A0A087Y4N9_POEFO Loading...

Corrinoid adenosyltransferase MMAB

Converts cob(I)alamin to adenosylcobalamin (adenosylcob(III)alamin), a coenzyme for methylmalonyl-CoA mutase, therefore participates in the final step of the vitamin B12 conversion. Generates adenosylcobalamin (AdoCbl) and directly delivers the cofactor to MUT in a transfer that is stimulated by ATP-binding to MMAB and gated by MMAA.

AlphaFold DB , UniProt , Accession A0A087Y4N9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 230 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.5	Very low	30.9	Very low	231 Å²	231	151.3 Å²	151.3	100%	1.138	80%	0.797	S	S	*	*				0	86.8	0	-70.3	172.7	173.7	0	0	106.6
2	T	30.3	Very low	30.5	Very low	140 Å²	140	156.3 Å²	156.3	86%	0.859	80%	0.797	S	S	*	*				56.5	119.6	104.1	50.2	0	0	0	0	111.6
3	S	30.5	Very low	30.3	Very low	104 Å²	104	152.6 Å²	152.6	73%	0.727	79%	0.792	S	S	*	*			cis	-165.5	125.7	36.1	177.6	0	0	0	0	108
4	V	30.5	Very low	30.1	Very low	118 Å²	118	156.7 Å²	156.7	72%	0.715	80%	0.802	S	S	*	*				25.9	122.8	104.5	-171.3	0	0	0	0	116.1
5	I	35	Very low	30	Very low	157 Å²	157	153.4 Å²	153.4	81%	0.805	79%	0.791	S	S	*	*				-167	119.2	117.8	-85.9	151.7	0	0	0	109.6
6	T	31.2	Very low	30	Very low	113 Å²	113	157.8 Å²	157.8	69%	0.693	80%	0.795	S	S	*	*			trans	-86.6	151	172.3	0.4	0	0	0	0	110.1
7	R	30.6	Very low	30.1	Very low	248 Å²	248	157.5 Å²	157.5	94%	0.936	80%	0.803	S	S	*	*			trans	-126.4	124	153.4	-88.3	-169.5	174.7	-136.8	0.2	110.7
8	H	29.5	Very low	30.1	Very low	177 Å²	177	162.2 Å²	162.2	82%	0.819	81%	0.809	S	S	*	*			trans	-93.7	157.7	179.6	-117.5	36.6	0	0	0	111
9	A	30.8	Very low	30.1	Very low	80 Å²	80	166.1 Å²	166.1	66%	0.661	81%	0.813	S	S	*	*			trans	-63.9	167.6	166.1	0	0	0	0	0	113
10	L	29.1	Very low	30.3	Very low	138 Å²	138	165.4 Å²	165.4	72%	0.723	81%	0.813	S	S	*	*			trans	141.8	125.2	130.3	-72.2	168.1	0	0	0	114
11	F	25.6	Very low	30.5	Very low	158 Å²	158	165.3 Å²	165.3	69%	0.693	81%	0.814	S	S	*	*				77.8	130.3	125.5	-85.6	-128.9	0	0	0	124
12	R	26.8	Very low	30.4	Very low	211 Å²	211	159.1 Å²	159.1	80%	0.796	79%	0.793	S	S	*	*			trans	74.9	115.9	131.5	-78.6	-175.7	179.8	-170.7	-5.1	121.5
13	C	27.2	Very low	30.6	Very low	109 Å²	109	160.4 Å²	160.4	74%	0.736	79%	0.789	S	S	*	*				44.5	116.3	111.1	-156	0	0	0	0	118.1
14	F	28.4	Very low	31	Very low	210 Å²	210	163.8 Å²	163.8	92%	0.921	79%	0.793	S	S	*	*			trans	-144.6	155.3	154.8	-124.1	-92.3	0	0	0	112.2
15	V	28.7	Very low	30.9	Very low	107 Å²	107	169.3 Å²	169.3	65%	0.648	80%	0.802	S	S	*	*			trans	-105.4	150.9	-152.3	159.6	0	0	0	0	112.5
16	R	29.6	Very low	31.1	Very low	224 Å²	224	167.4 Å²	167.4	85%	0.845	80%	0.797	S	S	*	*			trans	38.4	136.2	154.7	-77	171.5	165	175.1	-3.7	120.7
