 D82 E83 N84 D88	F77-M80 HydrophobicContact CD1-CE 4.03Å; F77-M80 PolarHBondContact O-N 3.17Å; F77-M80 VanDerWaalsContact O-N 3.14Å; V78-M80 PolarHBondContact O-N 3.13Å; M80-D82 PolarHBondContact O-N 3.08Å; M80-E83 PolarHBondContact O-N 3.07Å; M80-N84 WeakPolarHBondContact CG-ND2 3.24Å; M80-N84 VanDerWaalsContact O-CB 3.32Å; M80-N84 WeakPolarHBondContact O-CB 3.45Å; M80-N84 PolarHBondContact O-N 2.72Å; M80-N84 PolarHBondContact O-ND2 3.47Å; M80-N84 PolarHBondContact SD-ND2 3.33Å; M80-D88 HydrophobicContact CE-CB 4.25Å; M80-D88 WeakPolarHBondContact CE-OD2 3.48Å
81	M	98.8	Very high	98.4	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-63.7	-39.2	178.2	-69.5	-167.2	-59.4	0	0	112.5	F77 V78 S85 A86 M87 D88 V91 D130 V133 A255	F77-M81 HydrophobicContact CB-CE 3.92Å; F77-M81 HydrophobicContact CB-CG 4.18Å; F77-M81 HydrophobicContact CB-SD 4.16Å; F77-M81 WeakPolarHBondContact O-CG 3.37Å; F77-M81 PolarHBondContact O-N 3.14Å; V78-M81 HydrophobicContact CG2-CE 4.44Å; V78-M81 PolarHBondContact O-N 3.47Å; M81-S85 WeakPolarHBondContact O-CA 3.28Å; M81-S85 PolarHBondContact O-N 3.17Å; M81-A86 VanDerWaalsContact CA-O 3.25Å; M81-A86 WeakPolarHBondContact CA-O 3.5Å; M81-A86 VanDerWaalsContact CB-O 3.27Å; M81-A86 WeakPolarHBondContact CB-O 3.27Å; M81-A86 WeakPolarHBondContact CG-O 3.46Å; M81-A86 PolarHBondContact O-N 3.31Å; M81-A86 VanDerWaalsContact O-N 3.11Å; M81-M87 HydrophobicContact CE-SD 4.32Å; M81-M87 HydrophobicContact SD-SD 3.58Å; M81-D88 HydrophobicContact CG-CB 4.12Å; M81-D88 HydrophobicContact SD-CB 3.92Å; M81-D88 PolarHBondContact SD-N 3.49Å; M81-D88 VanDerWaalsContact SD-N 3.39Å; M81-V91 HydrophobicContact CE-CG2 4.3Å; M81-V91 HydrophobicContact SD-CB 4.4Å; M81-V91 HydrophobicContact SD-CG2 4Å; M81-D130 WeakPolarHBondContact CE-OD2 3.23Å; M81-V133 HydrophobicContact CE-CG2 4.1Å; M81-A255 HydrophobicContact CB-CB 3.81Å
82	D	98.8	Very high	98.5	Very high	12 Å²	12	56 Å²	56	6%	0.064	30%	0.295	C	S	.	.	H	α-helix	trans	-68.5	-46.7	176	179.4	77.1	0	0	0	112.3	V78 P79 M80 S85 R254 K400 R403	V78-D82 WeakPolarHBondContact O-CB 2.95Å; V78-D82 PolarHBondContact O-N 3.07Å; P79-D82 PolarHBondContact O-N 3.33Å; M80-D82 PolarHBondContact O-N 3.08Å; D82-S85 PolarHBondContact O-N 2.92Å; D82-R254 PolarHBondContact O-NE 2.88Å; D82-R254 WeakPolarHBondContact OD1-CD 3.43Å; D82-K400 HydrophobicContact CB-CD 3.86Å; D82-R403 VanDerWaalsContact CG-NH2 3.28Å; D82-R403 IonicContact OD1-CZ 3.47Å; D82-R403 IonicContact OD1-NH1 2.98Å; D82-R403 PolarHBondContact OD1-NH1 3.33Å; D82-R403 IonicContact OD1-NH2 3.78Å; D82-R403 PolarHBondContact OD1-NH2 3.02Å; D82-R403 IonicContact OD2-CZ 2.64Å; D82-R403 IonicContact OD2-NH1 3.92Å; D82-R403 IonicContact OD2-NH2 2.62Å; D82-R403 PolarHBondContact OD2-NH2 3.25Å
83	E	98.6	Very high	98.5	Very high	143 Å²	143	56.2 Å²	56.2	67%	0.668	29%	0.291	S	S	*	.	H	α-helix	trans	-59.6	-53.6	-179.9	-177.2	173.5	-174.4	0	0	110.7	P79 M80 S85 R254	P79-E83 WeakPolarHBondContact O-CB 3.14Å; P79-E83 PolarHBondContact O-N 3.14Å; M80-E83 PolarHBondContact O-N 3.07Å; E83-S85 PolarHBondContact O-N 3.01Å; E83-R254 PolarHBondContact O-NH2 3.13Å
84	N	98.5	Very high	98.5	Very high	98 Å²	98	51 Å²	51	52%	0.524	27%	0.271	S	S	.	.	H	α-helix	trans	-75.9	-9.8	-177.2	-67.7	-30	0	0	0	113.6	M80 A86	M80-N84 WeakPolarHBondContact CG-ND2 3.24Å; M80-N84 VanDerWaalsContact O-CB 3.32Å; M80-N84 WeakPolarHBondContact O-CB 3.45Å; M80-N84 PolarHBondContact O-N 2.72Å; M80-N84 PolarHBondContact O-ND2 3.47Å; M80-N84 PolarHBondContact SD-ND2 3.33Å; N84-A86 VanDerWaalsContact C-N 3.29Å; N84-A86 HydrophobicContact CB-CB 4.43Å; N84-A86 PolarHBondContact O-N 2.91Å
85	S	98.6	Very high	98.5	Very high	23 Å²	23	51 Å²	51	16%	0.161	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	50.3	-171.3	-52.3	0	0	0	0	111.5	M81 D82 E83 K247 R254	M81-S85 WeakPolarHBondContact O-CA 3.28Å; M81-S85 PolarHBondContact O-N 3.17Å; D82-S85 PolarHBondContact O-N 2.92Å; E83-S85 PolarHBondContact O-N 3.01Å; S85-K247 WeakPolarHBondContact O-CE 3.39Å; S85-K247 PolarHBondContact O-NZ 3.09Å; S85-R254 CarbonylContact C-O 3.36Å; S85-R254 VanDerWaalsContact CA-O 3.29Å; S85-R254 WeakPolarHBondContact CA-O 3.46Å; S85-R254 WeakPolarHBondContact CB-O 3.46Å; S85-R254 PolarHBondContact OG-NE 3.24Å; S85-R254 PolarHBondContact OG-NH2 2.85Å
86	A	98.5	Very high	98.5	Very high	40 Å²	40	50 Å²	50	33%	0.331	26%	0.26	S	S	.	.			trans	-146.1	132.6	-178.7	0	0	0	0	0	109.6	M81 N84	M81-A86 VanDerWaalsContact CA-O 3.25Å; M81-A86 WeakPolarHBondContact CA-O 3.5Å; M81-A86 VanDerWaalsContact CB-O 3.27Å; M81-A86 WeakPolarHBondContact CB-O 3.27Å; M81-A86 WeakPolarHBondContact CG-O 3.46Å; M81-A86 PolarHBondContact O-N 3.31Å; M81-A86 VanDerWaalsContact O-N 3.11Å; N84-A86 VanDerWaalsContact C-N 3.29Å; N84-A86 HydrophobicContact CB-CB 4.43Å; N84-A86 PolarHBondContact O-N 2.91Å
87	M	98.6	Very high	98.5	Very high	12 Å²	12	51 Å²	51	6%	0.059	26%	0.257	C	S	.	.			trans	-73.8	132.9	170.6	-169.6	66.3	71.9	0	0	108.5	M81 V91 I92 S132 V133 L136 A255	M81-M87 HydrophobicContact CE-SD 4.32Å; M81-M87 HydrophobicContact SD-SD 3.58Å; M87-V91 HydrophobicContact SD-CB 4.41Å; M87-V91 HydrophobicContact SD-CG1 3.97Å; M87-I92 HydrophobicContact CB-CD1 4.1Å; M87-I92 HydrophobicContact CG-CD1 3.75Å; M87-I92 HydrophobicContact CG-CG1 3.64Å; M87-S132 WeakPolarHBondContact CE-O 3.43Å; M87-V133 HydrophobicContact CE-CG2 3.92Å; M87-V133 HydrophobicContact SD-CG2 3.74Å; M87-L136 HydrophobicContact CE-CD2 4.27Å; M87-L136 HydrophobicContact CG-CD2 4.5Å; M87-A255 HydrophobicContact CE-CB 4.18Å; M87-A255 PolarHBondContact N-O 2.92Å; M87-A255 HydrophobicContact SD-CB 4.46Å
88	D	98.5	Very high	98.5	Very high	40 Å²	40	53.3 Å²	53.3	21%	0.214	27%	0.268	C	S	.	.			trans	-71.9	135.6	175.9	-164.8	-67.4	0	0	0	110.2	F77 M80 M81 E90 V91 I92	F77-D88 HydrophobicContact CD1-CB 3.91Å; F77-D88 WeakPolarHBondContact CD1-OD2 3.29Å; F77-D88 HydrophobicContact CE1-CB 4.43Å; F77-D88 WeakPolarHBondContact CE1-OD2 3.35Å; M80-D88 HydrophobicContact CE-CB 4.25Å; M80-D88 WeakPolarHBondContact CE-OD2 3.48Å; M81-D88 HydrophobicContact CG-CB 4.12Å; M81-D88 HydrophobicContact SD-CB 3.92Å; M81-D88 PolarHBondContact SD-N 3.49Å; M81-D88 VanDerWaalsContact SD-N 3.39Å; D88-E90 PolarHBondContact O-N 2.88Å; D88-E90 WeakPolarHBondContact OD1-CB 3.35Å; D88-E90 PolarHBondContact OD1-N 3.27Å; D88-V91 HydrophobicContact CB-CB 4.41Å; D88-V91 HydrophobicContact CB-CG2 4.06Å; D88-V91 WeakPolarHBondContact O-CB 3.44Å; D88-V91 PolarHBondContact O-N 2.97Å; D88-V91 VanDerWaalsContact O-N 3.09Å; D88-I92 PolarHBondContact O-N 3.14Å; D88-I92 VanDerWaalsContact O-N 3.16Å
89	E	97.8	Very high	98.4	Very high	157 Å²	157	53.5 Å²	53.5	73%	0.734	27%	0.273	S	S	*	.	H	α-helix	trans	-61.1	-32.5	179.4	-67.3	-177	174	0	0	112	V91 I92 R93	E89-V91 VanDerWaalsContact C-N 3.32Å; E89-V91 PolarHBondContact O-N 2.62Å; E89-I92 PolarHBondContact O-N 2.79Å; E89-R93 WeakPolarHBondContact O-CB 3.44Å; E89-R93 PolarHBondContact O-N 3.09Å
90	E	98.1	Very high	98.4	Very high	43 Å²	43	49.5 Å²	49.5	20%	0.201	25%	0.247	C	C	.	.	H	α-helix	trans	-65.9	-36.6	175.8	179.2	60	-170.7	0	0	111.7	R73 F77 D88 R93 S94	R73-E90 IonicContact NH2-OE1 3.71Å; R73-E90 PolarHBondContact NH2-OE1 2.64Å; F77-E90 HydrophobicContact CZ-CB 4.41Å; F77-E90 HydrophobicContact CZ-CG 4.2Å; D88-E90 PolarHBondContact O-N 2.88Å; D88-E90 WeakPolarHBondContact OD1-CB 3.35Å; D88-E90 PolarHBondContact OD1-N 3.27Å; E90-R93 IonicContact OE1-CZ 3.32Å; E90-R93 IonicContact OE1-NH2 2.8Å; E90-R93 PolarHBondContact OE1-NH2 3.1Å; E90-R93 IonicContact OE2-CZ 3.4Å; E90-R93 IonicContact OE2-NE 2.7Å; E90-R93 PolarHBondContact OE2-NE 3.15Å; E90-R93 IonicContact OE2-NH2 3.64Å; E90-R93 PolarHBondContact OE2-NH2 2.89Å; E90-S94 VanDerWaalsContact O-CB 3.24Å; E90-S94 WeakPolarHBondContact O-CB 3.47Å; E90-S94 PolarHBondContact O-N 2.89Å; E90-S94 PolarHBondContact O-OG 2.7Å
91	V	98.6	Very high	98.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.6	-48.5	175.6	173.3	0	0	0	0	109.3	I74 F77 M81 M87 D88 E89 R93 S94 L95 V133	I74-V91 HydrophobicContact CG1-CG1 4.35Å; F77-V91 HydrophobicContact CB-CG2 4.11Å; F77-V91 HydrophobicContact CD2-CG2 4.15Å; F77-V91 HydrophobicContact CG-CG2 4.04Å; M81-V91 HydrophobicContact CE-CG2 4.3Å; M81-V91 HydrophobicContact SD-CB 4.4Å; M81-V91 HydrophobicContact SD-CG2 4Å; M87-V91 HydrophobicContact SD-CB 4.41Å; M87-V91 HydrophobicContact SD-CG1 3.97Å; D88-V91 HydrophobicContact CB-CB 4.41Å; D88-V91 HydrophobicContact CB-CG2 4.06Å; D88-V91 WeakPolarHBondContact O-CB 3.44Å; D88-V91 PolarHBondContact O-N 2.97Å; D88-V91 VanDerWaalsContact O-N 3.09Å; E89-V91 VanDerWaalsContact C-N 3.32Å; E89-V91 PolarHBondContact O-N 2.62Å; V91-R93 PolarHBondContact O-N 2.98Å; V91-S94 PolarHBondContact O-N 2.94Å; V91-S94 PolarHBondContact O-OG 2.92Å; V91-S94 VanDerWaalsContact O-OG 3.05Å; V91-L95 HydrophobicContact CG1-CD1 4.4Å; V91-L95 VanDerWaalsContact O-CG 3.31Å; V91-L95 WeakPolarHBondContact O-CG 3.36Å; V91-L95 PolarHBondContact O-N 2.91Å; V91-V133 HydrophobicContact CG1-CG1 4.18Å; V91-V133 HydrophobicContact CG1-CG2 3.81Å
92	I	98.6	Very high	98.4	Very high	20 Å²	20	46.3 Å²	46.3	10%	0.103	23%	0.232	C	C	.	.	H	α-helix	trans	-57.2	-53.5	176.5	-69.8	162.1	0	0	0	111.1	M87 D88 E89 S94 L95 F96 L136 I169	M87-I92 HydrophobicContact CB-CD1 4.1Å; M87-I92 HydrophobicContact CG-CD1 3.75Å; M87-I92 HydrophobicContact CG-CG1 3.64Å; D88-I92 PolarHBondContact O-N 3.14Å; D88-I92 VanDerWaalsContact O-N 3.16Å; E89-I92 PolarHBondContact O-N 2.79Å; I92-S94 VanDerWaalsContact C-N 3.31Å; I92-S94 PolarHBondContact O-N 3.32Å; I92-L95 WeakPolarHBondContact O-CB 3.27Å; I92-L95 PolarHBondContact O-N 3.27Å; I92-F96 HydrophobicContact CG2-CD2 4.2Å; I92-F96 HydrophobicContact CG2-CE2 3.94Å; I92-F96 WeakPolarHBondContact O-CD2 3.48Å; I92-F96 PolarHBondContact O-N 3.38Å; I92-L136 HydrophobicContact CG1-CD2 3.93Å; I92-I169 HydrophobicContact CD1-CD1 4.27Å; I92-I169 HydrophobicContact CG1-CD1 4.31Å; I92-I169 HydrophobicContact CG2-CD1 3.65Å
93	R	98.5	Very high	98.4	Very high	122 Å²	122	45.7 Å²	45.7	46%	0.46	23%	0.228	S	C	.	.	H	α-helix	trans	-56.2	-46.8	-179.3	-176.7	178.8	72	99.2	-4.3	111.4	E89 E90 V91 L95 F96 E97	E89-R93 WeakPolarHBondContact O-CB 3.44Å; E89-R93 PolarHBondContact O-N 3.09Å; E90-R93 IonicContact OE1-CZ 3.32Å; E90-R93 IonicContact OE1-NH2 2.8Å; E90-R93 PolarHBondContact OE1-NH2 3.1Å; E90-R93 IonicContact OE2-CZ 3.4Å; E90-R93 IonicContact OE2-NE 2.7Å; E90-R93 PolarHBondContact OE2-NE 3.15Å; E90-R93 IonicContact OE2-NH2 3.64Å; E90-R93 PolarHBondContact OE2-NH2 2.89Å; V91-R93 PolarHBondContact O-N 2.98Å; R93-L95 VanDerWaalsContact C-N 3.33Å; R93-L95 PolarHBondContact O-N 2.95Å; R93-F96 PolarHBondContact O-N 3.19Å; R93-E97 IonicContact CZ-OE1 2.75Å; R93-E97 IonicContact NE-OE1 3.2Å; R93-E97 IonicContact NH1-OE1 3.14Å; R93-E97 PolarHBondContact NH1-OE1 3.18Å; R93-E97 IonicContact NH1-OE2 3.58Å; R93-E97 WeakPolarHBondContact O-CG 3.3Å; R93-E97 PolarHBondContact O-N 3.27Å
94	S	98.3	Very high	98.3	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.028	21%	0.207	C	C	.	.	H	α-helix	trans	-68.5	-28.3	-178.3	66.9	0	0	0	0	113.4	Y69 E90 V91 I92 F96 E97 Q98	Y69-S94 PolarHBondContact OH-OG 2.71Å; E90-S94 VanDerWaalsContact O-CB 3.24Å; E90-S94 WeakPolarHBondContact O-CB 3.47Å; E90-S94 PolarHBondContact O-N 2.89Å; E90-S94 PolarHBondContact O-OG 2.7Å; V91-S94 PolarHBondContact O-N 2.94Å; V91-S94 PolarHBondContact O-OG 2.92Å; V91-S94 VanDerWaalsContact O-OG 3.05Å; I92-S94 VanDerWaalsContact C-N 3.31Å; I92-S94 PolarHBondContact O-N 3.32Å; S94-F96 VanDerWaalsContact C-N 3.33Å; S94-F96 PolarHBondContact O-N 3.11Å; S94-E97 PolarHBondContact O-N 3.46Å; S94-Q98 WeakPolarHBondContact O-CB 3.41Å; S94-Q98 VanDerWaalsContact O-CG 3.26Å; S94-Q98 WeakPolarHBondContact O-CG 3.27Å; S94-Q98 PolarHBondContact O-N 3.18Å
95	L	98.8	Very high	98.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.1	-41.5	172.8	-69.8	165.2	0	0	0	111.7	Y69 V91 I92 R93 G99 L100 M101 L126 V133 L136	Y69-L95 HydrophobicContact CE1-CD2 3.91Å; Y69-L95 PolarHBondContact OH-N 3.07Å; V91-L95 HydrophobicContact CG1-CD1 4.4Å; V91-L95 VanDerWaalsContact O-CG 3.31Å; V91-L95 WeakPolarHBondContact O-CG 3.36Å; V91-L95 PolarHBondContact O-N 2.91Å; I92-L95 WeakPolarHBondContact O-CB 3.27Å; I92-L95 PolarHBondContact O-N 3.27Å; R93-L95 VanDerWaalsContact C-N 3.33Å; R93-L95 PolarHBondContact O-N 2.95Å; L95-G99 PolarHBondContact O-N 2.89Å; L95-L100 HydrophobicContact CD2-CB 4.42Å; L95-L100 HydrophobicContact CD2-CD1 4.08Å; L95-L100 PolarHBondContact O-N 2.72Å; L95-M101 HydrophobicContact CB-CG 3.8Å; L95-M101 HydrophobicContact CB-SD 3.97Å; L95-M101 HydrophobicContact CD1-SD 4.2Å; L95-L126 HydrophobicContact CD2-CD1 4.32Å; L95-L126 HydrophobicContact CD2-CD2 4.3Å; L95-V133 HydrophobicContact CD1-CG1 3.87Å; L95-V133 HydrophobicContact CD2-CG1 3.95Å; L95-V133 HydrophobicContact CG-CG1 4.41Å; L95-L136 HydrophobicContact CD1-CD2 3.76Å
96	F	98.7	Very high	98.3	Very high	19 Å²	19	39.3 Å²	39.3	8%	0.083	20%	0.195	C	C	.	.	H	α-helix	trans	-66.6	-45.5	174.2	-75.1	-75.5	0	0	0	111.7	I92 R93 S94 Q98 G99 M101 L164 T166 I169	I92-F96 HydrophobicContact CG2-CD2 4.2Å; I92-F96 HydrophobicContact CG2-CE2 3.94Å; I92-F96 WeakPolarHBondContact O-CD2 3.48Å; I92-F96 PolarHBondContact O-N 3.38Å; R93-F96 PolarHBondContact O-N 3.19Å; S94-F96 VanDerWaalsContact C-N 3.33Å; S94-F96 PolarHBondContact O-N 3.11Å; F96-Q98 PolarHBondContact O-N 3.28Å; F96-G99 PolarHBondContact O-N 3.01Å; F96-M101 HydrophobicContact CD1-CB 3.45Å; F96-M101 VanDerWaalsContact CD1-CB 3.45Å; F96-M101 HydrophobicContact CD1-CG 3.71Å; F96-M101 HydrophobicContact CD2-CG 4.09Å; F96-M101 HydrophobicContact CE1-CB 3.41Å; F96-M101 VanDerWaalsContact CE1-CB 3.41Å; F96-M101 HydrophobicContact CE1-CG 3.77Å; F96-M101 HydrophobicContact CE2-CE 4.32Å; F96-M101 HydrophobicContact CE2-CG 4.13Å; F96-M101 HydrophobicContact CG-CB 4.13Å; F96-M101 HydrophobicContact CG-CG 3.88Å; F96-M101 HydrophobicContact CZ-CB 4.04Å; F96-M101 HydrophobicContact CZ-CE 4.04Å; F96-M101 HydrophobicContact CZ-CG 3.97Å; F96-L164 WeakPolarHBondContact CE1-O 3.41Å; F96-T166 VanDerWaalsContact CB-O 3.26Å; F96-T166 WeakPolarHBondContact CB-O 3.5Å; F96-T166 WeakPolarHBondContact CD1-O 3.36Å; F96-T166 VanDerWaalsContact CG-O 3.23Å; F96-T166 WeakPolarHBondContact CG-O 3.42Å; F96-I169 HydrophobicContact CE2-CG1 3.96Å; F96-I169 HydrophobicContact CZ-CG1 3.93Å
97	E	98	Very high	98.2	Very high	112 Å²	112	41.3 Å²	41.3	52%	0.523	21%	0.205	S	C	.	.	H	α-helix	trans	-60.8	-30.1	178	-70.1	174.8	175.9	0	0	113.3	R93 S94 G99	R93-E97 IonicContact CZ-OE1 2.75Å; R93-E97 IonicContact NE-OE1 3.2Å; R93-E97 IonicContact NH1-OE1 3.14Å; R93-E97 PolarHBondContact NH1-OE1 3.18Å; R93-E97 IonicContact NH1-OE2 3.58Å; R93-E97 WeakPolarHBondContact O-CG 3.3Å; R93-E97 PolarHBondContact O-N 3.27Å; S94-E97 PolarHBondContact O-N 3.46Å; E97-G99 VanDerWaalsContact C-N 3.3Å
98	Q	98.1	Very high	98.2	Very high	103 Å²	103	47.2 Å²	47.2	48%	0.481	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-1.8	174.6	-65.9	-54.7	-74.1	0	0	113.5	Y69 S94 F96 L100	Y69-Q98 HydrophobicContact CD2-CG 3.67Å; Y69-Q98 HydrophobicContact CE2-CG 3.7Å; Y69-Q98 HydrophobicContact CG-CG 4.15Å; S94-Q98 WeakPolarHBondContact O-CB 3.41Å; S94-Q98 VanDerWaalsContact O-CG 3.26Å; S94-Q98 WeakPolarHBondContact O-CG 3.27Å; S94-Q98 PolarHBondContact O-N 3.18Å; F96-Q98 PolarHBondContact O-N 3.28Å; Q98-L100 VanDerWaalsContact C-N 3.26Å; Q98-L100 HydrophobicContact CB-CD1 4.03Å; Q98-L100 HydrophobicContact CB-CG 3.78Å; Q98-L100 PolarHBondContact O-N 3.19Å
99	G	98	Very high	98.1	Very high	19 Å²	19	46.9 Å²	46.9	20%	0.196	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	10.9	-178	0	0	0	0	0	114.6	L95 F96 E97 M101 G102 T112	L95-G99 PolarHBondContact O-N 2.89Å; F96-G99 PolarHBondContact O-N 3.01Å; E97-G99 VanDerWaalsContact C-N 3.3Å; G99-M101 VanDerWaalsContact C-N 3.27Å; G99-M101 PolarHBondContact O-N 3.48Å; G99-G102 PolarHBondContact O-N 3.32Å; G99-T112 WeakPolarHBondContact O-CG2 3.28Å
100	L	98.6	Very high	98.1	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-11.8	-173.1	-55.7	-178.6	0	0	0	113.2	M62 V66 Y69 L95 Q98 V122 L126 C137 N141	M62-L100 HydrophobicContact SD-CD2 4.09Å; V66-L100 HydrophobicContact CG2-CD1 4.16Å; V66-L100 HydrophobicContact CG2-CD2 3.63Å; Y69-L100 HydrophobicContact CD1-CD1 3.85Å; Y69-L100 HydrophobicContact CE1-CD1 3.75Å; L95-L100 HydrophobicContact CD2-CB 4.42Å; L95-L100 HydrophobicContact CD2-CD1 4.08Å; L95-L100 PolarHBondContact O-N 2.72Å; Q98-L100 VanDerWaalsContact C-N 3.26Å; Q98-L100 HydrophobicContact CB-CD1 4.03Å; Q98-L100 HydrophobicContact CB-CG 3.78Å; Q98-L100 PolarHBondContact O-N 3.19Å; L100-V122 HydrophobicContact CB-CG1 4.27Å; L100-V122 HydrophobicContact CD1-CG1 4.45Å; L100-V122 HydrophobicContact CD2-CG1 3.98Å; L100-V122 HydrophobicContact CD2-CG2 4.15Å; L100-V122 HydrophobicContact CG-CG1 4.45Å; L100-L126 HydrophobicContact CD1-CD2 4.49Å; L100-C137 PolarHBondContact O-SG 3.17Å; L100-N141 PolarHBondContact O-ND2 2.91Å
101	M	98.7	Very high	98	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-0.7	178.8	-60.7	-59.5	-79.1	0	0	113.3	L95 F96 G99 L136 C137 Q140 N145 I169	L95-M101 HydrophobicContact CB-CG 3.8Å; L95-M101 HydrophobicContact CB-SD 3.97Å; L95-M101 HydrophobicContact CD1-SD 4.2Å; F96-M101 HydrophobicContact CD1-CB 3.45Å; F96-M101 VanDerWaalsContact CD1-CB 3.45Å; F96-M101 HydrophobicContact CD1-CG 3.71Å; F96-M101 HydrophobicContact CD2-CG 4.09Å; F96-M101 HydrophobicContact CE1-CB 3.41Å; F96-M101 VanDerWaalsContact CE1-CB 3.41Å; F96-M101 HydrophobicContact CE1-CG 3.77Å; F96-M101 HydrophobicContact CE2-CE 4.32Å; F96-M101 HydrophobicContact CE2-CG 4.13Å; F96-M101 HydrophobicContact CG-CB 4.13Å; F96-M101 HydrophobicContact CG-CG 3.88Å; F96-M101 HydrophobicContact CZ-CB 4.04Å; F96-M101 HydrophobicContact CZ-CE 4.04Å; F96-M101 HydrophobicContact CZ-CG 3.97Å; G99-M101 VanDerWaalsContact C-N 3.27Å; G99-M101 PolarHBondContact O-N 3.48Å; M101-L136 HydrophobicContact CE-CD1 4.14Å; M101-L136 HydrophobicContact CE-CG 4.02Å; M101-C137 HydrophobicContact SD-CB 4.48Å; M101-Q140 HydrophobicContact CB-CG 4.19Å; M101-Q140 HydrophobicContact CE-CB 3.72Å; M101-Q140 HydrophobicContact CE-CG 3.7Å; M101-Q140 VanDerWaalsContact O-CG 3.23Å; M101-Q140 WeakPolarHBondContact O-CG 3.38Å; M101-Q140 HydrophobicContact SD-CB 4.4Å; M101-Q140 HydrophobicContact SD-CG 4.44Å; M101-N145 PolarHBondContact O-ND2 3.36Å; M101-I169 HydrophobicContact CE-CG1 4.2Å
102	G	98.3	Very high	97.9	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.01	23%	0.23	C	C	.	.			trans	-146.2	45.5	-176.7	0	0	0	0	0	112.9	G99 I105 G111 T112	G99-G102 PolarHBondContact O-N 3.32Å; G102-I105 PolarHBondContact O-N 3.33Å; G102-G111 VanDerWaalsContact O-CA 3.23Å; G102-G111 WeakPolarHBondContact O-CA 3.47Å; G102-T112 PolarHBondContact O-N 3.48Å
103	V	98.2	Very high	97.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-63.8	-49.3	-170.2	-179.4	0	0	0	0	112	T112 G113 S114 S119 V122 N141	V103-T112 WeakPolarHBondContact CA-OG1 3.44Å; V103-T112 PolarHBondContact O-OG1 2.62Å; V103-G113 PolarHBondContact O-N 3.28Å; V103-S114 PolarHBondContact O-N 3.28Å; V103-S119 WeakPolarHBondContact CG1-OG 3.38Å; V103-V122 HydrophobicContact CG2-CG2 4.39Å; V103-N141 PolarHBondContact N-OD1 3.11Å
104	E	97.4	Very high	97.8	Very high	48 Å²	48	38.5 Å²	38.5	22%	0.224	23%	0.227	C	C	.	.	S	Bend	trans	-89.2	-3.1	178.9	-75.8	164.9	-90	0	0	113.2	F116 S119 K355	E104-F116 WeakPolarHBondContact OE1-CD2 3.3Å; E104-F116 WeakPolarHBondContact OE2-CB 3.49Å; E104-F116 WeakPolarHBondContact OE2-CD2 3.38Å; E104-S119 PolarHBondContact OE1-OG 3.46Å; E104-K355 IonicContact OE2-NZ 3.58Å; E104-K355 PolarHBondContact OE2-NZ 3.18Å
105	I	98.4	Very high	97.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-69.6	136.9	178.6	-66.6	-178.5	0	0	0	108.5	G102 G111 T112 G113 N145 L161 L164	G102-I105 PolarHBondContact O-N 3.33Å; I105-G111 CarbonylContact O-C 3.56Å; I105-G111 VanDerWaalsContact O-CA 3.27Å; I105-G111 WeakPolarHBondContact O-CA 3.3Å; I105-T112 PolarHBondContact O-N 3.4Å; I105-G113 WeakPolarHBondContact O-CA 3.41Å; I105-G113 PolarHBondContact O-N 3.11Å; I105-N145 HydrophobicContact CD1-CB 4.07Å; I105-N145 HydrophobicContact CG1-CB 3.99Å; I105-L161 HydrophobicContact CD1-CD2 4.02Å; I105-L161 HydrophobicContact CG1-CD2 4.23Å; I105-L161 HydrophobicContact CG2-CB 4.3Å; I105-L164 HydrophobicContact CD1-CB 4.25Å
106	D	97.6	Very high	97.7	Very high	81 Å²	81	40.1 Å²	40.1	43%	0.433	24%	0.238	S	C	.	.			trans	-60.1	140	177.4	-167.6	-72	0	0	0	111	E108 Y109 G111	D106-E108 HydrophobicContact CB-CG 4.08Å; D106-E108 PolarHBondContact O-N 2.85Å; D106-E108 VanDerWaalsContact O-N 3.07Å; D106-E108 WeakPolarHBondContact OD1-CB 3.41Å; D106-E108 WeakPolarHBondContact OD1-CG 3.44Å; D106-E108 PolarHBondContact OD1-N 3.27Å; D106-Y109 HydrophobicContact CB-CD2 4.14Å; D106-Y109 HydrophobicContact CB-CE2 4.48Å; D106-Y109 PolarHBondContact O-N 3.21Å; D106-G111 PolarHBondContact O-N 3.2Å
107	P	97.4	Very high	97.7	Very high	82 Å²	82	39.2 Å²	39.2	53%	0.532	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-54.1	-24.5	175.7	-28.2	36.8	0	0	0	114.7	Y109 G110 G111	P107-Y109 PolarHBondContact O-N 2.74Å; P107-G110 PolarHBondContact O-N 3.37Å; P107-G111 WeakPolarHBondContact CA-O 3.39Å
108	E	97.1	Very high	97.7	Very high	136 Å²	136	33.9 Å²	33.9	64%	0.636	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-60	-29	173.5	79.8	179.6	155.7	0	0	112.9	D106	D106-E108 HydrophobicContact CB-CG 4.08Å; D106-E108 PolarHBondContact O-N 2.85Å; D106-E108 VanDerWaalsContact O-N 3.07Å; D106-E108 WeakPolarHBondContact OD1-CB 3.41Å; D106-E108 WeakPolarHBondContact OD1-CG 3.44Å; D106-E108 PolarHBondContact OD1-N 3.27Å
109	Y	97.8	Very high	97.7	Very high	33 Å²	33	29 Å²	29	13%	0.129	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-104.1	21.5	173.7	-49.4	-72.3	0	0	0	112.2	D106 P107 G111 K157 L161 S162 S165	D106-Y109 HydrophobicContact CB-CD2 4.14Å; D106-Y109 HydrophobicContact CB-CE2 4.48Å; D106-Y109 PolarHBondContact O-N 3.21Å; P107-Y109 PolarHBondContact O-N 2.74Å; Y109-G111 VanDerWaalsContact C-N 3.32Å; Y109-G111 PolarHBondContact O-N 3.28Å; Y109-K157 HydrophobicContact CE1-CB 4.22Å; Y109-L161 HydrophobicContact CD1-CB 4.2Å; Y109-L161 HydrophobicContact CD2-CB 4.17Å; Y109-L161 HydrophobicContact CD2-CD1 3.65Å; Y109-L161 HydrophobicContact CE2-CD1 3.92Å; Y109-L161 HydrophobicContact CG-CB 3.75Å; Y109-L161 HydrophobicContact CG-CD1 4.09Å; Y109-S162 WeakPolarHBondContact O-CA 3.44Å; Y109-S165 PolarHBondContact O-OG 3.36Å
110	G	96.2	Very high	97.8	Very high	50 Å²	50	28.1 Å²	28.1	52%	0.515	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	14.1	175.9	0	0	0	0	0	115.6	P107	P107-G110 PolarHBondContact O-N 3.37Å
111	G	97.3	Very high	97.8	Very high	14 Å²	14	28 Å²	28	14%	0.144	18%	0.176	C	C	.	.			trans	-80.6	178.9	170.7	0	0	0	0	0	113.4	G102 I105 D106 P107 Y109	G102-G111 VanDerWaalsContact O-CA 3.23Å; G102-G111 WeakPolarHBondContact O-CA 3.47Å; I105-G111 CarbonylContact O-C 3.56Å; I105-G111 VanDerWaalsContact O-CA 3.27Å; I105-G111 WeakPolarHBondContact O-CA 3.3Å; D106-G111 PolarHBondContact O-N 3.2Å; P107-G111 WeakPolarHBondContact CA-O 3.39Å; Y109-G111 VanDerWaalsContact C-N 3.32Å; Y109-G111 PolarHBondContact O-N 3.28Å
112	T	96.9	Very high	97.8	Very high	49 Å²	49	28 Å²	28	30%	0.301	18%	0.176	S	C	.	.			trans	-86.5	-17.9	178.5	72.2	0	0	0	0	113.2	G99 G102 V103 I105 S114	G99-T112 WeakPolarHBondContact O-CG2 3.28Å; G102-T112 PolarHBondContact O-N 3.48Å; V103-T112 WeakPolarHBondContact CA-OG1 3.44Å; V103-T112 PolarHBondContact O-OG1 2.62Å; I105-T112 PolarHBondContact O-N 3.4Å; T112-S114 PolarHBondContact O-N 3.12Å; T112-S114 WeakPolarHBondContact OG1-CB 3.26Å; T112-S114 PolarHBondContact OG1-OG 3.11Å
113	G	96.6	Very high	97.8	Very high	42 Å²	42	28 Å²	28	43%	0.433	18%	0.176	S	C	.	.			trans	67	19.6	-176.4	0	0	0	0	0	114.1	V103 I105	V103-G113 PolarHBondContact O-N 3.28Å; I105-G113 WeakPolarHBondContact O-CA 3.41Å; I105-G113 PolarHBondContact O-N 3.11Å
114	S	97.3	Very high	97.9	Very high	11 Å²	11	28 Å²	28	8%	0.077	18%	0.176	C	C	.	.			trans	-82.6	168.8	-176.8	-62.3	0	0	0	0	111.9	E58 V103 T112	E58-S114 WeakPolarHBondContact OE1-CA 3.49Å; E58-S114 VanDerWaalsContact OE1-CB 3.26Å; E58-S114 WeakPolarHBondContact OE1-CB 3.3Å; E58-S114 PolarHBondContact OE1-OG 3.43Å; V103-S114 PolarHBondContact O-N 3.28Å; T112-S114 PolarHBondContact O-N 3.12Å; T112-S114 WeakPolarHBondContact OG1-CB 3.26Å; T112-S114 PolarHBondContact OG1-OG 3.11Å
115	S	97.3	Very high	97.9	Very high	32 Å²	32	26 Å²	26	22%	0.224	17%	0.167	C	C	.	.			trans	-73.1	159.5	-175.1	74.9	0	0	0	0	113.5	F117 S118 S119 E356	S115-F117 PolarHBondContact O-N 3.49Å; S115-S118 WeakPolarHBondContact O-CA 3.29Å; S115-S118 VanDerWaalsContact O-CB 3.23Å; S115-S118 WeakPolarHBondContact O-CB 3.31Å; S115-S118 PolarHBondContact O-N 3.29Å; S115-S118 PolarHBondContact OG-N 3.28Å; S115-S118 PolarHBondContact OG-OG 2.86Å; S115-S119 PolarHBondContact O-N 3.2Å; S115-E356 WeakPolarHBondContact CB-OE1 3.14Å; S115-E356 PolarHBondContact OG-OE1 2.74Å
116	F	97.9	Very high	98	Very high	6 Å²	6	26 Å²	26	3%	0.026	17%	0.167	C	C	.	.	H	α-helix	trans	-58.5	-38.3	171.1	176.9	-111.9	0	0	0	111.4	E104 S118 S119 I120 T142 E290 I293 A352 K355 E356	E104-F116 WeakPolarHBondContact OE1-CD2 3.3Å; E104-F116 WeakPolarHBondContact OE2-CB 3.49Å; E104-F116 WeakPolarHBondContact OE2-CD2 3.38Å; F116-S118 PolarHBondContact O-N 2.84Å; F116-S119 WeakPolarHBondContact O-CA 3.36Å; F116-S119 VanDerWaalsContact O-CB 3.28Å; F116-S119 WeakPolarHBondContact O-CB 3.46Å; F116-S119 PolarHBondContact O-N 3.39Å; F116-I120 HydrophobicContact CD1-CG1 4.1Å; F116-I120 HydrophobicContact CE1-CD1 4Å; F116-I120 HydrophobicContact CE1-CG1 3.77Å; F116-I120 HydrophobicContact CE2-CD1 4.17Å; F116-I120 HydrophobicContact CE2-CG1 4.49Å; F116-I120 HydrophobicContact CZ-CD1 3.73Å; F116-I120 HydrophobicContact CZ-CG1 4.02Å; F116-I120 WeakPolarHBondContact O-CG1 3.5Å; F116-I120 PolarHBondContact O-N 2.8Å; F116-T142 HydrophobicContact CE2-CG2 4.12Å; F116-E290 HydrophobicContact CE2-CB 4.45Å; F116-E290 HydrophobicContact CZ-CB 4.43Å; F116-I293 HydrophobicContact CE1-CB 4.27Å; F116-I293 HydrophobicContact CE1-CD1 3.78Å; F116-I293 HydrophobicContact CE1-CG2 4.11Å; F116-I293 HydrophobicContact CZ-CB 4.07Å; F116-I293 HydrophobicContact CZ-CD1 4.02Å; F116-I293 HydrophobicContact CZ-CG2 4.32Å; F116-A352 HydrophobicContact CD1-CB 3.99Å; F116-A352 HydrophobicContact CE1-CB 3.93Å; F116-K355 HydrophobicContact CB-CD 4.02Å; F116-K355 HydrophobicContact CD1-CB 4.38Å; F116-K355 HydrophobicContact CD1-CD 3.24Å; F116-K355 HydrophobicContact CD1-CG 4.4Å; F116-K355 HydrophobicContact CD2-CD 3.87Å; F116-K355 HydrophobicContact CE1-CB 4.42Å; F116-K355 HydrophobicContact CE1-CD 3.46Å; F116-K355 VanDerWaalsContact CE1-CD 3.46Å; F116-K355 HydrophobicContact CE2-CD 4.03Å; F116-K355 VanDerWaalsContact CE2-NZ 3.32Å; F116-K355 HydrophobicContact CG-CD 3.42Å; F116-K355 VanDerWaalsContact CG-CD 3.42Å; F116-K355 HydrophobicContact CZ-CD 3.82Å; F116-E356 HydrophobicContact CB-CG 4.11Å; F116-E356 PolarHBondContact N-OE1 3.4Å
117	F	98.5	Very high	98	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.6	-34.2	175.4	-166.7	-93.8	0	0	0	111.6	Y55 E59 S115 I120 L121 Y349 A352 R353 E356	Y55-F117 AromaticContact CD1-CE1 3.64Å; Y55-F117 HydrophobicContact CD1-CE1 3.64Å; Y55-F117 HydrophobicContact CD1-CZ 4.25Å; Y55-F117 AromaticContact CE1-CE1 3.79Å; Y55-F117 HydrophobicContact CE1-CE1 3.79Å; Y55-F117 HydrophobicContact CE1-CZ 4.01Å; E59-F117 HydrophobicContact CG-CD1 4.1Å; E59-F117 WeakPolarHBondContact OE1-CD1 3.45Å; S115-F117 PolarHBondContact O-N 3.49Å; F117-I120 WeakPolarHBondContact O-CB 3.32Å; F117-I120 PolarHBondContact O-N 2.97Å; F117-L121 HydrophobicContact CD1-CD1 3.83Å; F117-L121 HydrophobicContact CD1-CG 4.01Å; F117-L121 HydrophobicContact CE1-CD1 3.72Å; F117-L121 HydrophobicContact CE1-CD2 3.94Å; F117-L121 HydrophobicContact CE1-CG 3.81Å; F117-L121 HydrophobicContact CZ-CD2 4.39Å; F117-L121 WeakPolarHBondContact O-CG 3.47Å; F117-L121 PolarHBondContact O-N 3.45Å; F117-Y349 AromaticContact CE2-CD1 4Å; F117-Y349 HydrophobicContact CE2-CD1 4Å; F117-Y349 HydrophobicContact CE2-CD2 4.3Å; F117-Y349 AromaticContact CE2-CG 3.75Å; F117-Y349 HydrophobicContact CE2-CG 3.75Å; F117-Y349 HydrophobicContact CZ-CD1 4.03Å; F117-Y349 AromaticContact CZ-CD2 3.83Å; F117-Y349 HydrophobicContact CZ-CD2 3.83Å; F117-Y349 HydrophobicContact CZ-CE1 4.39Å; F117-Y349 HydrophobicContact CZ-CE2 4.2Å; F117-Y349 AromaticContact CZ-CG 3.73Å; F117-Y349 HydrophobicContact CZ-CG 3.73Å; F117-A352 HydrophobicContact CD2-CB 3.69Å; F117-A352 HydrophobicContact CE2-CB 4.28Å; F117-R353 HydrophobicContact CD2-CG 4.09Å; F117-R353 HydrophobicContact CE2-CG 4.13Å; F117-E356 VanDerWaalsContact CB-OE1 3.22Å; F117-E356 WeakPolarHBondContact CB-OE1 3.32Å; F117-E356 PolarHBondContact N-OE1 2.85Å
118	S	98.6	Very high	98.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.8	-42.3	172	-56.9	0	0	0	0	111.7	S115 F116 I120 L121 V122	S115-S118 WeakPolarHBondContact O-CA 3.29Å; S115-S118 VanDerWaalsContact O-CB 3.23Å; S115-S118 WeakPolarHBondContact O-CB 3.31Å; S115-S118 PolarHBondContact O-N 3.29Å; S115-S118 PolarHBondContact OG-N 3.28Å; S115-S118 PolarHBondContact OG-OG 2.86Å; F116-S118 PolarHBondContact O-N 2.84Å; S118-I120 VanDerWaalsContact C-N 3.29Å; S118-I120 PolarHBondContact O-N 3.47Å; S118-L121 PolarHBondContact O-N 2.78Å; S118-V122 WeakPolarHBondContact O-CG2 3.47Å; S118-V122 PolarHBondContact O-N 2.96Å
119	S	98.6	Very high	98.2	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.007	10%	0.103	C	C	.	.	H	α-helix	trans	-56.1	-44.3	172	-55.4	0	0	0	0	111.4	V103 E104 S115 F116 L121 V122 I123	V103-S119 WeakPolarHBondContact CG1-OG 3.38Å; E104-S119 PolarHBondContact OE1-OG 3.46Å; S115-S119 PolarHBondContact O-N 3.2Å; F116-S119 WeakPolarHBondContact O-CA 3.36Å; F116-S119 VanDerWaalsContact O-CB 3.28Å; F116-S119 WeakPolarHBondContact O-CB 3.46Å; F116-S119 PolarHBondContact O-N 3.39Å; S119-L121 PolarHBondContact O-N 2.88Å; S119-V122 WeakPolarHBondContact O-CB 3.35Å; S119-V122 PolarHBondContact O-N 2.79Å; S119-I123 WeakPolarHBondContact O-CD1 3.29Å; S119-I123 WeakPolarHBondContact O-CG1 3.26Å; S119-I123 PolarHBondContact O-N 3.34Å
120	I	98.8	Very high	98.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.7	-42.6	177.7	-64.7	-47.8	0	0	0	111.8	F116 F117 S118 I123 E124 I293 A297 T348 Y349 A352	F116-I120 HydrophobicContact CD1-CG1 4.1Å; F116-I120 HydrophobicContact CE1-CD1 4Å; F116-I120 HydrophobicContact CE1-CG1 3.77Å; F116-I120 HydrophobicContact CE2-CD1 4.17Å; F116-I120 HydrophobicContact CE2-CG1 4.49Å; F116-I120 HydrophobicContact CZ-CD1 3.73Å; F116-I120 HydrophobicContact CZ-CG1 4.02Å; F116-I120 WeakPolarHBondContact O-CG1 3.5Å; F116-I120 PolarHBondContact O-N 2.8Å; F117-I120 WeakPolarHBondContact O-CB 3.32Å; F117-I120 PolarHBondContact O-N 2.97Å; S118-I120 VanDerWaalsContact C-N 3.29Å; S118-I120 PolarHBondContact O-N 3.47Å; I120-I123 HydrophobicContact CD1-CD1 4.43Å; I120-I123 PolarHBondContact O-N 3.24Å; I120-E124 PolarHBondContact O-N 3.49Å; I120-I293 HydrophobicContact CD1-CB 4.16Å; I120-I293 HydrophobicContact CD1-CG2 3.69Å; I120-I293 HydrophobicContact CG1-CG2 3.98Å; I120-A297 HydrophobicContact CG2-CB 3.78Å; I120-T348 HydrophobicContact CG2-CG2 4.03Å; I120-Y349 HydrophobicContact CG2-CD1 4.34Å; I120-Y349 HydrophobicContact CG2-CE1 4.42Å; I120-A352 HydrophobicContact CG1-CB 3.98Å
121	L	98.9	Very high	98.4	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-64.8	-41.1	175.7	-68.4	175.7	0	0	0	112.3	Y55 E59 R63 F117 S118 S119 E124 E125 Y349	Y55-L121 HydrophobicContact CD1-CD1 4.23Å; Y55-L121 HydrophobicContact CD1-CD2 4.48Å; Y55-L121 HydrophobicContact CE1-CD1 4.47Å; Y55-L121 HydrophobicContact CE1-CD2 3.91Å; E59-L121 HydrophobicContact CB-CD1 3.79Å; E59-L121 HydrophobicContact CG-CD1 4.25Å; R63-L121 HydrophobicContact CB-CB 4.49Å; R63-L121 HydrophobicContact CB-CD1 4.38Å; F117-L121 HydrophobicContact CD1-CD1 3.83Å; F117-L121 HydrophobicContact CD1-CG 4.01Å; F117-L121 HydrophobicContact CE1-CD1 3.72Å; F117-L121 HydrophobicContact CE1-CD2 3.94Å; F117-L121 HydrophobicContact CE1-CG 3.81Å; F117-L121 HydrophobicContact CZ-CD2 4.39Å; F117-L121 WeakPolarHBondContact O-CG 3.47Å; F117-L121 PolarHBondContact O-N 3.45Å; S118-L121 PolarHBondContact O-N 2.78Å; S119-L121 PolarHBondContact O-N 2.88Å; L121-E124 PolarHBondContact O-N 2.9Å; L121-E125 WeakPolarHBondContact O-CG 3.47Å; L121-E125 PolarHBondContact O-N 3.14Å; L121-Y349 HydrophobicContact CD2-CE1 4.17Å; L121-Y349 WeakPolarHBondContact CD2-OH 3.46Å