17	T	31.6	Very low	31.5	Very low	152 Å²	152	167.5 Å²	167.5	93%	0.933	80%	0.8	S	S	*	*				-144.8	134	127.5	23.1	0	0	0	0	111.5
18	R	30.8	Very low	31.9	Very low	243 Å²	243	164.2 Å²	164.2	92%	0.917	79%	0.792	S	S	*	*			trans	-103.5	136.4	174.7	-121.1	-173.2	-177.5	-150.1	1.4	107.7
19	R	29.7	Very low	32.7	Very low	235 Å²	235	161.7 Å²	161.7	89%	0.887	79%	0.792	S	S	*	*			trans	-165	105.2	151.1	-105.8	178.4	-173.2	-160.3	1.5	106.8
20	L	32.8	Very low	33	Very low	153 Å²	153	165.3 Å²	165.3	80%	0.801	80%	0.799	S	S	*	*				69.4	95.5	92.5	-84	167.9	0	0	0	113.1
21	I	34.7	Very low	33.5	Very low	164 Å²	164	164.2 Å²	164.2	84%	0.841	80%	0.802	S	S	*	*			trans	-139.7	121.6	136.5	-61	-174.1	0	0	0	106.8
22	S	34.7	Very low	34.4	Very low	100 Å²	100	161 Å²	161	70%	0.699	80%	0.799	S	S	*	*			trans	-102.6	122.5	172.5	60	0	0	0	0	108.3
23	E	35.4	Very low	35.2	Very low	167 Å²	167	158.3 Å²	158.3	78%	0.78	80%	0.8	S	S	*	*			trans	-142.6	110.2	158.1	-71.7	-165.2	165.4	0	0	110.3
24	H	37.9	Very low	35.8	Very low	175 Å²	175	162.9 Å²	162.9	81%	0.81	80%	0.802	S	S	*	*			trans	40.4	97.7	145.3	-49	-51.3	0	0	0	119.7
25	W	29	Very low	36.6	Very low	235 Å²	235	157.9 Å²	157.9	89%	0.89	79%	0.793	S	S	*	*			trans	-137.3	117.9	152.5	-147.3	75.6	0	0	0	110.1
26	T	38.4	Very low	37.3	Very low	116 Å²	116	163 Å²	163	71%	0.712	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-83.8	136.5	176.5	44.2	0	0	0	0	109.9	K28	T26-K28 PolarHBondContact O-N 3.23Å
27	P	40	Very low	38.3	Very low	116 Å²	116	156.3 Å²	156.3	75%	0.753	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-81.5	117.9	179.4	31.4	-29.2	0	0	0	109.4
28	K	38.9	Very low	39.3	Very low	178 Å²	178	155 Å²	155	77%	0.774	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-94.4	124.4	158.7	-77.1	-175.4	179.8	178.1	0	108.3	T26 L30	T26-K28 PolarHBondContact O-N 3.23Å; K28-L30 PolarHBondContact O-N 3.41Å
29	P	46.4	Very low	40.7	Very low	124 Å²	124	151.8 Å²	151.8	81%	0.805	78%	0.783	S	S	*	*			trans	-80.5	104.1	171.8	31.9	-26.7	0	0	0	107.5
30	L	38	Very low	42.2	Very low	157 Å²	157	149 Å²	149	82%	0.822	78%	0.78	S	S	*	*			trans	-108.8	99.4	154.7	-107.7	97.8	0	0	0	107.5	K28 S32	K28-L30 PolarHBondContact O-N 3.41Å; L30-S32 PolarHBondContact O-N 3.14Å; L30-S32 VanDerWaalsContact O-N 3.14Å
31	C	39	Very low	43.8	Very low	115 Å²	115	147.9 Å²	147.9	78%	0.777	78%	0.779	S	S	*	*			trans	-53	114.8	156.9	-175.7	0	0	0	0	108.3
32	S	43.5	Very low	45.5	Very low	89 Å²	89	149 Å²	149	62%	0.622	78%	0.777	S	S	*	*			trans	-140.3	101	135.9	75.7	0	0	0	0	106.5	L30 R34	L30-S32 PolarHBondContact O-N 3.14Å; L30-S32 VanDerWaalsContact O-N 3.14Å; S32-R34 PolarHBondContact O-N 3.24Å
33	D	44.6	Very low	47.4	Very low	156 Å²	156	148.7 Å²	148.7	83%	0.834	78%	0.775	S	S	*	*			trans	-60.9	76.8	156.9	-78.9	-33.8	0	0	0	107.8	S35	D33-S35 PolarHBondContact O-N 2.92Å
34	R	40.3	Very low	49.7	Very low	205 Å²	205	146.6 Å²	146.6	77%	0.774	78%	0.776	S	S	*	*			trans	-85	82.7	157	-83.1	-174.4	176.1	-169.3	-0.3	105.3	S32 Y36	S32-R34 PolarHBondContact O-N 3.24Å; R34-Y36 VanDerWaalsContact C-N 3.31Å; R34-Y36 PolarHBondContact O-N 2.75Å
35	S	44.8	Very low	52.2	Low	105 Å²	105	145 Å²	145	73%	0.734	77%	0.767	S	S	*	*			trans	-50	107.5	154	55.8	0	0	0	0	105.9	D33 A37	D33-S35 PolarHBondContact O-N 2.92Å; S35-A37 PolarHBondContact O-N 2.89Å
36	Y	43.2	Very low	55.1	Low	213 Å²	213	142.3 Å²	142.3	84%	0.835	77%	0.768	S	S	*	*			trans	-60.7	100	163	-76.3	-90.5	0	0	0	104.5	R34 T38	R34-Y36 VanDerWaalsContact C-N 3.31Å; R34-Y36 PolarHBondContact O-N 2.75Å; Y36-T38 VanDerWaalsContact C-N 3.31Å; Y36-T38 PolarHBondContact O-N 2.82Å
37	A	50.4	Low	57.7	Low	84 Å²	84	143.7 Å²	143.7	69%	0.694	76%	0.761	S	S	*	*			trans	-55.3	107.6	166.2	0	0	0	0	0	104.8	S35 E39	S35-A37 PolarHBondContact O-N 2.89Å; A37-E39 VanDerWaalsContact C-N 3.26Å; A37-E39 PolarHBondContact O-N 2.85Å
38	T	53.1	Low	60.2	Low	124 Å²	124	142.8 Å²	142.8	76%	0.761	75%	0.754	S	S	*	*			trans	-59.4	101.6	162.5	45.1	0	0	0	0	104.4	Y36 E40	Y36-T38 VanDerWaalsContact C-N 3.31Å; Y36-T38 PolarHBondContact O-N 2.82Å; T38-E40 VanDerWaalsContact C-N 3.29Å; T38-E40 PolarHBondContact O-N 3.31Å
39	E	59	Low	62.8	Low	177 Å²	177	141.1 Å²	141.1	83%	0.827	75%	0.747	S	S	*	*			trans	-57.3	103.7	167	-75.2	-169	163.1	0	0	106	A37 V41	A37-E39 VanDerWaalsContact C-N 3.26Å; A37-E39 PolarHBondContact O-N 2.85Å; E39-V41 VanDerWaalsContact C-N 3.3Å; E39-V41 PolarHBondContact O-N 3.09Å
40	E	62	Low	65.1	Low	177 Å²	177	139.5 Å²	139.5	83%	0.827	74%	0.735	S	S	*	*			trans	-62.2	99.1	170.5	-75.9	-171.3	167.9	0	0	106.7	T38 K42	T38-E40 VanDerWaalsContact C-N 3.29Å; T38-E40 PolarHBondContact O-N 3.31Å; E40-K42 PolarHBondContact O-N 3.25Å
41	V	66.1	Low	67.8	Low	129 Å²	129	132.7 Å²	132.7	78%	0.782	70%	0.703	S	S	*	*			trans	-63.4	93	168.5	179.9	0	0	0	0	106.2	E39 S43	E39-V41 VanDerWaalsContact C-N 3.3Å; E39-V41 PolarHBondContact O-N 3.09Å; V41-S43 VanDerWaalsContact C-N 3.34Å; V41-S43 PolarHBondContact O-N 2.84Å
42	K	70.2	Confident	70.5	Confident	186 Å²	186	133.1 Å²	133.1	81%	0.809	70%	0.697	S	S	*	*			trans	-68.4	95.2	-177.9	-162.1	175.4	-168.8	171.2	0	108	E40	E40-K42 PolarHBondContact O-N 3.25Å
43	S	76.2	Confident	73.1	Confident	94 Å²	94	137.9 Å²	137.9	66%	0.657	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-56.6	131.2	175.2	-53.4	0	0	0	0	108.8	V41 K45	V41-S43 VanDerWaalsContact C-N 3.34Å; V41-S43 PolarHBondContact O-N 2.84Å; S43-K45 PolarHBondContact O-N 3.48Å