122	V	98.9	Very high	98.5	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-58.4	-49.8	175.6	171.1	0	0	0	0	109.8	M62 V66 L100 V103 S118 S119 E124 E125 L126	M62-V122 HydrophobicContact CG-CG2 3.74Å; M62-V122 HydrophobicContact SD-CG2 4.1Å; V66-V122 HydrophobicContact CG1-CG1 4.45Å; V66-V122 HydrophobicContact CG2-CB 4.39Å; V66-V122 HydrophobicContact CG2-CG1 4.26Å; V66-V122 HydrophobicContact CG2-CG2 3.92Å; L100-V122 HydrophobicContact CB-CG1 4.27Å; L100-V122 HydrophobicContact CD1-CG1 4.45Å; L100-V122 HydrophobicContact CD2-CG1 3.98Å; L100-V122 HydrophobicContact CD2-CG2 4.15Å; L100-V122 HydrophobicContact CG-CG1 4.45Å; V103-V122 HydrophobicContact CG2-CG2 4.39Å; S118-V122 WeakPolarHBondContact O-CG2 3.47Å; S118-V122 PolarHBondContact O-N 2.96Å; S119-V122 WeakPolarHBondContact O-CB 3.35Å; S119-V122 PolarHBondContact O-N 2.79Å; V122-E124 PolarHBondContact O-N 3.45Å; V122-E125 PolarHBondContact O-N 3.05Å; V122-L126 HydrophobicContact CG1-CD1 3.78Å; V122-L126 HydrophobicContact CG1-CG 4.34Å; V122-L126 WeakPolarHBondContact O-CB 3.34Å; V122-L126 VanDerWaalsContact O-CG 3.26Å; V122-L126 WeakPolarHBondContact O-CG 3.13Å; V122-L126 PolarHBondContact O-N 3.36Å
123	I	98.9	Very high	98.6	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-62.2	-44.4	-179.6	-64.6	159.1	0	0	0	111	S119 I120 A127 A134 D138 T142 G294 A297 Q298	S119-I123 WeakPolarHBondContact O-CD1 3.29Å; S119-I123 WeakPolarHBondContact O-CG1 3.26Å; S119-I123 PolarHBondContact O-N 3.34Å; I120-I123 HydrophobicContact CD1-CD1 4.43Å; I120-I123 PolarHBondContact O-N 3.24Å; I123-A127 VanDerWaalsContact O-CB 3.29Å; I123-A127 WeakPolarHBondContact O-CB 3.21Å; I123-A127 PolarHBondContact O-N 3.16Å; I123-A134 HydrophobicContact CG2-CB 4.37Å; I123-D138 HydrophobicContact CD1-CB 3.79Å; I123-D138 WeakPolarHBondContact CD1-OD1 3.36Å; I123-D138 HydrophobicContact CG1-CB 4.06Å; I123-D138 HydrophobicContact CG2-CB 4.33Å; I123-T142 HydrophobicContact CD1-CG2 4.06Å; I123-G294 WeakPolarHBondContact CG2-O 3.47Å; I123-A297 HydrophobicContact CB-CB 4.22Å; I123-A297 HydrophobicContact CG2-CB 4.04Å; I123-Q298 HydrophobicContact CG2-CB 3.88Å
124	E	98.9	Very high	98.7	Very high	2 Å²	2	5.4 Å²	5.4	1%	0.009	3%	0.031	C	C	.	.	H	α-helix	trans	-60.4	-48.4	176.8	-179.2	177	155.1	0	0	111.5	I120 L121 V122 A127 K128 A297 V300 G301 R345 Y349	I120-E124 PolarHBondContact O-N 3.49Å; L121-E124 PolarHBondContact O-N 2.9Å; V122-E124 PolarHBondContact O-N 3.45Å; E124-A127 PolarHBondContact O-N 2.87Å; E124-K128 WeakPolarHBondContact O-CG 3.31Å; E124-K128 PolarHBondContact O-N 3.05Å; E124-K128 VanDerWaalsContact O-N 3.16Å; E124-K128 IonicContact OE1-NZ 2.71Å; E124-K128 PolarHBondContact OE1-NZ 3.49Å; E124-A297 HydrophobicContact CB-CB 4.34Å; E124-V300 HydrophobicContact CG-CG1 4.23Å; E124-G301 VanDerWaalsContact O-CA 3.3Å; E124-G301 WeakPolarHBondContact O-CA 3.41Å; E124-R345 IonicContact OE1-CZ 2.76Å; E124-R345 IonicContact OE1-NE 2.74Å; E124-R345 PolarHBondContact OE1-NE 3.21Å; E124-R345 IonicContact OE1-NH2 3.89Å; E124-R345 PolarHBondContact OE1-NH2 3.39Å; E124-R345 IonicContact OE2-NE 3.77Å; E124-Y349 VanDerWaalsContact OE2-CE1 3.3Å; E124-Y349 WeakPolarHBondContact OE2-CE1 3.26Å; E124-Y349 PolarHBondContact OE2-OH 3.08Å
125	E	98.9	Very high	98.7	Very high	5 Å²	5	5 Å²	5	2%	0.023	3%	0.028	C	C	.	.	H	α-helix	trans	-69.3	-35	-177.6	-67.2	-67.5	156.2	0	0	112.7	R63 V66 R67 L121 V122 K128	R63-E125 HydrophobicContact CG-CG 3.6Å; R63-E125 WeakPolarHBondContact CG-OE1 3.35Å; V66-E125 HydrophobicContact CB-CB 4.2Å; V66-E125 HydrophobicContact CG1-CB 3.7Å; R67-E125 WeakPolarHBondContact CB-OE2 3.36Å; R67-E125 WeakPolarHBondContact CG-OE2 3.49Å; R67-E125 IonicContact CZ-OE1 3.32Å; R67-E125 IonicContact CZ-OE2 2.79Å; R67-E125 IonicContact NE-OE1 3.06Å; R67-E125 IonicContact NE-OE2 3.66Å; R67-E125 PolarHBondContact NE-OE2 3.44Å; R67-E125 IonicContact NH2-OE1 2.72Å; R67-E125 PolarHBondContact NH2-OE1 2.98Å; R67-E125 IonicContact NH2-OE2 2.82Å; L121-E125 WeakPolarHBondContact O-CG 3.47Å; L121-E125 PolarHBondContact O-N 3.14Å; V122-E125 PolarHBondContact O-N 3.05Å; E125-K128 VanDerWaalsContact CD-NZ 3.28Å; E125-K128 IonicContact OE1-NZ 3.18Å; E125-K128 PolarHBondContact OE1-NZ 2.88Å; E125-K128 IonicContact OE2-NZ 3.46Å; E125-K128 PolarHBondContact OE2-NZ 3.21Å
126	L	98.9	Very high	98.8	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-64.4	-42.9	171.8	-70.3	173	0	0	0	111.2	V66 Y69 A70 I74 L95 L100 V122 K128 V129 D130 V133 A134 C137	V66-L126 HydrophobicContact CG1-CD2 3.96Å; V66-L126 HydrophobicContact CG1-CG 3.86Å; Y69-L126 HydrophobicContact CD1-CD2 4.31Å; Y69-L126 HydrophobicContact CE1-CD2 4.1Å; A70-L126 HydrophobicContact CB-CD2 4.37Å; I74-L126 HydrophobicContact CD1-CD2 3.4Å; L95-L126 HydrophobicContact CD2-CD1 4.32Å; L95-L126 HydrophobicContact CD2-CD2 4.3Å; L100-L126 HydrophobicContact CD1-CD2 4.49Å; V122-L126 HydrophobicContact CG1-CD1 3.78Å; V122-L126 HydrophobicContact CG1-CG 4.34Å; V122-L126 WeakPolarHBondContact O-CB 3.34Å; V122-L126 VanDerWaalsContact O-CG 3.26Å; V122-L126 WeakPolarHBondContact O-CG 3.13Å; V122-L126 PolarHBondContact O-N 3.36Å; L126-K128 VanDerWaalsContact C-N 3.25Å; L126-K128 PolarHBondContact O-N 3.37Å; L126-V129 PolarHBondContact O-N 3.01Å; L126-D130 PolarHBondContact O-N 3.32Å; L126-V133 HydrophobicContact CD2-CG1 4.31Å; L126-A134 HydrophobicContact CB-CB 3.92Å; L126-C137 HydrophobicContact CD1-CB 3.72Å
127	A	98.9	Very high	98.9	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-69.9	-21.2	-177	0	0	0	0	0	113.5	I123 E124 V129 A134 Q298 L302	I123-A127 VanDerWaalsContact O-CB 3.29Å; I123-A127 WeakPolarHBondContact O-CB 3.21Å; I123-A127 PolarHBondContact O-N 3.16Å; E124-A127 PolarHBondContact O-N 2.87Å; A127-V129 PolarHBondContact O-N 3.04Å; A127-A134 HydrophobicContact CB-CB 3.61Å; A127-Q298 HydrophobicContact CB-CB 4.28Å; A127-Q298 HydrophobicContact CB-CG 3.85Å; A127-Q298 VanDerWaalsContact CB-O 3.28Å; A127-Q298 WeakPolarHBondContact CB-O 3.22Å; A127-L302 VanDerWaalsContact O-CA 3.3Å; A127-L302 WeakPolarHBondContact O-CA 3.41Å; A127-L302 PolarHBondContact O-N 3.06Å
128	K	98.9	Very high	98.9	Very high	34 Å²	34	3.4 Å²	3.4	15%	0.148	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-15.5	168.5	-71.5	173.3	-165.9	175.2	0	113.5	E124 E125 L126 G301 Q304 G305 Y401	E124-K128 WeakPolarHBondContact O-CG 3.31Å; E124-K128 PolarHBondContact O-N 3.05Å; E124-K128 VanDerWaalsContact O-N 3.16Å; E124-K128 IonicContact OE1-NZ 2.71Å; E124-K128 PolarHBondContact OE1-NZ 3.49Å; E125-K128 VanDerWaalsContact CD-NZ 3.28Å; E125-K128 IonicContact OE1-NZ 3.18Å; E125-K128 PolarHBondContact OE1-NZ 2.88Å; E125-K128 IonicContact OE2-NZ 3.46Å; E125-K128 PolarHBondContact OE2-NZ 3.21Å; L126-K128 VanDerWaalsContact C-N 3.25Å; L126-K128 PolarHBondContact O-N 3.37Å; K128-G301 VanDerWaalsContact CA-O 3.29Å; K128-G301 WeakPolarHBondContact CA-O 3.15Å; K128-G301 VanDerWaalsContact CG-O 3.23Å; K128-G301 WeakPolarHBondContact CG-O 3.38Å; K128-Q304 HydrophobicContact CD-CG 4.36Å; K128-Q304 HydrophobicContact CG-CB 4.26Å; K128-G305 WeakPolarHBondContact O-CA 3.36Å; K128-Y401 PolarHBondContact O-OH 3.33Å
129	V	98.9	Very high	98.9	Very high	20 Å²	20	4 Å²	4	12%	0.121	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-53	179.3	179.3	0	0	0	0	111.2	A70 I74 A75 V78 L126 A127 Y401	A70-V129 HydrophobicContact CB-CB 4.13Å; A70-V129 HydrophobicContact CB-CG2 3.68Å; I74-V129 HydrophobicContact CB-CG1 4.32Å; I74-V129 HydrophobicContact CG2-CG1 4.05Å; A75-V129 HydrophobicContact CB-CG1 3.67Å; V78-V129 HydrophobicContact CG2-CG1 4.12Å; L126-V129 PolarHBondContact O-N 3.01Å; A127-V129 PolarHBondContact O-N 3.04Å; V129-Y401 PolarHBondContact O-OH 3.44Å
130	D	98.9	Very high	98.9	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.02	C	C	.	.			trans	-144.3	108.8	176.3	-161	-24.3	0	0	0	112.8	I74 V78 M81 L126 S132 V133 A134 K400	I74-D130 HydrophobicContact CG2-CB 4.04Å; V78-D130 HydrophobicContact CG1-CB 4.49Å; V78-D130 HydrophobicContact CG2-CB 3.81Å; M81-D130 WeakPolarHBondContact CE-OD2 3.23Å; L126-D130 PolarHBondContact O-N 3.32Å; D130-S132 PolarHBondContact O-N 3.24Å; D130-S132 VanDerWaalsContact OD1-CB 3.3Å; D130-S132 WeakPolarHBondContact OD1-CB 3.39Å; D130-S132 PolarHBondContact OD1-N 2.81Å; D130-S132 PolarHBondContact OD1-OG 3.4Å; D130-V133 HydrophobicContact CB-CB 4.21Å; D130-V133 HydrophobicContact CB-CG2 3.91Å; D130-V133 PolarHBondContact O-N 3.43Å; D130-V133 VanDerWaalsContact O-N 3.1Å; D130-A134 PolarHBondContact O-N 3.4Å; D130-A134 VanDerWaalsContact O-N 3.09Å; D130-K400 IonicContact OD1-NZ 3.68Å; D130-K400 PolarHBondContact OD1-NZ 3.32Å; D130-K400 IonicContact OD2-NZ 2.83Å
131	P	98.8	Very high	98.9	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-58.8	-25.9	175.1	-26.9	37.6	0	0	0	114.3	V135 L253 Q298 L302 Y401 D404	P131-V135 PolarHBondContact O-N 2.82Å; P131-V135 VanDerWaalsContact O-N 3.07Å; P131-L253 HydrophobicContact CB-CD1 3.85Å; P131-Q298 HydrophobicContact CB-CG 4.47Å; P131-Q298 PolarHBondContact O-NE2 3.36Å; P131-L302 HydrophobicContact CB-CB 4.43Å; P131-L302 HydrophobicContact CG-CB 3.57Å; P131-L302 HydrophobicContact CG-CD2 4.37Å; P131-Y401 HydrophobicContact CG-CD1 4.3Å; P131-Y401 HydrophobicContact CG-CE1 4.36Å; P131-D404 HydrophobicContact CB-CB 4.15Å; P131-D404 HydrophobicContact CG-CB 4.04Å
132	S	98.9	Very high	98.8	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-70.2	-35.5	176.7	-55.4	0	0	0	0	112.4	M87 D130 V135 L136 L253	M87-S132 WeakPolarHBondContact CE-O 3.43Å; D130-S132 PolarHBondContact O-N 3.24Å; D130-S132 VanDerWaalsContact OD1-CB 3.3Å; D130-S132 WeakPolarHBondContact OD1-CB 3.39Å; D130-S132 PolarHBondContact OD1-N 2.81Å; D130-S132 PolarHBondContact OD1-OG 3.4Å; S132-V135 VanDerWaalsContact O-CG1 3.29Å; S132-V135 WeakPolarHBondContact O-CG1 3.31Å; S132-L136 PolarHBondContact O-N 3.06Å; S132-L253 WeakPolarHBondContact OG-CA 3.32Å
133	V	98.9	Very high	98.8	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-74.2	-40.8	175.8	177.3	0	0	0	0	109.9	I74 M81 M87 V91 L95 L126 D130 V135 L136 C137	I74-V133 HydrophobicContact CD1-CG1 3.74Å; I74-V133 HydrophobicContact CG2-CG2 3.93Å; M81-V133 HydrophobicContact CE-CG2 4.1Å; M87-V133 HydrophobicContact CE-CG2 3.92Å; M87-V133 HydrophobicContact SD-CG2 3.74Å; V91-V133 HydrophobicContact CG1-CG1 4.18Å; V91-V133 HydrophobicContact CG1-CG2 3.81Å; L95-V133 HydrophobicContact CD1-CG1 3.87Å; L95-V133 HydrophobicContact CD2-CG1 3.95Å; L95-V133 HydrophobicContact CG-CG1 4.41Å; L126-V133 HydrophobicContact CD2-CG1 4.31Å; D130-V133 HydrophobicContact CB-CB 4.21Å; D130-V133 HydrophobicContact CB-CG2 3.91Å; D130-V133 PolarHBondContact O-N 3.43Å; D130-V133 VanDerWaalsContact O-N 3.1Å; V133-V135 VanDerWaalsContact C-N 3.34Å; V133-V135 PolarHBondContact O-N 2.76Å; V133-L136 WeakPolarHBondContact O-CB 3.31Å; V133-L136 PolarHBondContact O-N 3.36Å; V133-C137 PolarHBondContact O-N 3.18Å; V133-C137 VanDerWaalsContact O-N 3.13Å
134	A	98.9	Very high	98.8	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-59.5	-41.2	176.7	0	0	0	0	0	112.9	I123 L126 A127 D130 C137 D138 Q298	I123-A134 HydrophobicContact CG2-CB 4.37Å; L126-A134 HydrophobicContact CB-CB 3.92Å; A127-A134 HydrophobicContact CB-CB 3.61Å; D130-A134 PolarHBondContact O-N 3.4Å; D130-A134 VanDerWaalsContact O-N 3.09Å; A134-C137 PolarHBondContact O-N 3.43Å; A134-D138 WeakPolarHBondContact O-CB 3.31Å; A134-D138 PolarHBondContact O-N 3.32Å; A134-Q298 HydrophobicContact CB-CG 3.94Å
135	V	98.9	Very high	98.8	Very high	2 Å²	2	4.1 Å²	4.1	1%	0.012	2%	0.021	C	C	.	.	H	α-helix	trans	-70.7	-31.7	178	70.5	0	0	0	0	113.2	P131 S132 V133 C137 D138 I139 L253 Y411	P131-V135 PolarHBondContact O-N 2.82Å; P131-V135 VanDerWaalsContact O-N 3.07Å; S132-V135 VanDerWaalsContact O-CG1 3.29Å; S132-V135 WeakPolarHBondContact O-CG1 3.31Å; V133-V135 VanDerWaalsContact C-N 3.34Å; V133-V135 PolarHBondContact O-N 2.76Å; V135-C137 VanDerWaalsContact C-N 3.33Å; V135-D138 PolarHBondContact O-N 2.98Å; V135-I139 HydrophobicContact CG2-CD1 3.81Å; V135-I139 HydrophobicContact CG2-CG1 4.16Å; V135-I139 WeakPolarHBondContact O-CB 3.27Å; V135-I139 WeakPolarHBondContact O-CG1 3.34Å; V135-I139 PolarHBondContact O-N 3.49Å; V135-L253 HydrophobicContact CG1-CD2 4.31Å; V135-Y411 HydrophobicContact CG2-CE2 4Å
136	L	98.9	Very high	98.7	Very high	5 Å²	5	4.2 Å²	4.2	3%	0.026	2%	0.022	C	C	.	.	H	α-helix	trans	-59.6	-48.5	172.3	169.9	64.6	0	0	0	110	M87 I92 L95 M101 S132 V133 Q140 I169 N208	M87-L136 HydrophobicContact CE-CD2 4.27Å; M87-L136 HydrophobicContact CG-CD2 4.5Å; I92-L136 HydrophobicContact CG1-CD2 3.93Å; L95-L136 HydrophobicContact CD1-CD2 3.76Å; M101-L136 HydrophobicContact CE-CD1 4.14Å; M101-L136 HydrophobicContact CE-CG 4.02Å; S132-L136 PolarHBondContact O-N 3.06Å; V133-L136 WeakPolarHBondContact O-CB 3.31Å; V133-L136 PolarHBondContact O-N 3.36Å; L136-Q140 WeakPolarHBondContact O-CB 3.43Å; L136-Q140 PolarHBondContact O-N 3.47Å; L136-I169 HydrophobicContact CD1-CD1 3.99Å; L136-I169 HydrophobicContact CD1-CG1 4.28Å; L136-I169 HydrophobicContact CD1-CG2 3.9Å; L136-N208 HydrophobicContact CD1-CB 4.38Å; L136-N208 WeakPolarHBondContact CD1-OD1 3.35Å
137	C	98.8	Very high	98.6	Very high	1 Å²	1	4.3 Å²	4.3	1%	0.007	2%	0.022	C	C	.	.	H	α-helix	trans	-65.4	-42.8	177.5	-178.7	0	0	0	0	112.4	L100 M101 L126 V133 A134 V135 Q140 N141	L100-C137 PolarHBondContact O-SG 3.17Å; M101-C137 HydrophobicContact SD-CB 4.48Å; L126-C137 HydrophobicContact CD1-CB 3.72Å; V133-C137 PolarHBondContact O-N 3.18Å; V133-C137 VanDerWaalsContact O-N 3.13Å; A134-C137 PolarHBondContact O-N 3.43Å; V135-C137 VanDerWaalsContact C-N 3.33Å; C137-Q140 PolarHBondContact O-N 3.13Å; C137-N141 PolarHBondContact O-N 2.79Å; C137-N141 PolarHBondContact O-ND2 3.42Å; C137-N141 PolarHBondContact SG-ND2 2.91Å; C137-N141 VanDerWaalsContact SG-ND2 3.42Å
138	D	98.8	Very high	98.6	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-60	-56.1	178.5	175.6	39.5	0	0	0	111.6	I123 A134 V135 Q140 N141 T142 G294 I295	I123-D138 HydrophobicContact CD1-CB 3.79Å; I123-D138 WeakPolarHBondContact CD1-OD1 3.36Å; I123-D138 HydrophobicContact CG1-CB 4.06Å; I123-D138 HydrophobicContact CG2-CB 4.33Å; A134-D138 WeakPolarHBondContact O-CB 3.31Å; A134-D138 PolarHBondContact O-N 3.32Å; V135-D138 PolarHBondContact O-N 2.98Å; D138-Q140 PolarHBondContact O-N 2.93Å; D138-N141 PolarHBondContact O-N 3.23Å; D138-N141 VanDerWaalsContact O-N 3.09Å; D138-T142 PolarHBondContact O-N 2.87Å; D138-T142 PolarHBondContact O-OG1 3.3Å; D138-T142 WeakPolarHBondContact OD1-CB 3.46Å; D138-T142 WeakPolarHBondContact OD1-CG2 3.12Å; D138-T142 PolarHBondContact OD1-OG1 3.39Å; D138-G294 WeakPolarHBondContact OD1-CA 3.38Å; D138-I295 VanDerWaalsContact OD2-CD1 3.24Å; D138-I295 WeakPolarHBondContact OD2-CD1 3.49Å
139	I	98.8	Very high	98.5	Very high	11 Å²	11	5.3 Å²	5.3	6%	0.056	3%	0.031	C	C	.	.	I	π-helix	trans	-55.5	-44	-179.5	-70.1	167.2	0	0	0	110.8	V135 L143 I144	V135-I139 HydrophobicContact CG2-CD1 3.81Å; V135-I139 HydrophobicContact CG2-CG1 4.16Å; V135-I139 WeakPolarHBondContact O-CB 3.27Å; V135-I139 WeakPolarHBondContact O-CG1 3.34Å; V135-I139 PolarHBondContact O-N 3.49Å; I139-L143 HydrophobicContact CG1-CD1 4.36Å; I139-L143 HydrophobicContact CG2-CD1 4.4Å; I139-L143 WeakPolarHBondContact O-CB 3.25Å; I139-L143 PolarHBondContact O-N 2.88Å; I139-I144 HydrophobicContact CG2-CG1 4.17Å; I139-I144 WeakPolarHBondContact O-CG1 3.44Å; I139-I144 PolarHBondContact O-N 2.7Å
140	Q	98.9	Very high	98.4	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.048	C	C	.	.	I	π-helix	trans	-58.4	-52.3	178.5	-171.8	78.7	-2.1	0	0	111	M101 L136 C137 D138 I144 N145 L164 M168	M101-Q140 HydrophobicContact CB-CG 4.19Å; M101-Q140 HydrophobicContact CE-CB 3.72Å; M101-Q140 HydrophobicContact CE-CG 3.7Å; M101-Q140 VanDerWaalsContact O-CG 3.23Å; M101-Q140 WeakPolarHBondContact O-CG 3.38Å; M101-Q140 HydrophobicContact SD-CB 4.4Å; M101-Q140 HydrophobicContact SD-CG 4.44Å; L136-Q140 WeakPolarHBondContact O-CB 3.43Å; L136-Q140 PolarHBondContact O-N 3.47Å; C137-Q140 PolarHBondContact O-N 3.13Å; D138-Q140 PolarHBondContact O-N 2.93Å; Q140-I144 WeakPolarHBondContact O-CB 3.33Å; Q140-I144 PolarHBondContact O-N 3.11Å; Q140-N145 WeakPolarHBondContact O-CB 3.29Å; Q140-N145 PolarHBondContact O-N 3.24Å; Q140-N145 PolarHBondContact O-ND2 3.16Å; Q140-N145 PolarHBondContact O-OD1 3.1Å; Q140-L164 VanDerWaalsContact NE2-CD2 3.34Å; Q140-L164 PolarHBondContact NE2-O 3.07Å; Q140-M168 PolarHBondContact NE2-O 2.92Å
141	N	98.8	Very high	98.4	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	6%	0.058	C	C	.	.	I	π-helix	trans	-77.8	-52.4	-173.6	-72.5	-75.2	0	0	0	113.1	L100 V103 C137 D138 N145 T146	L100-N141 PolarHBondContact O-ND2 2.91Å; V103-N141 PolarHBondContact N-OD1 3.11Å; C137-N141 PolarHBondContact O-N 2.79Å; C137-N141 PolarHBondContact O-ND2 3.42Å; C137-N141 PolarHBondContact SG-ND2 2.91Å; C137-N141 VanDerWaalsContact SG-ND2 3.42Å; D138-N141 PolarHBondContact O-N 3.23Å; D138-N141 VanDerWaalsContact O-N 3.09Å; N141-N145 PolarHBondContact OD1-ND2 3.15Å; N141-T146 PolarHBondContact O-N 3.47Å; N141-T146 PolarHBondContact O-OG1 2.9Å
142	T	97.9	Very high	98.3	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	-84.7	-20.7	-167.5	70.3	0	0	0	0	113.5	F116 I123 D138 T146	F116-T142 HydrophobicContact CE2-CG2 4.12Å; I123-T142 HydrophobicContact CD1-CG2 4.06Å; D138-T142 PolarHBondContact O-N 2.87Å; D138-T142 PolarHBondContact O-OG1 3.3Å; D138-T142 WeakPolarHBondContact OD1-CB 3.46Å; D138-T142 WeakPolarHBondContact OD1-CG2 3.12Å; D138-T142 PolarHBondContact OD1-OG1 3.39Å; T142-T146 PolarHBondContact O-OG1 3.44Å
143	L	98.1	Very high	98.3	Very high	5 Å²	5	15.1 Å²	15.1	3%	0.026	8%	0.083	C	C	.	.	I	π-helix	trans	-108.6	-63.6	175.6	-54.6	-179.6	0	0	0	111.8	I139 L147 F172 M287	I139-L143 HydrophobicContact CG1-CD1 4.36Å; I139-L143 HydrophobicContact CG2-CD1 4.4Å; I139-L143 WeakPolarHBondContact O-CB 3.25Å; I139-L143 PolarHBondContact O-N 2.88Å; L143-L147 WeakPolarHBondContact O-CB 3.43Å; L143-L147 WeakPolarHBondContact O-CD1 3.33Å; L143-L147 VanDerWaalsContact O-CG 3.24Å; L143-L147 WeakPolarHBondContact O-CG 3.5Å; L143-L147 PolarHBondContact O-N 2.88Å; L143-L147 VanDerWaalsContact O-N 3.08Å; L143-F172 HydrophobicContact CB-CB 4.47Å; L143-F172 HydrophobicContact CD1-CB 4.03Å; L143-F172 HydrophobicContact CD1-CD1 4.27Å; L143-F172 HydrophobicContact CD1-CG 4.14Å; L143-M287 HydrophobicContact CD2-CB 3.9Å
144	I	98.7	Very high	98.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.116	C	C	.	.	I	π-helix	trans	-69.9	-58.8	-167.9	-54.5	-58.7	0	0	0	111.3	I139 Q140 T146 L147 F148 L164 F172 L216	I139-I144 HydrophobicContact CG2-CG1 4.17Å; I139-I144 WeakPolarHBondContact O-CG1 3.44Å; I139-I144 PolarHBondContact O-N 2.7Å; Q140-I144 WeakPolarHBondContact O-CB 3.33Å; Q140-I144 PolarHBondContact O-N 3.11Å; I144-T146 VanDerWaalsContact C-N 3.32Å; I144-T146 PolarHBondContact O-N 3.49Å; I144-L147 PolarHBondContact O-N 2.67Å; I144-F148 HydrophobicContact CG2-CD2 3.94Å; I144-F148 HydrophobicContact CG2-CE2 3.89Å; I144-F148 WeakPolarHBondContact O-CD2 3.45Å; I144-F148 PolarHBondContact O-N 3.2Å; I144-F148 VanDerWaalsContact O-N 3.14Å; I144-L164 HydrophobicContact CG2-CD1 3.93Å; I144-L164 HydrophobicContact CG2-CD2 3.73Å; I144-F172 HydrophobicContact CD1-CB 4.02Å; I144-L216 HydrophobicContact CD1-CD1 3.98Å; I144-L216 HydrophobicContact CD1-CG 4.24Å; I144-L216 HydrophobicContact CG2-CD1 4.39Å
145	N	98.5	Very high	98.2	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.011	15%	0.145	C	C	.	.	I	π-helix	trans	-60.3	-46.6	-177.2	-64.7	-9.3	0	0	0	110.1	M101 I105 Q140 N141 L147 F148 V149	M101-N145 PolarHBondContact O-ND2 3.36Å; I105-N145 HydrophobicContact CD1-CB 4.07Å; I105-N145 HydrophobicContact CG1-CB 3.99Å; Q140-N145 WeakPolarHBondContact O-CB 3.29Å; Q140-N145 PolarHBondContact O-N 3.24Å; Q140-N145 PolarHBondContact O-ND2 3.16Å; Q140-N145 PolarHBondContact O-OD1 3.1Å; N141-N145 PolarHBondContact OD1-ND2 3.15Å; N145-L147 VanDerWaalsContact C-N 3.31Å; N145-L147 PolarHBondContact O-N 2.79Å; N145-F148 PolarHBondContact O-N 3.09Å; N145-V149 WeakPolarHBondContact O-CB 3.45Å; N145-V149 VanDerWaalsContact O-CG2 3.27Å; N145-V149 WeakPolarHBondContact O-CG2 3.3Å; N145-V149 PolarHBondContact O-N 3.39Å
146	T	96.8	Very high	98.2	Very high	7 Å²	7	24.4 Å²	24.4	4%	0.043	15%	0.148	C	C	.	.	H	α-helix	trans	-56.3	-42.1	177.6	-59.3	0	0	0	0	112.3	N141 T142 I144 V149 K150 M287 E290	N141-T146 PolarHBondContact O-N 3.47Å; N141-T146 PolarHBondContact O-OG1 2.9Å; T142-T146 PolarHBondContact O-OG1 3.44Å; I144-T146 VanDerWaalsContact C-N 3.32Å; I144-T146 PolarHBondContact O-N 3.49Å; T146-V149 PolarHBondContact O-N 2.74Å; T146-K150 HydrophobicContact CG2-CD 3.8Å; T146-K150 VanDerWaalsContact CG2-CE 3.45Å; T146-K150 HydrophobicContact CG2-CG 4.37Å; T146-K150 WeakPolarHBondContact O-CB 3.4Å; T146-K150 WeakPolarHBondContact O-CG 3.28Å; T146-K150 PolarHBondContact O-N 2.94Å; T146-M287 HydrophobicContact CG2-CE 3.92Å; T146-M287 HydrophobicContact CG2-SD 3.39Å; T146-M287 WeakPolarHBondContact CG2-SD 3.48Å; T146-E290 WeakPolarHBondContact CG2-OE2 3.38Å
147	L	98.2	Very high	98.2	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-63	-46.9	176.3	-82.2	166.3	0	0	0	112.3	L143 I144 N145 K150 L151 F172 L216 L274 M287	L143-L147 WeakPolarHBondContact O-CB 3.43Å; L143-L147 WeakPolarHBondContact O-CD1 3.33Å; L143-L147 VanDerWaalsContact O-CG 3.24Å; L143-L147 WeakPolarHBondContact O-CG 3.5Å; L143-L147 PolarHBondContact O-N 2.88Å; L143-L147 VanDerWaalsContact O-N 3.08Å; I144-L147 PolarHBondContact O-N 2.67Å; N145-L147 VanDerWaalsContact C-N 3.31Å; N145-L147 PolarHBondContact O-N 2.79Å; L147-K150 PolarHBondContact O-N 3.33Å; L147-L151 HydrophobicContact CD2-CD1 3.62Å; L147-L151 VanDerWaalsContact O-CB 3.32Å; L147-L151 WeakPolarHBondContact O-CB 3.45Å; L147-L151 PolarHBondContact O-N 3.4Å; L147-F172 HydrophobicContact CD1-CD2 3.88Å; L147-F172 HydrophobicContact CD1-CE2 3.85Å; L147-L216 HydrophobicContact CB-CD1 3.75Å; L147-L216 HydrophobicContact CD1-CD1 3.47Å; L147-L216 VanDerWaalsContact CD1-CD1 3.47Å; L147-L216 HydrophobicContact CG-CD1 4.22Å; L147-L274 HydrophobicContact CB-CD2 3.87Å; L147-M287 HydrophobicContact CD1-CG 4Å; L147-M287 HydrophobicContact CD2-CG 3.41Å; L147-M287 VanDerWaalsContact CD2-CG 3.41Å; L147-M287 HydrophobicContact CD2-SD 3.9Å; L147-M287 HydrophobicContact CG-CG 3.47Å; L147-M287 VanDerWaalsContact CG-CG 3.47Å; L147-M287 HydrophobicContact CG-SD 3.78Å
148	F	98.5	Very high	98.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.5	-41.7	177.7	-80.8	-71.9	0	0	0	112.4	I144 N145 K150 G152 K157 Y160 L161 L164 V214 L216 I234 L274	I144-F148 HydrophobicContact CG2-CD2 3.94Å; I144-F148 HydrophobicContact CG2-CE2 3.89Å; I144-F148 WeakPolarHBondContact O-CD2 3.45Å; I144-F148 PolarHBondContact O-N 3.2Å; I144-F148 VanDerWaalsContact O-N 3.14Å; N145-F148 PolarHBondContact O-N 3.09Å; F148-K150 PolarHBondContact O-N 3.24Å; F148-G152 VanDerWaalsContact O-CA 3.29Å; F148-G152 WeakPolarHBondContact O-CA 3.25Å; F148-G152 PolarHBondContact O-N 3.45Å; F148-K157 VanDerWaalsContact O-CE 3.26Å; F148-K157 WeakPolarHBondContact O-CE 3.23Å; F148-Y160 HydrophobicContact CD1-CD2 4.11Å; F148-Y160 HydrophobicContact CD1-CG 4.29Å; F148-Y160 HydrophobicContact CE1-CD1 4.41Å; F148-Y160 AromaticContact CE1-CD2 3.31Å; F148-Y160 HydrophobicContact CE1-CD2 3.31Å; F148-Y160 HydrophobicContact CE1-CE2 4.05Å; F148-Y160 AromaticContact CE1-CG 3.54Å; F148-Y160 HydrophobicContact CE1-CG 3.54Å; F148-Y160 HydrophobicContact CZ-CD1 4.12Å; F148-Y160 AromaticContact CZ-CD2 3.84Å; F148-Y160 HydrophobicContact CZ-CD2 3.84Å; F148-Y160 HydrophobicContact CZ-CE2 4.46Å; F148-Y160 AromaticContact CZ-CG 3.66Å; F148-Y160 HydrophobicContact CZ-CG 3.66Å; F148-L161 HydrophobicContact CB-CD2 3.5Å; F148-L161 VanDerWaalsContact CB-CD2 3.5Å; F148-L161 HydrophobicContact CB-CG 4.17Å; F148-L161 HydrophobicContact CG-CD2 4.47Å; F148-L164 HydrophobicContact CD2-CD1 3.35Å; F148-L164 HydrophobicContact CE2-CD1 3.63Å; F148-L164 HydrophobicContact CG-CD1 4.1Å; F148-V214 HydrophobicContact CZ-CG2 4.27Å; F148-L216 HydrophobicContact CD2-CD1 4.42Å; F148-L216 HydrophobicContact CE2-CD1 4.11Å; F148-L216 HydrophobicContact CE2-CD2 3.84Å; F148-L216 HydrophobicContact CE2-CG 4.26Å; F148-L216 HydrophobicContact CZ-CD2 3.73Å; F148-I234 HydrophobicContact CE1-CD1 3.72Å; F148-I234 HydrophobicContact CE1-CG1 3.99Å; F148-I234 HydrophobicContact CE1-CG2 4.26Å; F148-I234 HydrophobicContact CZ-CD1 4.36Å; F148-I234 HydrophobicContact CZ-CG1 4.16Å; F148-I234 HydrophobicContact CZ-CG2 3.89Å; F148-L274 HydrophobicContact CD1-CD1 4.36Å
149	V	97.3	Very high	98	Very high	55 Å²	55	37.1 Å²	37.1	33%	0.333	21%	0.205	S	C	.	.	H	α-helix	trans	-61.3	-45.2	177.4	169.3	0	0	0	0	110.9	N145 T146 K157 L161	N145-V149 WeakPolarHBondContact O-CB 3.45Å; N145-V149 VanDerWaalsContact O-CG2 3.27Å; N145-V149 WeakPolarHBondContact O-CG2 3.3Å; N145-V149 PolarHBondContact O-N 3.39Å; T146-V149 PolarHBondContact O-N 2.74Å; V149-K157 WeakPolarHBondContact O-CE 3.45Å; V149-K157 PolarHBondContact O-NZ 3.05Å; V149-L161 HydrophobicContact CG2-CD1 4.07Å; V149-L161 HydrophobicContact CG2-CD2 3.99Å
150	K	96.6	Very high	98	Very high	108 Å²	108	36.8 Å²	36.8	47%	0.47	20%	0.203	S	C	.	.	H	α-helix	trans	-80.3	-36.1	-174.8	-70.1	-178.4	-176.7	177.7	0	114	T146 L147 F148 M287 E290	T146-K150 HydrophobicContact CG2-CD 3.8Å; T146-K150 VanDerWaalsContact CG2-CE 3.45Å; T146-K150 HydrophobicContact CG2-CG 4.37Å; T146-K150 WeakPolarHBondContact O-CB 3.4Å; T146-K150 WeakPolarHBondContact O-CG 3.28Å; T146-K150 PolarHBondContact O-N 2.94Å; L147-K150 PolarHBondContact O-N 3.33Å; F148-K150 PolarHBondContact O-N 3.24Å; K150-M287 HydrophobicContact CD-CE 3.93Å; K150-E290 VanDerWaalsContact NZ-CD 3.26Å; K150-E290 IonicContact NZ-OE1 2.91Å; K150-E290 PolarHBondContact NZ-OE1 3.24Å; K150-E290 IonicContact NZ-OE2 2.58Å; K150-E290 PolarHBondContact NZ-OE2 2.76Å; K150-E290 VanDerWaalsContact NZ-OE2 3.13Å
151	L	98.2	Very high	98	Very high	41 Å²	41	36.9 Å²	36.9	22%	0.215	20%	0.203	C	C	.	.	H	α-helix	trans	-119.5	-13.9	-166.1	-53.3	176.6	0	0	0	113.7	L147 L274 Y283	L147-L151 HydrophobicContact CD2-CD1 3.62Å; L147-L151 VanDerWaalsContact O-CB 3.32Å; L147-L151 WeakPolarHBondContact O-CB 3.45Å; L147-L151 PolarHBondContact O-N 3.4Å; L151-L274 HydrophobicContact CB-CD1 3.82Å; L151-L274 HydrophobicContact CB-CG 3.87Å; L151-L274 HydrophobicContact CD1-CG 4.42Å; L151-Y283 HydrophobicContact CD1-CD1 3.54Å; L151-Y283 HydrophobicContact CD1-CD2 3.63Å; L151-Y283 HydrophobicContact CD1-CE1 3.95Å; L151-Y283 HydrophobicContact CD1-CE2 4.04Å; L151-Y283 HydrophobicContact CD1-CG 3.37Å; L151-Y283 HydrophobicContact CD2-CD1 3.97Å; L151-Y283 HydrophobicContact CD2-CE1 3.72Å; L151-Y283 HydrophobicContact CG-CD1 4.42Å
152	G	98.1	Very high	97.9	Very high	10 Å²	10	38.5 Å²	38.5	10%	0.103	22%	0.215	C	C	.	.			trans	-66.2	135.6	-177.9	0	0	0	0	0	111.9	F148 K157	F148-G152 VanDerWaalsContact O-CA 3.29Å; F148-G152 WeakPolarHBondContact O-CA 3.25Å; F148-G152 PolarHBondContact O-N 3.45Å; G152-K157 WeakPolarHBondContact O-CE 3.23Å
153	T	98.5	Very high	97.9	Very high	68 Å²	68	43.8 Å²	43.8	42%	0.417	24%	0.235	S	C	.	.			trans	-64.9	161.4	163.2	67.6	0	0	0	0	110.1	A155 Q156 K157	T153-A155 PolarHBondContact O-N 3.2Å; T153-Q156 PolarHBondContact O-N 2.9Å; T153-Q156 WeakPolarHBondContact OG1-CG 3.29Å; T153-Q156 PolarHBondContact OG1-N 3.16Å; T153-K157 WeakPolarHBondContact O-CG 3.3Å; T153-K157 PolarHBondContact O-N 3.31Å
154	P	97.9	Very high	97.9	Very high	109 Å²	109	43.6 Å²	43.6	71%	0.708	23%	0.233	S	C	*	.	H	α-helix	trans	-51.7	-41.5	176.4	-29.1	36.2	0	0	0	113.5	K157 E158	P154-K157 PolarHBondContact O-N 2.78Å; P154-E158 WeakPolarHBondContact O-CB 3.29Å; P154-E158 PolarHBondContact O-N 3.49Å
155	A	97.9	Very high	97.9	Very high	74 Å²	74	43.8 Å²	43.8	61%	0.612	24%	0.235	S	C	*	.	H	α-helix	trans	-67.4	-36.5	177.6	0	0	0	0	0	113.2	T153 K159	T153-A155 PolarHBondContact O-N 3.2Å; A155-K159 WeakPolarHBondContact O-CB 3.34Å; A155-K159 PolarHBondContact O-N 3.13Å; A155-K159 VanDerWaalsContact O-N 3.11Å
156	Q	98.6	Very high	97.7	Very high	13 Å²	13	47.4 Å²	47.4	6%	0.061	26%	0.257	C	S	.	.	H	α-helix	trans	-69.8	-42.8	175	-71	166.8	-14.1	0	0	110.9	T153 K159 Y160 I234 A271 I273	T153-Q156 PolarHBondContact O-N 2.9Å; T153-Q156 WeakPolarHBondContact OG1-CG 3.29Å; T153-Q156 PolarHBondContact OG1-N 3.16Å; Q156-K159 PolarHBondContact O-N 3.45Å; Q156-Y160 HydrophobicContact CB-CD2 4.34Å; Q156-Y160 WeakPolarHBondContact O-CB 3.34Å; Q156-Y160 WeakPolarHBondContact O-CD2 3.23Å; Q156-Y160 PolarHBondContact O-N 2.82Å; Q156-I234 HydrophobicContact CB-CD1 4.47Å; Q156-I234 HydrophobicContact CG-CD1 3.94Å; Q156-A271 PolarHBondContact NE2-O 2.82Å; Q156-I273 PolarHBondContact NE2-O 3.04Å
157	K	98.5	Very high	97.8	Very high	51 Å²	51	51.7 Å²	51.7	22%	0.222	28%	0.28	C	S	.	.	H	α-helix	trans	-59.2	-50.1	177.3	-73.2	-179.4	173.4	-175.9	0	111.3	Y109 F148 V149 G152 T153 P154 K159 Y160 L161	Y109-K157 HydrophobicContact CE1-CB 4.22Å; F148-K157 VanDerWaalsContact O-CE 3.26Å; F148-K157 WeakPolarHBondContact O-CE 3.23Å; V149-K157 WeakPolarHBondContact O-CE 3.45Å; V149-K157 PolarHBondContact O-NZ 3.05Å; G152-K157 WeakPolarHBondContact O-CE 3.23Å; T153-K157 WeakPolarHBondContact O-CG 3.3Å; T153-K157 PolarHBondContact O-N 3.31Å; P154-K157 PolarHBondContact O-N 2.78Å; K157-K159 VanDerWaalsContact C-N 3.34Å; K157-K159 PolarHBondContact O-N 3.3Å; K157-Y160 PolarHBondContact O-N 2.97Å; K157-L161 HydrophobicContact CB-CD1 3.86Å; K157-L161 HydrophobicContact CB-CG 4.36Å; K157-L161 HydrophobicContact CD-CD1 4.34Å; K157-L161 HydrophobicContact CG-CD1 3.84Å; K157-L161 HydrophobicContact CG-CG 4.5Å; K157-L161 VanDerWaalsContact O-CB 3.28Å; K157-L161 WeakPolarHBondContact O-CB 3.26Å; K157-L161 PolarHBondContact O-N 3.39Å
158	E	96.8	Very high	97.8	Very high	122 Å²	122	52 Å²	52	57%	0.57	28%	0.281	S	S	*	.	H	α-helix	trans	-58.2	-44.7	176.8	-173.8	61.4	-156.7	0	0	112.2	P154	P154-E158 WeakPolarHBondContact O-CB 3.29Å; P154-E158 PolarHBondContact O-N 3.49Å
159	K	97.5	Very high	97.8	Very high	100 Å²	100	52.2 Å²	52.2	44%	0.435	28%	0.283	S	S	.	.	H	α-helix	trans	-66.1	-42.8	-179.7	-176.7	-179	174.2	-159.1	0	112.5	A155 Q156 K157 D236	A155-K159 WeakPolarHBondContact O-CB 3.34Å; A155-K159 PolarHBondContact O-N 3.13Å; A155-K159 VanDerWaalsContact O-N 3.11Å; Q156-K159 PolarHBondContact O-N 3.45Å; K157-K159 VanDerWaalsContact C-N 3.34Å; K157-K159 PolarHBondContact O-N 3.3Å; K159-D236 IonicContact NZ-OD1 3.32Å; K159-D236 IonicContact NZ-OD2 3.19Å; K159-D236 PolarHBondContact NZ-OD2 3.07Å
160	Y	98.7	Very high	97.9	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.016	27%	0.267	C	S	.	.	H	α-helix	trans	-105.2	-43.6	-166.3	-64.1	-72.4	0	0	0	114	F148 Q156 K157 S162 R163 L164 M168 V214 I234 D236	F148-Y160 HydrophobicContact CD1-CD2 4.11Å; F148-Y160 HydrophobicContact CD1-CG 4.29Å; F148-Y160 HydrophobicContact CE1-CD1 4.41Å; F148-Y160 AromaticContact CE1-CD2 3.31Å; F148-Y160 HydrophobicContact CE1-CD2 3.31Å; F148-Y160 HydrophobicContact CE1-CE2 4.05Å; F148-Y160 AromaticContact CE1-CG 3.54Å; F148-Y160 HydrophobicContact CE1-CG 3.54Å; F148-Y160 HydrophobicContact CZ-CD1 4.12Å; F148-Y160 AromaticContact CZ-CD2 3.84Å; F148-Y160 HydrophobicContact CZ-CD2 3.84Å; F148-Y160 HydrophobicContact CZ-CE2 4.46Å; F148-Y160 AromaticContact CZ-CG 3.66Å; F148-Y160 HydrophobicContact CZ-CG 3.66Å; Q156-Y160 HydrophobicContact CB-CD2 4.34Å; Q156-Y160 WeakPolarHBondContact O-CB 3.34Å; Q156-Y160 WeakPolarHBondContact O-CD2 3.23Å; Q156-Y160 PolarHBondContact O-N 2.82Å; K157-Y160 PolarHBondContact O-N 2.97Å; Y160-S162 VanDerWaalsContact C-N 3.34Å; Y160-S162 PolarHBondContact O-N 3.33Å; Y160-R163 PolarHBondContact O-N 3.4Å; Y160-R163 VanDerWaalsContact O-N 3.08Å; Y160-L164 WeakPolarHBondContact O-CB 3.26Å; Y160-L164 WeakPolarHBondContact O-CG 3.4Å; Y160-L164 PolarHBondContact O-N 3.44Å; Y160-M168 HydrophobicContact CD1-SD 4.3Å; Y160-V214 HydrophobicContact CD1-CG2 4.12Å; Y160-V214 HydrophobicContact CE1-CG2 3.88Å; Y160-I234 HydrophobicContact CD2-CD1 4.48Å; Y160-I234 HydrophobicContact CD2-CG2 4.4Å; Y160-I234 HydrophobicContact CE1-CG2 3.83Å; Y160-I234 HydrophobicContact CE2-CD1 4.02Å; Y160-I234 HydrophobicContact CE2-CG2 3.69Å; Y160-I234 WeakPolarHBondContact OH-CG2 3.26Å; Y160-D236 WeakPolarHBondContact CE1-OD1 3.41Å; Y160-D236 PolarHBondContact OH-OD1 3.28Å