44	P	82.7	Confident	75.5	Confident	124 Å²	124	131.7 Å²	131.7	81%	0.805	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-57.7	133.1	178.4	22.7	-31.2	0	0	0	109.1
45	K	90.1	Very high	78.3	Confident	141 Å²	141	126.7 Å²	126.7	61%	0.613	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-64.8	138.3	175.2	-66.3	-173.2	176.8	-169.7	0	108.9	S43 Y47	S43-K45 PolarHBondContact O-N 3.48Å; K45-Y47 HydrophobicContact CB-CE1 4.43Å; K45-Y47 HydrophobicContact CD-CE1 4.29Å; K45-Y47 HydrophobicContact CD-CE2 4.37Å; K45-Y47 PolarHBondContact O-N 3.33Å
46	I	90.9	Very high	80.8	Confident	178 Å²	178	123.7 Å²	123.7	91%	0.913	64%	0.643	S	S	*	*	S	Bend	trans	-60.2	-35	178.1	-63	168	0	0	0	111.1
47	Y	91.6	Very high	83.4	Confident	145 Å²	145	116.4 Å²	116.4	57%	0.569	62%	0.623	S	S	*	*			trans	-99.2	132.3	179.2	63.7	-86.5	0	0	0	112.1	K45 K49	K45-Y47 HydrophobicContact CB-CE1 4.43Å; K45-Y47 HydrophobicContact CD-CE1 4.29Å; K45-Y47 HydrophobicContact CD-CE2 4.37Å; K45-Y47 PolarHBondContact O-N 3.33Å; Y47-K49 HydrophobicContact CD2-CG 4.4Å
48	T	93.3	Very high	85.6	Confident	97 Å²	97	112.8 Å²	112.8	60%	0.595	59%	0.592	S	S	*	*			trans	-111.5	-13.3	-179.6	63	0	0	0	0	113.8	T50	T48-T50 PolarHBondContact O-N 2.99Å; T48-T50 VanDerWaalsContact O-N 3.12Å; T48-T50 PolarHBondContact OG1-N 3.27Å; T48-T50 PolarHBondContact OG1-OG1 3.34Å; T48-T50 VanDerWaalsContact OG1-OG1 3.05Å
49	K	94.2	Very high	87.6	Confident	143 Å²	143	112.6 Å²	112.6	62%	0.622	58%	0.581	S	S	*	*	S	Bend	trans	62.4	3.4	-173.4	-55.9	-174.8	179	-173.4	0	115.4	Y47 G51 D52	Y47-K49 HydrophobicContact CD2-CG 4.4Å; K49-G51 PolarHBondContact O-N 3.32Å; K49-G51 VanDerWaalsContact O-N 3.16Å; K49-D52 WeakPolarHBondContact CA-OD1 3.29Å; K49-D52 WeakPolarHBondContact CB-OD2 3.38Å; K49-D52 PolarHBondContact O-N 2.6Å
50	T	93.8	Very high	89.3	Confident	91 Å²	91	105.4 Å²	105.4	56%	0.558	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-16.5	-179.4	60.4	0	0	0	0	113.1	T48 R63	T48-T50 PolarHBondContact O-N 2.99Å; T48-T50 VanDerWaalsContact O-N 3.12Å; T48-T50 PolarHBondContact OG1-N 3.27Å; T48-T50 PolarHBondContact OG1-OG1 3.34Å; T48-T50 VanDerWaalsContact OG1-OG1 3.05Å; T50-R63 PolarHBondContact O-NH2 3.1Å
51	G	94.6	Very high	90.8	Very high	14 Å²	14	99.5 Å²	99.5	14%	0.144	54%	0.535	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	8	178.6	0	0	0	0	0	115.8	K49 K53 G54 F55 K66	K49-G51 PolarHBondContact O-N 3.32Å; K49-G51 VanDerWaalsContact O-N 3.16Å; G51-K53 PolarHBondContact O-N 3.05Å; G51-G54 PolarHBondContact O-N 2.82Å; G51-G54 VanDerWaalsContact O-N 3.1Å; G51-F55 WeakPolarHBondContact CA-O 3.43Å; G51-K66 PolarHBondContact O-NZ 3.07Å