161	L	98.5	Very high	98	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-61.8	-41.9	-173.9	-69	-179.5	0	0	0	112.1	I105 Y109 F148 V149 K157 R163 L164 S165	I105-L161 HydrophobicContact CD1-CD2 4.02Å; I105-L161 HydrophobicContact CG1-CD2 4.23Å; I105-L161 HydrophobicContact CG2-CB 4.3Å; Y109-L161 HydrophobicContact CD1-CB 4.2Å; Y109-L161 HydrophobicContact CD2-CB 4.17Å; Y109-L161 HydrophobicContact CD2-CD1 3.65Å; Y109-L161 HydrophobicContact CE2-CD1 3.92Å; Y109-L161 HydrophobicContact CG-CB 3.75Å; Y109-L161 HydrophobicContact CG-CD1 4.09Å; F148-L161 HydrophobicContact CB-CD2 3.5Å; F148-L161 VanDerWaalsContact CB-CD2 3.5Å; F148-L161 HydrophobicContact CB-CG 4.17Å; F148-L161 HydrophobicContact CG-CD2 4.47Å; V149-L161 HydrophobicContact CG2-CD1 4.07Å; V149-L161 HydrophobicContact CG2-CD2 3.99Å; K157-L161 HydrophobicContact CB-CD1 3.86Å; K157-L161 HydrophobicContact CB-CG 4.36Å; K157-L161 HydrophobicContact CD-CD1 4.34Å; K157-L161 HydrophobicContact CG-CD1 3.84Å; K157-L161 HydrophobicContact CG-CG 4.5Å; K157-L161 VanDerWaalsContact O-CB 3.28Å; K157-L161 WeakPolarHBondContact O-CB 3.26Å; K157-L161 PolarHBondContact O-N 3.39Å; L161-R163 PolarHBondContact O-N 3Å; L161-L164 HydrophobicContact CD2-CD1 4.42Å; L161-L164 PolarHBondContact O-N 3.17Å; L161-S165 PolarHBondContact O-N 2.86Å; L161-S165 PolarHBondContact O-OG 3.44Å; L161-S165 VanDerWaalsContact O-OG 3.12Å
162	S	96.2	Very high	98	Very high	35 Å²	35	43.7 Å²	43.7	25%	0.245	24%	0.239	C	C	.	.	H	α-helix	trans	-61.1	-29.9	177.2	-53.1	0	0	0	0	113.3	Y109 Y160 S165 T166	Y109-S162 WeakPolarHBondContact O-CA 3.44Å; Y160-S162 VanDerWaalsContact C-N 3.34Å; Y160-S162 PolarHBondContact O-N 3.33Å; S162-S165 PolarHBondContact O-OG 2.87Å; S162-T166 WeakPolarHBondContact O-CG2 3.44Å; S162-T166 PolarHBondContact O-OG1 3.44Å
163	R	98.3	Very high	98.1	Very high	112 Å²	112	43.2 Å²	43.2	42%	0.423	23%	0.234	S	C	.	.	H	α-helix	trans	-85.9	-38.9	176.2	-65	-162	64.4	-168.2	-5	112	Y160 L161 S165 T166 D167 M168	Y160-R163 PolarHBondContact O-N 3.4Å; Y160-R163 VanDerWaalsContact O-N 3.08Å; L161-R163 PolarHBondContact O-N 3Å; R163-S165 PolarHBondContact O-N 3.1Å; R163-T166 PolarHBondContact O-N 3.1Å; R163-D167 IonicContact CZ-OD1 3.27Å; R163-D167 IonicContact NE-OD1 3.97Å; R163-D167 PolarHBondContact NE-OD1 3.45Å; R163-D167 IonicContact NE-OD2 3.63Å; R163-D167 IonicContact NH2-OD1 3.03Å; R163-D167 PolarHBondContact NH2-OD1 2.96Å; R163-D167 VanDerWaalsContact NH2-OD1 3.07Å; R163-D167 IonicContact NH2-OD2 3.85Å; R163-D167 PolarHBondContact O-N 2.9Å; R163-M168 HydrophobicContact CB-CB 3.79Å; R163-M168 HydrophobicContact CB-CE 4.3Å; R163-M168 HydrophobicContact CB-SD 4.33Å; R163-M168 PolarHBondContact O-N 3.38Å
164	L	98.7	Very high	98.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65	-22	177.4	-70.9	167.1	0	0	0	112.8	F96 I105 Q140 I144 F148 Y160 L161 M168 V214	F96-L164 WeakPolarHBondContact CE1-O 3.41Å; I105-L164 HydrophobicContact CD1-CB 4.25Å; Q140-L164 VanDerWaalsContact NE2-CD2 3.34Å; Q140-L164 PolarHBondContact NE2-O 3.07Å; I144-L164 HydrophobicContact CG2-CD1 3.93Å; I144-L164 HydrophobicContact CG2-CD2 3.73Å; F148-L164 HydrophobicContact CD2-CD1 3.35Å; F148-L164 HydrophobicContact CE2-CD1 3.63Å; F148-L164 HydrophobicContact CG-CD1 4.1Å; Y160-L164 WeakPolarHBondContact O-CB 3.26Å; Y160-L164 WeakPolarHBondContact O-CG 3.4Å; Y160-L164 PolarHBondContact O-N 3.44Å; L161-L164 HydrophobicContact CD2-CD1 4.42Å; L161-L164 PolarHBondContact O-N 3.17Å; L164-M168 HydrophobicContact CD2-CG 4.25Å; L164-M168 HydrophobicContact CD2-SD 4.42Å; L164-V214 HydrophobicContact CD2-CG1 3.94Å
165	S	97.3	Very high	98.1	Very high	5 Å²	5	36.8 Å²	36.8	4%	0.035	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-14.3	172	59.2	0	0	0	0	114	Y109 L161 S162 R163	Y109-S165 PolarHBondContact O-OG 3.36Å; L161-S165 PolarHBondContact O-N 2.86Å; L161-S165 PolarHBondContact O-OG 3.44Å; L161-S165 VanDerWaalsContact O-OG 3.12Å; S162-S165 PolarHBondContact O-OG 2.87Å; R163-S165 PolarHBondContact O-N 3.1Å
166	T	95.7	Very high	98.1	Very high	78 Å²	78	33.7 Å²	33.7	48%	0.479	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.1	-43.7	-168.1	56.7	0	0	0	0	116.4	F96 S162 R163	F96-T166 VanDerWaalsContact CB-O 3.26Å; F96-T166 WeakPolarHBondContact CB-O 3.5Å; F96-T166 WeakPolarHBondContact CD1-O 3.36Å; F96-T166 VanDerWaalsContact CG-O 3.23Å; F96-T166 WeakPolarHBondContact CG-O 3.42Å; S162-T166 WeakPolarHBondContact O-CG2 3.44Å; S162-T166 PolarHBondContact O-OG1 3.44Å; R163-T166 PolarHBondContact O-N 3.1Å
167	D	97.7	Very high	98.1	Very high	97 Å²	97	36.6 Å²	36.6	52%	0.519	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-146.9	-6	-170.2	79	5.4	0	0	0	116.2	R163	R163-D167 IonicContact CZ-OD1 3.27Å; R163-D167 IonicContact NE-OD1 3.97Å; R163-D167 PolarHBondContact NE-OD1 3.45Å; R163-D167 IonicContact NE-OD2 3.63Å; R163-D167 IonicContact NH2-OD1 3.03Å; R163-D167 PolarHBondContact NH2-OD1 2.96Å; R163-D167 VanDerWaalsContact NH2-OD1 3.07Å; R163-D167 IonicContact NH2-OD2 3.85Å; R163-D167 PolarHBondContact O-N 2.9Å
168	M	98.7	Very high	97.9	Very high	7 Å²	7	41.8 Å²	41.8	3%	0.034	22%	0.218	C	C	.	.			trans	-116.6	123.4	-173	-179.5	-178.6	-75.4	0	0	111.5	Q140 Y160 R163 L164 V214	Q140-M168 PolarHBondContact NE2-O 2.92Å; Y160-M168 HydrophobicContact CD1-SD 4.3Å; R163-M168 HydrophobicContact CB-CB 3.79Å; R163-M168 HydrophobicContact CB-CE 4.3Å; R163-M168 HydrophobicContact CB-SD 4.33Å; R163-M168 PolarHBondContact O-N 3.38Å; L164-M168 HydrophobicContact CD2-CG 4.25Å; L164-M168 HydrophobicContact CD2-SD 4.42Å; M168-V214 HydrophobicContact CG-CG1 4.13Å; M168-V214 HydrophobicContact SD-CB 3.7Å; M168-V214 HydrophobicContact SD-CG1 3.55Å; M168-V214 VanDerWaalsContact SD-CG1 3.55Å
169	I	98.9	Very high	97.7	Very high	6 Å²	6	36 Å²	36	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	141.2	168.1	-65.7	164.6	0	0	0	109.6	I92 F96 M101 L136 N208 H211 A212 G213 V214	I92-I169 HydrophobicContact CD1-CD1 4.27Å; I92-I169 HydrophobicContact CG1-CD1 4.31Å; I92-I169 HydrophobicContact CG2-CD1 3.65Å; F96-I169 HydrophobicContact CE2-CG1 3.96Å; F96-I169 HydrophobicContact CZ-CG1 3.93Å; M101-I169 HydrophobicContact CE-CG1 4.2Å; L136-I169 HydrophobicContact CD1-CD1 3.99Å; L136-I169 HydrophobicContact CD1-CG1 4.28Å; L136-I169 HydrophobicContact CD1-CG2 3.9Å; I169-N208 HydrophobicContact CG2-CB 3.73Å; I169-H211 HydrophobicContact CD1-CB 3.73Å; I169-A212 HydrophobicContact CG2-CB 4.44Å; I169-A212 CarbonylContact O-C 3.59Å; I169-A212 VanDerWaalsContact O-CA 3.22Å; I169-A212 WeakPolarHBondContact O-CA 3.23Å; I169-G213 PolarHBondContact O-N 3.27Å; I169-V214 PolarHBondContact O-N 3.17Å
170	G	98.8	Very high	97.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	157.8	171.7	0	0	0	0	0	114.2	V214	G170-V214 CarbonylContact C-O 3.37Å; G170-V214 WeakPolarHBondContact CA-O 3.49Å
171	S	98.9	Very high	97.4	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.4	172.9	-77	0	0	0	0	111.9	S207 A209 A212 V214 F215 L216	S171-S207 PolarHBondContact OG-O 2.93Å; S171-A209 WeakPolarHBondContact OG-CA 3.42Å; S171-A209 PolarHBondContact OG-N 3Å; S171-A212 WeakPolarHBondContact OG-CB 3.35Å; S171-V214 PolarHBondContact N-O 3.28Å; S171-F215 WeakPolarHBondContact O-CA 3.35Å; S171-L216 PolarHBondContact O-N 3.09Å
172	F	98.8	Very high	97.3	Very high	24 Å²	24	42 Å²	42	11%	0.105	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	118.8	179.3	179.3	-97.9	0	0	0	110	L143 I144 L147 L174 M218 A284 L288	L143-F172 HydrophobicContact CB-CB 4.47Å; L143-F172 HydrophobicContact CD1-CB 4.03Å; L143-F172 HydrophobicContact CD1-CD1 4.27Å; L143-F172 HydrophobicContact CD1-CG 4.14Å; I144-F172 HydrophobicContact CD1-CB 4.02Å; L147-F172 HydrophobicContact CD1-CD2 3.88Å; L147-F172 HydrophobicContact CD1-CE2 3.85Å; F172-L174 HydrophobicContact CD1-CB 4.24Å; F172-L174 HydrophobicContact CE1-CB 3.61Å; F172-L174 HydrophobicContact CE1-CD2 3.99Å; F172-L174 HydrophobicContact CE1-CG 4.44Å; F172-L174 HydrophobicContact CZ-CB 4.24Å; F172-L174 HydrophobicContact CZ-CD2 4.32Å; F172-M218 HydrophobicContact CD1-CE 4.18Å; F172-M218 HydrophobicContact CD2-CE 3.82Å; F172-M218 HydrophobicContact CE1-CE 3.66Å; F172-M218 HydrophobicContact CE2-CE 3.25Å; F172-M218 HydrophobicContact CE2-SD 4.14Å; F172-M218 HydrophobicContact CG-CE 4.27Å; F172-M218 HydrophobicContact CZ-CE 3.17Å; F172-M218 HydrophobicContact CZ-SD 4.44Å; F172-A284 HydrophobicContact CZ-CB 3.97Å; F172-L288 HydrophobicContact CE1-CD2 4.33Å
173	C	98.8	Very high	97.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	84.7	-165.6	-45.8	0	0	0	0	111.9	K203 I206 L216 V217 M218 L261	C173-K203 HydrophobicContact CB-CB 4.48Å; C173-K203 HydrophobicContact CB-CD 4.44Å; C173-K203 HydrophobicContact CB-CG 4.05Å; C173-K203 WeakPolarHBondContact O-CE 3.41Å; C173-I206 HydrophobicContact CB-CD1 4.09Å; C173-I206 HydrophobicContact CB-CG1 4.41Å; C173-L216 WeakPolarHBondContact CB-O 3.27Å; C173-L216 PolarHBondContact N-O 3.13Å; C173-V217 HydrophobicContact CB-CB 4.43Å; C173-V217 HydrophobicContact CB-CG2 4.09Å; C173-M218 PolarHBondContact O-N 3.32Å; C173-L261 HydrophobicContact CB-CD1 4.37Å
174	L	98.5	Very high	97	Very high	8 Å²	8	38.8 Å²	38.8	4%	0.042	23%	0.233	C	C	.	.			trans	-107	-60.4	-179.4	-178.1	58.8	0	0	0	112.7	F172 A183 L186 K203 M218 A284 L288	F172-L174 HydrophobicContact CD1-CB 4.24Å; F172-L174 HydrophobicContact CE1-CB 3.61Å; F172-L174 HydrophobicContact CE1-CD2 3.99Å; F172-L174 HydrophobicContact CE1-CG 4.44Å; F172-L174 HydrophobicContact CZ-CB 4.24Å; F172-L174 HydrophobicContact CZ-CD2 4.32Å; L174-A183 HydrophobicContact CD2-CB 3.93Å; L174-A183 HydrophobicContact CG-CB 4.22Å; L174-L186 HydrophobicContact CD1-CD2 4.26Å; L174-K203 WeakPolarHBondContact O-CD 3.3Å; L174-K203 PolarHBondContact O-NZ 3.16Å; L174-M218 HydrophobicContact CB-CE 3.58Å; L174-M218 HydrophobicContact CD1-CB 3.91Å; L174-M218 HydrophobicContact CD1-CE 3.98Å; L174-M218 HydrophobicContact CD1-CG 4.03Å; L174-M218 HydrophobicContact CG-CE 4.29Å; L174-A284 HydrophobicContact CD1-CB 4.26Å; L174-A284 HydrophobicContact CD2-CB 4.21Å; L174-L288 HydrophobicContact CD2-CD1 3.89Å
175	S	98.4	Very high	96.9	Very high	34 Å²	34	40.4 Å²	40.4	24%	0.238	25%	0.246	C	C	.	.			trans	-68.2	150.8	-168.2	-61.9	0	0	0	0	113.2	S179 K203 M204	S175-S179 WeakPolarHBondContact CA-O 3.26Å; S175-K203 WeakPolarHBondContact O-CA 3.47Å; S175-K203 WeakPolarHBondContact O-CD 3.46Å; S175-M204 PolarHBondContact O-N 2.95Å
176	E	98.6	Very high	96.9	Very high	10 Å²	10	40.5 Å²	40.5	5%	0.047	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-132.1	170.2	174.1	-50.3	-174.3	174.3	0	0	108.9	E178 S179 L186 K187 T188 S202 K203	E176-E178 PolarHBondContact O-N 2.9Å; E176-S179 VanDerWaalsContact CB-OG 3.26Å; E176-S179 WeakPolarHBondContact CB-OG 3.41Å; E176-S179 WeakPolarHBondContact CG-OG 3.28Å; E176-S179 PolarHBondContact N-O 3.45Å; E176-S179 VanDerWaalsContact N-O 3.16Å; E176-S179 PolarHBondContact N-OG 3.3Å; E176-S179 CarbonylContact O-C 3.55Å; E176-S179 PolarHBondContact O-N 2.99Å; E176-S179 VanDerWaalsContact O-N 3.11Å; E176-L186 HydrophobicContact CG-CB 4.34Å; E176-L186 WeakPolarHBondContact OE1-CB 3.45Å; E176-K187 PolarHBondContact OE1-N 2.98Å; E176-K187 WeakPolarHBondContact OE2-CA 3.35Å; E176-K187 WeakPolarHBondContact OE2-CB 3.34Å; E176-K187 PolarHBondContact OE2-N 3.4Å; E176-T188 WeakPolarHBondContact OE1-CB 3.38Å; E176-T188 PolarHBondContact OE1-N 3.35Å; E176-T188 PolarHBondContact OE1-OG1 3.48Å; E176-T188 PolarHBondContact OE2-N 3.25Å; E176-S202 VanDerWaalsContact CG-O 3.28Å; E176-S202 WeakPolarHBondContact CG-O 3.49Å; E176-K203 HydrophobicContact CG-CD 3.96Å; E176-K203 IonicContact OE1-NZ 2.64Å; E176-K203 PolarHBondContact OE1-NZ 2.82Å
177	A	97.1	Very high	97	Very high	74 Å²	74	42.3 Å²	42.3	61%	0.612	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-39.1	-179.9	0	0	0	0	0	112.6	M204	A177-M204 HydrophobicContact CB-CE 4.24Å
178	E	94.7	Very high	97.1	Very high	159 Å²	159	37.7 Å²	37.7	74%	0.743	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-3.9	-180	-60	-172	162	0	0	113.7	E176	E176-E178 PolarHBondContact O-N 2.9Å
179	S	93.3	Very high	97.1	Very high	1 Å²	1	42 Å²	42	1%	0.007	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-133.6	75.8	-174.9	71.7	0	0	0	0	111.7	S175 E176 D182	S175-S179 WeakPolarHBondContact CA-O 3.26Å; E176-S179 VanDerWaalsContact CB-OG 3.26Å; E176-S179 WeakPolarHBondContact CB-OG 3.41Å; E176-S179 WeakPolarHBondContact CG-OG 3.28Å; E176-S179 PolarHBondContact N-O 3.45Å; E176-S179 VanDerWaalsContact N-O 3.16Å; E176-S179 PolarHBondContact N-OG 3.3Å; E176-S179 CarbonylContact O-C 3.55Å; E176-S179 PolarHBondContact O-N 2.99Å; E176-S179 VanDerWaalsContact O-N 3.11Å; S179-D182 WeakPolarHBondContact CB-O 3.3Å
180	G	95.3	Very high	97.1	Very high	40 Å²	40	41.9 Å²	41.9	41%	0.412	24%	0.238	S	C	.	.	S	Bend	trans	-91.6	-90.3	172.8	0	0	0	0	0	111.9	D182 A183	G180-D182 VanDerWaalsContact C-N 3.34Å; G180-A183 PolarHBondContact O-N 2.99Å
181	S	95.2	Very high	97.1	Very high	84 Å²	84	47.1 Å²	47.1	59%	0.587	26%	0.263	S	S	*	.	S	Bend	trans	-66.1	-34.9	175.9	-59.5	0	0	0	0	112.8	A183	S181-A183 PolarHBondContact O-N 2.86Å; S181-A183 VanDerWaalsContact O-N 3.09Å
182	D	95.4	Very high	97	Very high	108 Å²	108	52.7 Å²	52.7	58%	0.578	29%	0.287	S	S	*	.	S	Bend	trans	-83.1	64.4	166.9	-170.4	7.6	0	0	0	110.1	S179 G180 F184 A185	S179-D182 WeakPolarHBondContact CB-O 3.3Å; G180-D182 VanDerWaalsContact C-N 3.34Å; D182-F184 PolarHBondContact O-N 3.33Å; D182-A185 HydrophobicContact CB-CB 4.38Å; D182-A185 PolarHBondContact O-N 3.07Å; D182-A185 VanDerWaalsContact O-N 3.16Å; D182-A185 WeakPolarHBondContact OD2-CB 3.33Å
183	A	92.3	Very high	96.9	Very high	18 Å²	18	55.2 Å²	55.2	15%	0.149	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-61.6	-20.9	-168.5	0	0	0	0	0	114	L174 G180 S181	L174-A183 HydrophobicContact CD2-CB 3.93Å; L174-A183 HydrophobicContact CG-CB 4.22Å; G180-A183 PolarHBondContact O-N 2.99Å; S181-A183 PolarHBondContact O-N 2.86Å; S181-A183 VanDerWaalsContact O-N 3.09Å
184	F	95.4	Very high	96.8	Very high	62 Å²	62	64.2 Å²	64.2	27%	0.272	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-96.4	0.6	-176.6	-55.9	-29.5	0	0	0	113.8	D182 L186 I230 Y281 I285	D182-F184 PolarHBondContact O-N 3.33Å; F184-L186 PolarHBondContact O-N 2.85Å; F184-I230 HydrophobicContact CB-CD1 3.85Å; F184-I230 HydrophobicContact CD1-CD1 3.95Å; F184-I230 HydrophobicContact CG-CD1 4.18Å; F184-Y281 HydrophobicContact CE2-CD2 4.26Å; F184-Y281 HydrophobicContact CZ-CD2 4.36Å; F184-Y281 WeakPolarHBondContact CZ-O 3.42Å; F184-I285 HydrophobicContact CZ-CB 4.13Å
185	A	96.9	Very high	96.7	Very high	34 Å²	34	69 Å²	69	28%	0.281	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-80	9.8	169.3	0	0	0	0	0	113.7	D182	D182-A185 HydrophobicContact CB-CB 4.38Å; D182-A185 PolarHBondContact O-N 3.07Å; D182-A185 VanDerWaalsContact O-N 3.16Å; D182-A185 WeakPolarHBondContact OD2-CB 3.33Å
186	L	97.9	Very high	96.6	Very high	7 Å²	7	70.6 Å²	70.6	4%	0.037	37%	0.365	C	S	.	.			trans	-50.9	141.5	-177.8	73.3	85.1	0	0	0	112.6	L174 E176 F184 T188 M218 N220 I230	L174-L186 HydrophobicContact CD1-CD2 4.26Å; E176-L186 HydrophobicContact CG-CB 4.34Å; E176-L186 WeakPolarHBondContact OE1-CB 3.45Å; F184-L186 PolarHBondContact O-N 2.85Å; L186-T188 WeakPolarHBondContact CD1-O 3.34Å; L186-M218 HydrophobicContact CD2-CB 4.08Å; L186-N220 HydrophobicContact CD1-CB 3.94Å; L186-I230 HydrophobicContact CD1-CG1 4.47Å; L186-I230 HydrophobicContact CD2-CD1 3.69Å; L186-I230 HydrophobicContact CD2-CG1 3.95Å; L186-I230 HydrophobicContact CD2-CG2 4Å; L186-I230 HydrophobicContact CG-CD1 4.06Å; L186-I230 HydrophobicContact CG-CG1 4.22Å
187	K	98.4	Very high	96.7	Very high	116 Å²	116	70.4 Å²	70.4	50%	0.504	36%	0.364	S	S	.	.			trans	-103.6	-19.1	-176.7	-58.4	-57.8	-177.4	-172.2	0	113.2	E176 R189	E176-K187 PolarHBondContact OE1-N 2.98Å; E176-K187 WeakPolarHBondContact OE2-CA 3.35Å; E176-K187 WeakPolarHBondContact OE2-CB 3.34Å; E176-K187 PolarHBondContact OE2-N 3.4Å; K187-R189 WeakPolarHBondContact O-CG 3.03Å; K187-R189 PolarHBondContact O-N 2.94Å
188	T	98.8	Very high	96.7	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.338	C	S	.	.			trans	-55.2	124.7	174.4	-59.2	0	0	0	0	109.9	E176 L186 I199 N200 S202 A219 N220 F263	E176-T188 WeakPolarHBondContact OE1-CB 3.38Å; E176-T188 PolarHBondContact OE1-N 3.35Å; E176-T188 PolarHBondContact OE1-OG1 3.48Å; E176-T188 PolarHBondContact OE2-N 3.25Å; L186-T188 WeakPolarHBondContact CD1-O 3.34Å; T188-I199 HydrophobicContact CG2-CG2 3.7Å; T188-N200 WeakPolarHBondContact CA-O 3.29Å; T188-S202 PolarHBondContact OG1-N 2.89Å; T188-S202 PolarHBondContact OG1-O 3.01Å; T188-A219 HydrophobicContact CG2-CB 3.83Å; T188-N220 PolarHBondContact O-N 2.97Å; T188-F263 HydrophobicContact CG2-CD2 4.43Å
189	R	98.5	Very high	96.9	Very high	98 Å²	98	59.9 Å²	59.9	37%	0.37	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	152.7	-175.4	-52.3	-161.9	-176.9	-70.2	10.3	111	K187 I199 N200 N220	K187-R189 WeakPolarHBondContact O-CG 3.03Å; K187-R189 PolarHBondContact O-N 2.94Å; R189-I199 VanDerWaalsContact O-CA 3.25Å; R189-I199 WeakPolarHBondContact O-CA 3.28Å; R189-N200 PolarHBondContact N-O 3.48Å; R189-N200 PolarHBondContact O-N 2.99Å; R189-N220 WeakPolarHBondContact CA-O 3.5Å
190	A	98.8	Very high	97.2	Very high	2 Å²	2	62.5 Å²	62.5	2%	0.017	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	104.9	172.5	0	0	0	0	0	109.1	F197 V198 I199 A219 N220 V221 F233	A190-F197 HydrophobicContact CB-CB 4.34Å; A190-F197 HydrophobicContact CB-CD1 4.03Å; A190-V198 WeakPolarHBondContact CA-O 3.48Å; A190-I199 HydrophobicContact CB-CD1 4.35Å; A190-I199 HydrophobicContact CB-CG1 3.91Å; A190-A219 HydrophobicContact CB-CB 3.9Å; A190-N220 PolarHBondContact N-O 3.14Å; A190-V221 HydrophobicContact CB-CG1 3.82Å; A190-V221 WeakPolarHBondContact O-CA 3.4Å; A190-F233 HydrophobicContact CB-CE1 4.5Å; A190-F233 HydrophobicContact CB-CE2 3.59Å; A190-F233 HydrophobicContact CB-CZ 3.57Å
191	E	98.6	Very high	97.4	Very high	111 Å²	111	62.1 Å²	62.1	52%	0.519	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	129.5	-178	-66	-178.6	-173.6	0	0	110.3	H193 F197 V198	E191-H193 PolarHBondContact O-CD2 2.83Å; E191-H193 PolarHBondContact O-N 2.72Å; E191-F197 CarbonylContact O-C 3.49Å; E191-F197 WeakPolarHBondContact O-CA 3.32Å; E191-V198 PolarHBondContact N-O 3.41Å; E191-V198 PolarHBondContact O-N 3.36Å
192	K	98.2	Very high	97.5	Very high	117 Å²	117	60.2 Å²	60.2	51%	0.509	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	124.5	-178.3	-170.6	166.1	-176.8	162.4	0	111	K194 F197 E270	K192-K194 WeakPolarHBondContact CE-O 3.2Å; K192-F197 HydrophobicContact CB-CD1 4.05Å; K192-F197 HydrophobicContact CB-CE1 3.64Å; K192-F197 HydrophobicContact CB-CZ 4Å; K192-F197 HydrophobicContact CD-CE1 4.4Å; K192-F197 HydrophobicContact CD-CE2 4.39Å; K192-F197 HydrophobicContact CD-CZ 3.89Å; K192-F197 HydrophobicContact CG-CE1 4.12Å; K192-F197 HydrophobicContact CG-CE2 4.31Å; K192-F197 HydrophobicContact CG-CZ 3.95Å; K192-E270 WeakPolarHBondContact CE-OE2 3.46Å; K192-E270 IonicContact NZ-OE1 3.64Å; K192-E270 PolarHBondContact NZ-OE1 3.43Å; K192-E270 IonicContact NZ-OE2 2.67Å; K192-E270 PolarHBondContact NZ-OE2 3.03Å
193	H	97	Very high	97.7	Very high	76 Å²	76	55.1 Å²	55.1	35%	0.352	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	92.8	172.9	-72.8	-93.7	0	0	0	110	E191 D195 Y196 V198	E191-H193 PolarHBondContact O-CD2 2.83Å; E191-H193 PolarHBondContact O-N 2.72Å; H193-D195 PolarHBondContact O-N 3.46Å; H193-Y196 CarbonylContact C-O 3.49Å; H193-Y196 WeakPolarHBondContact CA-O 3.22Å; H193-Y196 HydrophobicContact CB-CD1 4.43Å; H193-Y196 HydrophobicContact CB-CD2 4.11Å; H193-Y196 HydrophobicContact CB-CE1 3.99Å; H193-Y196 HydrophobicContact CB-CE2 3.64Å; H193-Y196 HydrophobicContact CB-CG 4.48Å; H193-Y196 PolarHBondContact N-O 2.9Å; H193-Y196 WeakPolarHBondContact O-CD1 3.21Å; H193-Y196 WeakPolarHBondContact O-CE1 3.41Å; H193-Y196 PolarHBondContact O-N 2.97Å; H193-Y196 VanDerWaalsContact O-N 3.1Å; H193-Y196 VanDerWaalsContact O-O 3.08Å; H193-V198 WeakPolarHBondContact CD2-CG2 3.37Å
194	K	95.3	Very high	98	Very high	189 Å²	189	56.1 Å²	56.1	82%	0.822	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	-104.2	-177.4	-57.9	179.5	-179.6	179.6	0	111.8	K192	K192-K194 WeakPolarHBondContact CE-O 3.2Å
195	D	95.9	Very high	98.1	Very high	110 Å²	110	60.1 Å²	60.1	59%	0.588	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	4.5	-174.5	61.5	-35.1	0	0	0	113.7	H193 E270	H193-D195 PolarHBondContact O-N 3.46Å; D195-E270 WeakPolarHBondContact O-CB 3.3Å; D195-E270 PolarHBondContact O-N 2.69Å
196	Y	98.2	Very high	98.2	Very high	66 Å²	66	58.6 Å²	58.6	26%	0.259	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	169.6	174.4	67.4	-84.7	0	0	0	111.6	H193 V198 K267 V268	H193-Y196 CarbonylContact C-O 3.49Å; H193-Y196 WeakPolarHBondContact CA-O 3.22Å; H193-Y196 HydrophobicContact CB-CD1 4.43Å; H193-Y196 HydrophobicContact CB-CD2 4.11Å; H193-Y196 HydrophobicContact CB-CE1 3.99Å; H193-Y196 HydrophobicContact CB-CE2 3.64Å; H193-Y196 HydrophobicContact CB-CG 4.48Å; H193-Y196 PolarHBondContact N-O 2.9Å; H193-Y196 WeakPolarHBondContact O-CD1 3.21Å; H193-Y196 WeakPolarHBondContact O-CE1 3.41Å; H193-Y196 PolarHBondContact O-N 2.97Å; H193-Y196 VanDerWaalsContact O-N 3.1Å; H193-Y196 VanDerWaalsContact O-O 3.08Å; Y196-V198 HydrophobicContact CD2-CG2 4.09Å; Y196-V198 HydrophobicContact CE2-CG2 3.57Å; Y196-K267 HydrophobicContact CD2-CB 3.98Å; Y196-K267 HydrophobicContact CD2-CD 4.34Å; Y196-K267 HydrophobicContact CD2-CG 3.99Å; Y196-K267 HydrophobicContact CE2-CB 4.28Å; Y196-K267 HydrophobicContact CE2-CD 3.85Å; Y196-K267 HydrophobicContact CE2-CG 3.78Å; Y196-V268 CarbonylContact C-O 3.57Å; Y196-V268 VanDerWaalsContact CA-O 3.3Å; Y196-V268 WeakPolarHBondContact CA-O 3.45Å; Y196-V268 WeakPolarHBondContact CB-O 3.11Å
197	F	98.7	Very high	98.3	Very high	6 Å²	6	59.4 Å²	59.4	3%	0.026	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	145.7	171.2	-72.3	-101	0	0	0	109.8	A190 E191 K192 V221 F233 K267 V268 E270 I273	A190-F197 HydrophobicContact CB-CB 4.34Å; A190-F197 HydrophobicContact CB-CD1 4.03Å; E191-F197 CarbonylContact O-C 3.49Å; E191-F197 WeakPolarHBondContact O-CA 3.32Å; K192-F197 HydrophobicContact CB-CD1 4.05Å; K192-F197 HydrophobicContact CB-CE1 3.64Å; K192-F197 HydrophobicContact CB-CZ 4Å; K192-F197 HydrophobicContact CD-CE1 4.4Å; K192-F197 HydrophobicContact CD-CE2 4.39Å; K192-F197 HydrophobicContact CD-CZ 3.89Å; K192-F197 HydrophobicContact CG-CE1 4.12Å; K192-F197 HydrophobicContact CG-CE2 4.31Å; K192-F197 HydrophobicContact CG-CZ 3.95Å; F197-V221 HydrophobicContact CD1-CG1 4.02Å; F197-V221 HydrophobicContact CE1-CB 4.2Å; F197-V221 HydrophobicContact CE1-CG1 3.63Å; F197-V221 HydrophobicContact CZ-CG1 4.46Å; F197-F233 HydrophobicContact CB-CE1 4.05Å; F197-F233 HydrophobicContact CB-CZ 4.43Å; F197-F233 HydrophobicContact CD1-CE1 4.3Å; F197-F233 HydrophobicContact CD1-CZ 4.1Å; F197-F233 AromaticContact CD2-CE1 3.85Å; F197-F233 HydrophobicContact CD2-CE1 3.85Å; F197-F233 HydrophobicContact CD2-CZ 4.42Å; F197-F233 HydrophobicContact CE1-CZ 4.47Å; F197-F233 HydrophobicContact CE2-CE1 4.39Å; F197-F233 AromaticContact CG-CE1 3.8Å; F197-F233 HydrophobicContact CG-CE1 3.8Å; F197-F233 HydrophobicContact CG-CZ 4.06Å; F197-K267 CarbonylContact O-C 3.49Å; F197-K267 WeakPolarHBondContact O-CA 3.49Å; F197-V268 PolarHBondContact N-O 3.4Å; F197-V268 PolarHBondContact O-N 3.2Å; F197-E270 HydrophobicContact CE2-CB 4.33Å; F197-E270 HydrophobicContact CE2-CG 4.21Å; F197-I273 HydrophobicContact CD2-CD1 4.43Å; F197-I273 HydrophobicContact CE2-CD1 3.72Å; F197-I273 HydrophobicContact CZ-CD1 4.2Å
198	V	98.8	Very high	98.3	Very high	12 Å²	12	54 Å²	54	7%	0.073	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	116.3	169	179.1	0	0	0	0	107.8	A190 E191 H193 Y196 N265 V266 K267	A190-V198 WeakPolarHBondContact CA-O 3.48Å; E191-V198 PolarHBondContact N-O 3.41Å; E191-V198 PolarHBondContact O-N 3.36Å; H193-V198 WeakPolarHBondContact CD2-CG2 3.37Å; Y196-V198 HydrophobicContact CD2-CG2 4.09Å; Y196-V198 HydrophobicContact CE2-CG2 3.57Å; V198-N265 HydrophobicContact CG1-CB 4.13Å; V198-V266 CarbonylContact C-O 3.1Å; V198-V266 WeakPolarHBondContact CA-O 3.45Å; V198-K267 HydrophobicContact CG2-CG 4.44Å
199	I	98.9	Very high	98.2	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	127.7	-179.2	-55.2	-169.8	0	0	0	109.9	T188 R189 A190 A219 F233 M235 F263 V266 V268	T188-I199 HydrophobicContact CG2-CG2 3.7Å; R189-I199 VanDerWaalsContact O-CA 3.25Å; R189-I199 WeakPolarHBondContact O-CA 3.28Å; A190-I199 HydrophobicContact CB-CD1 4.35Å; A190-I199 HydrophobicContact CB-CG1 3.91Å; I199-A219 HydrophobicContact CD1-CB 4.41Å; I199-A219 HydrophobicContact CG2-CB 4.26Å; I199-F233 HydrophobicContact CD1-CB 4.07Å; I199-F233 HydrophobicContact CD1-CD1 4.19Å; I199-F233 HydrophobicContact CD1-CD2 3.9Å; I199-F233 HydrophobicContact CD1-CE2 4.38Å; I199-F233 HydrophobicContact CD1-CG 3.79Å; I199-M235 HydrophobicContact CB-CE 4.49Å; I199-M235 HydrophobicContact CD1-CE 3.86Å; I199-F263 HydrophobicContact CG2-CB 4.12Å; I199-F263 HydrophobicContact CG2-CD1 4.31Å; I199-F263 HydrophobicContact CG2-CG 4.19Å; I199-V266 HydrophobicContact CB-CB 4.32Å; I199-V266 PolarHBondContact N-O 3.01Å; I199-V266 PolarHBondContact O-N 2.92Å; I199-V268 HydrophobicContact CD1-CB 4.34Å; I199-V268 HydrophobicContact CD1-CG2 3.74Å; I199-V268 HydrophobicContact CG1-CG2 4.11Å
200	N	98.9	Very high	98.2	Very high	56 Å²	56	53.1 Å²	53.1	30%	0.299	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	137	176.3	-81.4	-68.1	0	0	0	110.6	T188 R189 F263 N265	T188-N200 WeakPolarHBondContact CA-O 3.29Å; R189-N200 PolarHBondContact N-O 3.48Å; R189-N200 PolarHBondContact O-N 2.99Å; N200-F263 WeakPolarHBondContact CA-O 3.36Å; N200-N265 PolarHBondContact ND2-OD1 3.42Å; N200-N265 VanDerWaalsContact ND2-OD1 3.09Å; N200-N265 PolarHBondContact OD1-N 3.3Å
201	G	98.6	Very high	98.2	Very high	32 Å²	32	56.1 Å²	56.1	33%	0.33	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	146	-153.9	176.9	0	0	0	0	0	112.8	F263	G201-F263 PolarHBondContact N-O 2.86Å; G201-F263 VanDerWaalsContact N-O 3.09Å; G201-F263 PolarHBondContact O-N 3.26Å
202	S	98.7	Very high	98.2	Very high	44 Å²	44	50.9 Å²	50.9	31%	0.308	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	148.4	179.1	62.1	0	0	0	0	110.8	E176 T188 L261	E176-S202 VanDerWaalsContact CG-O 3.28Å; E176-S202 WeakPolarHBondContact CG-O 3.49Å; T188-S202 PolarHBondContact OG1-N 2.89Å; T188-S202 PolarHBondContact OG1-O 3.01Å; S202-L261 CarbonylContact C-O 3.51Å; S202-L261 WeakPolarHBondContact CA-O 3.27Å; S202-L261 WeakPolarHBondContact CB-O 3.26Å
203	K	98.9	Very high	98.2	Very high	1 Å²	1	46.3 Å²	46.3	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	153.2	170.2	-65.3	-72.8	173.4	-159	0	109.9	C173 L174 S175 E176 I206 M218 P260 L261 F263	C173-K203 HydrophobicContact CB-CB 4.48Å; C173-K203 HydrophobicContact CB-CD 4.44Å; C173-K203 HydrophobicContact CB-CG 4.05Å; C173-K203 WeakPolarHBondContact O-CE 3.41Å; L174-K203 WeakPolarHBondContact O-CD 3.3Å; L174-K203 PolarHBondContact O-NZ 3.16Å; S175-K203 WeakPolarHBondContact O-CA 3.47Å; S175-K203 WeakPolarHBondContact O-CD 3.46Å; E176-K203 HydrophobicContact CG-CD 3.96Å; E176-K203 IonicContact OE1-NZ 2.64Å; E176-K203 PolarHBondContact OE1-NZ 2.82Å; K203-I206 HydrophobicContact CB-CD1 3.93Å; K203-I206 HydrophobicContact CB-CG1 3.85Å; K203-M218 WeakPolarHBondContact CE-O 3.5Å; K203-M218 PolarHBondContact NZ-O 3.33Å; K203-P260 CarbonylContact O-C 3.5Å; K203-P260 VanDerWaalsContact O-CA 3.3Å; K203-P260 WeakPolarHBondContact O-CA 3.27Å; K203-L261 HydrophobicContact CB-CB 4.22Å; K203-L261 HydrophobicContact CB-CD1 4.47Å; K203-L261 PolarHBondContact N-O 3.5Å; K203-L261 PolarHBondContact O-N 3.31Å; K203-F263 HydrophobicContact CB-CE2 4.08Å; K203-F263 HydrophobicContact CG-CE2 3.55Å; K203-F263 HydrophobicContact CG-CZ 3.97Å
204	M	98.3	Very high	98.3	Very high	40 Å²	40	42.7 Å²	42.7	20%	0.197	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	147.9	-175.9	-166.7	64.2	75.9	0	0	110	S175 A177 I206 P260	S175-M204 PolarHBondContact O-N 2.95Å; A177-M204 HydrophobicContact CB-CE 4.24Å; M204-I206 WeakPolarHBondContact O-CD1 3.49Å; M204-P260 HydrophobicContact CE-CB 4.35Å; M204-P260 HydrophobicContact SD-CB 3.85Å; M204-P260 HydrophobicContact SD-CG 3.77Å
205	W	98.4	Very high	98.5	Very high	145 Å²	145	33.7 Å²	33.7	55%	0.549	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	67.6	32.4	177	-40.6	113.8	0	0	0	114.5	S207 E248 T258	W205-S207 PolarHBondContact O-N 3.24Å; W205-S207 VanDerWaalsContact O-N 3.14Å; W205-E248 HydrophobicContact CE3-CG 4.22Å; W205-E248 HydrophobicContact CZ3-CG 3.94Å; W205-T258 HydrophobicContact CB-CG2 4.31Å; W205-T258 HydrophobicContact CE3-CG2 4.43Å
206	I	98.8	Very high	98.6	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.015	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	104.4	-174.5	-52.5	-45.6	0	0	0	110.3	C173 K203 M204 A209 T258 C259 L261	C173-I206 HydrophobicContact CB-CD1 4.09Å; C173-I206 HydrophobicContact CB-CG1 4.41Å; K203-I206 HydrophobicContact CB-CD1 3.93Å; K203-I206 HydrophobicContact CB-CG1 3.85Å; M204-I206 WeakPolarHBondContact O-CD1 3.49Å; I206-A209 HydrophobicContact CB-CB 4.21Å; I206-A209 HydrophobicContact CG2-CB 4.02Å; I206-A209 WeakPolarHBondContact O-CB 3.31Å; I206-T258 WeakPolarHBondContact O-CA 3.28Å; I206-C259 WeakPolarHBondContact CB-O 3.2Å; I206-C259 PolarHBondContact N-O 3.21Å; I206-C259 PolarHBondContact O-N 3.35Å; I206-L261 HydrophobicContact CB-CD1 4.26Å; I206-L261 HydrophobicContact CB-CG 4.26Å; I206-L261 HydrophobicContact CG1-CD1 3.87Å; I206-L261 HydrophobicContact CG1-CG 3.92Å; I206-L261 HydrophobicContact CG2-CD1 4.13Å
207	S	98.8	Very high	98.7	Very high	24 Å²	24	25.3 Å²	25.3	17%	0.168	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	147.3	174.1	-66	0	0	0	0	111.7	S171 W205 A209 S257	S171-S207 PolarHBondContact OG-O 2.93Å; W205-S207 PolarHBondContact O-N 3.24Å; W205-S207 VanDerWaalsContact O-N 3.14Å; S207-A209 PolarHBondContact O-N 2.98Å; S207-A209 VanDerWaalsContact O-N 3.17Å; S207-S257 CarbonylContact C-O 3.58Å; S207-S257 WeakPolarHBondContact CA-O 3.24Å
208	N	98.4	Very high	98.7	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.016	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	-3	-178.3	-58	-15.9	0	0	0	115.8	L136 I169 E210 H211 A212 S257	L136-N208 HydrophobicContact CD1-CB 4.38Å; L136-N208 WeakPolarHBondContact CD1-OD1 3.35Å; I169-N208 HydrophobicContact CG2-CB 3.73Å; N208-E210 PolarHBondContact O-N 3.31Å; N208-E210 VanDerWaalsContact O-N 3.09Å; N208-H211 PolarHBondContact O-N 3.14Å; N208-A212 WeakPolarHBondContact O-CB 3.22Å; N208-A212 PolarHBondContact O-N 2.87Å; N208-S257 VanDerWaalsContact CA-OG 3.31Å; N208-S257 WeakPolarHBondContact CA-OG 3.47Å; N208-S257 PolarHBondContact N-O 2.92Å
209	A	98.5	Very high	98.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-34.8	-171.5	0	0	0	0	0	114.5	S171 I206 S207 H211 F215 R237 I244 S257 C259 L261	S171-A209 WeakPolarHBondContact OG-CA 3.42Å; S171-A209 PolarHBondContact OG-N 3Å; I206-A209 HydrophobicContact CB-CB 4.21Å; I206-A209 HydrophobicContact CG2-CB 4.02Å; I206-A209 WeakPolarHBondContact O-CB 3.31Å; S207-A209 PolarHBondContact O-N 2.98Å; S207-A209 VanDerWaalsContact O-N 3.17Å; A209-H211 PolarHBondContact O-N 3.22Å; A209-F215 HydrophobicContact CB-CE1 4.02Å; A209-R237 PolarHBondContact O-NH1 3.5Å; A209-I244 HydrophobicContact CB-CG2 4.22Å; A209-S257 PolarHBondContact N-OG 3.42Å; A209-C259 HydrophobicContact CB-CB 3.78Å; A209-L261 HydrophobicContact CB-CD2 4.18Å
210	E	97.9	Very high	98.7	Very high	79 Å²	79	24.9 Å²	24.9	37%	0.369	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-34	179.1	-172.4	168	-149.9	0	0	112.5	N208 R237 K247 S257	N208-E210 PolarHBondContact O-N 3.31Å; N208-E210 VanDerWaalsContact O-N 3.09Å; E210-R237 VanDerWaalsContact O-CZ 3.32Å; E210-R237 PolarHBondContact O-NH1 3.18Å; E210-R237 PolarHBondContact O-NH2 3.28Å; E210-K247 WeakPolarHBondContact OE2-CD 3.37Å; E210-K247 IonicContact OE2-NZ 3.54Å; E210-K247 PolarHBondContact OE2-NZ 3.46Å; E210-S257 WeakPolarHBondContact CB-OG 3.5Å; E210-S257 PolarHBondContact N-OG 3.14Å; E210-S257 VanDerWaalsContact OE2-CB 3.31Å; E210-S257 WeakPolarHBondContact OE2-CB 3.33Å
211	H	98.4	Very high	98.7	Very high	65 Å²	65	24 Å²	24	30%	0.301	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-8.5	-177	-57.1	-74	0	0	0	113.7	I169 N208 A209 G213	I169-H211 HydrophobicContact CD1-CB 3.73Å; N208-H211 PolarHBondContact O-N 3.14Å; A209-H211 PolarHBondContact O-N 3.22Å; H211-G213 PolarHBondContact O-N 3.36Å
212	A	98.8	Very high	98.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	129.6	-174.1	0	0	0	0	0	112.4	I169 S171 N208 F215 R237	I169-A212 HydrophobicContact CG2-CB 4.44Å; I169-A212 CarbonylContact O-C 3.59Å; I169-A212 VanDerWaalsContact O-CA 3.22Å; I169-A212 WeakPolarHBondContact O-CA 3.23Å; S171-A212 WeakPolarHBondContact OG-CB 3.35Å; N208-A212 WeakPolarHBondContact O-CB 3.22Å; N208-A212 PolarHBondContact O-N 2.87Å; A212-F215 HydrophobicContact CB-CE1 4Å; A212-F215 HydrophobicContact CB-CE2 4.21Å; A212-F215 HydrophobicContact CB-CZ 3.77Å; A212-R237 VanDerWaalsContact O-CD 3.3Å; A212-R237 WeakPolarHBondContact O-CD 3.39Å; A212-R237 PolarHBondContact O-NH1 3.45Å
213	G	98.8	Very high	98.6	Very high	21 Å²	21	26.4 Å²	26.4	22%	0.216	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-20.1	171.3	0	0	0	0	0	113	I169 H211 R237	I169-G213 PolarHBondContact O-N 3.27Å; H211-G213 PolarHBondContact O-N 3.36Å; G213-R237 PolarHBondContact O-N 3.49Å
214	V	98.9	Very high	98.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	143.4	178.4	66.9	0	0	0	0	111.6	F148 Y160 L164 M168 I169 G170 S171 I234 M235	F148-V214 HydrophobicContact CZ-CG2 4.27Å; Y160-V214 HydrophobicContact CD1-CG2 4.12Å; Y160-V214 HydrophobicContact CE1-CG2 3.88Å; L164-V214 HydrophobicContact CD2-CG1 3.94Å; M168-V214 HydrophobicContact CG-CG1 4.13Å; M168-V214 HydrophobicContact SD-CB 3.7Å; M168-V214 HydrophobicContact SD-CG1 3.55Å; M168-V214 VanDerWaalsContact SD-CG1 3.55Å; I169-V214 PolarHBondContact O-N 3.17Å; G170-V214 CarbonylContact C-O 3.37Å; G170-V214 WeakPolarHBondContact CA-O 3.49Å; S171-V214 PolarHBondContact N-O 3.28Å; V214-I234 HydrophobicContact CG2-CG2 3.52Å; V214-M235 CarbonylContact C-O 3.48Å; V214-M235 WeakPolarHBondContact CA-O 3.46Å
215	F	98.9	Very high	98.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.3	180	-61.8	-95.2	0	0	0	109.5	S171 A209 A212 V217 M235 R237 L242 I244 L261	S171-F215 WeakPolarHBondContact O-CA 3.35Å; A209-F215 HydrophobicContact CB-CE1 4.02Å; A212-F215 HydrophobicContact CB-CE1 4Å; A212-F215 HydrophobicContact CB-CE2 4.21Å; A212-F215 HydrophobicContact CB-CZ 3.77Å; F215-V217 HydrophobicContact CB-CG2 3.89Å; F215-M235 HydrophobicContact CB-CB 4.32Å; F215-M235 PolarHBondContact N-O 3.5Å; F215-M235 PolarHBondContact O-N 3.37Å; F215-R237 HydrophobicContact CE2-CB 3.99Å; F215-R237 HydrophobicContact CE2-CG 4.13Å; F215-L242 HydrophobicContact CD2-CD2 3.84Å; F215-L242 HydrophobicContact CE2-CD2 4Å; F215-L242 HydrophobicContact CG-CD2 4.46Å; F215-I244 HydrophobicContact CE2-CD1 4.23Å; F215-I244 HydrophobicContact CZ-CD1 3.69Å; F215-I244 HydrophobicContact CZ-CG1 4.05Å; F215-L261 HydrophobicContact CD1-CD1 3.71Å; F215-L261 HydrophobicContact CE1-CD1 3.97Å; F215-L261 HydrophobicContact CE1-CD2 4.07Å
216	L	98.9	Very high	98.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	100.1	170.1	-63.4	-175	0	0	0	108.7	I144 L147 F148 S171 C173 F233 I234 L274	I144-L216 HydrophobicContact CD1-CD1 3.98Å; I144-L216 HydrophobicContact CD1-CG 4.24Å; I144-L216 HydrophobicContact CG2-CD1 4.39Å; L147-L216 HydrophobicContact CB-CD1 3.75Å; L147-L216 HydrophobicContact CD1-CD1 3.47Å; L147-L216 VanDerWaalsContact CD1-CD1 3.47Å; L147-L216 HydrophobicContact CG-CD1 4.22Å; F148-L216 HydrophobicContact CD2-CD1 4.42Å; F148-L216 HydrophobicContact CE2-CD1 4.11Å; F148-L216 HydrophobicContact CE2-CD2 3.84Å; F148-L216 HydrophobicContact CE2-CG 4.26Å; F148-L216 HydrophobicContact CZ-CD2 3.73Å; S171-L216 PolarHBondContact O-N 3.09Å; C173-L216 WeakPolarHBondContact CB-O 3.27Å; C173-L216 PolarHBondContact N-O 3.13Å; L216-F233 CarbonylContact C-O 3.57Å; L216-F233 WeakPolarHBondContact CA-O 3.43Å; L216-I234 HydrophobicContact CD2-CB 4.38Å; L216-I234 HydrophobicContact CD2-CG1 3.88Å; L216-I234 HydrophobicContact CD2-CG2 4.38Å; L216-L274 HydrophobicContact CD1-CD2 4.14Å; L216-L274 HydrophobicContact CD2-CD2 3.95Å
217	V	98.9	Very high	98.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	120.9	-168.9	-174.7	0	0	0	0	111.1	C173 F215 F233 M235 F263	C173-V217 HydrophobicContact CB-CB 4.43Å; C173-V217 HydrophobicContact CB-CG2 4.09Å; F215-V217 HydrophobicContact CB-CG2 3.89Å; V217-F233 PolarHBondContact N-O 2.83Å; V217-F233 PolarHBondContact O-N 2.89Å; V217-M235 HydrophobicContact CG2-CB 4.19Å; V217-M235 HydrophobicContact CG2-CE 4.36Å; V217-M235 HydrophobicContact CG2-SD 4.38Å; V217-F263 HydrophobicContact CG1-CE1 4.06Å; V217-F263 HydrophobicContact CG1-CZ 3.88Å; V217-F263 HydrophobicContact CG2-CE1 3.95Å; V217-F263 HydrophobicContact CG2-CZ 4.08Å
218	M	98.9	Very high	98.3	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	114.1	170.7	-83.6	64.1	72.9	0	0	110	F172 C173 L174 L186 K203 I230 T231 C232 A284	F172-M218 HydrophobicContact CD1-CE 4.18Å; F172-M218 HydrophobicContact CD2-CE 3.82Å; F172-M218 HydrophobicContact CE1-CE 3.66Å; F172-M218 HydrophobicContact CE2-CE 3.25Å; F172-M218 HydrophobicContact CE2-SD 4.14Å; F172-M218 HydrophobicContact CG-CE 4.27Å; F172-M218 HydrophobicContact CZ-CE 3.17Å; F172-M218 HydrophobicContact CZ-SD 4.44Å; C173-M218 PolarHBondContact O-N 3.32Å; L174-M218 HydrophobicContact CB-CE 3.58Å; L174-M218 HydrophobicContact CD1-CB 3.91Å; L174-M218 HydrophobicContact CD1-CE 3.98Å; L174-M218 HydrophobicContact CD1-CG 4.03Å; L174-M218 HydrophobicContact CG-CE 4.29Å; L186-M218 HydrophobicContact CD2-CB 4.08Å; K203-M218 WeakPolarHBondContact CE-O 3.5Å; K203-M218 PolarHBondContact NZ-O 3.33Å; M218-I230 HydrophobicContact CB-CG2 3.99Å; M218-I230 HydrophobicContact CG-CG2 4.04Å; M218-T231 WeakPolarHBondContact CA-O 3.3Å; M218-C232 HydrophobicContact SD-CB 4.38Å; M218-A284 HydrophobicContact CE-CB 4.35Å; M218-A284 HydrophobicContact CG-CB 4.36Å
219	A	98.8	Very high	98.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	150.4	177.2	0	0	0	0	0	110.6	T188 A190 I199 T231 F233	T188-A219 HydrophobicContact CG2-CB 3.83Å; A190-A219 HydrophobicContact CB-CB 3.9Å; I199-A219 HydrophobicContact CD1-CB 4.41Å; I199-A219 HydrophobicContact CG2-CB 4.26Å; A219-T231 PolarHBondContact N-O 2.96Å; A219-T231 PolarHBondContact O-N 3.38Å; A219-F233 HydrophobicContact CB-CD2 4.07Å; A219-F233 HydrophobicContact CB-CE2 4.01Å
220	N	98.8	Very high	98.3	Very high	7 Å²	7	37.1 Å²	37.1	4%	0.037	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	117.9	-176.7	-160	-30	0	0	0	111.1	L186 T188 R189 A190 D222 G226 G229	L186-N220 HydrophobicContact CD1-CB 3.94Å; T188-N220 PolarHBondContact O-N 2.97Å; R189-N220 WeakPolarHBondContact CA-O 3.5Å; A190-N220 PolarHBondContact N-O 3.14Å; N220-D222 PolarHBondContact OD1-N 3.05Å; N220-D222 PolarHBondContact OD1-O 3.12Å; N220-G226 PolarHBondContact ND2-O 2.99Å; N220-G229 VanDerWaalsContact OD1-CA 3.24Å; N220-G229 WeakPolarHBondContact OD1-CA 3.37Å; N220-G229 PolarHBondContact OD1-O 3.4Å
221	V	98.7	Very high	98.3	Very high	37 Å²	37	33.3 Å²	33.3	22%	0.224	19%	0.191	C	C	.	.	S	Bend	trans	-87.5	-19.3	177.1	-57	0	0	0	0	113.4	A190 F197 G229 F233 V277	A190-V221 HydrophobicContact CB-CG1 3.82Å; A190-V221 WeakPolarHBondContact O-CA 3.4Å; F197-V221 HydrophobicContact CD1-CG1 4.02Å; F197-V221 HydrophobicContact CE1-CB 4.2Å; F197-V221 HydrophobicContact CE1-CG1 3.63Å; F197-V221 HydrophobicContact CZ-CG1 4.46Å; V221-G229 VanDerWaalsContact CG2-O 3.3Å; V221-G229 WeakPolarHBondContact CG2-O 3.38Å; V221-G229 PolarHBondContact N-O 2.92Å; V221-F233 HydrophobicContact CG1-CE2 4.09Å; V221-F233 HydrophobicContact CG1-CZ 3.7Å; V221-V277 HydrophobicContact CG2-CG1 3.6Å
222	D	98.1	Very high	98.4	Very high	66 Å²	66	30.2 Å²	30.2	35%	0.353	18%	0.176	S	C	.	.			trans	-142.4	87	178.3	-178.7	2.9	0	0	0	109.8	N220 S224 A225	N220-D222 PolarHBondContact OD1-N 3.05Å; N220-D222 PolarHBondContact OD1-O 3.12Å; D222-S224 PolarHBondContact O-N 2.82Å; D222-S224 VanDerWaalsContact O-N 3.14Å; D222-S224 WeakPolarHBondContact OD1-CB 3.23Å; D222-S224 PolarHBondContact OD1-N 2.68Å; D222-S224 PolarHBondContact OD1-OG 3.43Å; D222-A225 HydrophobicContact CB-CB 4.14Å; D222-A225 PolarHBondContact O-N 3.2Å; D222-A225 VanDerWaalsContact O-N 3.08Å; D222-A225 PolarHBondContact OD1-N 3.16Å; D222-A225 WeakPolarHBondContact OD2-CB 3.48Å
223	P	97	Very high	98.4	Very high	62 Å²	62	30.2 Å²	30.2	40%	0.403	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-59.6	-25	179.1	-25.8	37.2	0	0	0	113.7	A225 G226	P223-A225 VanDerWaalsContact C-N 3.31Å; P223-G226 PolarHBondContact O-N 2.95Å
224	S	97.6	Very high	98.4	Very high	112 Å²	112	29.2 Å²	29.2	78%	0.783	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-72.6	-27	179.2	79.1	0	0	0	0	112.2	D222 G226	D222-S224 PolarHBondContact O-N 2.82Å; D222-S224 VanDerWaalsContact O-N 3.14Å; D222-S224 WeakPolarHBondContact OD1-CB 3.23Å; D222-S224 PolarHBondContact OD1-N 2.68Å; D222-S224 PolarHBondContact OD1-OG 3.43Å; S224-G226 PolarHBondContact O-N 3.46Å
225	A	97.4	Very high	98.4	Very high	41 Å²	41	29.2 Å²	29.2	34%	0.339	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-80.8	2.7	171.5	0	0	0	0	0	113.6	D222 P223 Y227 R228	D222-A225 HydrophobicContact CB-CB 4.14Å; D222-A225 PolarHBondContact O-N 3.2Å; D222-A225 VanDerWaalsContact O-N 3.08Å; D222-A225 PolarHBondContact OD1-N 3.16Å; D222-A225 WeakPolarHBondContact OD2-CB 3.48Å; P223-A225 VanDerWaalsContact C-N 3.31Å; A225-Y227 PolarHBondContact O-N 2.91Å; A225-R228 HydrophobicContact CB-CB 4.33Å; A225-R228 WeakPolarHBondContact O-CB 3.23Å; A225-R228 PolarHBondContact O-N 3.25Å
226	G	97.1	Very high	98.3	Very high	35 Å²	35	31.5 Å²	31.5	36%	0.361	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	59.7	-131.7	-178.9	0	0	0	0	0	111.9	N220 P223 S224 R228 G229	N220-G226 PolarHBondContact ND2-O 2.99Å; P223-G226 PolarHBondContact O-N 2.95Å; S224-G226 PolarHBondContact O-N 3.46Å; G226-R228 PolarHBondContact O-N 2.83Å; G226-G229 PolarHBondContact O-N 2.95Å; G226-G229 VanDerWaalsContact O-N 3.16Å
227	Y	97.2	Very high	98.3	Very high	94 Å²	94	35.2 Å²	35.2	37%	0.369	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-63.1	-21.8	-179.6	69.4	-97.4	0	0	0	113.5	A225 G229 I230 Y281	A225-Y227 PolarHBondContact O-N 2.91Å; Y227-G229 PolarHBondContact O-N 3Å; Y227-I230 WeakPolarHBondContact O-CB 3.03Å; Y227-I230 WeakPolarHBondContact O-CG1 3.27Å; Y227-I230 PolarHBondContact O-N 2.53Å; Y227-Y281 AromaticContact CD2-CD1 3.8Å; Y227-Y281 HydrophobicContact CD2-CD1 3.8Å; Y227-Y281 AromaticContact CD2-CD2 3.58Å; Y227-Y281 HydrophobicContact CD2-CD2 3.58Å; Y227-Y281 AromaticContact CD2-CE1 3.82Å; Y227-Y281 HydrophobicContact CD2-CE1 3.82Å; Y227-Y281 AromaticContact CD2-CE2 3.61Å; Y227-Y281 HydrophobicContact CD2-CE2 3.61Å; Y227-Y281 AromaticContact CD2-CG 3.67Å; Y227-Y281 HydrophobicContact CD2-CG 3.67Å; Y227-Y281 AromaticContact CD2-CZ 3.71Å; Y227-Y281 HydrophobicContact CE2-CD1 4.42Å; Y227-Y281 AromaticContact CE2-CD2 3.99Å; Y227-Y281 HydrophobicContact CE2-CD2 3.99Å; Y227-Y281 AromaticContact CE2-CE1 3.99Å; Y227-Y281 HydrophobicContact CE2-CE1 3.99Å; Y227-Y281 AromaticContact CE2-CE2 3.51Å; Y227-Y281 HydrophobicContact CE2-CE2 3.51Å; Y227-Y281 HydrophobicContact CE2-CG 4.41Å; Y227-Y281 AromaticContact CE2-CZ 3.49Å; Y227-Y281 VanDerWaalsContact CE2-CZ 3.49Å; Y227-Y281 VanDerWaalsContact O-CD1 3.22Å; Y227-Y281 WeakPolarHBondContact O-CD1 3.18Å
228	R	98.1	Very high	98.3	Very high	156 Å²	156	42.2 Å²	42.2	59%	0.589	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-77.1	-6.2	179.3	-60.9	-178.4	-179.5	175.4	-1.8	113.3	A225 G226 G278 Y281	A225-R228 HydrophobicContact CB-CB 4.33Å; A225-R228 WeakPolarHBondContact O-CB 3.23Å; A225-R228 PolarHBondContact O-N 3.25Å; G226-R228 PolarHBondContact O-N 2.83Å; R228-G278 CarbonylContact O-C 3.6Å; R228-G278 WeakPolarHBondContact O-CA 3.4Å; R228-G278 VanDerWaalsContact O-O 3.1Å; R228-Y281 HydrophobicContact CG-CE1 4.29Å
229	G	98.3	Very high	98.2	Very high	2 Å²	2	43.4 Å²	43.4	2%	0.021	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-90.2	-8.1	168.4	0	0	0	0	0	113.5	N220 V221 G226 Y227 T231	N220-G229 VanDerWaalsContact OD1-CA 3.24Å; N220-G229 WeakPolarHBondContact OD1-CA 3.37Å; N220-G229 PolarHBondContact OD1-O 3.4Å; V221-G229 VanDerWaalsContact CG2-O 3.3Å; V221-G229 WeakPolarHBondContact CG2-O 3.38Å; V221-G229 PolarHBondContact N-O 2.92Å; G226-G229 PolarHBondContact O-N 2.95Å; G226-G229 VanDerWaalsContact O-N 3.16Å; Y227-G229 PolarHBondContact O-N 3Å; G229-T231 PolarHBondContact O-N 2.91Å; G229-T231 PolarHBondContact O-OG1 3.46Å
230	I	98.8	Very high	98.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	127.1	-179	-61.9	170.6	0	0	0	109.7	F184 L186 M218 Y227 G278 H279 G280	F184-I230 HydrophobicContact CB-CD1 3.85Å; F184-I230 HydrophobicContact CD1-CD1 3.95Å; F184-I230 HydrophobicContact CG-CD1 4.18Å; L186-I230 HydrophobicContact CD1-CG1 4.47Å; L186-I230 HydrophobicContact CD2-CD1 3.69Å; L186-I230 HydrophobicContact CD2-CG1 3.95Å; L186-I230 HydrophobicContact CD2-CG2 4Å; L186-I230 HydrophobicContact CG-CD1 4.06Å; L186-I230 HydrophobicContact CG-CG1 4.22Å; M218-I230 HydrophobicContact CB-CG2 3.99Å; M218-I230 HydrophobicContact CG-CG2 4.04Å; Y227-I230 WeakPolarHBondContact O-CB 3.03Å; Y227-I230 WeakPolarHBondContact O-CG1 3.27Å; Y227-I230 PolarHBondContact O-N 2.53Å; I230-G278 CarbonylContact O-C 3.44Å; I230-G278 VanDerWaalsContact O-CA 3.26Å; I230-G278 WeakPolarHBondContact O-CA 3.32Å; I230-H279 PolarHBondContact O-N 3.21Å; I230-G280 VanDerWaalsContact O-CA 3.31Å; I230-G280 WeakPolarHBondContact O-CA 3.5Å; I230-G280 PolarHBondContact O-N 3.4Å
231	T	98.9	Very high	98.2	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.4	-179.3	-56.7	0	0	0	0	109.7	M218 A219 G229 F233 I273 G278	M218-T231 WeakPolarHBondContact CA-O 3.3Å; A219-T231 PolarHBondContact N-O 2.96Å; A219-T231 PolarHBondContact O-N 3.38Å; G229-T231 PolarHBondContact O-N 2.91Å; G229-T231 PolarHBondContact O-OG1 3.46Å; T231-F233 HydrophobicContact CG2-CD2 4.43Å; T231-F233 HydrophobicContact CG2-CE1 4.49Å; T231-F233 HydrophobicContact CG2-CE2 3.86Å; T231-F233 HydrophobicContact CG2-CZ 3.9Å; T231-I273 HydrophobicContact CG2-CG1 4.26Å; T231-I273 HydrophobicContact CG2-CG2 3.76Å; T231-G278 PolarHBondContact OG1-N 3.26Å
232	C	98.9	Very high	98.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	126.8	177	-172.8	0	0	0	0	109.9	M218 L274 Y283	M218-C232 HydrophobicContact SD-CB 4.38Å; C232-L274 HydrophobicContact CB-CB 4.31Å; C232-L274 PolarHBondContact O-N 3.47Å; C232-Y283 HydrophobicContact CB-CD2 4.36Å
233	F	98.9	Very high	98.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	137.5	179.4	-66.1	-89.2	0	0	0	110.7	A190 F197 I199 L216 V217 A219 V221 T231 V268 I273	A190-F233 HydrophobicContact CB-CE1 4.5Å; A190-F233 HydrophobicContact CB-CE2 3.59Å; A190-F233 HydrophobicContact CB-CZ 3.57Å; F197-F233 HydrophobicContact CB-CE1 4.05Å; F197-F233 HydrophobicContact CB-CZ 4.43Å; F197-F233 HydrophobicContact CD1-CE1 4.3Å; F197-F233 HydrophobicContact CD1-CZ 4.1Å; F197-F233 AromaticContact CD2-CE1 3.85Å; F197-F233 HydrophobicContact CD2-CE1 3.85Å; F197-F233 HydrophobicContact CD2-CZ 4.42Å; F197-F233 HydrophobicContact CE1-CZ 4.47Å; F197-F233 HydrophobicContact CE2-CE1 4.39Å; F197-F233 AromaticContact CG-CE1 3.8Å; F197-F233 HydrophobicContact CG-CE1 3.8Å; F197-F233 HydrophobicContact CG-CZ 4.06Å; I199-F233 HydrophobicContact CD1-CB 4.07Å; I199-F233 HydrophobicContact CD1-CD1 4.19Å; I199-F233 HydrophobicContact CD1-CD2 3.9Å; I199-F233 HydrophobicContact CD1-CE2 4.38Å; I199-F233 HydrophobicContact CD1-CG 3.79Å; L216-F233 CarbonylContact C-O 3.57Å; L216-F233 WeakPolarHBondContact CA-O 3.43Å; V217-F233 PolarHBondContact N-O 2.83Å; V217-F233 PolarHBondContact O-N 2.89Å; A219-F233 HydrophobicContact CB-CD2 4.07Å; A219-F233 HydrophobicContact CB-CE2 4.01Å; V221-F233 HydrophobicContact CG1-CE2 4.09Å; V221-F233 HydrophobicContact CG1-CZ 3.7Å; T231-F233 HydrophobicContact CG2-CD2 4.43Å; T231-F233 HydrophobicContact CG2-CE1 4.49Å; T231-F233 HydrophobicContact CG2-CE2 3.86Å; T231-F233 HydrophobicContact CG2-CZ 3.9Å; F233-V268 HydrophobicContact CB-CG1 4.38Å; F233-V268 HydrophobicContact CD1-CG1 3.96Å; F233-I273 HydrophobicContact CD1-CG1 3.94Å; F233-I273 HydrophobicContact CE1-CD1 4.29Å; F233-I273 HydrophobicContact CE1-CG1 3.63Å; F233-I273 HydrophobicContact CZ-CG1 4.41Å
234	I	98.9	Very high	98.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	120.8	171	-51.5	158.5	0	0	0	108.2	F148 Q156 Y160 V214 L216 N272 L274	F148-I234 HydrophobicContact CE1-CD1 3.72Å; F148-I234 HydrophobicContact CE1-CG1 3.99Å; F148-I234 HydrophobicContact CE1-CG2 4.26Å; F148-I234 HydrophobicContact CZ-CD1 4.36Å; F148-I234 HydrophobicContact CZ-CG1 4.16Å; F148-I234 HydrophobicContact CZ-CG2 3.89Å; Q156-I234 HydrophobicContact CB-CD1 4.47Å; Q156-I234 HydrophobicContact CG-CD1 3.94Å; Y160-I234 HydrophobicContact CD2-CD1 4.48Å; Y160-I234 HydrophobicContact CD2-CG2 4.4Å; Y160-I234 HydrophobicContact CE1-CG2 3.83Å; Y160-I234 HydrophobicContact CE2-CD1 4.02Å; Y160-I234 HydrophobicContact CE2-CG2 3.69Å; Y160-I234 WeakPolarHBondContact OH-CG2 3.26Å; V214-I234 HydrophobicContact CG2-CG2 3.52Å; L216-I234 HydrophobicContact CD2-CB 4.38Å; L216-I234 HydrophobicContact CD2-CG1 3.88Å; L216-I234 HydrophobicContact CD2-CG2 4.38Å; I234-N272 HydrophobicContact CB-CB 4.38Å; I234-N272 PolarHBondContact N-O 2.97Å; I234-N272 WeakPolarHBondContact O-CB 3.37Å; I234-N272 PolarHBondContact O-ND2 3.11Å; I234-L274 HydrophobicContact CD1-CB 4.16Å; I234-L274 HydrophobicContact CD1-CD1 4.31Å; I234-L274 HydrophobicContact CG1-CB 3.95Å
235	M	98.6	Very high	98.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	119	-178.4	-171.3	176.4	-67	0	0	110.1	I199 V214 F215 V217 T239 L242 F263 V266 V268	I199-M235 HydrophobicContact CB-CE 4.49Å; I199-M235 HydrophobicContact CD1-CE 3.86Å; V214-M235 CarbonylContact C-O 3.48Å; V214-M235 WeakPolarHBondContact CA-O 3.46Å; F215-M235 HydrophobicContact CB-CB 4.32Å; F215-M235 PolarHBondContact N-O 3.5Å; F215-M235 PolarHBondContact O-N 3.37Å; V217-M235 HydrophobicContact CG2-CB 4.19Å; V217-M235 HydrophobicContact CG2-CE 4.36Å; V217-M235 HydrophobicContact CG2-SD 4.38Å; M235-T239 HydrophobicContact CG-CG2 4.5Å; M235-L242 HydrophobicContact CG-CD2 4.13Å; M235-L242 HydrophobicContact SD-CB 4.1Å; M235-L242 HydrophobicContact SD-CD1 4.19Å; M235-L242 HydrophobicContact SD-CD2 3.84Å; M235-L242 HydrophobicContact SD-CG 4.26Å; M235-F263 HydrophobicContact CE-CD1 3.79Å; M235-F263 HydrophobicContact CE-CE1 3.87Å; M235-F263 HydrophobicContact SD-CD1 3.75Å; M235-F263 HydrophobicContact SD-CE1 3.55Å; M235-F263 VanDerWaalsContact SD-CE1 3.55Å; M235-V266 HydrophobicContact CE-CB 4.21Å; M235-V266 HydrophobicContact CE-CG1 3.6Å; M235-V266 HydrophobicContact SD-CG1 3.83Å; M235-V268 HydrophobicContact CE-CG2 3.57Å
236	D	98.6	Very high	98.4	Very high	47 Å²	47	53.6 Å²	53.6	25%	0.251	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	145.1	174.6	-68.3	-33.2	0	0	0	109.1	K159 Y160 D238 T239	K159-D236 IonicContact NZ-OD1 3.32Å; K159-D236 IonicContact NZ-OD2 3.19Å; K159-D236 PolarHBondContact NZ-OD2 3.07Å; Y160-D236 WeakPolarHBondContact CE1-OD1 3.41Å; Y160-D236 PolarHBondContact OH-OD1 3.28Å; D236-D238 VanDerWaalsContact C-N 3.25Å; D236-D238 PolarHBondContact O-N 3.21Å; D236-D238 VanDerWaalsContact O-N 3.16Å; D236-T239 PolarHBondContact N-OG1 2.87Å; D236-T239 WeakPolarHBondContact O-CB 3.28Å; D236-T239 PolarHBondContact O-N 3.05Å; D236-T239 PolarHBondContact O-OG1 3.35Å
237	R	98.5	Very high	98.4	Very high	78 Å²	78	53.8 Å²	53.8	29%	0.294	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-42.2	-175.5	-177.3	-173.4	-172.7	82.6	-1.5	114.1	A209 E210 A212 G213 F215 T239 I244	A209-R237 PolarHBondContact O-NH1 3.5Å; E210-R237 VanDerWaalsContact O-CZ 3.32Å; E210-R237 PolarHBondContact O-NH1 3.18Å; E210-R237 PolarHBondContact O-NH2 3.28Å; A212-R237 VanDerWaalsContact O-CD 3.3Å; A212-R237 WeakPolarHBondContact O-CD 3.39Å; A212-R237 PolarHBondContact O-NH1 3.45Å; G213-R237 PolarHBondContact O-N 3.49Å; F215-R237 HydrophobicContact CE2-CB 3.99Å; F215-R237 HydrophobicContact CE2-CG 4.13Å; R237-T239 PolarHBondContact O-N 2.85Å; R237-I244 HydrophobicContact CG-CD1 4.03Å
238	D	97.8	Very high	98.5	Very high	147 Å²	147	52.2 Å²	52.2	79%	0.786	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	14.7	-173.2	-54.4	-48.7	0	0	0	112.8	D236 P240	D236-D238 VanDerWaalsContact C-N 3.25Å; D236-D238 PolarHBondContact O-N 3.21Å; D236-D238 VanDerWaalsContact O-N 3.16Å; D238-P240 WeakPolarHBondContact O-CD 3.23Å
239	T	98.4	Very high	98.5	Very high	27 Å²	27	51.4 Å²	51.4	17%	0.166	27%	0.27	C	S	.	.			trans	-63.5	122.8	177.5	-53.5	0	0	0	0	109.5	M235 D236 R237 G241 L242 V266	M235-T239 HydrophobicContact CG-CG2 4.5Å; D236-T239 PolarHBondContact N-OG1 2.87Å; D236-T239 WeakPolarHBondContact O-CB 3.28Å; D236-T239 PolarHBondContact O-N 3.05Å; D236-T239 PolarHBondContact O-OG1 3.35Å; R237-T239 PolarHBondContact O-N 2.85Å; T239-G241 PolarHBondContact O-N 2.83Å; T239-L242 WeakPolarHBondContact O-CB 3.32Å; T239-L242 PolarHBondContact O-N 2.83Å; T239-L242 VanDerWaalsContact O-N 3.13Å; T239-V266 HydrophobicContact CG2-CG1 3.53Å
240	P	98.6	Very high	98.5	Very high	110 Å²	110	53.2 Å²	53.2	71%	0.714	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	133.9	-178.2	-27.7	35.5	0	0	0	113	D238	D238-P240 WeakPolarHBondContact O-CD 3.23Å
241	G	98.4	Very high	98.5	Very high	36 Å²	36	58.6 Å²	58.6	37%	0.371	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	-11.2	-178	0	0	0	0	0	114.6	T239 D264 V266	T239-G241 PolarHBondContact O-N 2.83Å; G241-D264 WeakPolarHBondContact CA-O 3.35Å; G241-D264 PolarHBondContact O-N 2.89Å; G241-V266 WeakPolarHBondContact O-CG2 3.3Å
242	L	98.8	Very high	98.5	Very high	24 Å²	24	59 Å²	59	13%	0.126	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	121.9	167.2	173	59.6	0	0	0	109.1	F215 M235 T239 L261 F263	F215-L242 HydrophobicContact CD2-CD2 3.84Å; F215-L242 HydrophobicContact CE2-CD2 4Å; F215-L242 HydrophobicContact CG-CD2 4.46Å; M235-L242 HydrophobicContact CG-CD2 4.13Å; M235-L242 HydrophobicContact SD-CB 4.1Å; M235-L242 HydrophobicContact SD-CD1 4.19Å; M235-L242 HydrophobicContact SD-CD2 3.84Å; M235-L242 HydrophobicContact SD-CG 4.26Å; T239-L242 WeakPolarHBondContact O-CB 3.32Å; T239-L242 PolarHBondContact O-N 2.83Å; T239-L242 VanDerWaalsContact O-N 3.13Å; L242-L261 HydrophobicContact CD1-CB 4.34Å; L242-F263 HydrophobicContact CD1-CD1 3.94Å; L242-F263 HydrophobicContact CD1-CE1 3.58Å; L242-F263 HydrophobicContact CD1-CZ 4.17Å
243	E	98.7	Very high	98.5	Very high	108 Å²	108	59.2 Å²	59.2	51%	0.505	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.7	172.7	-178.6	-170.6	-161.2	0	0	109.9	L261 N262	E243-L261 CarbonylContact O-C 3.6Å; E243-L261 WeakPolarHBondContact O-CA 3.44Å; E243-N262 HydrophobicContact CB-CB 4.23Å; E243-N262 PolarHBondContact N-O 3.4Å; E243-N262 PolarHBondContact O-N 3.34Å; E243-N262 PolarHBondContact OE2-ND2 2.88Å
244	I	98.8	Very high	98.5	Very high	45 Å²	45	61.6 Å²	61.6	23%	0.231	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	110.2	169.6	-58.5	159.8	0	0	0	107.3	A209 F215 R237 C259 L261	A209-I244 HydrophobicContact CB-CG2 4.22Å; F215-I244 HydrophobicContact CE2-CD1 4.23Å; F215-I244 HydrophobicContact CZ-CD1 3.69Å; F215-I244 HydrophobicContact CZ-CG1 4.05Å; R237-I244 HydrophobicContact CG-CD1 4.03Å; I244-C259 HydrophobicContact CG2-CB 3.91Å; I244-L261 HydrophobicContact CB-CD2 4.15Å; I244-L261 HydrophobicContact CG1-CD2 3.75Å; I244-L261 HydrophobicContact CG2-CD2 4.13Å
245	C	98.3	Very high	98.5	Very high	28 Å²	28	61.6 Å²	61.6	19%	0.189	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-73.8	172.8	-176.9	-66.1	0	0	0	0	111.9	K247 P260 N262	C245-K247 PolarHBondContact O-N 2.94Å; C245-P260 HydrophobicContact CB-CB 3.78Å; C245-P260 HydrophobicContact CB-CG 3.89Å; C245-P260 VanDerWaalsContact CB-O 3.3Å; C245-P260 WeakPolarHBondContact CB-O 3.47Å; C245-P260 PolarHBondContact N-O 2.99Å; C245-N262 PolarHBondContact SG-ND2 3.26Å
246	K	97.8	Very high	98.5	Very high	189 Å²	189	61.8 Å²	61.8	82%	0.822	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-54.1	134.6	176.1	-174.8	-180	177.1	-179	0	111.3	P260	K246-P260 WeakPolarHBondContact O-CD 3.47Å
247	K	98	Very high	98.5	Very high	38 Å²	38	59.7 Å²	59.7	17%	0.165	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-58.6	140.2	174.2	175.9	172.5	174.1	165.4	0	112.9	S85 E210 C245 R254 A255 T258	S85-K247 WeakPolarHBondContact O-CE 3.39Å; S85-K247 PolarHBondContact O-NZ 3.09Å; E210-K247 WeakPolarHBondContact OE2-CD 3.37Å; E210-K247 IonicContact OE2-NZ 3.54Å; E210-K247 PolarHBondContact OE2-NZ 3.46Å; C245-K247 PolarHBondContact O-N 2.94Å; K247-R254 PolarHBondContact NZ-O 3.39Å; K247-A255 PolarHBondContact NZ-O 3.45Å; K247-T258 WeakPolarHBondContact CA-O 3.34Å
248	E	98.5	Very high	98.5	Very high	61 Å²	61	56.4 Å²	56.4	29%	0.285	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-68.8	138.8	176	-65.1	-62.2	162.4	0	0	112.7	W205 K250 T258	W205-E248 HydrophobicContact CE3-CG 4.22Å; W205-E248 HydrophobicContact CZ3-CG 3.94Å; E248-K250 HydrophobicContact CB-CG 4.03Å; E248-K250 PolarHBondContact O-N 2.98Å; E248-T258 HydrophobicContact CG-CG2 4.38Å; E248-T258 WeakPolarHBondContact CG-O 3.34Å; E248-T258 PolarHBondContact N-O 3.49Å
249	N	98.6	Very high	98.5	Very high	139 Å²	139	49.5 Å²	49.5	74%	0.743	26%	0.262	S	S	*	.			trans	-88.8	100.7	170.8	-176.1	14.5	0	0	0	110.1	R254	N249-R254 PolarHBondContact OD1-NH1 3.06Å; N249-R254 VanDerWaalsContact OD1-NH1 3.1Å
250	K	98.7	Very high	98.6	Very high	41 Å²	41	49 Å²	49	18%	0.178	26%	0.259	C	S	.	.			trans	-99.6	158.3	-170.8	-55.7	-167	-59.3	-75.6	0	113.3	E248 G252 L253 R254 S256 T258	E248-K250 HydrophobicContact CB-CG 4.03Å; E248-K250 PolarHBondContact O-N 2.98Å; K250-G252 WeakPolarHBondContact CB-O 3.37Å; K250-L253 WeakPolarHBondContact CE-O 3.22Å; K250-L253 PolarHBondContact NZ-O 3.27Å; K250-L253 VanDerWaalsContact NZ-O 3.11Å; K250-R254 WeakPolarHBondContact O-CG 3.49Å; K250-R254 PolarHBondContact O-NH1 2.91Å; K250-R254 VanDerWaalsContact O-NH1 3.11Å; K250-S256 PolarHBondContact NZ-O 3Å; K250-T258 WeakPolarHBondContact CE-OG1 3.28Å; K250-T258 PolarHBondContact NZ-OG1 2.81Å
251	L	98.7	Very high	98.6	Very high	112 Å²	112	43.8 Å²	43.8	59%	0.586	23%	0.225	S	C	*	.	S	Bend	trans	-59.1	-55.5	171.3	174.6	64.8	0	0	0	112	R403 K406	L251-R403 HydrophobicContact CD1-CB 4.38Å; L251-R403 HydrophobicContact CD1-CG 3.89Å; L251-R403 HydrophobicContact CG-CB 4.12Å; L251-R403 HydrophobicContact CG-CG 4.18Å; L251-R403 WeakPolarHBondContact O-CD 3.34Å; L251-R403 PolarHBondContact O-NH1 2.96Å; L251-R403 VanDerWaalsContact O-NH1 3.07Å; L251-K406 HydrophobicContact CD2-CB 4.29Å
252	G	98.6	Very high	98.6	Very high	8 Å²	8	44.9 Å²	44.9	8%	0.082	22%	0.222	C	C	.	.	S	Bend	trans	-136.7	-176.6	179.5	0	0	0	0	0	110.4	K250 R254 D404	K250-G252 WeakPolarHBondContact CB-O 3.37Å; G252-R254 PolarHBondContact O-N 3.22Å; G252-D404 VanDerWaalsContact CA-OD1 3.23Å; G252-D404 WeakPolarHBondContact CA-OD1 3.29Å
253	L	98.6	Very high	98.6	Very high	6 Å²	6	44 Å²	44	3%	0.031	22%	0.218	C	C	.	.			trans	50.8	40.3	-170.1	-88.4	49	0	0	0	110.8	P131 S132 V135 K250 A255 S256 D404 I407 Y411	P131-L253 HydrophobicContact CB-CD1 3.85Å; S132-L253 WeakPolarHBondContact OG-CA 3.32Å; V135-L253 HydrophobicContact CG1-CD2 4.31Å; K250-L253 WeakPolarHBondContact CE-O 3.22Å; K250-L253 PolarHBondContact NZ-O 3.27Å; K250-L253 VanDerWaalsContact NZ-O 3.11Å; L253-A255 VanDerWaalsContact C-N 3.35Å; L253-A255 PolarHBondContact O-N 2.8Å; L253-S256 PolarHBondContact O-N 2.85Å; L253-D404 HydrophobicContact CD1-CB 3.45Å; L253-D404 VanDerWaalsContact CD1-CB 3.45Å; L253-D404 PolarHBondContact N-OD1 3.03Å; L253-I407 HydrophobicContact CD1-CG2 4.09Å; L253-I407 HydrophobicContact CD2-CB 4.35Å; L253-I407 HydrophobicContact CD2-CG1 4.42Å; L253-I407 HydrophobicContact CD2-CG2 3.33Å; L253-I407 HydrophobicContact CG-CG2 4.26Å; L253-Y411 HydrophobicContact CD2-CE2 4.17Å
254	R	98.8	Very high	98.6	Very high	50 Å²	50	44 Å²	44	19%	0.189	22%	0.221	C	C	.	.			trans	-68.7	-34.6	-168.4	-73.9	170.7	60.2	80.2	-3	112.3	D82 E83 S85 K247 N249 K250 G252 R403	D82-R254 PolarHBondContact O-NE 2.88Å; D82-R254 WeakPolarHBondContact OD1-CD 3.43Å; E83-R254 PolarHBondContact O-NH2 3.13Å; S85-R254 CarbonylContact C-O 3.36Å; S85-R254 VanDerWaalsContact CA-O 3.29Å; S85-R254 WeakPolarHBondContact CA-O 3.46Å; S85-R254 WeakPolarHBondContact CB-O 3.46Å; S85-R254 PolarHBondContact OG-NE 3.24Å; S85-R254 PolarHBondContact OG-NH2 2.85Å; K247-R254 PolarHBondContact NZ-O 3.39Å; N249-R254 PolarHBondContact OD1-NH1 3.06Å; N249-R254 VanDerWaalsContact OD1-NH1 3.1Å; K250-R254 WeakPolarHBondContact O-CG 3.49Å; K250-R254 PolarHBondContact O-NH1 2.91Å; K250-R254 VanDerWaalsContact O-NH1 3.11Å; G252-R254 PolarHBondContact O-N 3.22Å; R254-R403 VanDerWaalsContact CD-NH1 3.32Å
255	A	98.8	Very high	98.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	-67.3	-41.4	177.8	0	0	0	0	0	111.7	M81 M87 K247 L253 S257	M81-A255 HydrophobicContact CB-CB 3.81Å; M87-A255 HydrophobicContact CE-CB 4.18Å; M87-A255 PolarHBondContact N-O 2.92Å; M87-A255 HydrophobicContact SD-CB 4.46Å; K247-A255 PolarHBondContact NZ-O 3.45Å; L253-A255 VanDerWaalsContact C-N 3.35Å; L253-A255 PolarHBondContact O-N 2.8Å; A255-S257 PolarHBondContact O-N 3.48Å
256	S	98.6	Very high	98.6	Very high	4 Å²	4	45 Å²	45	3%	0.028	23%	0.225	C	C	.	.	S	Bend	trans	-61.8	124	173.9	177.5	0	0	0	0	110	K250 L253	K250-S256 PolarHBondContact NZ-O 3Å; L253-S256 PolarHBondContact O-N 2.85Å
257	S	98.5	Very high	98.6	Very high	2 Å²	2	42 Å²	42	1%	0.014	21%	0.212	C	C	.	.			trans	-70.7	143.4	176.5	60.8	0	0	0	0	110.8	S207 N208 A209 E210 A255	S207-S257 CarbonylContact C-O 3.58Å; S207-S257 WeakPolarHBondContact CA-O 3.24Å; N208-S257 VanDerWaalsContact CA-OG 3.31Å; N208-S257 WeakPolarHBondContact CA-OG 3.47Å; N208-S257 PolarHBondContact N-O 2.92Å; A209-S257 PolarHBondContact N-OG 3.42Å; E210-S257 WeakPolarHBondContact CB-OG 3.5Å; E210-S257 PolarHBondContact N-OG 3.14Å; E210-S257 VanDerWaalsContact OE2-CB 3.31Å; E210-S257 WeakPolarHBondContact OE2-CB 3.33Å; A255-S257 PolarHBondContact O-N 3.48Å
258	T	98.8	Very high	98.7	Very high	9 Å²	9	40.3 Å²	40.3	6%	0.055	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	112.4	174.9	-50.9	0	0	0	0	106.3	W205 I206 K247 E248 K250	W205-T258 HydrophobicContact CB-CG2 4.31Å; W205-T258 HydrophobicContact CE3-CG2 4.43Å; I206-T258 WeakPolarHBondContact O-CA 3.28Å; K247-T258 WeakPolarHBondContact CA-O 3.34Å; E248-T258 HydrophobicContact CG-CG2 4.38Å; E248-T258 WeakPolarHBondContact CG-O 3.34Å; E248-T258 PolarHBondContact N-O 3.49Å; K250-T258 WeakPolarHBondContact CE-OG1 3.28Å; K250-T258 PolarHBondContact NZ-OG1 2.81Å
259	C	98.8	Very high	98.6	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.014	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	146.9	-173.9	-53.4	0	0	0	0	110.8	I206 A209 I244	I206-C259 WeakPolarHBondContact CB-O 3.2Å; I206-C259 PolarHBondContact N-O 3.21Å; I206-C259 PolarHBondContact O-N 3.35Å; A209-C259 HydrophobicContact CB-CB 3.78Å; I244-C259 HydrophobicContact CG2-CB 3.91Å