52	D	96.8	Very high	92.2	Very high	124 Å²	124	96.5 Å²	96.5	66%	0.663	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-24.5	-177.6	-70.2	4.9	0	0	0	112.4	K49 G54	K49-D52 WeakPolarHBondContact CA-OD1 3.29Å; K49-D52 WeakPolarHBondContact CB-OD2 3.38Å; K49-D52 PolarHBondContact O-N 2.6Å; D52-G54 VanDerWaalsContact C-N 3.25Å; D52-G54 PolarHBondContact O-N 3.21Å
53	K	96.6	Very high	93.5	Very high	189 Å²	189	93.7 Å²	93.7	82%	0.822	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	10.9	175.5	-62.7	-174	178.6	-177.2	0	113.9	G51 F55	G51-K53 PolarHBondContact O-N 3.05Å; K53-F55 HydrophobicContact CB-CD2 4.33Å; K53-F55 VanDerWaalsContact O-CD2 3.24Å; K53-F55 WeakPolarHBondContact O-CD2 3.26Å
54	G	96.7	Very high	94.5	Very high	26 Å²	26	90.3 Å²	90.3	27%	0.268	47%	0.47	S	S	.	.	S	Bend	trans	83.4	11.3	178.9	0	0	0	0	0	115.5	G51 D52 P65 K66	G51-G54 PolarHBondContact O-N 2.82Å; G51-G54 VanDerWaalsContact O-N 3.1Å; D52-G54 VanDerWaalsContact C-N 3.25Å; D52-G54 PolarHBondContact O-N 3.21Å; G54-P65 CarbonylContact O-C 3.6Å; G54-K66 WeakPolarHBondContact O-CB 3.1Å; G54-K66 WeakPolarHBondContact O-CG 3.19Å; G54-K66 PolarHBondContact O-N 3.37Å
55	F	97.9	Very high	95.2	Very high	99 Å²	99	86.5 Å²	86.5	43%	0.434	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	149.9	178.4	-68.1	-94.6	0	0	0	111.9	G51 K53 R63 R64 P65	G51-F55 WeakPolarHBondContact CA-O 3.43Å; K53-F55 HydrophobicContact CB-CD2 4.33Å; K53-F55 VanDerWaalsContact O-CD2 3.24Å; K53-F55 WeakPolarHBondContact O-CD2 3.26Å; F55-R63 PolarHBondContact O-NH2 3.42Å; F55-R64 CarbonylContact C-O 3.6Å; F55-R64 WeakPolarHBondContact CA-O 3.36Å; F55-P65 HydrophobicContact CD1-CB 4.36Å; F55-P65 HydrophobicContact CE1-CB 4.14Å
56	S	97.4	Very high	95.6	Very high	43 Å²	43	84.9 Å²	84.9	30%	0.301	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	175.1	170.3	-164.9	0	0	0	0	110.6	R63 R64	S56-R63 CarbonylContact O-C 3.57Å; S56-R63 VanDerWaalsContact O-CA 3.3Å; S56-R63 WeakPolarHBondContact O-CA 3.48Å; S56-R64 PolarHBondContact N-O 3.43Å; S56-R64 PolarHBondContact O-N 2.94Å
57	S	97.5	Very high	95.9	Very high	60 Å²	60	83.6 Å²	83.6	42%	0.42	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	136.4	177.1	-71.3	0	0	0	0	110.3	E62	S57-E62 CarbonylContact C-O 3.58Å; S57-E62 VanDerWaalsContact CA-O 3.31Å; S57-E62 WeakPolarHBondContact CA-O 3.17Å
58	T	97.1	Very high	96.2	Very high	8 Å²	8	78.2 Å²	78.2	5%	0.049	41%	0.409	C	S	.	.			trans	-72.1	172.7	164.9	69.4	0	0	0	0	109.6	T60 G61 E62 R64 I70 F71 A117 P119	T58-T60 PolarHBondContact O-N 3Å; T58-T60 PolarHBondContact OG1-N 2.85Å; T58-T60 PolarHBondContact OG1-OG1 2.91Å; T58-G61 PolarHBondContact O-N 3.09Å; T58-E62 HydrophobicContact CG2-CB 4.49Å; T58-E62 PolarHBondContact N-O 2.92Å; T58-E62 WeakPolarHBondContact OG1-CB 3.32Å; T58-E62 PolarHBondContact OG1-N 2.86Å; T58-E62 PolarHBondContact OG1-O 3.19Å; T58-R64 HydrophobicContact CG2-CG 4.38Å; T58-I70 HydrophobicContact CG2-CG2 4.47Å; T58-F71 HydrophobicContact CG2-CZ 4.37Å; T58-A117 WeakPolarHBondContact CB-O 3.46Å; T58-P119 HydrophobicContact CG2-CG 4.34Å
59	F	94.6	Very high	96.4	Very high	120 Å²	120	77.1 Å²	77.1	53%	0.526	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-16.8	177.9	-161.4	-138.5	0	0	0	113.2	G61 A117 T118 T131	F59-G61 VanDerWaalsContact C-N 3.25Å; F59-A117 HydrophobicContact CB-CB 4.07Å; F59-A117 VanDerWaalsContact CB-O 3.29Å; F59-A117 WeakPolarHBondContact CB-O 3.4Å; F59-A117 PolarHBondContact N-O 3.09Å; F59-T118 WeakPolarHBondContact CD1-OG1 3.33Å; F59-T131 HydrophobicContact CD1-CG2 3.72Å; F59-T131 HydrophobicContact CE1-CG2 3.7Å
60	T	94.8	Very high	96.6	Very high	26 Å²	26	70.3 Å²	70.3	16%	0.16	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-7.8	172.8	64.8	0	0	0	0	112.9	T58 E62 T118 S122 A123	T58-T60 PolarHBondContact O-N 3Å; T58-T60 PolarHBondContact OG1-N 2.85Å; T58-T60 PolarHBondContact OG1-OG1 2.91Å; T60-E62 VanDerWaalsContact C-N 3.33Å; T60-T118 HydrophobicContact CG2-CG2 3.89Å; T60-S122 PolarHBondContact OG1-OG 3.08Å; T60-A123 HydrophobicContact CG2-CB 3.96Å
61	G	94.6	Very high	96.9	Very high	52 Å²	52	67.4 Å²	67.4	54%	0.536	35%	0.347	S	S	.	.	S	Bend	trans	89.2	-5.1	-174.8	0	0	0	0	0	113.9	T58 F59 R63	T58-G61 PolarHBondContact O-N 3.09Å; F59-G61 VanDerWaalsContact C-N 3.25Å; G61-R63 PolarHBondContact O-N 3.32Å
62	E	95	Very high	97.1	Very high	66 Å²	66	72.1 Å²	72.1	31%	0.308	37%	0.366	S	S	.	.			trans	-63.2	129.2	176.6	-169.8	-169.7	161.6	0	0	110.6	S57 T58 T60 R64 S122	S57-E62 CarbonylContact C-O 3.58Å; S57-E62 VanDerWaalsContact CA-O 3.31Å; S57-E62 WeakPolarHBondContact CA-O 3.17Å; T58-E62 HydrophobicContact CG2-CB 4.49Å; T58-E62 PolarHBondContact N-O 2.92Å; T58-E62 WeakPolarHBondContact OG1-CB 3.32Å; T58-E62 PolarHBondContact OG1-N 2.86Å; T58-E62 PolarHBondContact OG1-O 3.19Å; T60-E62 VanDerWaalsContact C-N 3.33Å; E62-R64 VanDerWaalsContact CD-NH2 3.28Å; E62-R64 HydrophobicContact CG-CG 4.32Å; E62-R64 IonicContact OE1-CZ 3.19Å; E62-R64 VanDerWaalsContact OE1-CZ 3.24Å; E62-R64 IonicContact OE1-NE 2.7Å; E62-R64 PolarHBondContact OE1-NE 2.95Å; E62-R64 IonicContact OE1-NH2 2.8Å; E62-R64 PolarHBondContact OE1-NH2 2.88Å; E62-R64 IonicContact OE2-CZ 2.7Å; E62-R64 IonicContact OE2-NE 3.1Å; E62-R64 PolarHBondContact OE2-NE 2.93Å; E62-R64 IonicContact OE2-NH2 2.69Å; E62-R64 PolarHBondContact OE2-NH2 2.77Å; E62-S122 WeakPolarHBondContact OE2-CB 3.2Å; E62-S122 PolarHBondContact OE2-OG 3.17Å