260	P	98.7	Very high	98.6	Very high	18 Å²	18	37.5 Å²	37.5	12%	0.117	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	153.1	156.6	-9.5	23.7	0	0	0	110.4	K203 M204 C245 K246	K203-P260 CarbonylContact O-C 3.5Å; K203-P260 VanDerWaalsContact O-CA 3.3Å; K203-P260 WeakPolarHBondContact O-CA 3.27Å; M204-P260 HydrophobicContact CE-CB 4.35Å; M204-P260 HydrophobicContact SD-CB 3.85Å; M204-P260 HydrophobicContact SD-CG 3.77Å; C245-P260 HydrophobicContact CB-CB 3.78Å; C245-P260 HydrophobicContact CB-CG 3.89Å; C245-P260 VanDerWaalsContact CB-O 3.3Å; C245-P260 WeakPolarHBondContact CB-O 3.47Å; C245-P260 PolarHBondContact N-O 2.99Å; K246-P260 WeakPolarHBondContact O-CD 3.47Å
261	L	98.9	Very high	98.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	137.3	170.6	-54.1	179.2	0	0	0	109.1	C173 S202 K203 I206 A209 F215 L242 E243 I244 F263	C173-L261 HydrophobicContact CB-CD1 4.37Å; S202-L261 CarbonylContact C-O 3.51Å; S202-L261 WeakPolarHBondContact CA-O 3.27Å; S202-L261 WeakPolarHBondContact CB-O 3.26Å; K203-L261 HydrophobicContact CB-CB 4.22Å; K203-L261 HydrophobicContact CB-CD1 4.47Å; K203-L261 PolarHBondContact N-O 3.5Å; K203-L261 PolarHBondContact O-N 3.31Å; I206-L261 HydrophobicContact CB-CD1 4.26Å; I206-L261 HydrophobicContact CB-CG 4.26Å; I206-L261 HydrophobicContact CG1-CD1 3.87Å; I206-L261 HydrophobicContact CG1-CG 3.92Å; I206-L261 HydrophobicContact CG2-CD1 4.13Å; A209-L261 HydrophobicContact CB-CD2 4.18Å; F215-L261 HydrophobicContact CD1-CD1 3.71Å; F215-L261 HydrophobicContact CE1-CD1 3.97Å; F215-L261 HydrophobicContact CE1-CD2 4.07Å; L242-L261 HydrophobicContact CD1-CB 4.34Å; E243-L261 CarbonylContact O-C 3.6Å; E243-L261 WeakPolarHBondContact O-CA 3.44Å; I244-L261 HydrophobicContact CB-CD2 4.15Å; I244-L261 HydrophobicContact CG1-CD2 3.75Å; I244-L261 HydrophobicContact CG2-CD2 4.13Å; L261-F263 HydrophobicContact CB-CE2 3.86Å; L261-F263 HydrophobicContact CB-CZ 3.85Å; L261-F263 HydrophobicContact CD1-CZ 3.96Å
262	N	98.8	Very high	98.6	Very high	58 Å²	58	35.3 Å²	35.3	31%	0.31	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	143.1	168.8	-61.3	-33.6	0	0	0	109.9	E243 C245	E243-N262 HydrophobicContact CB-CB 4.23Å; E243-N262 PolarHBondContact N-O 3.4Å; E243-N262 PolarHBondContact O-N 3.34Å; E243-N262 PolarHBondContact OE2-ND2 2.88Å; C245-N262 PolarHBondContact SG-ND2 3.26Å
263	F	98.8	Very high	98.6	Very high	7 Å²	7	35.7 Å²	35.7	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	108.9	175.9	-51.7	-91.6	0	0	0	107.2	T188 I199 N200 G201 K203 V217 M235 L242 L261 V266	T188-F263 HydrophobicContact CG2-CD2 4.43Å; I199-F263 HydrophobicContact CG2-CB 4.12Å; I199-F263 HydrophobicContact CG2-CD1 4.31Å; I199-F263 HydrophobicContact CG2-CG 4.19Å; N200-F263 WeakPolarHBondContact CA-O 3.36Å; G201-F263 PolarHBondContact N-O 2.86Å; G201-F263 VanDerWaalsContact N-O 3.09Å; G201-F263 PolarHBondContact O-N 3.26Å; K203-F263 HydrophobicContact CB-CE2 4.08Å; K203-F263 HydrophobicContact CG-CE2 3.55Å; K203-F263 HydrophobicContact CG-CZ 3.97Å; V217-F263 HydrophobicContact CG1-CE1 4.06Å; V217-F263 HydrophobicContact CG1-CZ 3.88Å; V217-F263 HydrophobicContact CG2-CE1 3.95Å; V217-F263 HydrophobicContact CG2-CZ 4.08Å; M235-F263 HydrophobicContact CE-CD1 3.79Å; M235-F263 HydrophobicContact CE-CE1 3.87Å; M235-F263 HydrophobicContact SD-CD1 3.75Å; M235-F263 HydrophobicContact SD-CE1 3.55Å; M235-F263 VanDerWaalsContact SD-CE1 3.55Å; L242-F263 HydrophobicContact CD1-CD1 3.94Å; L242-F263 HydrophobicContact CD1-CE1 3.58Å; L242-F263 HydrophobicContact CD1-CZ 4.17Å; L261-F263 HydrophobicContact CB-CE2 3.86Å; L261-F263 HydrophobicContact CB-CZ 3.85Å; L261-F263 HydrophobicContact CD1-CZ 3.96Å; F263-V266 HydrophobicContact CB-CG2 3.76Å; F263-V266 HydrophobicContact CD1-CG2 4.13Å; F263-V266 HydrophobicContact CG-CG2 4.45Å
264	D	98.6	Very high	98.6	Very high	107 Å²	107	35.4 Å²	35.4	57%	0.572	19%	0.193	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.7	104.2	173.8	-178.6	9.1	0	0	0	109.3	G241 V266	G241-D264 WeakPolarHBondContact CA-O 3.35Å; G241-D264 PolarHBondContact O-N 2.89Å; D264-V266 PolarHBondContact O-N 2.96Å; D264-V266 VanDerWaalsContact O-N 3.17Å
265	N	98.5	Very high	98.6	Very high	93 Å²	93	34.4 Å²	34.4	50%	0.497	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	50.7	40.4	178.4	-65	-61.8	0	0	0	114.2	V198 N200 K267	V198-N265 HydrophobicContact CG1-CB 4.13Å; N200-N265 PolarHBondContact ND2-OD1 3.42Å; N200-N265 VanDerWaalsContact ND2-OD1 3.09Å; N200-N265 PolarHBondContact OD1-N 3.3Å; N265-K267 PolarHBondContact O-N 2.99Å
266	V	98.8	Very high	98.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	118.8	-176.3	-171.7	0	0	0	0	110.1	V198 I199 M235 T239 G241 F263 D264 V268	V198-V266 CarbonylContact C-O 3.1Å; V198-V266 WeakPolarHBondContact CA-O 3.45Å; I199-V266 HydrophobicContact CB-CB 4.32Å; I199-V266 PolarHBondContact N-O 3.01Å; I199-V266 PolarHBondContact O-N 2.92Å; M235-V266 HydrophobicContact CE-CB 4.21Å; M235-V266 HydrophobicContact CE-CG1 3.6Å; M235-V266 HydrophobicContact SD-CG1 3.83Å; T239-V266 HydrophobicContact CG2-CG1 3.53Å; G241-V266 WeakPolarHBondContact O-CG2 3.3Å; F263-V266 HydrophobicContact CB-CG2 3.76Å; F263-V266 HydrophobicContact CD1-CG2 4.13Å; F263-V266 HydrophobicContact CG-CG2 4.45Å; D264-V266 PolarHBondContact O-N 2.96Å; D264-V266 VanDerWaalsContact O-N 3.17Å; V266-V268 HydrophobicContact CG1-CG2 4.14Å
267	K	98.6	Very high	98.5	Very high	128 Å²	128	43.3 Å²	43.3	56%	0.557	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	117.2	179.9	-63.6	-177.9	-177.9	174.3	0	110.4	Y196 F197 V198 N265	Y196-K267 HydrophobicContact CD2-CB 3.98Å; Y196-K267 HydrophobicContact CD2-CD 4.34Å; Y196-K267 HydrophobicContact CD2-CG 3.99Å; Y196-K267 HydrophobicContact CE2-CB 4.28Å; Y196-K267 HydrophobicContact CE2-CD 3.85Å; Y196-K267 HydrophobicContact CE2-CG 3.78Å; F197-K267 CarbonylContact O-C 3.49Å; F197-K267 WeakPolarHBondContact O-CA 3.49Å; V198-K267 HydrophobicContact CG2-CG 4.44Å; N265-K267 PolarHBondContact O-N 2.99Å
268	V	98.3	Very high	98.5	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	119.6	-179.1	-177.3	0	0	0	0	109.6	Y196 F197 I199 F233 M235 V266 N272	Y196-V268 CarbonylContact C-O 3.57Å; Y196-V268 VanDerWaalsContact CA-O 3.3Å; Y196-V268 WeakPolarHBondContact CA-O 3.45Å; Y196-V268 WeakPolarHBondContact CB-O 3.11Å; F197-V268 PolarHBondContact N-O 3.4Å; F197-V268 PolarHBondContact O-N 3.2Å; I199-V268 HydrophobicContact CD1-CB 4.34Å; I199-V268 HydrophobicContact CD1-CG2 3.74Å; I199-V268 HydrophobicContact CG1-CG2 4.11Å; F233-V268 HydrophobicContact CB-CG1 4.38Å; F233-V268 HydrophobicContact CD1-CG1 3.96Å; M235-V268 HydrophobicContact CE-CG2 3.57Å; V266-V268 HydrophobicContact CG1-CG2 4.14Å; V268-N272 HydrophobicContact CG1-CB 3.59Å
269	P	98.1	Very high	98.5	Very high	64 Å²	64	45.6 Å²	45.6	42%	0.416	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	148.2	177.6	-25.3	34.5	0	0	0	112.6	A271 N272	P269-A271 PolarHBondContact O-N 3.01Å; P269-N272 WeakPolarHBondContact O-CB 3.37Å; P269-N272 PolarHBondContact O-N 3.38Å
270	E	98	Very high	98.5	Very high	77 Å²	77	45.5 Å²	45.5	36%	0.36	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-59.2	-31	175.3	-177.7	162.5	-156.7	0	0	111.8	K192 D195 F197 N272 I273	K192-E270 WeakPolarHBondContact CE-OE2 3.46Å; K192-E270 IonicContact NZ-OE1 3.64Å; K192-E270 PolarHBondContact NZ-OE1 3.43Å; K192-E270 IonicContact NZ-OE2 2.67Å; K192-E270 PolarHBondContact NZ-OE2 3.03Å; D195-E270 WeakPolarHBondContact O-CB 3.3Å; D195-E270 PolarHBondContact O-N 2.69Å; F197-E270 HydrophobicContact CE2-CB 4.33Å; F197-E270 HydrophobicContact CE2-CG 4.21Å; E270-N272 PolarHBondContact O-N 2.68Å; E270-N272 VanDerWaalsContact O-N 3.14Å; E270-I273 HydrophobicContact CG-CD1 4.04Å; E270-I273 WeakPolarHBondContact O-CB 3.4Å; E270-I273 WeakPolarHBondContact O-CG1 3.08Å; E270-I273 PolarHBondContact O-N 3.27Å; E270-I273 VanDerWaalsContact O-N 3.12Å
271	A	97.9	Very high	98.4	Very high	77 Å²	77	46.6 Å²	46.6	64%	0.636	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-64.7	-12.6	174.1	0	0	0	0	0	114.5	Q156 P269	Q156-A271 PolarHBondContact NE2-O 2.82Å; P269-A271 PolarHBondContact O-N 3.01Å
272	N	98.6	Very high	98.3	Very high	29 Å²	29	50.8 Å²	50.8	16%	0.155	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-91.7	5.6	176.1	-78.1	41.6	0	0	0	112.8	I234 V268 P269 E270 L274	I234-N272 HydrophobicContact CB-CB 4.38Å; I234-N272 PolarHBondContact N-O 2.97Å; I234-N272 WeakPolarHBondContact O-CB 3.37Å; I234-N272 PolarHBondContact O-ND2 3.11Å; V268-N272 HydrophobicContact CG1-CB 3.59Å; P269-N272 WeakPolarHBondContact O-CB 3.37Å; P269-N272 PolarHBondContact O-N 3.38Å; E270-N272 PolarHBondContact O-N 2.68Å; E270-N272 VanDerWaalsContact O-N 3.14Å; N272-L274 PolarHBondContact O-N 2.72Å
273	I	98.8	Very high	98.3	Very high	17 Å²	17	49.7 Å²	49.7	9%	0.087	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-68.4	128.5	166.2	-65.9	165.3	0	0	0	108.7	Q156 F197 T231 F233 E270 V277	Q156-I273 PolarHBondContact NE2-O 3.04Å; F197-I273 HydrophobicContact CD2-CD1 4.43Å; F197-I273 HydrophobicContact CE2-CD1 3.72Å; F197-I273 HydrophobicContact CZ-CD1 4.2Å; T231-I273 HydrophobicContact CG2-CG1 4.26Å; T231-I273 HydrophobicContact CG2-CG2 3.76Å; F233-I273 HydrophobicContact CD1-CG1 3.94Å; F233-I273 HydrophobicContact CE1-CD1 4.29Å; F233-I273 HydrophobicContact CE1-CG1 3.63Å; F233-I273 HydrophobicContact CZ-CG1 4.41Å; E270-I273 HydrophobicContact CG-CD1 4.04Å; E270-I273 WeakPolarHBondContact O-CB 3.4Å; E270-I273 WeakPolarHBondContact O-CG1 3.08Å; E270-I273 PolarHBondContact O-N 3.27Å; E270-I273 VanDerWaalsContact O-N 3.12Å; I273-V277 HydrophobicContact CD1-CG2 3.75Å
274	L	98.7	Very high	98.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.266	C	S	.	.			trans	-95.5	115.5	173.3	-175.9	62	0	0	0	109.7	L147 F148 L151 L216 C232 I234 N272	L147-L274 HydrophobicContact CB-CD2 3.87Å; F148-L274 HydrophobicContact CD1-CD1 4.36Å; L151-L274 HydrophobicContact CB-CD1 3.82Å; L151-L274 HydrophobicContact CB-CG 3.87Å; L151-L274 HydrophobicContact CD1-CG 4.42Å; L216-L274 HydrophobicContact CD1-CD2 4.14Å; L216-L274 HydrophobicContact CD2-CD2 3.95Å; C232-L274 HydrophobicContact CB-CB 4.31Å; C232-L274 PolarHBondContact O-N 3.47Å; I234-L274 HydrophobicContact CD1-CB 4.16Å; I234-L274 HydrophobicContact CD1-CD1 4.31Å; I234-L274 HydrophobicContact CG1-CB 3.95Å; N272-L274 PolarHBondContact O-N 2.72Å
275	G	98.3	Very high	97.8	Very high	29 Å²	29	47.4 Å²	47.4	30%	0.299	26%	0.255	S	S	.	.	S	Bend	trans	75.7	-135.8	-171.4	0	0	0	0	0	112.1
276	E	98.3	Very high	97.4	Very high	115 Å²	115	44 Å²	44	54%	0.537	24%	0.242	S	C	.	.			trans	-111.9	148.5	-172.7	-63.1	172.9	-176.8	0	0	112.6	G278 H279 Y283	E276-G278 PolarHBondContact O-N 3.37Å; E276-H279 HydrophobicContact CB-CB 4.25Å; E276-H279 PolarHBondContact O-N 3.34Å; E276-H279 IonicContact OE2-CE1 2.96Å; E276-H279 PolarHBondContact OE2-CE1 3.25Å; E276-H279 IonicContact OE2-CG 3.94Å; E276-H279 IonicContact OE2-ND1 2.75Å; E276-H279 PolarHBondContact OE2-ND1 3.12Å; E276-Y283 PolarHBondContact N-OH 2.65Å
277	V	98.4	Very high	97.1	Very high	76 Å²	76	44.6 Å²	44.6	46%	0.461	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	133.2	172.8	177.2	0	0	0	0	110.3	V221 I273 H279	V221-V277 HydrophobicContact CG2-CG1 3.6Å; I273-V277 HydrophobicContact CD1-CG2 3.75Å; V277-H279 PolarHBondContact O-N 3.02Å
278	G	98.3	Very high	96.9	Very high	7 Å²	7	39.7 Å²	39.7	7%	0.072	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	-1.3	178.6	0	0	0	0	0	115.3	R228 I230 T231 E276 Y281	R228-G278 CarbonylContact O-C 3.6Å; R228-G278 WeakPolarHBondContact O-CA 3.4Å; R228-G278 VanDerWaalsContact O-O 3.1Å; I230-G278 CarbonylContact O-C 3.44Å; I230-G278 VanDerWaalsContact O-CA 3.26Å; I230-G278 WeakPolarHBondContact O-CA 3.32Å; T231-G278 PolarHBondContact OG1-N 3.26Å; E276-G278 PolarHBondContact O-N 3.37Å; G278-Y281 WeakPolarHBondContact O-CD1 3.32Å; G278-Y281 VanDerWaalsContact O-CE1 3.3Å; G278-Y281 WeakPolarHBondContact O-CE1 3.4Å
279	H	98.5	Very high	96.7	Very high	52 Å²	52	40.2 Å²	40.2	24%	0.241	23%	0.227	C	C	.	.			trans	-100.7	1.2	178.2	-73.7	178.8	0	0	0	114.2	I230 E276 V277 Y281 K282 Y283	I230-H279 PolarHBondContact O-N 3.21Å; E276-H279 HydrophobicContact CB-CB 4.25Å; E276-H279 PolarHBondContact O-N 3.34Å; E276-H279 IonicContact OE2-CE1 2.96Å; E276-H279 PolarHBondContact OE2-CE1 3.25Å; E276-H279 IonicContact OE2-CG 3.94Å; E276-H279 IonicContact OE2-ND1 2.75Å; E276-H279 PolarHBondContact OE2-ND1 3.12Å; V277-H279 PolarHBondContact O-N 3.02Å; H279-Y281 PolarHBondContact O-N 3.02Å; H279-Y281 VanDerWaalsContact O-N 3.17Å; H279-K282 PolarHBondContact CD2-NZ 3.37Å; H279-K282 PolarHBondContact NE2-NZ 3.48Å; H279-K282 WeakPolarHBondContact O-CB 3.47Å; H279-K282 PolarHBondContact O-N 3.47Å; H279-Y283 HydrophobicContact CB-CD2 4.47Å; H279-Y283 HydrophobicContact CB-CE1 3.97Å; H279-Y283 HydrophobicContact CB-CE2 3.67Å; H279-Y283 WeakPolarHBondContact CB-OH 3.45Å; H279-Y283 WeakPolarHBondContact O-CD2 3.38Å; H279-Y283 PolarHBondContact O-N 2.99Å; H279-Y283 VanDerWaalsContact O-N 3.15Å
280	G	98.2	Very high	96.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-55	-35.5	179.2	0	0	0	0	0	113.8	I230 K282 Y283 A284	I230-G280 VanDerWaalsContact O-CA 3.31Å; I230-G280 WeakPolarHBondContact O-CA 3.5Å; I230-G280 PolarHBondContact O-N 3.4Å; G280-K282 VanDerWaalsContact C-N 3.34Å; G280-K282 PolarHBondContact O-N 3.28Å; G280-Y283 PolarHBondContact O-N 3.29Å; G280-A284 VanDerWaalsContact O-CB 3.31Å; G280-A284 WeakPolarHBondContact O-CB 3.45Å; G280-A284 PolarHBondContact O-N 3.38Å
281	Y	97.2	Very high	96.5	Very high	40 Å²	40	33.9 Å²	33.9	16%	0.157	19%	0.192	C	C	.	.	H	α-helix	trans	-64.4	-36.8	175.5	80	-86.7	0	0	0	112.8	F184 Y227 R228 G278 H279 I285	F184-Y281 HydrophobicContact CE2-CD2 4.26Å; F184-Y281 HydrophobicContact CZ-CD2 4.36Å; F184-Y281 WeakPolarHBondContact CZ-O 3.42Å; Y227-Y281 AromaticContact CD2-CD1 3.8Å; Y227-Y281 HydrophobicContact CD2-CD1 3.8Å; Y227-Y281 AromaticContact CD2-CD2 3.58Å; Y227-Y281 HydrophobicContact CD2-CD2 3.58Å; Y227-Y281 AromaticContact CD2-CE1 3.82Å; Y227-Y281 HydrophobicContact CD2-CE1 3.82Å; Y227-Y281 AromaticContact CD2-CE2 3.61Å; Y227-Y281 HydrophobicContact CD2-CE2 3.61Å; Y227-Y281 AromaticContact CD2-CG 3.67Å; Y227-Y281 HydrophobicContact CD2-CG 3.67Å; Y227-Y281 AromaticContact CD2-CZ 3.71Å; Y227-Y281 HydrophobicContact CE2-CD1 4.42Å; Y227-Y281 AromaticContact CE2-CD2 3.99Å; Y227-Y281 HydrophobicContact CE2-CD2 3.99Å; Y227-Y281 AromaticContact CE2-CE1 3.99Å; Y227-Y281 HydrophobicContact CE2-CE1 3.99Å; Y227-Y281 AromaticContact CE2-CE2 3.51Å; Y227-Y281 HydrophobicContact CE2-CE2 3.51Å; Y227-Y281 HydrophobicContact CE2-CG 4.41Å; Y227-Y281 AromaticContact CE2-CZ 3.49Å; Y227-Y281 VanDerWaalsContact CE2-CZ 3.49Å; Y227-Y281 VanDerWaalsContact O-CD1 3.22Å; Y227-Y281 WeakPolarHBondContact O-CD1 3.18Å; R228-Y281 HydrophobicContact CG-CE1 4.29Å; G278-Y281 WeakPolarHBondContact O-CD1 3.32Å; G278-Y281 VanDerWaalsContact O-CE1 3.3Å; G278-Y281 WeakPolarHBondContact O-CE1 3.4Å; H279-Y281 PolarHBondContact O-N 3.02Å; H279-Y281 VanDerWaalsContact O-N 3.17Å; Y281-I285 WeakPolarHBondContact O-CG2 3.41Å; Y281-I285 PolarHBondContact O-N 3.47Å; Y281-I285 VanDerWaalsContact O-N 3.11Å
282	K	97.1	Very high	96.6	Very high	89 Å²	89	30.5 Å²	30.5	39%	0.387	16%	0.163	S	C	.	.	H	α-helix	trans	-68.1	-43	177.5	-62.1	-179.7	-178	166.2	0	110.1	H279 G280 I285 G286	H279-K282 PolarHBondContact CD2-NZ 3.37Å; H279-K282 PolarHBondContact NE2-NZ 3.48Å; H279-K282 WeakPolarHBondContact O-CB 3.47Å; H279-K282 PolarHBondContact O-N 3.47Å; G280-K282 VanDerWaalsContact C-N 3.34Å; G280-K282 PolarHBondContact O-N 3.28Å; K282-I285 WeakPolarHBondContact O-CG2 3.46Å; K282-G286 PolarHBondContact O-N 2.99Å
283	Y	97.5	Very high	96.6	Very high	34 Å²	34	29.1 Å²	29.1	13%	0.133	16%	0.156	C	C	.	.	H	α-helix	trans	-64.7	-49.3	178.4	-50.8	-32.6	0	0	0	110.4	L151 C232 E276 H279 G280 I285 G286 M287	L151-Y283 HydrophobicContact CD1-CD1 3.54Å; L151-Y283 HydrophobicContact CD1-CD2 3.63Å; L151-Y283 HydrophobicContact CD1-CE1 3.95Å; L151-Y283 HydrophobicContact CD1-CE2 4.04Å; L151-Y283 HydrophobicContact CD1-CG 3.37Å; L151-Y283 HydrophobicContact CD2-CD1 3.97Å; L151-Y283 HydrophobicContact CD2-CE1 3.72Å; L151-Y283 HydrophobicContact CG-CD1 4.42Å; C232-Y283 HydrophobicContact CB-CD2 4.36Å; E276-Y283 PolarHBondContact N-OH 2.65Å; H279-Y283 HydrophobicContact CB-CD2 4.47Å; H279-Y283 HydrophobicContact CB-CE1 3.97Å; H279-Y283 HydrophobicContact CB-CE2 3.67Å; H279-Y283 WeakPolarHBondContact CB-OH 3.45Å; H279-Y283 WeakPolarHBondContact O-CD2 3.38Å; H279-Y283 PolarHBondContact O-N 2.99Å; H279-Y283 VanDerWaalsContact O-N 3.15Å; G280-Y283 PolarHBondContact O-N 3.29Å; Y283-I285 PolarHBondContact O-N 2.89Å; Y283-G286 PolarHBondContact O-N 3.36Å; Y283-M287 VanDerWaalsContact O-CG 3.26Å; Y283-M287 WeakPolarHBondContact O-CG 3.43Å; Y283-M287 PolarHBondContact O-N 2.94Å
284	A	94.8	Very high	96.6	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.008	15%	0.151	C	C	.	.	H	α-helix	trans	-56	-52	178.9	0	0	0	0	0	112.2	F172 L174 M218 G280 G286 M287 L288	F172-A284 HydrophobicContact CZ-CB 3.97Å; L174-A284 HydrophobicContact CD1-CB 4.26Å; L174-A284 HydrophobicContact CD2-CB 4.21Å; M218-A284 HydrophobicContact CE-CB 4.35Å; M218-A284 HydrophobicContact CG-CB 4.36Å; G280-A284 VanDerWaalsContact O-CB 3.31Å; G280-A284 WeakPolarHBondContact O-CB 3.45Å; G280-A284 PolarHBondContact O-N 3.38Å; A284-G286 PolarHBondContact O-N 3.28Å; A284-M287 PolarHBondContact O-N 2.96Å; A284-L288 VanDerWaalsContact O-CG 3.23Å; A284-L288 WeakPolarHBondContact O-CG 3.33Å; A284-L288 PolarHBondContact O-N 3.05Å
285	I	92.5	Very high	96.6	Very high	65 Å²	65	28.3 Å²	28.3	33%	0.333	15%	0.151	S	C	.	.	H	α-helix	trans	-69.6	-34.3	-179.9	-164.7	60.9	0	0	0	112.9	F184 Y281 K282 Y283 L288 N289	F184-I285 HydrophobicContact CZ-CB 4.13Å; Y281-I285 WeakPolarHBondContact O-CG2 3.41Å; Y281-I285 PolarHBondContact O-N 3.47Å; Y281-I285 VanDerWaalsContact O-N 3.11Å; K282-I285 WeakPolarHBondContact O-CG2 3.46Å; Y283-I285 PolarHBondContact O-N 2.89Å; I285-L288 PolarHBondContact O-N 2.86Å; I285-N289 PolarHBondContact O-N 3.43Å; I285-N289 PolarHBondContact O-ND2 3.13Å
286	G	91.7	Very high	96.6	Very high	22 Å²	22	27 Å²	27	23%	0.227	14%	0.137	C	C	.	.	H	α-helix	trans	-58.4	-48.9	176.2	0	0	0	0	0	111.4	K282 Y283 A284 N289	K282-G286 PolarHBondContact O-N 2.99Å; Y283-G286 PolarHBondContact O-N 3.36Å; A284-G286 PolarHBondContact O-N 3.28Å; G286-N289 WeakPolarHBondContact O-CB 3.28Å; G286-N289 PolarHBondContact O-N 3.49Å
287	M	92.1	Very high	96.7	Very high	13 Å²	13	21.5 Å²	21.5	6%	0.064	11%	0.112	C	C	.	.	H	α-helix	trans	-71	-38.3	-179.5	-58.3	-64.7	92.3	0	0	112.6	L143 T146 L147 K150 Y283 A284 N289 E290 G291	L143-M287 HydrophobicContact CD2-CB 3.9Å; T146-M287 HydrophobicContact CG2-CE 3.92Å; T146-M287 HydrophobicContact CG2-SD 3.39Å; T146-M287 WeakPolarHBondContact CG2-SD 3.48Å; L147-M287 HydrophobicContact CD1-CG 4Å; L147-M287 HydrophobicContact CD2-CG 3.41Å; L147-M287 VanDerWaalsContact CD2-CG 3.41Å; L147-M287 HydrophobicContact CD2-SD 3.9Å; L147-M287 HydrophobicContact CG-CG 3.47Å; L147-M287 VanDerWaalsContact CG-CG 3.47Å; L147-M287 HydrophobicContact CG-SD 3.78Å; K150-M287 HydrophobicContact CD-CE 3.93Å; Y283-M287 VanDerWaalsContact O-CG 3.26Å; Y283-M287 WeakPolarHBondContact O-CG 3.43Å; Y283-M287 PolarHBondContact O-N 2.94Å; A284-M287 PolarHBondContact O-N 2.96Å; M287-N289 PolarHBondContact O-N 2.82Å; M287-N289 VanDerWaalsContact O-N 3.16Å; M287-E290 VanDerWaalsContact CE-OE1 3.28Å; M287-E290 WeakPolarHBondContact CE-OE1 3.37Å; M287-E290 CarbonylContact O-C 3.37Å; M287-E290 WeakPolarHBondContact O-CA 3.4Å; M287-E290 WeakPolarHBondContact O-CB 3.46Å; M287-E290 PolarHBondContact O-N 3.03Å; M287-G291 PolarHBondContact O-N 3.11Å
288	L	93.4	Very high	96.7	Very high	25 Å²	25	17.9 Å²	17.9	13%	0.131	9%	0.09	C	C	.	.	H	α-helix	trans	-60.6	-24.5	173.5	-70.5	171.5	0	0	0	112.3	F172 L174 A284 I285 E290 R292 E412	F172-L288 HydrophobicContact CE1-CD2 4.33Å; L174-L288 HydrophobicContact CD2-CD1 3.89Å; A284-L288 VanDerWaalsContact O-CG 3.23Å; A284-L288 WeakPolarHBondContact O-CG 3.33Å; A284-L288 PolarHBondContact O-N 3.05Å; I285-L288 PolarHBondContact O-N 2.86Å; L288-E290 VanDerWaalsContact C-N 3.35Å; L288-R292 WeakPolarHBondContact O-CB 3.21Å; L288-R292 VanDerWaalsContact O-CD 3.29Å; L288-R292 WeakPolarHBondContact O-CD 3.48Å; L288-R292 WeakPolarHBondContact O-CG 3.39Å; L288-R292 PolarHBondContact O-N 2.86Å; L288-E412 WeakPolarHBondContact CD2-OE2 3.36Å
289	N	94.6	Very high	96.7	Very high	12 Å²	12	17.5 Å²	17.5	6%	0.064	9%	0.086	C	C	.	.	H	α-helix	trans	-70.2	-33.5	172.7	-62.2	-38.8	0	0	0	112	I285 G286 M287 R292 F361 I362 A365	I285-N289 PolarHBondContact O-N 3.43Å; I285-N289 PolarHBondContact O-ND2 3.13Å; G286-N289 WeakPolarHBondContact O-CB 3.28Å; G286-N289 PolarHBondContact O-N 3.49Å; M287-N289 PolarHBondContact O-N 2.82Å; M287-N289 VanDerWaalsContact O-N 3.16Å; N289-R292 PolarHBondContact OD1-NH1 2.89Å; N289-F361 HydrophobicContact CB-CE2 4.02Å; N289-F361 HydrophobicContact CB-CZ 4.39Å; N289-I362 HydrophobicContact CB-CG1 4.3Å; N289-A365 WeakPolarHBondContact O-CB 3.43Å
290	E	95.6	Very high	96.7	Very high	9 Å²	9	15.1 Å²	15.1	4%	0.042	8%	0.075	C	C	.	.	H	α-helix	trans	-77.7	-45.8	175	-65.9	173.5	-128.1	0	0	110.9	F116 T146 K150 M287 L288 R292 I293 G294 K355 F361	F116-E290 HydrophobicContact CE2-CB 4.45Å; F116-E290 HydrophobicContact CZ-CB 4.43Å; T146-E290 WeakPolarHBondContact CG2-OE2 3.38Å; K150-E290 VanDerWaalsContact NZ-CD 3.26Å; K150-E290 IonicContact NZ-OE1 2.91Å; K150-E290 PolarHBondContact NZ-OE1 3.24Å; K150-E290 IonicContact NZ-OE2 2.58Å; K150-E290 PolarHBondContact NZ-OE2 2.76Å; K150-E290 VanDerWaalsContact NZ-OE2 3.13Å; M287-E290 VanDerWaalsContact CE-OE1 3.28Å; M287-E290 WeakPolarHBondContact CE-OE1 3.37Å; M287-E290 CarbonylContact O-C 3.37Å; M287-E290 WeakPolarHBondContact O-CA 3.4Å; M287-E290 WeakPolarHBondContact O-CB 3.46Å; M287-E290 PolarHBondContact O-N 3.03Å; L288-E290 VanDerWaalsContact C-N 3.35Å; E290-R292 VanDerWaalsContact C-N 3.27Å; E290-R292 PolarHBondContact O-N 2.78Å; E290-I293 WeakPolarHBondContact O-CB 3.47Å; E290-I293 PolarHBondContact O-N 3.39Å; E290-G294 PolarHBondContact O-N 3.08Å; E290-K355 HydrophobicContact CG-CD 4.31Å; E290-K355 WeakPolarHBondContact OE2-CE 3.37Å; E290-K355 IonicContact OE2-NZ 2.79Å; E290-K355 PolarHBondContact OE2-NZ 2.97Å; E290-F361 HydrophobicContact CG-CE2 4.15Å; E290-F361 HydrophobicContact CG-CZ 3.83Å
291	G	96.9	Very high	96.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-56.7	-36.1	175.3	0	0	0	0	0	113.1	M287 I293 G294 I295	M287-G291 PolarHBondContact O-N 3.11Å; G291-I293 PolarHBondContact O-N 3.1Å; G291-G294 CarbonylContact O-C 3.44Å; G291-G294 WeakPolarHBondContact O-CA 3.43Å; G291-G294 PolarHBondContact O-N 3.19Å; G291-I295 WeakPolarHBondContact O-CG1 3.28Å; G291-I295 PolarHBondContact O-N 2.68Å
292	R	98.7	Very high	96.8	Very high	6 Å²	6	13.2 Å²	13.2	2%	0.023	7%	0.068	C	C	.	.	H	α-helix	trans	-55.2	-34.7	171.4	-80.2	165.1	-164.2	160.1	13.7	113.7	L288 N289 E290 A296 A365 C366 K369 E412 Q418	L288-R292 WeakPolarHBondContact O-CB 3.21Å; L288-R292 VanDerWaalsContact O-CD 3.29Å; L288-R292 WeakPolarHBondContact O-CD 3.48Å; L288-R292 WeakPolarHBondContact O-CG 3.39Å; L288-R292 PolarHBondContact O-N 2.86Å; N289-R292 PolarHBondContact OD1-NH1 2.89Å; E290-R292 VanDerWaalsContact C-N 3.27Å; E290-R292 PolarHBondContact O-N 2.78Å; R292-A296 WeakPolarHBondContact O-CB 3.44Å; R292-A296 PolarHBondContact O-N 2.92Å; R292-A365 HydrophobicContact CB-CB 4.38Å; R292-C366 PolarHBondContact NH1-SG 3.07Å; R292-C366 VanDerWaalsContact NH1-SG 3.4Å; R292-K369 HydrophobicContact CB-CB 4.03Å; R292-K369 HydrophobicContact CB-CG 4.14Å; R292-K369 HydrophobicContact CG-CB 4.33Å; R292-K369 HydrophobicContact CG-CG 4.15Å; R292-K369 WeakPolarHBondContact O-CB 3.33Å; R292-E412 PolarHBondContact NE-O 2.93Å; R292-Q418 VanDerWaalsContact CD-OE1 3.3Å
293	I	98.9	Very high	96.9	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-72.5	-39.8	176.4	-51.7	172.9	0	0	0	109.8	F116 I120 E290 G291 A296 A297 T348 A351 A352 F361 A365	F116-I293 HydrophobicContact CE1-CB 4.27Å; F116-I293 HydrophobicContact CE1-CD1 3.78Å; F116-I293 HydrophobicContact CE1-CG2 4.11Å; F116-I293 HydrophobicContact CZ-CB 4.07Å; F116-I293 HydrophobicContact CZ-CD1 4.02Å; F116-I293 HydrophobicContact CZ-CG2 4.32Å; I120-I293 HydrophobicContact CD1-CB 4.16Å; I120-I293 HydrophobicContact CD1-CG2 3.69Å; I120-I293 HydrophobicContact CG1-CG2 3.98Å; E290-I293 WeakPolarHBondContact O-CB 3.47Å; E290-I293 PolarHBondContact O-N 3.39Å; G291-I293 PolarHBondContact O-N 3.1Å; I293-A296 WeakPolarHBondContact O-CB 3.35Å; I293-A296 PolarHBondContact O-N 3.4Å; I293-A297 PolarHBondContact O-N 2.66Å; I293-T348 HydrophobicContact CG2-CG2 4.18Å; I293-A351 HydrophobicContact CD1-CB 3.97Å; I293-A351 HydrophobicContact CG1-CB 4.04Å; I293-A351 HydrophobicContact CG2-CB 4.43Å; I293-A352 HydrophobicContact CG2-CB 4.08Å; I293-F361 HydrophobicContact CD1-CD2 3.86Å; I293-F361 HydrophobicContact CD1-CE2 4.06Å; I293-A365 HydrophobicContact CD1-CB 4.13Å; I293-A365 HydrophobicContact CG1-CB 3.61Å
294	G	98.8	Very high	97	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-59.6	-47.4	172.9	0	0	0	0	0	112.6	I123 D138 E290 G291 A296 A297 Q298	I123-G294 WeakPolarHBondContact CG2-O 3.47Å; D138-G294 WeakPolarHBondContact OD1-CA 3.38Å; E290-G294 PolarHBondContact O-N 3.08Å; G291-G294 CarbonylContact O-C 3.44Å; G291-G294 WeakPolarHBondContact O-CA 3.43Å; G291-G294 PolarHBondContact O-N 3.19Å; G294-A296 VanDerWaalsContact C-N 3.3Å; G294-A296 PolarHBondContact O-N 3.25Å; G294-A297 VanDerWaalsContact O-CB 3.32Å; G294-A297 WeakPolarHBondContact O-CB 3.45Å; G294-A297 PolarHBondContact O-N 3.45Å; G294-A297 VanDerWaalsContact O-N 3.12Å; G294-Q298 PolarHBondContact O-N 3.07Å
295	I	98.9	Very high	97.2	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-60.8	-39.4	172.4	-62.1	-50.7	0	0	0	111.9	D138 G291 A297 Q298 M299 K369 Y411 E412	D138-I295 VanDerWaalsContact OD2-CD1 3.24Å; D138-I295 WeakPolarHBondContact OD2-CD1 3.49Å; G291-I295 WeakPolarHBondContact O-CG1 3.28Å; G291-I295 PolarHBondContact O-N 2.68Å; I295-A297 VanDerWaalsContact C-N 3.31Å; I295-A297 PolarHBondContact O-N 3.28Å; I295-Q298 PolarHBondContact O-N 3.21Å; I295-M299 HydrophobicContact CG2-CG 4.28Å; I295-M299 WeakPolarHBondContact O-CB 3.33Å; I295-M299 VanDerWaalsContact O-CG 3.27Å; I295-M299 WeakPolarHBondContact O-CG 3.24Å; I295-M299 PolarHBondContact O-N 2.86Å; I295-K369 HydrophobicContact CB-CG 4.2Å; I295-K369 HydrophobicContact CG2-CD 4.42Å; I295-K369 HydrophobicContact CG2-CG 4.01Å; I295-Y411 HydrophobicContact CB-CE1 4.42Å; I295-Y411 HydrophobicContact CD1-CE1 3.65Å; I295-Y411 HydrophobicContact CD1-CE2 4.04Å; I295-Y411 WeakPolarHBondContact CD1-OH 3.36Å; I295-Y411 HydrophobicContact CG1-CE1 4.01Å; I295-Y411 HydrophobicContact CG2-CD1 4.32Å; I295-Y411 HydrophobicContact CG2-CE1 3.52Å; I295-E412 HydrophobicContact CD1-CG 4.2Å; I295-E412 HydrophobicContact CG1-CB 3.85Å; I295-E412 HydrophobicContact CG1-CG 3.65Å
296	A	98.9	Very high	97.5	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-61.1	-42.5	175.3	0	0	0	0	0	111.5	R292 I293 G294 M299 V300 T348 A368 K369 S372	R292-A296 WeakPolarHBondContact O-CB 3.44Å; R292-A296 PolarHBondContact O-N 2.92Å; I293-A296 WeakPolarHBondContact O-CB 3.35Å; I293-A296 PolarHBondContact O-N 3.4Å; G294-A296 VanDerWaalsContact C-N 3.3Å; G294-A296 PolarHBondContact O-N 3.25Å; A296-M299 PolarHBondContact O-N 3.45Å; A296-V300 VanDerWaalsContact O-CG2 3.31Å; A296-V300 WeakPolarHBondContact O-CG2 3.35Å; A296-V300 PolarHBondContact O-N 3.18Å; A296-T348 HydrophobicContact CB-CG2 3.93Å; A296-T348 WeakPolarHBondContact CB-OG1 3.48Å; A296-A368 HydrophobicContact CB-CB 3.88Å; A296-K369 HydrophobicContact CB-CB 4.47Å; A296-S372 VanDerWaalsContact CA-OG 3.28Å; A296-S372 WeakPolarHBondContact CA-OG 3.38Å; A296-S372 WeakPolarHBondContact CB-OG 3.37Å
297	A	98.9	Very high	97.8	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-62.1	-43.1	175.1	0	0	0	0	0	112.2	I120 I123 E124 I293 G294 I295 M299 V300 G301 T348	I120-A297 HydrophobicContact CG2-CB 3.78Å; I123-A297 HydrophobicContact CB-CB 4.22Å; I123-A297 HydrophobicContact CG2-CB 4.04Å; E124-A297 HydrophobicContact CB-CB 4.34Å; I293-A297 PolarHBondContact O-N 2.66Å; G294-A297 VanDerWaalsContact O-CB 3.32Å; G294-A297 WeakPolarHBondContact O-CB 3.45Å; G294-A297 PolarHBondContact O-N 3.45Å; G294-A297 VanDerWaalsContact O-N 3.12Å; I295-A297 VanDerWaalsContact C-N 3.31Å; I295-A297 PolarHBondContact O-N 3.28Å; A297-M299 VanDerWaalsContact C-N 3.35Å; A297-M299 PolarHBondContact O-N 3.29Å; A297-V300 PolarHBondContact O-N 3.32Å; A297-G301 PolarHBondContact O-N 3.18Å; A297-T348 HydrophobicContact CB-CG2 4.11Å
298	Q	98.9	Very high	98.2	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-61.5	-43.3	175.3	-173.4	-148.7	33.2	0	0	111.3	I123 A127 P131 A134 G294 I295 G301 L302 Y411	I123-Q298 HydrophobicContact CG2-CB 3.88Å; A127-Q298 HydrophobicContact CB-CB 4.28Å; A127-Q298 HydrophobicContact CB-CG 3.85Å; A127-Q298 VanDerWaalsContact CB-O 3.28Å; A127-Q298 WeakPolarHBondContact CB-O 3.22Å; P131-Q298 HydrophobicContact CB-CG 4.47Å; P131-Q298 PolarHBondContact O-NE2 3.36Å; A134-Q298 HydrophobicContact CB-CG 3.94Å; G294-Q298 PolarHBondContact O-N 3.07Å; I295-Q298 PolarHBondContact O-N 3.21Å; Q298-G301 PolarHBondContact O-N 2.8Å; Q298-L302 WeakPolarHBondContact O-CB 3.12Å; Q298-L302 PolarHBondContact O-N 2.94Å; Q298-Y411 VanDerWaalsContact CD-OH 3.25Å; Q298-Y411 PolarHBondContact NE2-OH 3.46Å; Q298-Y411 PolarHBondContact OE1-OH 3.15Å
299	M	98.9	Very high	98.4	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-65.9	-39.9	177.1	-69.1	-59.9	108.5	0	0	112.5	I295 A296 A297 L302 A303 A376 G408	I295-M299 HydrophobicContact CG2-CG 4.28Å; I295-M299 WeakPolarHBondContact O-CB 3.33Å; I295-M299 VanDerWaalsContact O-CG 3.27Å; I295-M299 WeakPolarHBondContact O-CG 3.24Å; I295-M299 PolarHBondContact O-N 2.86Å; A296-M299 PolarHBondContact O-N 3.45Å; A297-M299 VanDerWaalsContact C-N 3.35Å; A297-M299 PolarHBondContact O-N 3.29Å; M299-L302 HydrophobicContact CE-CD2 3.24Å; M299-L302 HydrophobicContact SD-CD2 3.56Å; M299-L302 VanDerWaalsContact SD-CD2 3.56Å; M299-A303 VanDerWaalsContact O-CB 3.26Å; M299-A303 WeakPolarHBondContact O-CB 3.43Å; M299-A303 PolarHBondContact O-N 2.92Å; M299-A303 VanDerWaalsContact O-N 3.1Å; M299-A376 HydrophobicContact CB-CB 4.16Å; M299-A376 HydrophobicContact SD-CB 3.96Å; M299-G408 VanDerWaalsContact SD-CA 3.58Å
300	V	98.9	Very high	98.6	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.012	6%	0.059	C	C	.	.	H	α-helix	trans	-63.1	-47.5	172.9	171.2	0	0	0	0	110.4	E124 A296 A297 A303 Q304 A344 R345	E124-V300 HydrophobicContact CG-CG1 4.23Å; A296-V300 VanDerWaalsContact O-CG2 3.31Å; A296-V300 WeakPolarHBondContact O-CG2 3.35Å; A296-V300 PolarHBondContact O-N 3.18Å; A297-V300 PolarHBondContact O-N 3.32Å; V300-A303 PolarHBondContact O-N 2.79Å; V300-Q304 WeakPolarHBondContact O-CB 3.26Å; V300-Q304 PolarHBondContact O-N 3.44Å; V300-A344 HydrophobicContact CG2-CB 3.89Å; V300-R345 HydrophobicContact CG1-CB 3.98Å; V300-R345 HydrophobicContact CG1-CG 4.34Å
301	G	98.9	Very high	98.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61.2	-48.3	-179	0	0	0	0	0	112.3	E124 K128 A297 Q298 A303 Q304 G305	E124-G301 VanDerWaalsContact O-CA 3.3Å; E124-G301 WeakPolarHBondContact O-CA 3.41Å; K128-G301 VanDerWaalsContact CA-O 3.29Å; K128-G301 WeakPolarHBondContact CA-O 3.15Å; K128-G301 VanDerWaalsContact CG-O 3.23Å; K128-G301 WeakPolarHBondContact CG-O 3.38Å; A297-G301 PolarHBondContact O-N 3.18Å; Q298-G301 PolarHBondContact O-N 2.8Å; G301-A303 PolarHBondContact O-N 3.38Å; G301-Q304 PolarHBondContact O-N 2.64Å; G301-G305 PolarHBondContact O-N 3.03Å
302	L	98.8	Very high	98.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.1	-37.6	179.3	89	90.7	0	0	0	112.3	A127 P131 Q298 M299 C306 A376 T380 Y401 C405	A127-L302 VanDerWaalsContact O-CA 3.3Å; A127-L302 WeakPolarHBondContact O-CA 3.41Å; A127-L302 PolarHBondContact O-N 3.06Å; P131-L302 HydrophobicContact CB-CB 4.43Å; P131-L302 HydrophobicContact CG-CB 3.57Å; P131-L302 HydrophobicContact CG-CD2 4.37Å; Q298-L302 WeakPolarHBondContact O-CB 3.12Å; Q298-L302 PolarHBondContact O-N 2.94Å; M299-L302 HydrophobicContact CE-CD2 3.24Å; M299-L302 HydrophobicContact SD-CD2 3.56Å; M299-L302 VanDerWaalsContact SD-CD2 3.56Å; L302-C306 VanDerWaalsContact O-CB 3.26Å; L302-C306 WeakPolarHBondContact O-CB 3.08Å; L302-C306 PolarHBondContact O-N 3.26Å; L302-A376 HydrophobicContact CD1-CB 4.17Å; L302-A376 HydrophobicContact CD2-CB 4.46Å; L302-A376 HydrophobicContact CG-CB 4.32Å; L302-T380 HydrophobicContact CD1-CG2 3.74Å; L302-Y401 HydrophobicContact CB-CD1 4.06Å; L302-Y401 HydrophobicContact CB-CE1 4.38Å; L302-Y401 HydrophobicContact CD1-CD1 4.34Å; L302-C405 HydrophobicContact CD1-CB 3.55Å; L302-C405 HydrophobicContact CD2-CB 4.26Å
303	A	98.9	Very high	98.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.7	-45.1	175.6	0	0	0	0	0	110.2	M299 V300 G301 C306 F307 I341 A376 T379	M299-A303 VanDerWaalsContact O-CB 3.26Å; M299-A303 WeakPolarHBondContact O-CB 3.43Å; M299-A303 PolarHBondContact O-N 2.92Å; M299-A303 VanDerWaalsContact O-N 3.1Å; V300-A303 PolarHBondContact O-N 2.79Å; G301-A303 PolarHBondContact O-N 3.38Å; A303-C306 PolarHBondContact O-N 2.79Å; A303-F307 VanDerWaalsContact O-CB 3.28Å; A303-F307 WeakPolarHBondContact O-CB 3.28Å; A303-F307 PolarHBondContact O-N 3.18Å; A303-I341 HydrophobicContact CB-CD1 4.39Å; A303-I341 HydrophobicContact CB-CG1 4.18Å; A303-A376 HydrophobicContact CB-CB 4.3Å; A303-T379 HydrophobicContact CB-CG2 4.1Å; A303-T379 WeakPolarHBondContact O-CG2 3.31Å
304	Q	98.9	Very high	98.8	Very high	31 Å²	31	16.8 Å²	16.8	15%	0.145	9%	0.087	C	C	.	.	H	α-helix	trans	-63.3	-46.9	177	-171	65.5	61	0	0	111.8	K128 V300 G301 C306 F307 D308	K128-Q304 HydrophobicContact CD-CG 4.36Å; K128-Q304 HydrophobicContact CG-CB 4.26Å; V300-Q304 WeakPolarHBondContact O-CB 3.26Å; V300-Q304 PolarHBondContact O-N 3.44Å; G301-Q304 PolarHBondContact O-N 2.64Å; Q304-C306 PolarHBondContact O-N 3.09Å; Q304-F307 PolarHBondContact O-N 2.83Å; Q304-D308 PolarHBondContact NE2-OD1 2.92Å; Q304-D308 PolarHBondContact NE2-OD2 3.38Å; Q304-D308 WeakPolarHBondContact O-CB 3.35Å; Q304-D308 PolarHBondContact O-N 2.7Å
305	G	98.9	Very high	98.8	Very high	3 Å²	3	23.7 Å²	23.7	3%	0.031	11%	0.113	C	C	.	.	H	α-helix	trans	-59.5	-45.7	177.2	0	0	0	0	0	112.3	K128 G301 F307 D308 H309	K128-G305 WeakPolarHBondContact O-CA 3.36Å; G301-G305 PolarHBondContact O-N 3.03Å; G305-F307 PolarHBondContact O-N 2.99Å; G305-D308 PolarHBondContact O-N 3.12Å; G305-H309 PolarHBondContact O-CD2 3.38Å; G305-H309 PolarHBondContact O-N 3.19Å
306	C	98.9	Very high	98.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.3	-44.7	175.9	-168.3	0	0	0	0	112.3	L302 A303 Q304 H309 T310 T380 C383 Y401	L302-C306 VanDerWaalsContact O-CB 3.26Å; L302-C306 WeakPolarHBondContact O-CB 3.08Å; L302-C306 PolarHBondContact O-N 3.26Å; A303-C306 PolarHBondContact O-N 2.79Å; Q304-C306 PolarHBondContact O-N 3.09Å; C306-H309 PolarHBondContact O-N 2.95Å; C306-T310 WeakPolarHBondContact O-CB 3.43Å; C306-T310 PolarHBondContact O-N 2.79Å; C306-T310 VanDerWaalsContact O-N 3.13Å; C306-T310 PolarHBondContact O-OG1 3.45Å; C306-T380 HydrophobicContact CB-CG2 4Å; C306-C383 WeakPolarHBondContact SG-CB 3.39Å; C306-Y401 HydrophobicContact CB-CD1 4.27Å; C306-Y401 HydrophobicContact CB-CD2 3.91Å; C306-Y401 HydrophobicContact CB-CG 3.75Å
307	F	98.9	Very high	98.8	Very high	24 Å²	24	36.5 Å²	36.5	11%	0.105	17%	0.167	C	C	.	.	H	α-helix	trans	-63.6	-43.3	177.2	-173.6	-92	0	0	0	111.9	A303 Q304 G305 H309 T310 V311 I334 V337 A338 I341 T379 W386	A303-F307 VanDerWaalsContact O-CB 3.28Å; A303-F307 WeakPolarHBondContact O-CB 3.28Å; A303-F307 PolarHBondContact O-N 3.18Å; Q304-F307 PolarHBondContact O-N 2.83Å; G305-F307 PolarHBondContact O-N 2.99Å; F307-H309 VanDerWaalsContact C-N 3.34Å; F307-H309 PolarHBondContact O-N 2.97Å; F307-T310 PolarHBondContact O-N 3.28Å; F307-T310 VanDerWaalsContact O-N 3.08Å; F307-V311 HydrophobicContact CD1-CG2 3.83Å; F307-V311 HydrophobicContact CD2-CG2 4.14Å; F307-V311 HydrophobicContact CE1-CB 4.47Å; F307-V311 HydrophobicContact CE1-CG2 3.5Å; F307-V311 VanDerWaalsContact CE1-CG2 3.5Å; F307-V311 HydrophobicContact CE2-CG2 3.82Å; F307-V311 HydrophobicContact CG-CG2 4.15Å; F307-V311 HydrophobicContact CZ-CG2 3.49Å; F307-V311 VanDerWaalsContact CZ-CG2 3.49Å; F307-V311 WeakPolarHBondContact O-CG2 3.4Å; F307-V311 PolarHBondContact O-N 3.04Å; F307-I334 HydrophobicContact CE2-CG2 3.92Å; F307-I334 HydrophobicContact CZ-CG2 3.66Å; F307-V337 HydrophobicContact CD2-CG1 3.77Å; F307-V337 HydrophobicContact CE2-CB 4.36Å; F307-V337 HydrophobicContact CE2-CG1 3.97Å; F307-A338 HydrophobicContact CE2-CB 4.31Å; F307-A338 HydrophobicContact CZ-CB 3.84Å; F307-I341 HydrophobicContact CB-CD1 3.95Å; F307-I341 HydrophobicContact CD2-CD1 4.09Å; F307-I341 HydrophobicContact CG-CD1 4.04Å; F307-T379 HydrophobicContact CB-CG2 4.28Å; F307-W386 HydrophobicContact CD2-CH2 4.44Å; F307-W386 HydrophobicContact CD2-CZ3 4.05Å; F307-W386 HydrophobicContact CE2-CH2 4.25Å; F307-W386 HydrophobicContact CE2-CZ3 4.07Å
308	D	98.8	Very high	98.8	Very high	81 Å²	81	40 Å²	40	43%	0.433	19%	0.189	S	C	.	.	H	α-helix	trans	-69.9	-27.7	-178.2	-71	-14.3	0	0	0	112.9	Q304 G305 P312	Q304-D308 PolarHBondContact NE2-OD1 2.92Å; Q304-D308 PolarHBondContact NE2-OD2 3.38Å; Q304-D308 WeakPolarHBondContact O-CB 3.35Å; Q304-D308 PolarHBondContact O-N 2.7Å; G305-D308 PolarHBondContact O-N 3.12Å; D308-P312 WeakPolarHBondContact O-CD 3.39Å; D308-P312 WeakPolarHBondContact O-CG 3.41Å
309	H	98.4	Very high	98.7	Very high	98 Å²	98	44.3 Å²	44.3	45%	0.454	21%	0.209	S	C	.	.	H	α-helix	trans	-74.3	-36.2	167.9	-80	-69.2	0	0	0	112.4	G305 C306 F307 I398 Y401	G305-H309 PolarHBondContact O-CD2 3.38Å; G305-H309 PolarHBondContact O-N 3.19Å; C306-H309 PolarHBondContact O-N 2.95Å; F307-H309 VanDerWaalsContact C-N 3.34Å; F307-H309 PolarHBondContact O-N 2.97Å; H309-I398 HydrophobicContact CB-CD1 3.62Å; H309-Y401 AromaticContact CD2-CE2 3.92Å
310	T	98.9	Very high	98.7	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-83.1	-43.8	-170.1	-57.3	0	0	0	0	113.2	C306 F307 Y313 T314 C383 W386 M387 I398	C306-T310 WeakPolarHBondContact O-CB 3.43Å; C306-T310 PolarHBondContact O-N 2.79Å; C306-T310 VanDerWaalsContact O-N 3.13Å; C306-T310 PolarHBondContact O-OG1 3.45Å; F307-T310 PolarHBondContact O-N 3.28Å; F307-T310 VanDerWaalsContact O-N 3.08Å; T310-Y313 WeakPolarHBondContact O-CB 3.37Å; T310-Y313 PolarHBondContact O-N 3.42Å; T310-Y313 VanDerWaalsContact O-N 3.07Å; T310-T314 HydrophobicContact CG2-CG2 4.34Å; T310-T314 PolarHBondContact O-N 2.93Å; T310-C383 HydrophobicContact CG2-CB 4.03Å; T310-C383 VanDerWaalsContact OG1-CB 3.28Å; T310-C383 WeakPolarHBondContact OG1-CB 3.26Å; T310-W386 HydrophobicContact CG2-CB 4.01Å; T310-W386 HydrophobicContact CG2-CE3 3.82Å; T310-M387 HydrophobicContact CG2-CG 3.72Å; T310-M387 HydrophobicContact CG2-SD 4.41Å; T310-I398 WeakPolarHBondContact OG1-CD1 3.24Å
311	V	98.7	Very high	98.7	Very high	22 Å²	22	56.5 Å²	56.5	13%	0.133	28%	0.284	C	S	.	.	H	α-helix	trans	-59.7	-45.1	-177	171.5	0	0	0	0	112.3	F307 Y313 T314 R315 F325 I334	F307-V311 HydrophobicContact CD1-CG2 3.83Å; F307-V311 HydrophobicContact CD2-CG2 4.14Å; F307-V311 HydrophobicContact CE1-CB 4.47Å; F307-V311 HydrophobicContact CE1-CG2 3.5Å; F307-V311 VanDerWaalsContact CE1-CG2 3.5Å; F307-V311 HydrophobicContact CE2-CG2 3.82Å; F307-V311 HydrophobicContact CG-CG2 4.15Å; F307-V311 HydrophobicContact CZ-CG2 3.49Å; F307-V311 VanDerWaalsContact CZ-CG2 3.49Å; F307-V311 WeakPolarHBondContact O-CG2 3.4Å; F307-V311 PolarHBondContact O-N 3.04Å; V311-Y313 VanDerWaalsContact C-N 3.29Å; V311-Y313 PolarHBondContact O-N 2.96Å; V311-T314 PolarHBondContact O-N 3.34Å; V311-T314 VanDerWaalsContact O-N 3.14Å; V311-T314 PolarHBondContact O-OG1 3.08Å; V311-R315 WeakPolarHBondContact O-CG 3.42Å; V311-R315 PolarHBondContact O-N 3.21Å; V311-R315 VanDerWaalsContact O-N 3.14Å; V311-F325 HydrophobicContact CG1-CD2 4.45Å; V311-F325 HydrophobicContact CG1-CE2 4.22Å; V311-I334 HydrophobicContact CG2-CG2 4.09Å
312	P	98.8	Very high	98.6	Very high	57 Å²	57	60.4 Å²	60.4	37%	0.37	30%	0.301	S	S	.	.	H	α-helix	trans	-55.9	-40.8	172.9	-27.6	37.6	0	0	0	113.3	D308 T314 R315 Q316	D308-P312 WeakPolarHBondContact O-CD 3.39Å; D308-P312 WeakPolarHBondContact O-CG 3.41Å; P312-T314 PolarHBondContact O-N 2.83Å; P312-R315 WeakPolarHBondContact O-CB 3.36Å; P312-R315 PolarHBondContact O-N 3.35Å; P312-R315 VanDerWaalsContact O-N 3.13Å; P312-Q316 WeakPolarHBondContact O-CG 3.38Å; P312-Q316 PolarHBondContact O-N 2.83Å; P312-Q316 VanDerWaalsContact O-N 3.12Å
313	Y	98.7	Very high	98.6	Very high	34 Å²	34	64.9 Å²	64.9	13%	0.133	32%	0.318	C	S	.	.	H	α-helix	trans	-59.5	-46.3	175.3	172.9	-92.2	0	0	0	111.6	T310 V311 R315 Q316 R317 I324 M387 V390	T310-Y313 WeakPolarHBondContact O-CB 3.37Å; T310-Y313 PolarHBondContact O-N 3.42Å; T310-Y313 VanDerWaalsContact O-N 3.07Å; V311-Y313 VanDerWaalsContact C-N 3.29Å; V311-Y313 PolarHBondContact O-N 2.96Å; Y313-R315 PolarHBondContact O-N 3.08Å; Y313-Q316 PolarHBondContact O-N 3.4Å; Y313-R317 HydrophobicContact CD1-CB 4.43Å; Y313-R317 HydrophobicContact CE1-CB 4Å; Y313-R317 HydrophobicContact CE1-CG 4.19Å; Y313-R317 HydrophobicContact CE2-CB 4.26Å; Y313-R317 WeakPolarHBondContact O-CB 3.49Å; Y313-R317 PolarHBondContact O-N 3.36Å; Y313-I324 HydrophobicContact CE1-CD1 4.29Å; Y313-M387 HydrophobicContact CD1-CB 4.34Å; Y313-M387 HydrophobicContact CD1-CE 4.04Å; Y313-M387 HydrophobicContact CD1-CG 3.83Å; Y313-M387 HydrophobicContact CD2-CE 3.72Å; Y313-M387 HydrophobicContact CE1-CB 4.19Å; Y313-M387 HydrophobicContact CE1-CE 4.36Å; Y313-M387 HydrophobicContact CE1-CG 4.2Å; Y313-M387 HydrophobicContact CE2-CE 4.06Å; Y313-M387 HydrophobicContact CG-CE 3.7Å; Y313-M387 HydrophobicContact CG-CG 4.34Å; Y313-M387 HydrophobicContact CG-SD 4.46Å; Y313-M387 PolarHBondContact OH-O 2.97Å; Y313-V390 HydrophobicContact CE1-CG2 4.47Å; Y313-V390 HydrophobicContact CE2-CG2 3.95Å; Y313-V390 WeakPolarHBondContact OH-CG2 3.41Å
314	T	98.6	Very high	98.6	Very high	0 Å²	0	66 Å²	66	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62.8	-25.7	178	70.2	0	0	0	0	113.1	T310 V311 P312 I324 F325 W386	T310-T314 HydrophobicContact CG2-CG2 4.34Å; T310-T314 PolarHBondContact O-N 2.93Å; V311-T314 PolarHBondContact O-N 3.34Å; V311-T314 VanDerWaalsContact O-N 3.14Å; V311-T314 PolarHBondContact O-OG1 3.08Å; P312-T314 PolarHBondContact O-N 2.83Å; T314-I324 HydrophobicContact CG2-CG2 4.15Å; T314-I324 PolarHBondContact O-N 3.01Å; T314-F325 PolarHBondContact O-N 3.35Å; T314-W386 HydrophobicContact CG2-CB 4.18Å
315	R	98.5	Very high	98.6	Very high	145 Å²	145	67.2 Å²	67.2	55%	0.547	33%	0.328	S	S	.	.	H	α-helix	trans	-83	-14.7	175.7	-66.9	177.7	64.6	-176.1	0.3	113.4	V311 P312 Y313 R323 F325	V311-R315 WeakPolarHBondContact O-CG 3.42Å; V311-R315 PolarHBondContact O-N 3.21Å; V311-R315 VanDerWaalsContact O-N 3.14Å; P312-R315 WeakPolarHBondContact O-CB 3.36Å; P312-R315 PolarHBondContact O-N 3.35Å; P312-R315 VanDerWaalsContact O-N 3.13Å; Y313-R315 PolarHBondContact O-N 3.08Å; R315-R323 WeakPolarHBondContact O-CD 3.41Å; R315-F325 HydrophobicContact CG-CB 4.03Å; R315-F325 HydrophobicContact CG-CD2 3.95Å; R315-F325 HydrophobicContact CG-CG 3.97Å
316	Q	98.4	Very high	98.6	Very high	150 Å²	150	69.4 Å²	69.4	70%	0.701	34%	0.339	S	S	*	.	H	α-helix	trans	-102.6	-39.2	179.1	-68.8	171.6	4.8	0	0	111.9	P312 Y313	P312-Q316 WeakPolarHBondContact O-CG 3.38Å; P312-Q316 PolarHBondContact O-N 2.83Å; P312-Q316 VanDerWaalsContact O-N 3.12Å; Y313-Q316 PolarHBondContact O-N 3.4Å
317	R	98.4	Very high	98.6	Very high	119 Å²	119	72.1 Å²	72.1	45%	0.449	35%	0.351	S	S	.	.			trans	-74.3	131.6	-176.5	-177.2	63.8	-177.1	-165	0.1	111.4	Y313 R323 I324	Y313-R317 HydrophobicContact CD1-CB 4.43Å; Y313-R317 HydrophobicContact CE1-CB 4Å; Y313-R317 HydrophobicContact CE1-CG 4.19Å; Y313-R317 HydrophobicContact CE2-CB 4.26Å; Y313-R317 WeakPolarHBondContact O-CB 3.49Å; Y313-R317 PolarHBondContact O-N 3.36Å; R317-R323 CarbonylContact O-C 3.54Å; R317-R323 VanDerWaalsContact O-CA 3.31Å; R317-R323 WeakPolarHBondContact O-CA 3.42Å; R317-I324 HydrophobicContact CB-CD1 3.76Å; R317-I324 HydrophobicContact CB-CG1 4.18Å; R317-I324 HydrophobicContact CG-CD1 3.38Å; R317-I324 HydrophobicContact CG-CG1 4.01Å; R317-I324 PolarHBondContact O-N 2.84Å
318	V	98.6	Very high	98.6	Very high	74 Å²	74	77.4 Å²	77.4	45%	0.448	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	133.6	180	174.6	0	0	0	0	110.8	K322 R323	V318-K322 VanDerWaalsContact CA-O 3.3Å; V318-K322 WeakPolarHBondContact CA-O 3.45Å; V318-K322 WeakPolarHBondContact CG1-O 3.44Å; V318-R323 HydrophobicContact CG2-CG 4.47Å
319	Q	98.5	Very high	98.6	Very high	90 Å²	90	75.7 Å²	75.7	42%	0.421	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	148	169.1	-75	-62.3	-77	0	0	109.2	G321 K322 F327	Q319-G321 PolarHBondContact O-N 3.03Å; Q319-G321 VanDerWaalsContact O-N 3.1Å; Q319-K322 PolarHBondContact N-O 3.34Å; Q319-K322 PolarHBondContact O-N 2.88Å; Q319-K322 VanDerWaalsContact O-N 3.12Å; Q319-F327 WeakPolarHBondContact O-CZ 3.18Å
320	F	98	Very high	98.6	Very high	183 Å²	183	72.4 Å²	72.4	80%	0.803	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	36.9	-175.4	-48.2	-84.1	0	0	0	113.3	K322 F327	F320-K322 VanDerWaalsContact C-N 3.33Å; F320-K322 PolarHBondContact O-N 3.25Å; F320-F327 HydrophobicContact CB-CZ 4.08Å; F320-F327 HydrophobicContact CD2-CE1 4.2Å; F320-F327 AromaticContact CD2-CZ 3.78Å; F320-F327 HydrophobicContact CD2-CZ 3.78Å; F320-F327 HydrophobicContact CG-CZ 4.38Å
321	G	98.3	Very high	98.6	Very high	76 Å²	76	76 Å²	76	78%	0.784	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	4.2	177.2	0	0	0	0	0	116.8	Q319	Q319-G321 PolarHBondContact O-N 3.03Å; Q319-G321 VanDerWaalsContact O-N 3.1Å
322	K	98.1	Very high	98.6	Very high	82 Å²	82	80.5 Å²	80.5	36%	0.357	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	164.8	175.9	64.6	-180	-177.5	167.9	0	112.7	V318 Q319 F320 D326 F327	V318-K322 VanDerWaalsContact CA-O 3.3Å; V318-K322 WeakPolarHBondContact CA-O 3.45Å; V318-K322 WeakPolarHBondContact CG1-O 3.44Å; Q319-K322 PolarHBondContact N-O 3.34Å; Q319-K322 PolarHBondContact O-N 2.88Å; Q319-K322 VanDerWaalsContact O-N 3.12Å; F320-K322 VanDerWaalsContact C-N 3.33Å; F320-K322 PolarHBondContact O-N 3.25Å; K322-D326 HydrophobicContact CB-CB 4.29Å; K322-D326 HydrophobicContact CD-CB 4.1Å; K322-D326 HydrophobicContact CG-CB 4.4Å; K322-D326 PolarHBondContact NZ-O 3.38Å; K322-F327 HydrophobicContact CD-CE1 4.3Å; K322-F327 HydrophobicContact CD-CE2 4.23Å; K322-F327 HydrophobicContact CD-CZ 4.1Å; K322-F327 HydrophobicContact CG-CD2 4.31Å; K322-F327 HydrophobicContact CG-CE1 4.35Å; K322-F327 HydrophobicContact CG-CE2 3.66Å; K322-F327 HydrophobicContact CG-CZ 3.67Å
323	R	98.7	Very high	98.6	Very high	94 Å²	94	81 Å²	81	36%	0.355	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	149.8	178.4	-54.9	174.9	-66.5	176	8.2	109.8	R315 R317 V318 F325 D326 F327	R315-R323 WeakPolarHBondContact O-CD 3.41Å; R317-R323 CarbonylContact O-C 3.54Å; R317-R323 VanDerWaalsContact O-CA 3.31Å; R317-R323 WeakPolarHBondContact O-CA 3.42Å; V318-R323 HydrophobicContact CG2-CG 4.47Å; R323-F325 PolarHBondContact O-N 3.45Å; R323-D326 VanDerWaalsContact CB-OD2 3.31Å; R323-D326 WeakPolarHBondContact CB-OD2 3.23Å; R323-D326 WeakPolarHBondContact CG-OD2 3.15Å; R323-D326 IonicContact CZ-OD1 3.52Å; R323-D326 IonicContact CZ-OD2 3.49Å; R323-D326 PolarHBondContact N-OD2 2.83Å; R323-D326 IonicContact NE-OD1 3.59Å; R323-D326 PolarHBondContact NE-OD1 2.88Å; R323-D326 IonicContact NE-OD2 3.07Å; R323-D326 PolarHBondContact NE-OD2 3.07Å; R323-D326 IonicContact NH2-OD1 3.58Å; R323-D326 PolarHBondContact NH2-OD1 3.29Å; R323-D326 IonicContact NH2-OD2 3.9Å; R323-D326 WeakPolarHBondContact O-CB 3.45Å; R323-D326 PolarHBondContact O-N 3.39Å; R323-F327 WeakPolarHBondContact O-CD2 3.29Å
324	I	98.7	Very high	98.6	Very high	24 Å²	24	79.9 Å²	79.9	12%	0.123	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-55.8	-37.9	173.2	-66.9	-178.2	0	0	0	110.5	Y313 T314 R317 D326 F327 M330	Y313-I324 HydrophobicContact CE1-CD1 4.29Å; T314-I324 HydrophobicContact CG2-CG2 4.15Å; T314-I324 PolarHBondContact O-N 3.01Å; R317-I324 HydrophobicContact CB-CD1 3.76Å; R317-I324 HydrophobicContact CB-CG1 4.18Å; R317-I324 HydrophobicContact CG-CD1 3.38Å; R317-I324 HydrophobicContact CG-CG1 4.01Å; R317-I324 PolarHBondContact O-N 2.84Å; I324-D326 PolarHBondContact O-N 2.84Å; I324-F327 WeakPolarHBondContact O-CD2 3.09Å; I324-F327 PolarHBondContact O-N 3.2Å; I324-M330 HydrophobicContact CG2-CE 3.85Å; I324-M330 HydrophobicContact CG2-CG 4.02Å; I324-M330 HydrophobicContact CG2-SD 4.34Å; I324-M330 WeakPolarHBondContact O-CB 3.37Å; I324-M330 WeakPolarHBondContact O-CG 3.34Å
325	F	98.8	Very high	98.6	Very high	55 Å²	55	82.5 Å²	82.5	24%	0.241	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-60.7	-22.9	175.5	-167	-86.5	0	0	0	113.9	V311 T314 R315 R323 F327 Q331 I334	V311-F325 HydrophobicContact CG1-CD2 4.45Å; V311-F325 HydrophobicContact CG1-CE2 4.22Å; T314-F325 PolarHBondContact O-N 3.35Å; R315-F325 HydrophobicContact CG-CB 4.03Å; R315-F325 HydrophobicContact CG-CD2 3.95Å; R315-F325 HydrophobicContact CG-CG 3.97Å; R323-F325 PolarHBondContact O-N 3.45Å; F325-F327 VanDerWaalsContact C-N 3.32Å; F325-F327 PolarHBondContact O-N 3.33Å; F325-Q331 HydrophobicContact CD1-CG 4.49Å; F325-Q331 HydrophobicContact CE1-CG 4.36Å; F325-Q331 WeakPolarHBondContact O-CG 3.39Å; F325-Q331 PolarHBondContact O-NE2 3.11Å; F325-I334 HydrophobicContact CD2-CD1 3.64Å; F325-I334 HydrophobicContact CE2-CD1 3.84Å; F325-I334 HydrophobicContact CE2-CG2 4.2Å
326	D	98.8	Very high	98.6	Very high	50 Å²	50	80.2 Å²	80.2	27%	0.267	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-89.2	6	-175.6	-59.5	-33.1	0	0	0	113.4	K322 R323 I324	K322-D326 HydrophobicContact CB-CB 4.29Å; K322-D326 HydrophobicContact CD-CB 4.1Å; K322-D326 HydrophobicContact CG-CB 4.4Å; K322-D326 PolarHBondContact NZ-O 3.38Å; R323-D326 VanDerWaalsContact CB-OD2 3.31Å; R323-D326 WeakPolarHBondContact CB-OD2 3.23Å; R323-D326 WeakPolarHBondContact CG-OD2 3.15Å; R323-D326 IonicContact CZ-OD1 3.52Å; R323-D326 IonicContact CZ-OD2 3.49Å; R323-D326 PolarHBondContact N-OD2 2.83Å; R323-D326 IonicContact NE-OD1 3.59Å; R323-D326 PolarHBondContact NE-OD1 2.88Å; R323-D326 IonicContact NE-OD2 3.07Å; R323-D326 PolarHBondContact NE-OD2 3.07Å; R323-D326 IonicContact NH2-OD1 3.58Å; R323-D326 PolarHBondContact NH2-OD1 3.29Å; R323-D326 IonicContact NH2-OD2 3.9Å; R323-D326 WeakPolarHBondContact O-CB 3.45Å; R323-D326 PolarHBondContact O-N 3.39Å; I324-D326 PolarHBondContact O-N 2.84Å
327	F	98.8	Very high	98.7	Very high	57 Å²	57	73.2 Å²	73.2	25%	0.25	38%	0.376	C	S	.	.	S	Bend	trans	-86.1	124.1	167.6	-66.6	-92.4	0	0	0	109	Q319 F320 K322 R323 I324 F325 G329 M330 Q331	Q319-F327 WeakPolarHBondContact O-CZ 3.18Å; F320-F327 HydrophobicContact CB-CZ 4.08Å; F320-F327 HydrophobicContact CD2-CE1 4.2Å; F320-F327 AromaticContact CD2-CZ 3.78Å; F320-F327 HydrophobicContact CD2-CZ 3.78Å; F320-F327 HydrophobicContact CG-CZ 4.38Å; K322-F327 HydrophobicContact CD-CE1 4.3Å; K322-F327 HydrophobicContact CD-CE2 4.23Å; K322-F327 HydrophobicContact CD-CZ 4.1Å; K322-F327 HydrophobicContact CG-CD2 4.31Å; K322-F327 HydrophobicContact CG-CE1 4.35Å; K322-F327 HydrophobicContact CG-CE2 3.66Å; K322-F327 HydrophobicContact CG-CZ 3.67Å; R323-F327 WeakPolarHBondContact O-CD2 3.29Å; I324-F327 WeakPolarHBondContact O-CD2 3.09Å; I324-F327 PolarHBondContact O-N 3.2Å; F325-F327 VanDerWaalsContact C-N 3.32Å; F325-F327 PolarHBondContact O-N 3.33Å; F327-G329 PolarHBondContact O-N 3.32Å; F327-M330 HydrophobicContact CB-CB 4.26Å; F327-M330 HydrophobicContact CB-CG 3.93Å; F327-M330 WeakPolarHBondContact O-CA 3.41Å; F327-M330 VanDerWaalsContact O-CB 3.3Å; F327-M330 WeakPolarHBondContact O-CB 3.19Å; F327-M330 PolarHBondContact O-N 2.82Å; F327-Q331 PolarHBondContact O-N 2.94Å
328	Q	98.7	Very high	98.7	Very high	135 Å²	135	69.4 Å²	69.4	63%	0.631	37%	0.37	S	S	*	.	H	α-helix	trans	-54.7	-41.1	-177.8	-176.1	-178.9	52.2	0	0	112.5	M330 Q331 H332	Q328-M330 PolarHBondContact O-N 3.12Å; Q328-Q331 PolarHBondContact O-N 2.89Å; Q328-Q331 VanDerWaalsContact O-N 3.14Å; Q328-H332 WeakPolarHBondContact CG-NE2 3.43Å; Q328-H332 PolarHBondContact O-CD2 2.98Å; Q328-H332 PolarHBondContact O-N 3.22Å
329	G	98.6	Very high	98.7	Very high	44 Å²	44	70.2 Å²	70.2	45%	0.454	38%	0.376	S	S	.	.	H	α-helix	trans	-59.3	-32.7	174.9	0	0	0	0	0	113.7	F327 Q333	F327-G329 PolarHBondContact O-N 3.32Å; G329-Q333 WeakPolarHBondContact O-CG 3.35Å; G329-Q333 PolarHBondContact O-N 3.07Å; G329-Q333 PolarHBondContact O-NE2 2.82Å
330	M	98.6	Very high	98.7	Very high	29 Å²	29	68.2 Å²	68.2	14%	0.143	37%	0.366	C	S	.	.	H	α-helix	trans	-73.1	-43.5	173.6	-66.7	-60.2	-55	0	0	111.5	I324 F327 Q328 H332 Q333 I334 W386	I324-M330 HydrophobicContact CG2-CE 3.85Å; I324-M330 HydrophobicContact CG2-CG 4.02Å; I324-M330 HydrophobicContact CG2-SD 4.34Å; I324-M330 WeakPolarHBondContact O-CB 3.37Å; I324-M330 WeakPolarHBondContact O-CG 3.34Å; F327-M330 HydrophobicContact CB-CB 4.26Å; F327-M330 HydrophobicContact CB-CG 3.93Å; F327-M330 WeakPolarHBondContact O-CA 3.41Å; F327-M330 VanDerWaalsContact O-CB 3.3Å; F327-M330 WeakPolarHBondContact O-CB 3.19Å; F327-M330 PolarHBondContact O-N 2.82Å; Q328-M330 PolarHBondContact O-N 3.12Å; M330-H332 VanDerWaalsContact C-N 3.31Å; M330-H332 PolarHBondContact O-N 2.93Å; M330-Q333 PolarHBondContact O-N 2.83Å; M330-I334 WeakPolarHBondContact O-CB 3.36Å; M330-I334 VanDerWaalsContact O-CG1 3.29Å; M330-I334 WeakPolarHBondContact O-CG1 3.46Å; M330-I334 PolarHBondContact O-N 3.07Å; M330-W386 HydrophobicContact CE-CB 3.68Å; M330-W386 HydrophobicContact CE-CD2 4.1Å; M330-W386 HydrophobicContact CE-CG 3.36Å
331	Q	98.9	Very high	98.8	Very high	76 Å²	76	59.6 Å²	59.6	36%	0.355	33%	0.328	S	S	.	.	H	α-helix	trans	-59.9	-41.7	178.4	-64.9	177.6	-16.1	0	0	111.9	F325 F327 Q328 I334 A335	F325-Q331 HydrophobicContact CD1-CG 4.49Å; F325-Q331 HydrophobicContact CE1-CG 4.36Å; F325-Q331 WeakPolarHBondContact O-CG 3.39Å; F325-Q331 PolarHBondContact O-NE2 3.11Å; F327-Q331 PolarHBondContact O-N 2.94Å; Q328-Q331 PolarHBondContact O-N 2.89Å; Q328-Q331 VanDerWaalsContact O-N 3.14Å; Q331-I334 PolarHBondContact O-N 2.81Å; Q331-A335 VanDerWaalsContact O-CB 3.23Å; Q331-A335 WeakPolarHBondContact O-CB 3.4Å; Q331-A335 PolarHBondContact O-N 2.85Å
332	H	98.9	Very high	98.8	Very high	117 Å²	117	59.3 Å²	59.3	54%	0.542	31%	0.307	S	S	.	.	H	α-helix	trans	-62.3	-43.9	176.7	-67.2	179.7	0	0	0	111.9	Q328 M330 H336	Q328-H332 WeakPolarHBondContact CG-NE2 3.43Å; Q328-H332 PolarHBondContact O-CD2 2.98Å; Q328-H332 PolarHBondContact O-N 3.22Å; M330-H332 VanDerWaalsContact C-N 3.31Å; M330-H332 PolarHBondContact O-N 2.93Å; H332-H336 VanDerWaalsContact O-CB 3.25Å; H332-H336 WeakPolarHBondContact O-CB 3.24Å; H332-H336 PolarHBondContact O-N 2.72Å
333	Q	98.9	Very high	98.8	Very high	66 Å²	66	57.1 Å²	57.1	31%	0.308	30%	0.304	S	S	.	.	H	α-helix	trans	-65.6	-45.5	177.8	-70.1	177.6	49.9	0	0	111.9	G329 M330 H336 V337 W386	G329-Q333 WeakPolarHBondContact O-CG 3.35Å; G329-Q333 PolarHBondContact O-N 3.07Å; G329-Q333 PolarHBondContact O-NE2 2.82Å; M330-Q333 PolarHBondContact O-N 2.83Å; Q333-H336 PolarHBondContact O-N 3.06Å; Q333-V337 WeakPolarHBondContact O-CB 3.17Å; Q333-V337 WeakPolarHBondContact O-CG2 3.29Å; Q333-V337 PolarHBondContact O-N 2.76Å; Q333-W386 HydrophobicContact CB-CZ2 3.75Å
334	I	98.9	Very high	98.8	Very high	12 Å²	12	52.7 Å²	52.7	6%	0.062	29%	0.287	C	S	.	.	H	α-helix	trans	-61.9	-46.2	178.1	-68.4	169	0	0	0	110.5	F307 V311 F325 M330 Q331 V337 A338 W386	F307-I334 HydrophobicContact CE2-CG2 3.92Å; F307-I334 HydrophobicContact CZ-CG2 3.66Å; V311-I334 HydrophobicContact CG2-CG2 4.09Å; F325-I334 HydrophobicContact CD2-CD1 3.64Å; F325-I334 HydrophobicContact CE2-CD1 3.84Å; F325-I334 HydrophobicContact CE2-CG2 4.2Å; M330-I334 WeakPolarHBondContact O-CB 3.36Å; M330-I334 VanDerWaalsContact O-CG1 3.29Å; M330-I334 WeakPolarHBondContact O-CG1 3.46Å; M330-I334 PolarHBondContact O-N 3.07Å; Q331-I334 PolarHBondContact O-N 2.81Å; I334-V337 PolarHBondContact O-N 2.85Å; I334-A338 WeakPolarHBondContact O-CB 3.49Å; I334-A338 PolarHBondContact O-N 3.18Å; I334-W386 HydrophobicContact CB-CH2 4.39Å; I334-W386 HydrophobicContact CG1-CD2 4.32Å; I334-W386 HydrophobicContact CG1-CE3 4.1Å; I334-W386 HydrophobicContact CG1-CH2 3.89Å; I334-W386 HydrophobicContact CG1-CZ2 4.11Å; I334-W386 HydrophobicContact CG1-CZ3 3.88Å
335	A	98.9	Very high	98.9	Very high	54 Å²	54	52.5 Å²	52.5	45%	0.446	29%	0.285	S	S	.	.	H	α-helix	trans	-62.9	-44.6	177.9	0	0	0	0	0	111.7	Q331 V337 A338 T339	Q331-A335 VanDerWaalsContact O-CB 3.23Å; Q331-A335 WeakPolarHBondContact O-CB 3.4Å; Q331-A335 PolarHBondContact O-N 2.85Å; A335-V337 PolarHBondContact O-N 3.21Å; A335-A338 PolarHBondContact O-N 3.27Å; A335-T339 PolarHBondContact O-N 3.21Å; A335-T339 PolarHBondContact O-OG1 2.6Å; A335-T339 VanDerWaalsContact O-OG1 3.06Å
336	H	98.9	Very high	98.9	Very high	98 Å²	98	52.7 Å²	52.7	45%	0.454	29%	0.289	S	S	.	.	H	α-helix	trans	-58	-50.4	176.5	174.7	69.1	0	0	0	111.6	H332 Q333 A338 T339 Q340	H332-H336 VanDerWaalsContact O-CB 3.25Å; H332-H336 WeakPolarHBondContact O-CB 3.24Å; H332-H336 PolarHBondContact O-N 2.72Å; Q333-H336 PolarHBondContact O-N 3.06Å; H336-A338 PolarHBondContact O-N 2.9Å; H336-T339 WeakPolarHBondContact O-CB 3.37Å; H336-T339 PolarHBondContact O-N 3.09Å; H336-Q340 VanDerWaalsContact O-CG 3.3Å; H336-Q340 WeakPolarHBondContact O-CG 3.35Å; H336-Q340 PolarHBondContact O-N 3.4Å
337	V	98.9	Very high	98.9	Very high	2 Å²	2	53 Å²	53	1%	0.012	29%	0.29	C	S	.	.	H	α-helix	trans	-62.6	-43.1	178.5	168.2	0	0	0	0	111.5	F307 Q333 I334 A335 T339 Q340 I341 L378 T379 K382 W386	F307-V337 HydrophobicContact CD2-CG1 3.77Å; F307-V337 HydrophobicContact CE2-CB 4.36Å; F307-V337 HydrophobicContact CE2-CG1 3.97Å; Q333-V337 WeakPolarHBondContact O-CB 3.17Å; Q333-V337 WeakPolarHBondContact O-CG2 3.29Å; Q333-V337 PolarHBondContact O-N 2.76Å; I334-V337 PolarHBondContact O-N 2.85Å; A335-V337 PolarHBondContact O-N 3.21Å; V337-T339 VanDerWaalsContact C-N 3.32Å; V337-T339 PolarHBondContact O-N 3.11Å; V337-Q340 WeakPolarHBondContact O-CB 3.26Å; V337-Q340 PolarHBondContact O-N 3.17Å; V337-Q340 VanDerWaalsContact O-N 3.11Å; V337-I341 HydrophobicContact CG1-CD1 3.95Å; V337-I341 HydrophobicContact CG1-CG1 4.42Å; V337-I341 WeakPolarHBondContact O-CG1 3.34Å; V337-I341 PolarHBondContact O-N 3.02Å; V337-L378 HydrophobicContact CG2-CG 4.47Å; V337-T379 HydrophobicContact CG1-CG2 3.77Å; V337-T379 WeakPolarHBondContact CG1-OG1 3.35Å; V337-K382 HydrophobicContact CG2-CB 4.48Å; V337-K382 HydrophobicContact CG2-CG 4.44Å; V337-W386 HydrophobicContact CB-CH2 3.82Å; V337-W386 HydrophobicContact CB-CZ2 4.45Å; V337-W386 HydrophobicContact CG1-CH2 4.08Å; V337-W386 HydrophobicContact CG2-CH2 3.73Å; V337-W386 HydrophobicContact CG2-CZ2 3.93Å
338	A	98.9	Very high	98.9	Very high	39 Å²	39	50.3 Å²	50.3	32%	0.322	28%	0.278	S	S	.	.	H	α-helix	trans	-59.2	-41.7	176.6	0	0	0	0	0	112.3	F307 I334 A335 H336 Q340 I341 E342	F307-A338 HydrophobicContact CE2-CB 4.31Å; F307-A338 HydrophobicContact CZ-CB 3.84Å; I334-A338 WeakPolarHBondContact O-CB 3.49Å; I334-A338 PolarHBondContact O-N 3.18Å; A335-A338 PolarHBondContact O-N 3.27Å; H336-A338 PolarHBondContact O-N 2.9Å; A338-Q340 VanDerWaalsContact C-N 3.34Å; A338-Q340 PolarHBondContact O-N 3.38Å; A338-I341 PolarHBondContact O-N 3.16Å; A338-E342 PolarHBondContact O-N 3.17Å; A338-E342 VanDerWaalsContact O-N 3.09Å
339	T	98.9	Very high	98.9	Very high	91 Å²	91	44 Å²	44	56%	0.558	25%	0.248	S	C	*	.	H	α-helix	trans	-62	-41.2	174.3	-58.5	0	0	0	0	112	A335 H336 V337 E342 A343	A335-T339 PolarHBondContact O-N 3.21Å; A335-T339 PolarHBondContact O-OG1 2.6Å; A335-T339 VanDerWaalsContact O-OG1 3.06Å; H336-T339 WeakPolarHBondContact O-CB 3.37Å; H336-T339 PolarHBondContact O-N 3.09Å; V337-T339 VanDerWaalsContact C-N 3.32Å; V337-T339 PolarHBondContact O-N 3.11Å; T339-E342 PolarHBondContact O-N 3.11Å; T339-A343 WeakPolarHBondContact O-CB 3.33Å; T339-A343 PolarHBondContact O-N 2.82Å
340	Q	98.9	Very high	98.9	Very high	48 Å²	48	44.9 Å²	44.9	22%	0.224	24%	0.243	C	C	.	.	H	α-helix	trans	-65.2	-43.4	179	-67.3	-67.5	-48.2	0	0	111.9	H336 V337 A338 E342 A343 A344 V375 L378	H336-Q340 VanDerWaalsContact O-CG 3.3Å; H336-Q340 WeakPolarHBondContact O-CG 3.35Å; H336-Q340 PolarHBondContact O-N 3.4Å; V337-Q340 WeakPolarHBondContact O-CB 3.26Å; V337-Q340 PolarHBondContact O-N 3.17Å; V337-Q340 VanDerWaalsContact O-N 3.11Å; A338-Q340 VanDerWaalsContact C-N 3.34Å; A338-Q340 PolarHBondContact O-N 3.38Å; Q340-E342 VanDerWaalsContact C-N 3.32Å; Q340-E342 PolarHBondContact O-N 2.84Å; Q340-A343 PolarHBondContact O-N 3.41Å; Q340-A344 WeakPolarHBondContact O-CB 3.42Å; Q340-A344 PolarHBondContact O-N 2.99Å; Q340-V375 HydrophobicContact CB-CB 4.49Å; Q340-V375 HydrophobicContact CB-CG1 3.85Å; Q340-V375 HydrophobicContact CB-CG2 3.83Å; Q340-L378 HydrophobicContact CG-CD2 4.45Å
341	I	98.9	Very high	98.9	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-60.6	-44.2	176	-64.1	168.1	0	0	0	110.3	A303 F307 V337 A338 A344 R345 V375 T379	A303-I341 HydrophobicContact CB-CD1 4.39Å; A303-I341 HydrophobicContact CB-CG1 4.18Å; F307-I341 HydrophobicContact CB-CD1 3.95Å; F307-I341 HydrophobicContact CD2-CD1 4.09Å; F307-I341 HydrophobicContact CG-CD1 4.04Å; V337-I341 HydrophobicContact CG1-CD1 3.95Å; V337-I341 HydrophobicContact CG1-CG1 4.42Å; V337-I341 WeakPolarHBondContact O-CG1 3.34Å; V337-I341 PolarHBondContact O-N 3.02Å; A338-I341 PolarHBondContact O-N 3.16Å; I341-A344 PolarHBondContact O-N 2.9Å; I341-R345 PolarHBondContact O-N 3.37Å; I341-V375 HydrophobicContact CG1-CG1 3.96Å; I341-T379 HydrophobicContact CD1-CG2 3.95Å
342	E	98.9	Very high	98.9	Very high	70 Å²	70	39.9 Å²	39.9	33%	0.327	22%	0.219	S	C	.	.	H	α-helix	trans	-64.8	-42.8	179.1	-172.7	60.2	-168.7	0	0	112.4	Q53 A338 T339 Q340 A344 R345 L346	Q53-E342 PolarHBondContact NE2-OE1 3.03Å; A338-E342 PolarHBondContact O-N 3.17Å; A338-E342 VanDerWaalsContact O-N 3.09Å; T339-E342 PolarHBondContact O-N 3.11Å; Q340-E342 VanDerWaalsContact C-N 3.32Å; Q340-E342 PolarHBondContact O-N 2.84Å; E342-A344 VanDerWaalsContact C-N 3.31Å; E342-A344 PolarHBondContact O-N 2.71Å; E342-R345 PolarHBondContact O-N 2.78Å; E342-R345 IonicContact OE2-CZ 3.6Å; E342-R345 IonicContact OE2-NH1 2.72Å; E342-R345 PolarHBondContact OE2-NH1 3.06Å; E342-L346 WeakPolarHBondContact O-CG 3.44Å; E342-L346 PolarHBondContact O-N 2.96Å
343	A	98.9	Very high	98.9	Very high	36 Å²	36	37.6 Å²	37.6	30%	0.298	21%	0.206	S	C	.	.	H	α-helix	trans	-60.6	-40.7	174.1	0	0	0	0	0	112.1	T339 Q340 L346 L347 F371	T339-A343 WeakPolarHBondContact O-CB 3.33Å; T339-A343 PolarHBondContact O-N 2.82Å; Q340-A343 PolarHBondContact O-N 3.41Å; A343-L346 PolarHBondContact O-N 2.99Å; A343-L347 WeakPolarHBondContact O-CG 3.27Å; A343-L347 PolarHBondContact O-N 2.83Å; A343-L347 VanDerWaalsContact O-N 3.08Å; A343-F371 HydrophobicContact CB-CE1 3.75Å; A343-F371 HydrophobicContact CB-CZ 4.15Å
344	A	98.9	Very high	98.9	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-65.2	-40.1	176.8	0	0	0	0	0	112.6	V300 Q340 I341 E342 L347 T348 F371 V375	V300-A344 HydrophobicContact CG2-CB 3.89Å; Q340-A344 WeakPolarHBondContact O-CB 3.42Å; Q340-A344 PolarHBondContact O-N 2.99Å; I341-A344 PolarHBondContact O-N 2.9Å; E342-A344 VanDerWaalsContact C-N 3.31Å; E342-A344 PolarHBondContact O-N 2.71Å; A344-L347 PolarHBondContact O-N 2.86Å; A344-T348 WeakPolarHBondContact O-CB 2.96Å; A344-T348 PolarHBondContact O-N 2.9Å; A344-T348 PolarHBondContact O-OG1 3.49Å; A344-F371 HydrophobicContact CB-CD1 3.77Å; A344-F371 HydrophobicContact CB-CE1 4.01Å; A344-V375 HydrophobicContact CB-CB 4.48Å; A344-V375 HydrophobicContact CB-CG2 4.44Å
345	R	98.9	Very high	98.8	Very high	20 Å²	20	36 Å²	36	8%	0.075	20%	0.198	C	C	.	.	H	α-helix	trans	-61.2	-46.9	174.6	-174.9	175.3	-66.2	101.7	6.2	111.6	E124 V300 I341 E342 L347 T348 Y349	E124-R345 IonicContact OE1-CZ 2.76Å; E124-R345 IonicContact OE1-NE 2.74Å; E124-R345 PolarHBondContact OE1-NE 3.21Å; E124-R345 IonicContact OE1-NH2 3.89Å; E124-R345 PolarHBondContact OE1-NH2 3.39Å; E124-R345 IonicContact OE2-NE 3.77Å; V300-R345 HydrophobicContact CG1-CB 3.98Å; V300-R345 HydrophobicContact CG1-CG 4.34Å; I341-R345 PolarHBondContact O-N 3.37Å; E342-R345 PolarHBondContact O-N 2.78Å; E342-R345 IonicContact OE2-CZ 3.6Å; E342-R345 IonicContact OE2-NH1 2.72Å; E342-R345 PolarHBondContact OE2-NH1 3.06Å; R345-L347 PolarHBondContact O-N 2.81Å; R345-T348 PolarHBondContact O-N 2.96Å; R345-Y349 HydrophobicContact CG-CD1 4.26Å; R345-Y349 HydrophobicContact CG-CD2 3.95Å; R345-Y349 HydrophobicContact CG-CE1 3.89Å; R345-Y349 HydrophobicContact CG-CE2 3.56Å; R345-Y349 HydrophobicContact CG-CG 4.3Å; R345-Y349 WeakPolarHBondContact O-CB 3.3Å; R345-Y349 PolarHBondContact O-N 3.45Å
346	L	98.9	Very high	98.7	Very high	60 Å²	60	37 Å²	37	31%	0.314	19%	0.193	S	C	.	.	H	α-helix	trans	-60.5	-43.6	178.3	-71.5	177.5	0	0	0	112.6	L52 E342 A343 N350	L52-L346 HydrophobicContact CB-CD2 3.83Å; L52-L346 HydrophobicContact CD1-CD2 3.94Å; L52-L346 HydrophobicContact CG-CD2 4.46Å; E342-L346 WeakPolarHBondContact O-CG 3.44Å; E342-L346 PolarHBondContact O-N 2.96Å; A343-L346 PolarHBondContact O-N 2.99Å; L346-N350 VanDerWaalsContact O-CB 3.24Å; L346-N350 WeakPolarHBondContact O-CB 3.24Å; L346-N350 PolarHBondContact O-N 3.46Å
347	L	98.9	Very high	98.6	Very high	56 Å²	56	35.5 Å²	35.5	29%	0.293	20%	0.198	S	C	.	.	H	α-helix	trans	-61	-45.2	175.4	-72.1	171.2	0	0	0	111.7	A343 A344 R345 N350 A351 A368 F371	A343-L347 WeakPolarHBondContact O-CG 3.27Å; A343-L347 PolarHBondContact O-N 2.83Å; A343-L347 VanDerWaalsContact O-N 3.08Å; A344-L347 PolarHBondContact O-N 2.86Å; R345-L347 PolarHBondContact O-N 2.81Å; L347-N350 PolarHBondContact O-N 3.28Å; L347-A351 PolarHBondContact O-N 3.16Å; L347-A368 HydrophobicContact CB-CB 4.12Å; L347-F371 HydrophobicContact CD1-CB 3.84Å; L347-F371 HydrophobicContact CD1-CD1 3.63Å; L347-F371 HydrophobicContact CD1-CE1 4.37Å; L347-F371 HydrophobicContact CD1-CG 3.84Å
348	T	98.9	Very high	98.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.6	-50.3	179.6	-57	0	0	0	0	111.3	I120 I293 A296 A297 A344 R345 N350 A351 A352	I120-T348 HydrophobicContact CG2-CG2 4.03Å; I293-T348 HydrophobicContact CG2-CG2 4.18Å; A296-T348 HydrophobicContact CB-CG2 3.93Å; A296-T348 WeakPolarHBondContact CB-OG1 3.48Å; A297-T348 HydrophobicContact CB-CG2 4.11Å; A344-T348 WeakPolarHBondContact O-CB 2.96Å; A344-T348 PolarHBondContact O-N 2.9Å; A344-T348 PolarHBondContact O-OG1 3.49Å; R345-T348 PolarHBondContact O-N 2.96Å; T348-N350 PolarHBondContact O-N 2.82Å; T348-A351 PolarHBondContact O-N 2.87Å; T348-A352 PolarHBondContact O-N 3.31Å
349	Y	98.9	Very high	98.5	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-66.1	-38.9	-178.9	-71.9	4.2	0	0	0	112.2	Q53 Y55 F117 I120 L121 E124 R345 A352 R353	Q53-Y349 HydrophobicContact CG-CE2 4.47Å; Y55-Y349 AromaticContact CE1-CE2 3.88Å; Y55-Y349 HydrophobicContact CE1-CE2 3.88Å; Y55-Y349 WeakPolarHBondContact OH-CE2 3.44Å; Y55-Y349 PolarHBondContact OH-OH 2.94Å; F117-Y349 AromaticContact CE2-CD1 4Å; F117-Y349 HydrophobicContact CE2-CD1 4Å; F117-Y349 HydrophobicContact CE2-CD2 4.3Å; F117-Y349 AromaticContact CE2-CG 3.75Å; F117-Y349 HydrophobicContact CE2-CG 3.75Å; F117-Y349 HydrophobicContact CZ-CD1 4.03Å; F117-Y349 AromaticContact CZ-CD2 3.83Å; F117-Y349 HydrophobicContact CZ-CD2 3.83Å; F117-Y349 HydrophobicContact CZ-CE1 4.39Å; F117-Y349 HydrophobicContact CZ-CE2 4.2Å; F117-Y349 AromaticContact CZ-CG 3.73Å; F117-Y349 HydrophobicContact CZ-CG 3.73Å; I120-Y349 HydrophobicContact CG2-CD1 4.34Å; I120-Y349 HydrophobicContact CG2-CE1 4.42Å; L121-Y349 HydrophobicContact CD2-CE1 4.17Å; L121-Y349 WeakPolarHBondContact CD2-OH 3.46Å; E124-Y349 VanDerWaalsContact OE2-CE1 3.3Å; E124-Y349 WeakPolarHBondContact OE2-CE1 3.26Å; E124-Y349 PolarHBondContact OE2-OH 3.08Å; R345-Y349 HydrophobicContact CG-CD1 4.26Å; R345-Y349 HydrophobicContact CG-CD2 3.95Å; R345-Y349 HydrophobicContact CG-CE1 3.89Å; R345-Y349 HydrophobicContact CG-CE2 3.56Å; R345-Y349 HydrophobicContact CG-CG 4.3Å; R345-Y349 WeakPolarHBondContact O-CB 3.3Å; R345-Y349 PolarHBondContact O-N 3.45Å; Y349-A352 PolarHBondContact O-N 3.01Å; Y349-R353 WeakPolarHBondContact O-CG 3.17Å; Y349-R353 PolarHBondContact O-N 3.17Å
350	N	98.9	Very high	98.4	Very high	64 Å²	64	45.5 Å²	45.5	34%	0.342	25%	0.254	S	S	.	.	H	α-helix	trans	-62.8	-43.7	175.5	-173.5	63	0	0	0	111.7	L52 L346 L347 T348 A352 R353 L354	L52-N350 HydrophobicContact CD1-CB 3.91Å; L346-N350 VanDerWaalsContact O-CB 3.24Å; L346-N350 WeakPolarHBondContact O-CB 3.24Å; L346-N350 PolarHBondContact O-N 3.46Å; L347-N350 PolarHBondContact O-N 3.28Å; T348-N350 PolarHBondContact O-N 2.82Å; N350-A352 VanDerWaalsContact C-N 3.31Å; N350-A352 PolarHBondContact O-N 2.92Å; N350-R353 PolarHBondContact O-N 2.93Å; N350-L354 WeakPolarHBondContact O-CB 3.42Å; N350-L354 VanDerWaalsContact O-CG 3.3Å; N350-L354 WeakPolarHBondContact O-CG 3.48Å; N350-L354 PolarHBondContact O-N 2.92Å
351	A	98.8	Very high	98.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.4	-41.7	176.2	0	0	0	0	0	111.8	I293 L347 T348 L354 K355 E364 A368	I293-A351 HydrophobicContact CD1-CB 3.97Å; I293-A351 HydrophobicContact CG1-CB 4.04Å; I293-A351 HydrophobicContact CG2-CB 4.43Å; L347-A351 PolarHBondContact O-N 3.16Å; T348-A351 PolarHBondContact O-N 2.87Å; A351-L354 PolarHBondContact O-N 3.23Å; A351-K355 PolarHBondContact O-N 3.31Å; A351-K355 VanDerWaalsContact O-N 3.1Å; A351-E364 HydrophobicContact CB-CB 4.11Å; A351-A368 HydrophobicContact CB-CB 4.47Å
352	A	98.6	Very high	98.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-47.2	176	0	0	0	0	0	112.5	F116 F117 I120 I293 T348 Y349 N350 L354 K355 E356	F116-A352 HydrophobicContact CD1-CB 3.99Å; F116-A352 HydrophobicContact CE1-CB 3.93Å; F117-A352 HydrophobicContact CD2-CB 3.69Å; F117-A352 HydrophobicContact CE2-CB 4.28Å; I120-A352 HydrophobicContact CG1-CB 3.98Å; I293-A352 HydrophobicContact CG2-CB 4.08Å; T348-A352 PolarHBondContact O-N 3.31Å; Y349-A352 PolarHBondContact O-N 3.01Å; N350-A352 VanDerWaalsContact C-N 3.31Å; N350-A352 PolarHBondContact O-N 2.92Å; A352-L354 VanDerWaalsContact C-N 3.34Å; A352-L354 PolarHBondContact O-N 3.48Å; A352-K355 WeakPolarHBondContact O-CB 3.34Å; A352-K355 PolarHBondContact O-N 3.49Å; A352-E356 PolarHBondContact O-N 2.83Å; A352-E356 VanDerWaalsContact O-N 3.07Å
353	R	98.4	Very high	98.3	Very high	68 Å²	68	45.1 Å²	45.1	26%	0.257	25%	0.252	S	S	.	.	H	α-helix	trans	-64.8	-34.9	177	-68.4	-66.3	-171	-155.3	1.6	112.8	L52 E59 F117 Y349 N350 E356 A357	L52-R353 HydrophobicContact CD2-CG 4.35Å; E59-R353 VanDerWaalsContact CD-NH2 3.28Å; E59-R353 IonicContact OE1-CZ 2.98Å; E59-R353 VanDerWaalsContact OE1-CZ 3.32Å; E59-R353 IonicContact OE1-NH1 3.13Å; E59-R353 PolarHBondContact OE1-NH1 3Å; E59-R353 IonicContact OE1-NH2 3.96Å; E59-R353 PolarHBondContact OE1-NH2 2.9Å; E59-R353 IonicContact OE2-CZ 2.74Å; E59-R353 IonicContact OE2-NH1 2.8Å; E59-R353 IonicContact OE2-NH2 3.71Å; E59-R353 PolarHBondContact OE2-NH2 3.14Å; F117-R353 HydrophobicContact CD2-CG 4.09Å; F117-R353 HydrophobicContact CE2-CG 4.13Å; Y349-R353 WeakPolarHBondContact O-CG 3.17Å; Y349-R353 PolarHBondContact O-N 3.17Å; N350-R353 PolarHBondContact O-N 2.93Å; R353-E356 IonicContact CZ-OE2 3.03Å; R353-E356 IonicContact NH1-OE2 2.95Å; R353-E356 PolarHBondContact NH1-OE2 3.19Å; R353-E356 PolarHBondContact O-N 3.41Å; R353-A357 WeakPolarHBondContact O-CB 3.35Å; R353-A357 PolarHBondContact O-N 3.13Å
354	L	98.6	Very high	98.3	Very high	15 Å²	15	45.3 Å²	45.3	8%	0.079	25%	0.247	C	C	.	.	H	α-helix	trans	-63.6	-42.8	173.9	-75.8	169.8	0	0	0	111.7	N350 A351 A352 A357 G358 R359 F361 E364	N350-L354 WeakPolarHBondContact O-CB 3.42Å; N350-L354 VanDerWaalsContact O-CG 3.3Å; N350-L354 WeakPolarHBondContact O-CG 3.48Å; N350-L354 PolarHBondContact O-N 2.92Å; A351-L354 PolarHBondContact O-N 3.23Å; A352-L354 VanDerWaalsContact C-N 3.34Å; A352-L354 PolarHBondContact O-N 3.48Å; L354-A357 PolarHBondContact O-N 3.43Å; L354-G358 PolarHBondContact O-N 3.31Å; L354-R359 HydrophobicContact CB-CB 4.47Å; L354-R359 HydrophobicContact CD2-CB 3.86Å; L354-R359 HydrophobicContact CD2-CG 4.48Å; L354-R359 PolarHBondContact O-N 3.31Å; L354-F361 HydrophobicContact CB-CB 3.78Å; L354-E364 HydrophobicContact CD1-CB 3.92Å; L354-E364 HydrophobicContact CD1-CG 3.52Å
355	K	97.4	Very high	98.3	Very high	31 Å²	31	45.3 Å²	45.3	14%	0.135	25%	0.247	C	C	.	.	H	α-helix	trans	-57.7	-51.7	173.5	-178.7	-145.9	170	175.1	0	110.8	E104 F116 E290 A351 A352 A357 G358 F361	E104-K355 IonicContact OE2-NZ 3.58Å; E104-K355 PolarHBondContact OE2-NZ 3.18Å; F116-K355 HydrophobicContact CB-CD 4.02Å; F116-K355 HydrophobicContact CD1-CB 4.38Å; F116-K355 HydrophobicContact CD1-CD 3.24Å; F116-K355 HydrophobicContact CD1-CG 4.4Å; F116-K355 HydrophobicContact CD2-CD 3.87Å; F116-K355 HydrophobicContact CE1-CB 4.42Å; F116-K355 HydrophobicContact CE1-CD 3.46Å; F116-K355 VanDerWaalsContact CE1-CD 3.46Å; F116-K355 HydrophobicContact CE2-CD 4.03Å; F116-K355 VanDerWaalsContact CE2-NZ 3.32Å; F116-K355 HydrophobicContact CG-CD 3.42Å; F116-K355 VanDerWaalsContact CG-CD 3.42Å; F116-K355 HydrophobicContact CZ-CD 3.82Å; E290-K355 HydrophobicContact CG-CD 4.31Å; E290-K355 WeakPolarHBondContact OE2-CE 3.37Å; E290-K355 IonicContact OE2-NZ 2.79Å; E290-K355 PolarHBondContact OE2-NZ 2.97Å; A351-K355 PolarHBondContact O-N 3.31Å; A351-K355 VanDerWaalsContact O-N 3.1Å; A352-K355 WeakPolarHBondContact O-CB 3.34Å; A352-K355 PolarHBondContact O-N 3.49Å; K355-A357 VanDerWaalsContact C-N 3.26Å; K355-A357 PolarHBondContact O-N 3.07Å; K355-G358 PolarHBondContact O-N 3.29Å; K355-F361 HydrophobicContact CB-CD1 3.97Å; K355-F361 HydrophobicContact CB-CD2 4.42Å; K355-F361 HydrophobicContact CB-CE1 4.15Å; K355-F361 HydrophobicContact CB-CG 4.12Å; K355-F361 HydrophobicContact CB-CZ 4.45Å; K355-F361 HydrophobicContact CG-CD1 4.29Å; K355-F361 HydrophobicContact CG-CE1 3.96Å; K355-F361 HydrophobicContact CG-CZ 4.13Å
356	E	96.3	Very high	98.3	Very high	73 Å²	73	44.3 Å²	44.3	34%	0.341	24%	0.243	S	C	.	.	H	α-helix	trans	-60.2	-37.1	-179.4	-69.6	-175	148.5	0	0	112.7	S115 F116 F117 A352 R353 G358	S115-E356 WeakPolarHBondContact CB-OE1 3.14Å; S115-E356 PolarHBondContact OG-OE1 2.74Å; F116-E356 HydrophobicContact CB-CG 4.11Å; F116-E356 PolarHBondContact N-OE1 3.4Å; F117-E356 VanDerWaalsContact CB-OE1 3.22Å; F117-E356 WeakPolarHBondContact CB-OE1 3.32Å; F117-E356 PolarHBondContact N-OE1 2.85Å; A352-E356 PolarHBondContact O-N 2.83Å; A352-E356 VanDerWaalsContact O-N 3.07Å; R353-E356 IonicContact CZ-OE2 3.03Å; R353-E356 IonicContact NH1-OE2 2.95Å; R353-E356 PolarHBondContact NH1-OE2 3.19Å; R353-E356 PolarHBondContact O-N 3.41Å; E356-G358 PolarHBondContact O-N 3.04Å
357	A	97.4	Very high	98.3	Very high	68 Å²	68	44.3 Å²	44.3	56%	0.562	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	3.1	176.4	0	0	0	0	0	113.9	R353 L354 K355 R359	R353-A357 WeakPolarHBondContact O-CB 3.35Å; R353-A357 PolarHBondContact O-N 3.13Å; L354-A357 PolarHBondContact O-N 3.43Å; K355-A357 VanDerWaalsContact C-N 3.26Å; K355-A357 PolarHBondContact O-N 3.07Å; A357-R359 HydrophobicContact CB-CG 4.01Å; A357-R359 PolarHBondContact O-N 2.89Å
358	G	96.8	Very high	98.3	Very high	72 Å²	72	41.6 Å²	41.6	74%	0.742	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	22.5	-177.1	0	0	0	0	0	113.6	L354 K355 E356	L354-G358 PolarHBondContact O-N 3.31Å; K355-G358 PolarHBondContact O-N 3.29Å; E356-G358 PolarHBondContact O-N 3.04Å
359	R	98.2	Very high	98.3	Very high	159 Å²	159	41.6 Å²	41.6	60%	0.6	23%	0.228	S	C	*	.			trans	-93.2	156.2	-178.7	-64.6	-174.8	64.8	-165.5	-1.6	110.7	L354 A357 F361	L354-R359 HydrophobicContact CB-CB 4.47Å; L354-R359 HydrophobicContact CD2-CB 3.86Å; L354-R359 HydrophobicContact CD2-CG 4.48Å; L354-R359 PolarHBondContact O-N 3.31Å; A357-R359 HydrophobicContact CB-CG 4.01Å; A357-R359 PolarHBondContact O-N 2.89Å; R359-F361 WeakPolarHBondContact O-CD1 3.43Å; R359-F361 PolarHBondContact O-N 3.34Å
360	P	97.7	Very high	98.3	Very high	111 Å²	111	45.2 Å²	45.2	72%	0.721	24%	0.242	S	C	*	.			trans	-53.9	128	169.3	-24.3	34.4	0	0	0	110.3
361	F	98.3	Very high	98.3	Very high	31 Å²	31	44.6 Å²	44.6	14%	0.136	24%	0.237	C	C	.	.			trans	-135	-1.4	-175.7	70.3	-92.1	0	0	0	113.3	N289 E290 I293 L354 K355 R359 K363 E364 A365	N289-F361 HydrophobicContact CB-CE2 4.02Å; N289-F361 HydrophobicContact CB-CZ 4.39Å; E290-F361 HydrophobicContact CG-CE2 4.15Å; E290-F361 HydrophobicContact CG-CZ 3.83Å; I293-F361 HydrophobicContact CD1-CD2 3.86Å; I293-F361 HydrophobicContact CD1-CE2 4.06Å; L354-F361 HydrophobicContact CB-CB 3.78Å; K355-F361 HydrophobicContact CB-CD1 3.97Å; K355-F361 HydrophobicContact CB-CD2 4.42Å; K355-F361 HydrophobicContact CB-CE1 4.15Å; K355-F361 HydrophobicContact CB-CG 4.12Å; K355-F361 HydrophobicContact CB-CZ 4.45Å; K355-F361 HydrophobicContact CG-CD1 4.29Å; K355-F361 HydrophobicContact CG-CE1 3.96Å; K355-F361 HydrophobicContact CG-CZ 4.13Å; R359-F361 WeakPolarHBondContact O-CD1 3.43Å; R359-F361 PolarHBondContact O-N 3.34Å; F361-K363 PolarHBondContact O-N 3.46Å; F361-E364 WeakPolarHBondContact CA-OE2 3.43Å; F361-E364 PolarHBondContact O-N 3.49Å; F361-A365 HydrophobicContact CD2-CB 4.13Å; F361-A365 WeakPolarHBondContact O-CB 3.25Å; F361-A365 PolarHBondContact O-N 2.95Å
362	I	98.4	Very high	98.3	Very high	48 Å²	48	44.7 Å²	44.7	25%	0.246	24%	0.237	C	C	.	.	H	α-helix	trans	-63.9	-43	-170.9	-61.3	172.9	0	0	0	110.9	N289 C366 T421 F425	N289-I362 HydrophobicContact CB-CG1 4.3Å; I362-C366 PolarHBondContact O-N 2.98Å; I362-C366 VanDerWaalsContact O-N 3.11Å; I362-C366 PolarHBondContact O-SG 3.23Å; I362-T421 HydrophobicContact CG2-CG2 4.12Å; I362-F425 HydrophobicContact CB-CE1 4.31Å; I362-F425 HydrophobicContact CB-CE2 3.91Å; I362-F425 HydrophobicContact CB-CZ 3.67Å; I362-F425 HydrophobicContact CD1-CZ 3.8Å; I362-F425 HydrophobicContact CG1-CZ 4.31Å; I362-F425 HydrophobicContact CG2-CD2 4.27Å; I362-F425 HydrophobicContact CG2-CE2 3.38Å; I362-F425 HydrophobicContact CG2-CZ 3.61Å
363	K	98.6	Very high	98.3	Very high	33 Å²	33	44.7 Å²	44.7	14%	0.143	24%	0.237	C	C	.	.	H	α-helix	trans	-62.1	-46.5	176.7	-178.7	-175.9	68.9	-174.9	0	110.3	F361 C366 M367 M422 F425 I426 E429	F361-K363 PolarHBondContact O-N 3.46Å; K363-C366 WeakPolarHBondContact O-CB 3.35Å; K363-C366 PolarHBondContact O-N 3.4Å; K363-M367 HydrophobicContact CD-CE 3.89Å; K363-M367 HydrophobicContact CG-CE 3.82Å; K363-M367 HydrophobicContact CG-SD 4.4Å; K363-M367 WeakPolarHBondContact O-CG 3.13Å; K363-M367 PolarHBondContact O-N 3.43Å; K363-M422 HydrophobicContact CG-CG 4.48Å; K363-F425 HydrophobicContact CB-CB 4.05Å; K363-F425 HydrophobicContact CB-CG 4.25Å; K363-F425 HydrophobicContact CD-CB 4.28Å; K363-F425 HydrophobicContact CG-CB 4.27Å; K363-I426 HydrophobicContact CD-CG1 4.27Å; K363-E429 WeakPolarHBondContact CD-OE1 3.46Å; K363-E429 WeakPolarHBondContact CE-OE1 3.29Å; K363-E429 IonicContact NZ-OE1 2.67Å; K363-E429 PolarHBondContact NZ-OE1 2.98Å; K363-E429 IonicContact NZ-OE2 2.94Å; K363-E429 PolarHBondContact NZ-OE2 3.39Å
364	E	98.8	Very high	98.3	Very high	40 Å²	40	45 Å²	45	19%	0.187	24%	0.241	C	C	.	.	H	α-helix	trans	-67.5	-37.5	-177.7	-66	76	-164.1	0	0	112.1	A351 L354 F361 M367 A368	A351-E364 HydrophobicContact CB-CB 4.11Å; L354-E364 HydrophobicContact CD1-CB 3.92Å; L354-E364 HydrophobicContact CD1-CG 3.52Å; F361-E364 WeakPolarHBondContact CA-OE2 3.43Å; F361-E364 PolarHBondContact O-N 3.49Å; E364-M367 WeakPolarHBondContact O-CB 3.33Å; E364-M367 PolarHBondContact O-N 2.94Å; E364-A368 WeakPolarHBondContact O-CB 3.47Å; E364-A368 PolarHBondContact O-N 3.12Å
365	A	98.8	Very high	98.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-40.9	171.8	0	0	0	0	0	111.8	N289 R292 I293 F361 A368 K369	N289-A365 WeakPolarHBondContact O-CB 3.43Å; R292-A365 HydrophobicContact CB-CB 4.38Å; I293-A365 HydrophobicContact CD1-CB 4.13Å; I293-A365 HydrophobicContact CG1-CB 3.61Å; F361-A365 HydrophobicContact CD2-CB 4.13Å; F361-A365 WeakPolarHBondContact O-CB 3.25Å; F361-A365 PolarHBondContact O-N 2.95Å; A365-A368 PolarHBondContact O-N 2.86Å; A365-K369 WeakPolarHBondContact O-CB 3.27Å; A365-K369 PolarHBondContact O-N 3.09Å
366	C	98.8	Very high	98.4	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-41.9	174.6	-63	0	0	0	0	111.5	R292 I362 K363 Y370 Q418 T421 M422	R292-C366 PolarHBondContact NH1-SG 3.07Å; R292-C366 VanDerWaalsContact NH1-SG 3.4Å; I362-C366 PolarHBondContact O-N 2.98Å; I362-C366 VanDerWaalsContact O-N 3.11Å; I362-C366 PolarHBondContact O-SG 3.23Å; K363-C366 WeakPolarHBondContact O-CB 3.35Å; K363-C366 PolarHBondContact O-N 3.4Å; C366-Y370 WeakPolarHBondContact O-CB 3.33Å; C366-Y370 PolarHBondContact O-N 3.22Å; C366-Q418 HydrophobicContact CB-CB 4.32Å; C366-Q418 PolarHBondContact SG-OE1 3.41Å; C366-Q418 VanDerWaalsContact SG-OE1 3.38Å; C366-T421 VanDerWaalsContact SG-CG2 3.56Å; C366-M422 HydrophobicContact CB-CG 3.45Å; C366-M422 VanDerWaalsContact CB-CG 3.45Å; C366-M422 HydrophobicContact CB-SD 4.03Å
367	M	98.9	Very high	98.5	Very high	59 Å²	59	40.9 Å²	40.9	29%	0.291	22%	0.224	S	C	.	.	H	α-helix	trans	-59.4	-48.9	174.8	-71.9	175.2	172.6	0	0	111.1	K363 E364 F371 M422	K363-M367 HydrophobicContact CD-CE 3.89Å; K363-M367 HydrophobicContact CG-CE 3.82Å; K363-M367 HydrophobicContact CG-SD 4.4Å; K363-M367 WeakPolarHBondContact O-CG 3.13Å; K363-M367 PolarHBondContact O-N 3.43Å; E364-M367 WeakPolarHBondContact O-CB 3.33Å; E364-M367 PolarHBondContact O-N 2.94Å; M367-F371 WeakPolarHBondContact O-CB 3.22Å; M367-F371 PolarHBondContact O-N 3.5Å; M367-M422 HydrophobicContact CB-SD 4.03Å; M367-M422 HydrophobicContact CG-CG 4.38Å; M367-M422 HydrophobicContact CG-SD 3.28Å; M367-M422 WeakPolarHBondContact CG-SD 3.37Å; M367-M422 PolarHBondContact N-SD 2.67Å
368	A	98.9	Very high	98.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.2	-51.7	179.7	0	0	0	0	0	111.6	A296 L347 A351 E364 A365 F371 S372	A296-A368 HydrophobicContact CB-CB 3.88Å; L347-A368 HydrophobicContact CB-CB 4.12Å; A351-A368 HydrophobicContact CB-CB 4.47Å; E364-A368 WeakPolarHBondContact O-CB 3.47Å; E364-A368 PolarHBondContact O-N 3.12Å; A365-A368 PolarHBondContact O-N 2.86Å; A368-F371 PolarHBondContact O-N 3.14Å; A368-S372 WeakPolarHBondContact O-CB 3.44Å; A368-S372 PolarHBondContact O-N 2.81Å; A368-S372 PolarHBondContact O-OG 2.91Å
369	K	98.9	Very high	98.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63	-48.4	-178.5	-165.9	-81.9	-167.6	179.7	0	111.9	R292 I295 A296 A365 S372 S373 G408 Y411 G413 Q418	R292-K369 HydrophobicContact CB-CB 4.03Å; R292-K369 HydrophobicContact CB-CG 4.14Å; R292-K369 HydrophobicContact CG-CB 4.33Å; R292-K369 HydrophobicContact CG-CG 4.15Å; R292-K369 WeakPolarHBondContact O-CB 3.33Å; I295-K369 HydrophobicContact CB-CG 4.2Å; I295-K369 HydrophobicContact CG2-CD 4.42Å; I295-K369 HydrophobicContact CG2-CG 4.01Å; A296-K369 HydrophobicContact CB-CB 4.47Å; A365-K369 WeakPolarHBondContact O-CB 3.27Å; A365-K369 PolarHBondContact O-N 3.09Å; K369-S372 PolarHBondContact O-OG 2.91Å; K369-S373 WeakPolarHBondContact O-CB 3.46Å; K369-S373 PolarHBondContact O-N 3.04Å; K369-S373 PolarHBondContact O-OG 2.8Å; K369-S373 VanDerWaalsContact O-OG 3.08Å; K369-G408 VanDerWaalsContact CE-O 3.29Å; K369-G408 WeakPolarHBondContact CE-O 3.38Å; K369-G408 PolarHBondContact NZ-O 3.48Å; K369-Y411 VanDerWaalsContact CE-O 3.28Å; K369-Y411 WeakPolarHBondContact CE-O 3.26Å; K369-Y411 PolarHBondContact NZ-O 3.17Å; K369-G413 PolarHBondContact NZ-O 3.05Å; K369-Q418 HydrophobicContact CD-CG 4Å
370	Y	98.9	Very high	98.7	Very high	77 Å²	77	29.3 Å²	29.3	30%	0.302	15%	0.148	S	C	.	.	H	α-helix	trans	-55.7	-59	176.2	161.3	-116.1	0	0	0	110.8	C366 S373 E374 T415 L419 M422	C366-Y370 WeakPolarHBondContact O-CB 3.33Å; C366-Y370 PolarHBondContact O-N 3.22Å; Y370-S373 PolarHBondContact O-N 2.71Å; Y370-S373 PolarHBondContact O-OG 2.8Å; Y370-E374 HydrophobicContact CD2-CG 4.08Å; Y370-E374 HydrophobicContact CE2-CG 3.68Å; Y370-E374 PolarHBondContact O-N 3.37Å; Y370-T415 HydrophobicContact CD2-CG2 3.56Å; Y370-T415 HydrophobicContact CE2-CG2 3.56Å; Y370-L419 HydrophobicContact CE1-CD2 4.32Å; Y370-L419 HydrophobicContact CE2-CD2 4.36Å; Y370-M422 HydrophobicContact CD1-CE 4.16Å; Y370-M422 HydrophobicContact CG-CE 4.34Å
371	F	98.9	Very high	98.8	Very high	52 Å²	52	25.9 Å²	25.9	23%	0.228	13%	0.127	C	C	.	.	H	α-helix	trans	-66.2	-46.3	-170.8	-173.3	-102	0	0	0	111.9	A343 A344 L347 M367 A368 S373 E374 V375	A343-F371 HydrophobicContact CB-CE1 3.75Å; A343-F371 HydrophobicContact CB-CZ 4.15Å; A344-F371 HydrophobicContact CB-CD1 3.77Å; A344-F371 HydrophobicContact CB-CE1 4.01Å; L347-F371 HydrophobicContact CD1-CB 3.84Å; L347-F371 HydrophobicContact CD1-CD1 3.63Å; L347-F371 HydrophobicContact CD1-CE1 4.37Å; L347-F371 HydrophobicContact CD1-CG 3.84Å; M367-F371 WeakPolarHBondContact O-CB 3.22Å; M367-F371 PolarHBondContact O-N 3.5Å; A368-F371 PolarHBondContact O-N 3.14Å; F371-S373 VanDerWaalsContact C-N 3.29Å; F371-S373 PolarHBondContact O-N 2.86Å; F371-E374 PolarHBondContact O-N 3.33Å; F371-V375 HydrophobicContact CD1-CG2 3.92Å; F371-V375 HydrophobicContact CE1-CG2 3.62Å; F371-V375 HydrophobicContact CE2-CG2 4.3Å; F371-V375 HydrophobicContact CG-CG2 4.4Å; F371-V375 HydrophobicContact CZ-CG2 3.84Å; F371-V375 WeakPolarHBondContact O-CB 3.34Å; F371-V375 VanDerWaalsContact O-CG2 3.27Å; F371-V375 WeakPolarHBondContact O-CG2 3.37Å; F371-V375 PolarHBondContact O-N 3.16Å
372	S	98.9	Very high	98.8	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	13%	0.132	C	C	.	.	H	α-helix	trans	-58.9	-38.3	177.2	59.7	0	0	0	0	112.8	A296 A368 K369 V375 A376	A296-S372 VanDerWaalsContact CA-OG 3.28Å; A296-S372 WeakPolarHBondContact CA-OG 3.38Å; A296-S372 WeakPolarHBondContact CB-OG 3.37Å; A368-S372 WeakPolarHBondContact O-CB 3.44Å; A368-S372 PolarHBondContact O-N 2.81Å; A368-S372 PolarHBondContact O-OG 2.91Å; K369-S372 PolarHBondContact O-OG 2.91Å; S372-V375 PolarHBondContact O-N 3.06Å; S372-A376 VanDerWaalsContact O-CB 3.29Å; S372-A376 WeakPolarHBondContact O-CB 3.35Å; S372-A376 PolarHBondContact O-N 3.44Å
373	S	98.8	Very high	98.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-68.8	-36.2	178.6	69.8	0	0	0	0	113.9	K369 Y370 F371 T377 G408	K369-S373 WeakPolarHBondContact O-CB 3.46Å; K369-S373 PolarHBondContact O-N 3.04Å; K369-S373 PolarHBondContact O-OG 2.8Å; K369-S373 VanDerWaalsContact O-OG 3.08Å; Y370-S373 PolarHBondContact O-N 2.71Å; Y370-S373 PolarHBondContact O-OG 2.8Å; F371-S373 VanDerWaalsContact C-N 3.29Å; F371-S373 PolarHBondContact O-N 2.86Å; S373-T377 PolarHBondContact O-N 2.92Å; S373-T377 VanDerWaalsContact O-N 3.12Å; S373-T377 PolarHBondContact O-OG1 2.86Å; S373-T377 VanDerWaalsContact O-OG1 3.05Å; S373-G408 VanDerWaalsContact CB-C 3.46Å; S373-G408 WeakPolarHBondContact CB-O 3.39Å
374	E	98.8	Very high	98.9	Very high	75 Å²	75	24.5 Å²	24.5	35%	0.35	12%	0.119	S	C	.	.	H	α-helix	trans	-69.5	-43.1	172.8	-66.4	-59.3	140.9	0	0	110.8	Y370 F371 A376 T377 L378 T409 T415	Y370-E374 HydrophobicContact CD2-CG 4.08Å; Y370-E374 HydrophobicContact CE2-CG 3.68Å; Y370-E374 PolarHBondContact O-N 3.37Å; F371-E374 PolarHBondContact O-N 3.33Å; E374-A376 VanDerWaalsContact C-N 3.32Å; E374-A376 PolarHBondContact O-N 3.42Å; E374-T377 PolarHBondContact O-N 2.75Å; E374-L378 PolarHBondContact O-N 3.49Å; E374-T409 WeakPolarHBondContact OE1-CG2 3.31Å; E374-T415 PolarHBondContact OE1-OG1 3.09Å
375	V	98.9	Very high	98.9	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.024	13%	0.133	C	C	.	.	H	α-helix	trans	-61.5	-40.5	175.5	170.9	0	0	0	0	111.4	Q340 I341 A344 F371 S372 L378 T379	Q340-V375 HydrophobicContact CB-CB 4.49Å; Q340-V375 HydrophobicContact CB-CG1 3.85Å; Q340-V375 HydrophobicContact CB-CG2 3.83Å; I341-V375 HydrophobicContact CG1-CG1 3.96Å; A344-V375 HydrophobicContact CB-CB 4.48Å; A344-V375 HydrophobicContact CB-CG2 4.44Å; F371-V375 HydrophobicContact CD1-CG2 3.92Å; F371-V375 HydrophobicContact CE1-CG2 3.62Å; F371-V375 HydrophobicContact CE2-CG2 4.3Å; F371-V375 HydrophobicContact CG-CG2 4.4Å; F371-V375 HydrophobicContact CZ-CG2 3.84Å; F371-V375 WeakPolarHBondContact O-CB 3.34Å; F371-V375 VanDerWaalsContact O-CG2 3.27Å; F371-V375 WeakPolarHBondContact O-CG2 3.37Å; F371-V375 PolarHBondContact O-N 3.16Å; S372-V375 PolarHBondContact O-N 3.06Å; V375-L378 PolarHBondContact O-N 2.84Å; V375-T379 WeakPolarHBondContact O-CB 3.3Å; V375-T379 PolarHBondContact O-N 2.76Å; V375-T379 PolarHBondContact O-OG1 2.89Å
376	A	98.9	Very high	98.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.1	-42	175.6	0	0	0	0	0	111.8	M299 L302 A303 S372 E374 T380 C405	M299-A376 HydrophobicContact CB-CB 4.16Å; M299-A376 HydrophobicContact SD-CB 3.96Å; L302-A376 HydrophobicContact CD1-CB 4.17Å; L302-A376 HydrophobicContact CD2-CB 4.46Å; L302-A376 HydrophobicContact CG-CB 4.32Å; A303-A376 HydrophobicContact CB-CB 4.3Å; S372-A376 VanDerWaalsContact O-CB 3.29Å; S372-A376 WeakPolarHBondContact O-CB 3.35Å; S372-A376 PolarHBondContact O-N 3.44Å; E374-A376 VanDerWaalsContact C-N 3.32Å; E374-A376 PolarHBondContact O-N 3.42Å; A376-T380 WeakPolarHBondContact O-CB 3.28Å; A376-T380 VanDerWaalsContact O-CG2 3.25Å; A376-T380 WeakPolarHBondContact O-CG2 3.46Å; A376-T380 PolarHBondContact O-N 2.79Å; A376-T380 PolarHBondContact O-OG1 3.43Å; A376-C405 HydrophobicContact CB-CB 4.03Å
377	T	98.7	Very high	98.9	Very high	28 Å²	28	28.1 Å²	28.1	17%	0.172	14%	0.136	C	C	.	.	H	α-helix	trans	-62	-48.2	174.9	-59	0	0	0	0	111.3	S373 E374 T380 S381 K406	S373-T377 PolarHBondContact O-N 2.92Å; S373-T377 VanDerWaalsContact O-N 3.12Å; S373-T377 PolarHBondContact O-OG1 2.86Å; S373-T377 VanDerWaalsContact O-OG1 3.05Å; E374-T377 PolarHBondContact O-N 2.75Å; T377-T380 PolarHBondContact O-OG1 2.89Å; T377-S381 VanDerWaalsContact O-CB 3.31Å; T377-S381 WeakPolarHBondContact O-CB 3.4Å; T377-S381 PolarHBondContact O-N 2.88Å; T377-S381 VanDerWaalsContact O-N 3.16Å; T377-K406 PolarHBondContact OG1-NZ 3.2Å; T377-K406 VanDerWaalsContact OG1-NZ 3.14Å
378	L	98.8	Very high	98.8	Very high	57 Å²	57	27 Å²	27	30%	0.298	14%	0.14	S	C	.	.	H	α-helix	trans	-60.1	-51.2	177.2	172.9	64.4	0	0	0	111.6	V337 Q340 E374 V375 T380 S381 K382	V337-L378 HydrophobicContact CG2-CG 4.47Å; Q340-L378 HydrophobicContact CG-CD2 4.45Å; E374-L378 PolarHBondContact O-N 3.49Å; V375-L378 PolarHBondContact O-N 2.84Å; L378-T380 PolarHBondContact O-N 2.94Å; L378-S381 PolarHBondContact O-N 2.93Å; L378-K382 HydrophobicContact CD1-CG 4Å; L378-K382 WeakPolarHBondContact O-CB 3.5Å; L378-K382 WeakPolarHBondContact O-CG 3.5Å; L378-K382 PolarHBondContact O-N 2.93Å
379	T	98.9	Very high	98.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58.6	-52.2	-175	-62.2	0	0	0	0	110.9	A303 F307 V337 I341 V375 K382 C383	A303-T379 HydrophobicContact CB-CG2 4.1Å; A303-T379 WeakPolarHBondContact O-CG2 3.31Å; F307-T379 HydrophobicContact CB-CG2 4.28Å; V337-T379 HydrophobicContact CG1-CG2 3.77Å; V337-T379 WeakPolarHBondContact CG1-OG1 3.35Å; I341-T379 HydrophobicContact CD1-CG2 3.95Å; V375-T379 WeakPolarHBondContact O-CB 3.3Å; V375-T379 PolarHBondContact O-N 2.76Å; V375-T379 PolarHBondContact O-OG1 2.89Å; T379-K382 PolarHBondContact O-N 3.05Å; T379-C383 WeakPolarHBondContact O-CB 3.4Å; T379-C383 PolarHBondContact O-N 3.11Å; T379-C383 PolarHBondContact O-SG 3.2Å
380	T	98.9	Very high	98.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-68.5	-38.9	-175.5	56	0	0	0	0	111.8	L302 C306 A376 T377 L378 K382 C383 I384 C405	L302-T380 HydrophobicContact CD1-CG2 3.74Å; C306-T380 HydrophobicContact CB-CG2 4Å; A376-T380 WeakPolarHBondContact O-CB 3.28Å; A376-T380 VanDerWaalsContact O-CG2 3.25Å; A376-T380 WeakPolarHBondContact O-CG2 3.46Å; A376-T380 PolarHBondContact O-N 2.79Å; A376-T380 PolarHBondContact O-OG1 3.43Å; T377-T380 PolarHBondContact O-OG1 2.89Å; L378-T380 PolarHBondContact O-N 2.94Å; T380-K382 PolarHBondContact O-N 2.93Å; T380-C383 PolarHBondContact O-N 3.24Å; T380-I384 PolarHBondContact O-N 3.42Å; T380-I384 VanDerWaalsContact O-N 3.11Å; T380-C405 HydrophobicContact CG2-CB 4.17Å; T380-C405 PolarHBondContact OG1-SG 3.45Å
381	S	98.9	Very high	98.8	Very high	39 Å²	39	28.6 Å²	28.6	27%	0.273	17%	0.17	S	C	.	.	H	α-helix	trans	-59.2	-47.8	173	-170.3	0	0	0	0	111.3	T377 L378 C383 I384 E385	T377-S381 VanDerWaalsContact O-CB 3.31Å; T377-S381 WeakPolarHBondContact O-CB 3.4Å; T377-S381 PolarHBondContact O-N 2.88Å; T377-S381 VanDerWaalsContact O-N 3.16Å; L378-S381 PolarHBondContact O-N 2.93Å; S381-C383 VanDerWaalsContact C-N 3.34Å; S381-C383 PolarHBondContact O-N 3.2Å; S381-I384 PolarHBondContact O-N 2.86Å; S381-E385 PolarHBondContact O-N 2.88Å
382	K	98.9	Very high	98.8	Very high	56 Å²	56	34.1 Å²	34.1	24%	0.243	20%	0.195	C	C	.	.	H	α-helix	trans	-66	-36.5	178	-70.9	-48	-176.3	-163.7	0	112.6	V337 L378 T379 T380 I384 E385 W386	V337-K382 HydrophobicContact CG2-CB 4.48Å; V337-K382 HydrophobicContact CG2-CG 4.44Å; L378-K382 HydrophobicContact CD1-CG 4Å; L378-K382 WeakPolarHBondContact O-CB 3.5Å; L378-K382 WeakPolarHBondContact O-CG 3.5Å; L378-K382 PolarHBondContact O-N 2.93Å; T379-K382 PolarHBondContact O-N 3.05Å; T380-K382 PolarHBondContact O-N 2.93Å; K382-I384 VanDerWaalsContact C-N 3.34Å; K382-I384 PolarHBondContact O-N 3.48Å; K382-E385 VanDerWaalsContact CD-OE2 3.27Å; K382-E385 WeakPolarHBondContact CD-OE2 3.28Å; K382-E385 IonicContact NZ-OE1 3.69Å; K382-E385 PolarHBondContact NZ-OE1 3.07Å; K382-E385 IonicContact NZ-OE2 3.78Å; K382-E385 PolarHBondContact NZ-OE2 3.18Å; K382-E385 WeakPolarHBondContact O-CB 3.37Å; K382-E385 PolarHBondContact O-N 2.81Å; K382-W386 HydrophobicContact CB-CD2 4.33Å; K382-W386 HydrophobicContact CB-CH2 4.17Å; K382-W386 HydrophobicContact CB-CZ2 3.57Å; K382-W386 HydrophobicContact CG-CZ2 4.29Å; K382-W386 WeakPolarHBondContact O-CB 3.42Å; K382-W386 VanDerWaalsContact O-CD2 3.3Å; K382-W386 PolarHBondContact O-N 3.38Å
383	C	98.9	Very high	98.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.2	-40.2	176.5	-72.7	0	0	0	0	112.5	C306 T310 T379 T380 S381 W386 M387 I398	C306-C383 WeakPolarHBondContact SG-CB 3.39Å; T310-C383 HydrophobicContact CG2-CB 4.03Å; T310-C383 VanDerWaalsContact OG1-CB 3.28Å; T310-C383 WeakPolarHBondContact OG1-CB 3.26Å; T379-C383 WeakPolarHBondContact O-CB 3.4Å; T379-C383 PolarHBondContact O-N 3.11Å; T379-C383 PolarHBondContact O-SG 3.2Å; T380-C383 PolarHBondContact O-N 3.24Å; S381-C383 VanDerWaalsContact C-N 3.34Å; S381-C383 PolarHBondContact O-N 3.2Å; C383-W386 PolarHBondContact O-N 3.4Å; C383-M387 WeakPolarHBondContact O-CG 3.32Å; C383-M387 PolarHBondContact O-N 3.13Å; C383-I398 HydrophobicContact CB-CG2 3.75Å
384	I	98.8	Very high	98.7	Very high	26 Å²	26	43.2 Å²	43.2	13%	0.133	24%	0.239	C	C	.	.	H	α-helix	trans	-59.7	-50.4	171.7	-66.4	178.3	0	0	0	110.3	T380 S381 K382 W386 M387 G388 I398 Y402	T380-I384 PolarHBondContact O-N 3.42Å; T380-I384 VanDerWaalsContact O-N 3.11Å; S381-I384 PolarHBondContact O-N 2.86Å; K382-I384 VanDerWaalsContact C-N 3.34Å; K382-I384 PolarHBondContact O-N 3.48Å; I384-W386 VanDerWaalsContact C-N 3.31Å; I384-W386 PolarHBondContact O-N 3.49Å; I384-M387 PolarHBondContact O-N 3.06Å; I384-G388 PolarHBondContact O-N 3.46Å; I384-I398 HydrophobicContact CB-CG2 4.48Å; I384-I398 HydrophobicContact CG1-CG2 3.63Å; I384-Y402 VanDerWaalsContact CD1-CB 3.5Å; I384-Y402 HydrophobicContact CD1-CD1 3.98Å; I384-Y402 HydrophobicContact CD1-CD2 4.21Å; I384-Y402 HydrophobicContact CD1-CG 3.63Å
385	E	98.8	Very high	98.6	Very high	100 Å²	100	46.4 Å²	46.4	47%	0.467	26%	0.258	S	S	.	.	H	α-helix	trans	-57	-43.6	179.2	-68	173	-152.6	0	0	112	S381 K382 M387 G388	S381-E385 PolarHBondContact O-N 2.88Å; K382-E385 VanDerWaalsContact CD-OE2 3.27Å; K382-E385 WeakPolarHBondContact CD-OE2 3.28Å; K382-E385 IonicContact NZ-OE1 3.69Å; K382-E385 PolarHBondContact NZ-OE1 3.07Å; K382-E385 IonicContact NZ-OE2 3.78Å; K382-E385 PolarHBondContact NZ-OE2 3.18Å; K382-E385 WeakPolarHBondContact O-CB 3.37Å; K382-E385 PolarHBondContact O-N 2.81Å; E385-M387 VanDerWaalsContact C-N 3.34Å; E385-M387 PolarHBondContact O-N 3.49Å; E385-G388 PolarHBondContact O-N 3.32Å; E385-G388 VanDerWaalsContact O-N 3.16Å
386	W	98.8	Very high	98.5	Very high	9 Å²	9	50.7 Å²	50.7	3%	0.034	27%	0.274	C	S	.	.	H	α-helix	trans	-69.2	-31.3	-178.7	-59.7	-13.4	0	0	0	113.2	F307 T310 T314 M330 Q333 I334 V337 K382 C383 I384 G388	F307-W386 HydrophobicContact CD2-CH2 4.44Å; F307-W386 HydrophobicContact CD2-CZ3 4.05Å; F307-W386 HydrophobicContact CE2-CH2 4.25Å; F307-W386 HydrophobicContact CE2-CZ3 4.07Å; T310-W386 HydrophobicContact CG2-CB 4.01Å; T310-W386 HydrophobicContact CG2-CE3 3.82Å; T314-W386 HydrophobicContact CG2-CB 4.18Å; M330-W386 HydrophobicContact CE-CB 3.68Å; M330-W386 HydrophobicContact CE-CD2 4.1Å; M330-W386 HydrophobicContact CE-CG 3.36Å; Q333-W386 HydrophobicContact CB-CZ2 3.75Å; I334-W386 HydrophobicContact CB-CH2 4.39Å; I334-W386 HydrophobicContact CG1-CD2 4.32Å; I334-W386 HydrophobicContact CG1-CE3 4.1Å; I334-W386 HydrophobicContact CG1-CH2 3.89Å; I334-W386 HydrophobicContact CG1-CZ2 4.11Å; I334-W386 HydrophobicContact CG1-CZ3 3.88Å; V337-W386 HydrophobicContact CB-CH2 3.82Å; V337-W386 HydrophobicContact CB-CZ2 4.45Å; V337-W386 HydrophobicContact CG1-CH2 4.08Å; V337-W386 HydrophobicContact CG2-CH2 3.73Å; V337-W386 HydrophobicContact CG2-CZ2 3.93Å; K382-W386 HydrophobicContact CB-CD2 4.33Å; K382-W386 HydrophobicContact CB-CH2 4.17Å; K382-W386 HydrophobicContact CB-CZ2 3.57Å; K382-W386 HydrophobicContact CG-CZ2 4.29Å; K382-W386 WeakPolarHBondContact O-CB 3.42Å; K382-W386 VanDerWaalsContact O-CD2 3.3Å; K382-W386 PolarHBondContact O-N 3.38Å; C383-W386 PolarHBondContact O-N 3.4Å; I384-W386 VanDerWaalsContact C-N 3.31Å; I384-W386 PolarHBondContact O-N 3.49Å; W386-G388 VanDerWaalsContact C-N 3.34Å
387	M	98.8	Very high	98.4	Very high	8 Å²	8	53.1 Å²	53.1	4%	0.039	29%	0.29	C	S	.	.	H	α-helix	trans	-77.4	-22.7	172.9	-69.6	-155.4	60.8	0	0	112.6	T310 Y313 C383 I384 E385 V390 Y396 I398	T310-M387 HydrophobicContact CG2-CG 3.72Å; T310-M387 HydrophobicContact CG2-SD 4.41Å; Y313-M387 HydrophobicContact CD1-CB 4.34Å; Y313-M387 HydrophobicContact CD1-CE 4.04Å; Y313-M387 HydrophobicContact CD1-CG 3.83Å; Y313-M387 HydrophobicContact CD2-CE 3.72Å; Y313-M387 HydrophobicContact CE1-CB 4.19Å; Y313-M387 HydrophobicContact CE1-CE 4.36Å; Y313-M387 HydrophobicContact CE1-CG 4.2Å; Y313-M387 HydrophobicContact CE2-CE 4.06Å; Y313-M387 HydrophobicContact CG-CE 3.7Å; Y313-M387 HydrophobicContact CG-CG 4.34Å; Y313-M387 HydrophobicContact CG-SD 4.46Å; Y313-M387 PolarHBondContact OH-O 2.97Å; C383-M387 WeakPolarHBondContact O-CG 3.32Å; C383-M387 PolarHBondContact O-N 3.13Å; I384-M387 PolarHBondContact O-N 3.06Å; E385-M387 VanDerWaalsContact C-N 3.34Å; E385-M387 PolarHBondContact O-N 3.49Å; M387-V390 HydrophobicContact CB-CG2 4.24Å; M387-V390 HydrophobicContact CE-CG2 3.89Å; M387-V390 VanDerWaalsContact O-CG2 3.29Å; M387-V390 WeakPolarHBondContact O-CG2 3.2Å; M387-Y396 HydrophobicContact CE-CD1 3.42Å; M387-Y396 VanDerWaalsContact CE-CD1 3.42Å; M387-Y396 HydrophobicContact CE-CE1 3.73Å; M387-Y396 HydrophobicContact CE-CG 3.9Å; M387-I398 HydrophobicContact CG-CG1 4.46Å; M387-I398 HydrophobicContact SD-CB 4.34Å; M387-I398 HydrophobicContact SD-CD1 4.17Å; M387-I398 HydrophobicContact SD-CG1 3.28Å; M387-I398 WeakPolarHBondContact SD-CG1 3.37Å
388	G	98.4	Very high	98.3	Very high	36 Å²	36	51.8 Å²	51.8	37%	0.371	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	69	-143.8	-177.8	0	0	0	0	0	111.3	I384 E385 W386 V390 G391	I384-G388 PolarHBondContact O-N 3.46Å; E385-G388 PolarHBondContact O-N 3.32Å; E385-G388 VanDerWaalsContact O-N 3.16Å; W386-G388 VanDerWaalsContact C-N 3.34Å; G388-V390 PolarHBondContact O-N 3.11Å; G388-V390 VanDerWaalsContact O-N 3.11Å; G388-G391 PolarHBondContact O-N 3.12Å
389	G	98.4	Very high	98.3	Very high	64 Å²	64	50.3 Å²	50.3	66%	0.66	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-54.6	-34.7	-174.6	0	0	0	0	0	114.7	G391 F392	G389-G391 VanDerWaalsContact C-N 3.32Å; G389-G391 PolarHBondContact O-N 2.92Å; G389-F392 PolarHBondContact O-N 3.21Å
390	V	98.4	Very high	98.3	Very high	46 Å²	46	50.9 Å²	50.9	28%	0.279	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-72.1	-24.4	178.4	-60.6	0	0	0	0	113.3	Y313 M387 G388 F392 T393 Y396	Y313-V390 HydrophobicContact CE1-CG2 4.47Å; Y313-V390 HydrophobicContact CE2-CG2 3.95Å; Y313-V390 WeakPolarHBondContact OH-CG2 3.41Å; M387-V390 HydrophobicContact CB-CG2 4.24Å; M387-V390 HydrophobicContact CE-CG2 3.89Å; M387-V390 VanDerWaalsContact O-CG2 3.29Å; M387-V390 WeakPolarHBondContact O-CG2 3.2Å; G388-V390 PolarHBondContact O-N 3.11Å; G388-V390 VanDerWaalsContact O-N 3.11Å; V390-F392 PolarHBondContact O-N 3.14Å; V390-T393 PolarHBondContact O-N 2.84Å; V390-T393 PolarHBondContact O-OG1 3Å; V390-Y396 HydrophobicContact CB-CD2 3.86Å; V390-Y396 HydrophobicContact CB-CE2 3.62Å; V390-Y396 HydrophobicContact CG1-CE2 4.18Å; V390-Y396 HydrophobicContact CG2-CD2 4.46Å; V390-Y396 HydrophobicContact CG2-CE2 4.2Å; V390-Y396 VanDerWaalsContact O-CD2 3.31Å; V390-Y396 WeakPolarHBondContact O-CD2 3.48Å
391	G	98.4	Very high	98.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-71.5	-13.3	175.1	0	0	0	0	0	113.5	G388 G389	G388-G391 PolarHBondContact O-N 3.12Å; G389-G391 VanDerWaalsContact C-N 3.32Å; G389-G391 PolarHBondContact O-N 2.92Å
392	F	98.6	Very high	98.3	Very high	168 Å²	168	54.2 Å²	54.2	74%	0.737	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-97.6	-6	178.4	-159.7	-107.7	0	0	0	112.9	G389 V390	G389-F392 PolarHBondContact O-N 3.21Å; V390-F392 PolarHBondContact O-N 3.14Å
393	T	98.2	Very high	98.3	Very high	52 Å²	52	52.8 Å²	52.8	32%	0.319	28%	0.276	S	S	.	.	S	Bend	trans	-95.3	153.8	174.9	82	0	0	0	0	110.6	V390 D395 Y396	V390-T393 PolarHBondContact O-N 2.84Å; V390-T393 PolarHBondContact O-OG1 3Å; T393-D395 WeakPolarHBondContact CB-OD2 3.06Å; T393-D395 PolarHBondContact O-N 3.45Å; T393-D395 PolarHBondContact OG1-OD2 3.23Å; T393-Y396 PolarHBondContact O-N 2.88Å
394	K	98.1	Very high	98.3	Very high	140 Å²	140	52.8 Å²	52.8	61%	0.609	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-1.3	-179.4	-62.8	-170.6	163.4	-74.1	0	113.6	Y396 E399	K394-Y396 PolarHBondContact O-N 3.24Å; K394-E399 HydrophobicContact CG-CG 4.24Å; K394-E399 VanDerWaalsContact NZ-CD 3.27Å; K394-E399 IonicContact NZ-OE1 2.99Å; K394-E399 PolarHBondContact NZ-OE1 2.58Å; K394-E399 IonicContact NZ-OE2 2.8Å; K394-E399 PolarHBondContact NZ-OE2 2.95Å; K394-E399 VanDerWaalsContact NZ-OE2 3.14Å
395	D	96.1	Very high	98.3	Very high	141 Å²	141	51.6 Å²	51.6	75%	0.754	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-18.4	173	-48.5	-72.6	0	0	0	111.9	T393	T393-D395 WeakPolarHBondContact CB-OD2 3.06Å; T393-D395 PolarHBondContact O-N 3.45Å; T393-D395 PolarHBondContact OG1-OD2 3.23Å
396	Y	97.1	Very high	98.3	Very high	94 Å²	94	50.1 Å²	50.1	37%	0.369	26%	0.262	S	S	.	.	S	Bend	trans	-113.8	144.5	174.9	-71	-91.1	0	0	0	110.4	M387 V390 T393 K394 I398	M387-Y396 HydrophobicContact CE-CD1 3.42Å; M387-Y396 VanDerWaalsContact CE-CD1 3.42Å; M387-Y396 HydrophobicContact CE-CE1 3.73Å; M387-Y396 HydrophobicContact CE-CG 3.9Å; V390-Y396 HydrophobicContact CB-CD2 3.86Å; V390-Y396 HydrophobicContact CB-CE2 3.62Å; V390-Y396 HydrophobicContact CG1-CE2 4.18Å; V390-Y396 HydrophobicContact CG2-CD2 4.46Å; V390-Y396 HydrophobicContact CG2-CE2 4.2Å; V390-Y396 VanDerWaalsContact O-CD2 3.31Å; V390-Y396 WeakPolarHBondContact O-CD2 3.48Å; T393-Y396 PolarHBondContact O-N 2.88Å; K394-Y396 PolarHBondContact O-N 3.24Å; Y396-I398 PolarHBondContact O-N 3.42Å; Y396-I398 VanDerWaalsContact O-N 3.16Å
397	P	97	Very high	98.3	Very high	51 Å²	51	52 Å²	52	33%	0.331	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-8.4	-173.4	30.5	-36.4	0	0	0	113.9	E399 K400 Y401	P397-E399 PolarHBondContact O-N 3.24Å; P397-K400 WeakPolarHBondContact O-CB 3.46Å; P397-K400 PolarHBondContact O-N 3.41Å; P397-Y401 HydrophobicContact CB-CD2 4.46Å; P397-Y401 HydrophobicContact CB-CE2 4.1Å; P397-Y401 VanDerWaalsContact O-CD2 3.27Å; P397-Y401 WeakPolarHBondContact O-CD2 3.33Å; P397-Y401 PolarHBondContact O-N 3.36Å
398	I	98.2	Very high	98.3	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-64.8	-40	-168.9	-56.8	-44.7	0	0	0	112.5	H309 T310 C383 I384 M387 Y396 K400 Y401 Y402	H309-I398 HydrophobicContact CB-CD1 3.62Å; T310-I398 WeakPolarHBondContact OG1-CD1 3.24Å; C383-I398 HydrophobicContact CB-CG2 3.75Å; I384-I398 HydrophobicContact CB-CG2 4.48Å; I384-I398 HydrophobicContact CG1-CG2 3.63Å; M387-I398 HydrophobicContact CG-CG1 4.46Å; M387-I398 HydrophobicContact SD-CB 4.34Å; M387-I398 HydrophobicContact SD-CD1 4.17Å; M387-I398 HydrophobicContact SD-CG1 3.28Å; M387-I398 WeakPolarHBondContact SD-CG1 3.37Å; Y396-I398 PolarHBondContact O-N 3.42Å; Y396-I398 VanDerWaalsContact O-N 3.16Å; I398-K400 VanDerWaalsContact C-N 3.26Å; I398-K400 PolarHBondContact O-N 3.18Å; I398-Y401 PolarHBondContact O-N 3.21Å; I398-Y402 PolarHBondContact O-N 2.8Å; I398-Y402 VanDerWaalsContact O-N 3.12Å
399	E	98.7	Very high	98.3	Very high	25 Å²	25	50.8 Å²	50.8	12%	0.117	26%	0.258	C	S	.	.	H	α-helix	trans	-63.9	-34.4	178.6	72.1	81.7	-155.2	0	0	112	K394 P397 Y402 R403	K394-E399 HydrophobicContact CG-CG 4.24Å; K394-E399 VanDerWaalsContact NZ-CD 3.27Å; K394-E399 IonicContact NZ-OE1 2.99Å; K394-E399 PolarHBondContact NZ-OE1 2.58Å; K394-E399 IonicContact NZ-OE2 2.8Å; K394-E399 PolarHBondContact NZ-OE2 2.95Å; K394-E399 VanDerWaalsContact NZ-OE2 3.14Å; P397-E399 PolarHBondContact O-N 3.24Å; E399-Y402 PolarHBondContact O-N 2.92Å; E399-R403 PolarHBondContact O-N 3.47Å; E399-R403 IonicContact OE1-CZ 3.43Å; E399-R403 IonicContact OE1-NE 3.46Å; E399-R403 IonicContact OE1-NH2 2.72Å; E399-R403 PolarHBondContact OE1-NH2 3.1Å; E399-R403 IonicContact OE2-CZ 3.89Å; E399-R403 IonicContact OE2-NE 2.94Å; E399-R403 PolarHBondContact OE2-NE 2.94Å; E399-R403 IonicContact OE2-NH2 2.97Å; E399-R403 PolarHBondContact OE2-NH2 2.98Å
400	K	98.8	Very high	98.3	Very high	12 Å²	12	52 Å²	52	5%	0.052	25%	0.249	C	C	.	.	H	α-helix	trans	-62.3	-48.3	173.8	179.6	179.8	178.9	-68.4	0	110.9	V78 D82 D130 P397 I398 Y402 R403 D404	V78-K400 HydrophobicContact CG1-CD 3.75Å; D82-K400 HydrophobicContact CB-CD 3.86Å; D130-K400 IonicContact OD1-NZ 3.68Å; D130-K400 PolarHBondContact OD1-NZ 3.32Å; D130-K400 IonicContact OD2-NZ 2.83Å; P397-K400 WeakPolarHBondContact O-CB 3.46Å; P397-K400 PolarHBondContact O-N 3.41Å; I398-K400 VanDerWaalsContact C-N 3.26Å; I398-K400 PolarHBondContact O-N 3.18Å; K400-Y402 PolarHBondContact O-N 2.8Å; K400-R403 PolarHBondContact O-N 3.43Å; K400-R403 VanDerWaalsContact O-N 3.16Å; K400-D404 WeakPolarHBondContact CG-OD2 3.41Å; K400-D404 IonicContact NZ-OD2 2.97Å; K400-D404 PolarHBondContact NZ-OD2 3.1Å; K400-D404 VanDerWaalsContact O-CB 3.3Å; K400-D404 WeakPolarHBondContact O-CB 3.14Å; K400-D404 PolarHBondContact O-N 2.97Å
401	Y	98.9	Very high	98.3	Very high	8 Å²	8	51.8 Å²	51.8	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-56.8	-39.3	176	-73.6	-69.6	0	0	0	112.6	K128 V129 P131 L302 C306 H309 P397 I398 D404 C405	K128-Y401 PolarHBondContact O-OH 3.33Å; V129-Y401 PolarHBondContact O-OH 3.44Å; P131-Y401 HydrophobicContact CG-CD1 4.3Å; P131-Y401 HydrophobicContact CG-CE1 4.36Å; L302-Y401 HydrophobicContact CB-CD1 4.06Å; L302-Y401 HydrophobicContact CB-CE1 4.38Å; L302-Y401 HydrophobicContact CD1-CD1 4.34Å; C306-Y401 HydrophobicContact CB-CD1 4.27Å; C306-Y401 HydrophobicContact CB-CD2 3.91Å; C306-Y401 HydrophobicContact CB-CG 3.75Å; H309-Y401 AromaticContact CD2-CE2 3.92Å; P397-Y401 HydrophobicContact CB-CD2 4.46Å; P397-Y401 HydrophobicContact CB-CE2 4.1Å; P397-Y401 VanDerWaalsContact O-CD2 3.27Å; P397-Y401 WeakPolarHBondContact O-CD2 3.33Å; P397-Y401 PolarHBondContact O-N 3.36Å; I398-Y401 PolarHBondContact O-N 3.21Å; Y401-D404 PolarHBondContact O-N 2.92Å; Y401-C405 WeakPolarHBondContact O-CB 3.38Å; Y401-C405 PolarHBondContact O-N 2.98Å
402	Y	98.8	Very high	98.2	Very high	101 Å²	101	53 Å²	53	40%	0.396	25%	0.249	S	C	.	.	H	α-helix	trans	-65.2	-44.4	176.4	179.4	-103.3	0	0	0	112.8	I384 I398 E399 K400 D404 C405	I384-Y402 VanDerWaalsContact CD1-CB 3.5Å; I384-Y402 HydrophobicContact CD1-CD1 3.98Å; I384-Y402 HydrophobicContact CD1-CD2 4.21Å; I384-Y402 HydrophobicContact CD1-CG 3.63Å; I398-Y402 PolarHBondContact O-N 2.8Å; I398-Y402 VanDerWaalsContact O-N 3.12Å; E399-Y402 PolarHBondContact O-N 2.92Å; K400-Y402 PolarHBondContact O-N 2.8Å; Y402-D404 VanDerWaalsContact C-N 3.32Å; Y402-D404 PolarHBondContact O-N 3.37Å; Y402-C405 PolarHBondContact O-SG 2.98Å
403	R	98.9	Very high	98.1	Very high	26 Å²	26	45.9 Å²	45.9	10%	0.098	22%	0.224	C	C	.	.	H	α-helix	trans	-61.9	-43.1	174	-70.6	-175.6	-67	104.7	-4.8	111.6	D82 L251 R254 E399 K400	D82-R403 VanDerWaalsContact CG-NH2 3.28Å; D82-R403 IonicContact OD1-CZ 3.47Å; D82-R403 IonicContact OD1-NH1 2.98Å; D82-R403 PolarHBondContact OD1-NH1 3.33Å; D82-R403 IonicContact OD1-NH2 3.78Å; D82-R403 PolarHBondContact OD1-NH2 3.02Å; D82-R403 IonicContact OD2-CZ 2.64Å; D82-R403 IonicContact OD2-NH1 3.92Å; D82-R403 IonicContact OD2-NH2 2.62Å; D82-R403 PolarHBondContact OD2-NH2 3.25Å; L251-R403 HydrophobicContact CD1-CB 4.38Å; L251-R403 HydrophobicContact CD1-CG 3.89Å; L251-R403 HydrophobicContact CG-CB 4.12Å; L251-R403 HydrophobicContact CG-CG 4.18Å; L251-R403 WeakPolarHBondContact O-CD 3.34Å; L251-R403 PolarHBondContact O-NH1 2.96Å; L251-R403 VanDerWaalsContact O-NH1 3.07Å; R254-R403 VanDerWaalsContact CD-NH1 3.32Å; E399-R403 PolarHBondContact O-N 3.47Å; E399-R403 IonicContact OE1-CZ 3.43Å; E399-R403 IonicContact OE1-NE 3.46Å; E399-R403 IonicContact OE1-NH2 2.72Å; E399-R403 PolarHBondContact OE1-NH2 3.1Å; E399-R403 IonicContact OE2-CZ 3.89Å; E399-R403 IonicContact OE2-NE 2.94Å; E399-R403 PolarHBondContact OE2-NE 2.94Å; E399-R403 IonicContact OE2-NH2 2.97Å; E399-R403 PolarHBondContact OE2-NH2 2.98Å; K400-R403 PolarHBondContact O-N 3.43Å; K400-R403 VanDerWaalsContact O-N 3.16Å
404	D	98.9	Very high	98.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-69	-37.5	-176.1	-73.4	-3.3	0	0	0	112.4	P131 G252 L253 K400 Y401 Y402 K406 I407	P131-D404 HydrophobicContact CB-CB 4.15Å; P131-D404 HydrophobicContact CG-CB 4.04Å; G252-D404 VanDerWaalsContact CA-OD1 3.23Å; G252-D404 WeakPolarHBondContact CA-OD1 3.29Å; L253-D404 HydrophobicContact CD1-CB 3.45Å; L253-D404 VanDerWaalsContact CD1-CB 3.45Å; L253-D404 PolarHBondContact N-OD1 3.03Å; K400-D404 WeakPolarHBondContact CG-OD2 3.41Å; K400-D404 IonicContact NZ-OD2 2.97Å; K400-D404 PolarHBondContact NZ-OD2 3.1Å; K400-D404 VanDerWaalsContact O-CB 3.3Å; K400-D404 WeakPolarHBondContact O-CB 3.14Å; K400-D404 PolarHBondContact O-N 2.97Å; Y401-D404 PolarHBondContact O-N 2.92Å; Y402-D404 VanDerWaalsContact C-N 3.32Å; Y402-D404 PolarHBondContact O-N 3.37Å; D404-K406 PolarHBondContact O-N 2.76Å; D404-I407 WeakPolarHBondContact O-CG2 3.3Å
405	C	98.5	Very high	98.1	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.007	20%	0.197	C	C	.	.	H	α-helix	trans	-64.7	-28.2	-177.3	81.1	0	0	0	0	113.5	L302 A376 T380 Y401 Y402 I407 G408	L302-C405 HydrophobicContact CD1-CB 3.55Å; L302-C405 HydrophobicContact CD2-CB 4.26Å; A376-C405 HydrophobicContact CB-CB 4.03Å; T380-C405 HydrophobicContact CG2-CB 4.17Å; T380-C405 PolarHBondContact OG1-SG 3.45Å; Y401-C405 WeakPolarHBondContact O-CB 3.38Å; Y401-C405 PolarHBondContact O-N 2.98Å; Y402-C405 PolarHBondContact O-SG 2.98Å; C405-I407 PolarHBondContact O-N 2.9Å; C405-G408 PolarHBondContact O-N 3.39Å
406	K	98.6	Very high	98.2	Very high	69 Å²	69	38.1 Å²	38.1	30%	0.3	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-67.1	-27.9	-167.9	-165.4	59.7	-95.5	159.6	0	112.5	L251 T377 D404 G408 T409	L251-K406 HydrophobicContact CD2-CB 4.29Å; T377-K406 PolarHBondContact OG1-NZ 3.2Å; T377-K406 VanDerWaalsContact OG1-NZ 3.14Å; D404-K406 PolarHBondContact O-N 2.76Å; K406-G408 PolarHBondContact O-N 2.89Å; K406-T409 WeakPolarHBondContact CE-OG1 3.47Å; K406-T409 PolarHBondContact NZ-OG1 3.4Å; K406-T409 PolarHBondContact O-N 3.35Å; K406-T409 PolarHBondContact O-OG1 2.84Å
407	I	98.6	Very high	98.3	Very high	50 Å²	50	35.3 Å²	35.3	26%	0.256	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-66.3	-23.9	176.1	-164.9	62.5	0	0	0	112.6	L253 D404 C405 T409 I410 Y411	L253-I407 HydrophobicContact CD1-CG2 4.09Å; L253-I407 HydrophobicContact CD2-CB 4.35Å; L253-I407 HydrophobicContact CD2-CG1 4.42Å; L253-I407 HydrophobicContact CD2-CG2 3.33Å; L253-I407 HydrophobicContact CG-CG2 4.26Å; D404-I407 WeakPolarHBondContact O-CG2 3.3Å; C405-I407 PolarHBondContact O-N 2.9Å; I407-T409 PolarHBondContact O-N 3.29Å; I407-I410 HydrophobicContact CD1-CB 4.27Å; I407-I410 WeakPolarHBondContact O-CA 3.47Å; I407-I410 WeakPolarHBondContact O-CB 3.41Å; I407-I410 PolarHBondContact O-N 2.95Å; I407-Y411 HydrophobicContact CG1-CD1 4.27Å; I407-Y411 HydrophobicContact CG1-CD2 3.91Å; I407-Y411 HydrophobicContact CG1-CE2 4.16Å; I407-Y411 HydrophobicContact CG1-CG 3.95Å; I407-Y411 HydrophobicContact CG2-CE1 4.34Å; I407-Y411 HydrophobicContact CG2-CE2 4.47Å; I407-Y411 WeakPolarHBondContact O-CD1 3.31Å; I407-Y411 PolarHBondContact O-N 2.79Å; I407-Y411 VanDerWaalsContact O-N 3.1Å
408	G	98.6	Very high	98.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-58.6	-30.2	179.9	0	0	0	0	0	113.9	M299 K369 S373 C405 K406 I410	M299-G408 VanDerWaalsContact SD-CA 3.58Å; K369-G408 VanDerWaalsContact CE-O 3.29Å; K369-G408 WeakPolarHBondContact CE-O 3.38Å; K369-G408 PolarHBondContact NZ-O 3.48Å; S373-G408 VanDerWaalsContact CB-C 3.46Å; S373-G408 WeakPolarHBondContact CB-O 3.39Å; C405-G408 PolarHBondContact O-N 3.39Å; K406-G408 PolarHBondContact O-N 2.89Å; G408-I410 VanDerWaalsContact C-N 3.28Å; G408-I410 PolarHBondContact O-N 2.91Å
409	T	98.6	Very high	98.4	Very high	17 Å²	17	36.2 Å²	36.2	10%	0.104	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-85	-1.1	176.9	60.7	0	0	0	0	113	E374 K406 I407 T414 T415	E374-T409 WeakPolarHBondContact OE1-CG2 3.31Å; K406-T409 WeakPolarHBondContact CE-OG1 3.47Å; K406-T409 PolarHBondContact NZ-OG1 3.4Å; K406-T409 PolarHBondContact O-N 3.35Å; K406-T409 PolarHBondContact O-OG1 2.84Å; I407-T409 PolarHBondContact O-N 3.29Å; T409-T414 WeakPolarHBondContact O-CA 3.14Å; T409-T415 PolarHBondContact O-N 3.37Å
410	I	98.8	Very high	98.4	Very high	91 Å²	91	38.2 Å²	38.2	47%	0.467	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-64.1	-168.7	-57	173.7	0	0	0	111.7	I407 G408 G413 T414	I407-I410 HydrophobicContact CD1-CB 4.27Å; I407-I410 WeakPolarHBondContact O-CA 3.47Å; I407-I410 WeakPolarHBondContact O-CB 3.41Å; I407-I410 PolarHBondContact O-N 2.95Å; G408-I410 VanDerWaalsContact C-N 3.28Å; G408-I410 PolarHBondContact O-N 2.91Å; I410-G413 CarbonylContact O-C 3.6Å; I410-T414 WeakPolarHBondContact O-CA 3.34Å; I410-T414 WeakPolarHBondContact O-CG2 3.32Å; I410-T414 PolarHBondContact O-N 3.38Å; I410-T414 VanDerWaalsContact O-N 3.17Å
411	Y	97.3	Very high	98.3	Very high	40 Å²	40	39 Å²	39	16%	0.157	21%	0.205	C	C	.	.	S	Bend	trans	-76.2	169.3	-173.5	73.2	-11.9	0	0	0	113.2	V135 L253 I295 Q298 K369 I407 G413	V135-Y411 HydrophobicContact CG2-CE2 4Å; L253-Y411 HydrophobicContact CD2-CE2 4.17Å; I295-Y411 HydrophobicContact CB-CE1 4.42Å; I295-Y411 HydrophobicContact CD1-CE1 3.65Å; I295-Y411 HydrophobicContact CD1-CE2 4.04Å; I295-Y411 WeakPolarHBondContact CD1-OH 3.36Å; I295-Y411 HydrophobicContact CG1-CE1 4.01Å; I295-Y411 HydrophobicContact CG2-CD1 4.32Å; I295-Y411 HydrophobicContact CG2-CE1 3.52Å; Q298-Y411 VanDerWaalsContact CD-OH 3.25Å; Q298-Y411 PolarHBondContact NE2-OH 3.46Å; Q298-Y411 PolarHBondContact OE1-OH 3.15Å; K369-Y411 VanDerWaalsContact CE-O 3.28Å; K369-Y411 WeakPolarHBondContact CE-O 3.26Å; K369-Y411 PolarHBondContact NZ-O 3.17Å; I407-Y411 HydrophobicContact CG1-CD1 4.27Å; I407-Y411 HydrophobicContact CG1-CD2 3.91Å; I407-Y411 HydrophobicContact CG1-CE2 4.16Å; I407-Y411 HydrophobicContact CG1-CG 3.95Å; I407-Y411 HydrophobicContact CG2-CE1 4.34Å; I407-Y411 HydrophobicContact CG2-CE2 4.47Å; I407-Y411 WeakPolarHBondContact O-CD1 3.31Å; I407-Y411 PolarHBondContact O-N 2.79Å; I407-Y411 VanDerWaalsContact O-N 3.1Å; Y411-G413 PolarHBondContact O-N 3.36Å; Y411-G413 VanDerWaalsContact O-N 3.11Å
412	E	96.1	Very high	98.3	Very high	25 Å²	25	39.2 Å²	39.2	12%	0.117	21%	0.207	C	C	.	.	S	Bend	trans	56.1	30.1	-178.2	-71.7	-108.2	-160.2	0	0	112.8	L288 R292 I295 Q418	L288-E412 WeakPolarHBondContact CD2-OE2 3.36Å; R292-E412 PolarHBondContact NE-O 2.93Å; I295-E412 HydrophobicContact CD1-CG 4.2Å; I295-E412 HydrophobicContact CG1-CB 3.85Å; I295-E412 HydrophobicContact CG1-CG 3.65Å; E412-Q418 PolarHBondContact O-NE2 2.89Å
413	G	97.2	Very high	98.2	Very high	20 Å²	20	37.1 Å²	37.1	21%	0.206	21%	0.211	C	C	.	.	S	Bend	trans	90.8	120.8	-171.3	0	0	0	0	0	111.9	K369 I410 Y411 Q418	K369-G413 PolarHBondContact NZ-O 3.05Å; I410-G413 CarbonylContact O-C 3.6Å; Y411-G413 PolarHBondContact O-N 3.36Å; Y411-G413 VanDerWaalsContact O-N 3.11Å; G413-Q418 PolarHBondContact O-NE2 3.16Å
414	T	98.5	Very high	98.2	Very high	39 Å²	39	42.8 Å²	42.8	24%	0.239	24%	0.236	C	C	.	.			trans	-59.9	163.3	177.8	65.1	0	0	0	0	111.7	T409 I410 N416 V417 Q418	T409-T414 WeakPolarHBondContact O-CA 3.14Å; I410-T414 WeakPolarHBondContact O-CA 3.34Å; I410-T414 WeakPolarHBondContact O-CG2 3.32Å; I410-T414 PolarHBondContact O-N 3.38Å; I410-T414 VanDerWaalsContact O-N 3.17Å; T414-N416 PolarHBondContact O-N 3.03Å; T414-N416 VanDerWaalsContact O-N 3.11Å; T414-V417 WeakPolarHBondContact O-CA 3.46Å; T414-V417 WeakPolarHBondContact O-CB 3.34Å; T414-V417 PolarHBondContact O-N 3.34Å; T414-V417 PolarHBondContact OG1-N 2.93Å; T414-Q418 WeakPolarHBondContact O-CG 3.33Å; T414-Q418 PolarHBondContact O-N 3.24Å
415	T	98.3	Very high	98.1	Very high	20 Å²	20	45.9 Å²	45.9	12%	0.123	25%	0.249	C	C	.	.	H	α-helix	trans	-45.7	-43.5	172.3	-69.5	0	0	0	0	112.1	Y370 E374 T409 V417 Q418 L419	Y370-T415 HydrophobicContact CD2-CG2 3.56Å; Y370-T415 HydrophobicContact CE2-CG2 3.56Å; E374-T415 PolarHBondContact OE1-OG1 3.09Å; T409-T415 PolarHBondContact O-N 3.37Å; T415-V417 PolarHBondContact O-N 2.59Å; T415-Q418 WeakPolarHBondContact O-CB 3.37Å; T415-Q418 PolarHBondContact O-N 3.19Å; T415-L419 HydrophobicContact CG2-CD1 3.92Å; T415-L419 HydrophobicContact CG2-CG 4.39Å; T415-L419 VanDerWaalsContact O-CG 3.31Å; T415-L419 WeakPolarHBondContact O-CG 3.37Å; T415-L419 PolarHBondContact O-N 3.37Å
416	N	98.6	Very high	98.1	Very high	111 Å²	111	49.1 Å²	49.1	59%	0.594	27%	0.266	S	S	*	.	H	α-helix	trans	-67.4	-34.4	178.6	-68.6	-2.6	0	0	0	113.4	T414 L419 S420	T414-N416 PolarHBondContact O-N 3.03Å; T414-N416 VanDerWaalsContact O-N 3.11Å; N416-L419 PolarHBondContact O-N 2.64Å; N416-S420 VanDerWaalsContact O-CB 3.27Å; N416-S420 WeakPolarHBondContact O-CB 3.42Å; N416-S420 PolarHBondContact O-N 3.23Å; N416-S420 PolarHBondContact O-OG 3.26Å
417	V	98.3	Very high	98	Very high	34 Å²	34	51.1 Å²	51.1	21%	0.206	28%	0.28	C	S	.	.	H	α-helix	trans	-66.9	-39.2	173.5	171.7	0	0	0	0	110.6	T414 T415 T421	T414-V417 WeakPolarHBondContact O-CA 3.46Å; T414-V417 WeakPolarHBondContact O-CB 3.34Å; T414-V417 PolarHBondContact O-N 3.34Å; T414-V417 PolarHBondContact OG1-N 2.93Å; T415-V417 PolarHBondContact O-N 2.59Å; V417-T421 WeakPolarHBondContact O-CB 3.34Å; V417-T421 PolarHBondContact O-N 3.01Å; V417-T421 PolarHBondContact O-OG1 3.14Å
418	Q	98.6	Very high	97.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.4	-50.1	174.5	-52.9	-50.3	-33.6	0	0	110.7	R292 C366 K369 E412 G413 T414 T415 S420 T421 M422	R292-Q418 VanDerWaalsContact CD-OE1 3.3Å; C366-Q418 HydrophobicContact CB-CB 4.32Å; C366-Q418 PolarHBondContact SG-OE1 3.41Å; C366-Q418 VanDerWaalsContact SG-OE1 3.38Å; K369-Q418 HydrophobicContact CD-CG 4Å; E412-Q418 PolarHBondContact O-NE2 2.89Å; G413-Q418 PolarHBondContact O-NE2 3.16Å; T414-Q418 WeakPolarHBondContact O-CG 3.33Å; T414-Q418 PolarHBondContact O-N 3.24Å; T415-Q418 WeakPolarHBondContact O-CB 3.37Å; T415-Q418 PolarHBondContact O-N 3.19Å; Q418-S420 PolarHBondContact O-N 3.08Å; Q418-T421 PolarHBondContact O-N 3.44Å; Q418-M422 HydrophobicContact CB-CE 4.38Å; Q418-M422 WeakPolarHBondContact O-CG 3Å; Q418-M422 PolarHBondContact O-N 3.17Å
419	L	98.6	Very high	97.8	Very high	71 Å²	71	59.9 Å²	59.9	37%	0.372	32%	0.318	S	S	.	.	H	α-helix	trans	-59.4	-44.5	178.3	-66.9	171	0	0	0	111.9	Y370 T415 N416 T421 M422 A423	Y370-L419 HydrophobicContact CE1-CD2 4.32Å; Y370-L419 HydrophobicContact CE2-CD2 4.36Å; T415-L419 HydrophobicContact CG2-CD1 3.92Å; T415-L419 HydrophobicContact CG2-CG 4.39Å; T415-L419 VanDerWaalsContact O-CG 3.31Å; T415-L419 WeakPolarHBondContact O-CG 3.37Å; T415-L419 PolarHBondContact O-N 3.37Å; N416-L419 PolarHBondContact O-N 2.64Å; L419-T421 PolarHBondContact O-N 3.19Å; L419-M422 HydrophobicContact CD2-CE 3.71Å; L419-M422 HydrophobicContact CG-CE 4.35Å; L419-M422 PolarHBondContact O-N 3.21Å; L419-A423 WeakPolarHBondContact O-CB 3.3Å; L419-A423 PolarHBondContact O-N 3.33Å
420	S	98.4	Very high	97.6	Very high	67 Å²	67	66.7 Å²	66.7	47%	0.469	34%	0.343	S	S	.	.	H	α-helix	trans	-64.6	-39.6	178.2	-60.6	0	0	0	0	112	N416 Q418 K424	N416-S420 VanDerWaalsContact O-CB 3.27Å; N416-S420 WeakPolarHBondContact O-CB 3.42Å; N416-S420 PolarHBondContact O-N 3.23Å; N416-S420 PolarHBondContact O-OG 3.26Å; Q418-S420 PolarHBondContact O-N 3.08Å; S420-K424 WeakPolarHBondContact O-CG 3.49Å; S420-K424 PolarHBondContact O-N 3.31Å
421	T	97.5	Very high	97.3	Very high	28 Å²	28	67.8 Å²	67.8	17%	0.172	35%	0.35	C	S	.	.	H	α-helix	trans	-64.6	-50.3	175.1	-57	0	0	0	0	110.5	I362 C366 V417 Q418 L419 A423 K424 F425	I362-T421 HydrophobicContact CG2-CG2 4.12Å; C366-T421 VanDerWaalsContact SG-CG2 3.56Å; V417-T421 WeakPolarHBondContact O-CB 3.34Å; V417-T421 PolarHBondContact O-N 3.01Å; V417-T421 PolarHBondContact O-OG1 3.14Å; Q418-T421 PolarHBondContact O-N 3.44Å; L419-T421 PolarHBondContact O-N 3.19Å; T421-A423 VanDerWaalsContact C-N 3.34Å; T421-A423 PolarHBondContact O-N 3.22Å; T421-K424 PolarHBondContact O-N 2.99Å; T421-F425 HydrophobicContact CG2-CD2 3.99Å; T421-F425 HydrophobicContact CG2-CE2 3.84Å; T421-F425 WeakPolarHBondContact O-CD2 3.37Å; T421-F425 PolarHBondContact O-N 3.36Å
422	M	97.8	Very high	95.8	Very high	14 Å²	14	77.4 Å²	77.4	7%	0.069	40%	0.395	C	S	.	.	H	α-helix	trans	-57.3	-45.8	178	-72.2	-175	-69.4	0	0	112	K363 C366 M367 Y370 Q418 L419 K424 F425 I426	K363-M422 HydrophobicContact CG-CG 4.48Å; C366-M422 HydrophobicContact CB-CG 3.45Å; C366-M422 VanDerWaalsContact CB-CG 3.45Å; C366-M422 HydrophobicContact CB-SD 4.03Å; M367-M422 HydrophobicContact CB-SD 4.03Å; M367-M422 HydrophobicContact CG-CG 4.38Å; M367-M422 HydrophobicContact CG-SD 3.28Å; M367-M422 WeakPolarHBondContact CG-SD 3.37Å; M367-M422 PolarHBondContact N-SD 2.67Å; Y370-M422 HydrophobicContact CD1-CE 4.16Å; Y370-M422 HydrophobicContact CG-CE 4.34Å; Q418-M422 HydrophobicContact CB-CE 4.38Å; Q418-M422 WeakPolarHBondContact O-CG 3Å; Q418-M422 PolarHBondContact O-N 3.17Å; L419-M422 HydrophobicContact CD2-CE 3.71Å; L419-M422 HydrophobicContact CG-CE 4.35Å; L419-M422 PolarHBondContact O-N 3.21Å; M422-K424 VanDerWaalsContact C-N 3.29Å; M422-K424 PolarHBondContact O-N 3.31Å; M422-F425 PolarHBondContact O-N 3.43Å; M422-I426 WeakPolarHBondContact O-CG1 3.22Å; M422-I426 PolarHBondContact O-N 2.9Å
423	A	98.4	Very high	95.8	Very high	57 Å²	57	80.1 Å²	80.1	47%	0.471	41%	0.409	S	S	.	.	H	α-helix	trans	-56.3	-42.3	178.5	0	0	0	0	0	112.1	L419 T421 F425 I426 D427	L419-A423 WeakPolarHBondContact O-CB 3.3Å; L419-A423 PolarHBondContact O-N 3.33Å; T421-A423 VanDerWaalsContact C-N 3.34Å; T421-A423 PolarHBondContact O-N 3.22Å; A423-F425 VanDerWaalsContact C-N 3.33Å; A423-F425 PolarHBondContact O-N 3.44Å; A423-I426 PolarHBondContact O-N 3.35Å; A423-D427 WeakPolarHBondContact O-CB 3.37Å; A423-D427 PolarHBondContact O-N 3.24Å
424	K	97.6	Very high	95.7	Very high	144 Å²	144	83.2 Å²	83.2	63%	0.626	42%	0.42	S	S	*	.	H	α-helix	trans	-65.2	-32.4	176.5	-69.9	172.8	-178.3	179	0	113.7	S420 T421 M422 K428	S420-K424 WeakPolarHBondContact O-CG 3.49Å; S420-K424 PolarHBondContact O-N 3.31Å; T421-K424 PolarHBondContact O-N 2.99Å; M422-K424 VanDerWaalsContact C-N 3.29Å; M422-K424 PolarHBondContact O-N 3.31Å; K424-K428 WeakPolarHBondContact O-CG 3.33Å
425	F	97.3	Very high	95.5	Very high	65 Å²	65	85.7 Å²	85.7	29%	0.285	43%	0.43	S	S	.	.	H	α-helix	trans	-76.3	-41.2	175.4	-82.9	-84.1	0	0	0	111.3	I362 K363 T421 M422 A423 K428 E429	I362-F425 HydrophobicContact CB-CE1 4.31Å; I362-F425 HydrophobicContact CB-CE2 3.91Å; I362-F425 HydrophobicContact CB-CZ 3.67Å; I362-F425 HydrophobicContact CD1-CZ 3.8Å; I362-F425 HydrophobicContact CG1-CZ 4.31Å; I362-F425 HydrophobicContact CG2-CD2 4.27Å; I362-F425 HydrophobicContact CG2-CE2 3.38Å; I362-F425 HydrophobicContact CG2-CZ 3.61Å; K363-F425 HydrophobicContact CB-CB 4.05Å; K363-F425 HydrophobicContact CB-CG 4.25Å; K363-F425 HydrophobicContact CD-CB 4.28Å; K363-F425 HydrophobicContact CG-CB 4.27Å; T421-F425 HydrophobicContact CG2-CD2 3.99Å; T421-F425 HydrophobicContact CG2-CE2 3.84Å; T421-F425 WeakPolarHBondContact O-CD2 3.37Å; T421-F425 PolarHBondContact O-N 3.36Å; M422-F425 PolarHBondContact O-N 3.43Å; A423-F425 VanDerWaalsContact C-N 3.33Å; A423-F425 PolarHBondContact O-N 3.44Å; F425-K428 PolarHBondContact O-N 2.96Å; F425-E429 WeakPolarHBondContact O-CG 3.44Å; F425-E429 PolarHBondContact O-N 2.75Å
426	I	97.7	Very high	95.4	Very high	70 Å²	70	89.5 Å²	89.5	36%	0.359	45%	0.448	S	S	.	.	H	α-helix	trans	-60.5	-47	175.9	-67.9	166.7	0	0	0	110.2	K363 M422 A423 K428 E429 Y430	K363-I426 HydrophobicContact CD-CG1 4.27Å; M422-I426 WeakPolarHBondContact O-CG1 3.22Å; M422-I426 PolarHBondContact O-N 2.9Å; A423-I426 PolarHBondContact O-N 3.35Å; I426-K428 VanDerWaalsContact C-N 3.3Å; I426-K428 PolarHBondContact O-N 3.01Å; I426-E429 WeakPolarHBondContact O-CB 3.21Å; I426-E429 PolarHBondContact O-N 3.47Å; I426-Y430 HydrophobicContact CG2-CD2 4.42Å; I426-Y430 HydrophobicContact CG2-CE2 4.04Å; I426-Y430 WeakPolarHBondContact O-CD2 3.36Å
427	D	97.6	Very high	95.2	Very high	110 Å²	110	88.2 Å²	88.2	59%	0.588	44%	0.439	S	S	*	.	H	α-helix	trans	-52	-48.9	177.8	-166.8	38.9	0	0	0	111.7	A423 E429 Y430 D431	A423-D427 WeakPolarHBondContact O-CB 3.37Å; A423-D427 PolarHBondContact O-N 3.24Å; D427-E429 VanDerWaalsContact C-N 3.26Å; D427-E429 PolarHBondContact O-N 3.43Å; D427-Y430 PolarHBondContact O-N 3.07Å; D427-D431 PolarHBondContact O-N 3.04Å
428	K	96.1	Very high	95	Very high	137 Å²	137	91.8 Å²	91.8	60%	0.596	46%	0.455	S	S	*	.	H	α-helix	trans	-64.4	-22.2	177.6	-70	177.3	179.9	-174.5	0	115.1	K424 F425 I426 Y430	K424-K428 WeakPolarHBondContact O-CG 3.33Å; F425-K428 PolarHBondContact O-N 2.96Å; I426-K428 VanDerWaalsContact C-N 3.3Å; I426-K428 PolarHBondContact O-N 3.01Å; K428-Y430 PolarHBondContact O-N 3.39Å
429	E	95.9	Very high	94.7	Very high	97 Å²	97	98.4 Å²	98.4	45%	0.453	49%	0.487	S	S	.	.	H	α-helix	trans	-71.9	-15.8	176.6	-72.8	163.6	-154.6	0	0	112.1	K363 F425 I426 D427	K363-E429 WeakPolarHBondContact CD-OE1 3.46Å; K363-E429 WeakPolarHBondContact CE-OE1 3.29Å; K363-E429 IonicContact NZ-OE1 2.67Å; K363-E429 PolarHBondContact NZ-OE1 2.98Å; K363-E429 IonicContact NZ-OE2 2.94Å; K363-E429 PolarHBondContact NZ-OE2 3.39Å; F425-E429 WeakPolarHBondContact O-CG 3.44Å; F425-E429 PolarHBondContact O-N 2.75Å; I426-E429 WeakPolarHBondContact O-CB 3.21Å; I426-E429 PolarHBondContact O-N 3.47Å; D427-E429 VanDerWaalsContact C-N 3.26Å; D427-E429 PolarHBondContact O-N 3.43Å
430	Y	95.8	Very high	94.4	Very high	161 Å²	161	100.5 Å²	100.5	63%	0.631	50%	0.496	S	S	*	.	S	Bend	trans	-113.6	5.1	178.9	-61.3	-84.4	0	0	0	113.3	I426 D427 K428 H432	I426-Y430 HydrophobicContact CG2-CD2 4.42Å; I426-Y430 HydrophobicContact CG2-CE2 4.04Å; I426-Y430 WeakPolarHBondContact O-CD2 3.36Å; D427-Y430 PolarHBondContact O-N 3.07Å; K428-Y430 PolarHBondContact O-N 3.39Å; Y430-H432 PolarHBondContact O-N 3.21Å
431	D	91.3	Very high	94.1	Very high	114 Å²	114	103.3 Å²	103.3	61%	0.61	50%	0.498	S	S	*	.			trans	-68.5	99	165.9	-75.3	-23.8	0	0	0	108	D427	D427-D431 PolarHBondContact O-N 3.04Å
432	H	66.3	Low	93.8	Very high	242 Å²	242	110.1 Å²	110.1	100%	1.12	53%	0.528	S	S	*	.			trans	-84.7	0	175.3	-71.5	-50.1	0	0	0	112.8	Y430	Y430-H432 PolarHBondContact O-N 3.21Å

Retrieved 432 of 432 residues in 536.8 ms (Link to these results)

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