63	R	96.9	Very high	97.1	Very high	127 Å²	127	66.2 Å²	66.2	48%	0.479	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.6	176.4	-68	-149.4	71.7	160.3	0.7	110.7	T50 F55 S56 G61	T50-R63 PolarHBondContact O-NH2 3.1Å; F55-R63 PolarHBondContact O-NH2 3.42Å; S56-R63 CarbonylContact O-C 3.57Å; S56-R63 VanDerWaalsContact O-CA 3.3Å; S56-R63 WeakPolarHBondContact O-CA 3.48Å; G61-R63 PolarHBondContact O-N 3.32Å
64	R	97.5	Very high	97.2	Very high	24 Å²	24	59.1 Å²	59.1	9%	0.091	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	152.8	179.5	-67.8	-173.2	-177.1	-159.3	2	110.7	F55 S56 T58 E62 D68 F71	F55-R64 CarbonylContact C-O 3.6Å; F55-R64 WeakPolarHBondContact CA-O 3.36Å; S56-R64 PolarHBondContact N-O 3.43Å; S56-R64 PolarHBondContact O-N 2.94Å; T58-R64 HydrophobicContact CG2-CG 4.38Å; E62-R64 VanDerWaalsContact CD-NH2 3.28Å; E62-R64 HydrophobicContact CG-CG 4.32Å; E62-R64 IonicContact OE1-CZ 3.19Å; E62-R64 VanDerWaalsContact OE1-CZ 3.24Å; E62-R64 IonicContact OE1-NE 2.7Å; E62-R64 PolarHBondContact OE1-NE 2.95Å; E62-R64 IonicContact OE1-NH2 2.8Å; E62-R64 PolarHBondContact OE1-NH2 2.88Å; E62-R64 IonicContact OE2-CZ 2.7Å; E62-R64 IonicContact OE2-NE 3.1Å; E62-R64 PolarHBondContact OE2-NE 2.93Å; E62-R64 IonicContact OE2-NH2 2.69Å; E62-R64 PolarHBondContact OE2-NH2 2.77Å; R64-D68 HydrophobicContact CB-CB 4.2Å; R64-D68 WeakPolarHBondContact CD-OD1 3.49Å; R64-D68 IonicContact NH1-OD1 3.4Å; R64-D68 PolarHBondContact NH1-OD1 3.5Å; R64-F71 HydrophobicContact CB-CE2 3.64Å; R64-F71 HydrophobicContact CB-CZ 4.28Å
65	P	98.1	Very high	97.3	Very high	43 Å²	43	59.7 Å²	59.7	28%	0.279	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	148.3	170.9	28.4	-34.5	0	0	0	110.1	G54 F55 E67 D68 F71	G54-P65 CarbonylContact O-C 3.6Å; F55-P65 HydrophobicContact CD1-CB 4.36Å; F55-P65 HydrophobicContact CE1-CB 4.14Å; P65-E67 HydrophobicContact CB-CG 4.32Å; P65-E67 PolarHBondContact O-N 3.46Å; P65-D68 HydrophobicContact CG-CB 4.4Å; P65-D68 WeakPolarHBondContact O-CB 3.27Å; P65-D68 PolarHBondContact O-N 3.04Å; P65-F71 WeakPolarHBondContact O-CD2 3.28Å; P65-F71 WeakPolarHBondContact O-CE2 3.48Å
66	K	98.1	Very high	97.4	Very high	107 Å²	107	55.8 Å²	55.8	47%	0.465	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-22.1	-175.1	-80.3	176.4	174.7	172.9	0	113.1	G51 G54 D68 F71	G51-K66 PolarHBondContact O-NZ 3.07Å; G54-K66 WeakPolarHBondContact O-CB 3.1Å; G54-K66 WeakPolarHBondContact O-CG 3.19Å; G54-K66 PolarHBondContact O-N 3.37Å; K66-D68 PolarHBondContact O-N 3.46Å; K66-F71 WeakPolarHBondContact O-CB 3.27Å
67	E	97.3	Very high	97.4	Very high	151 Å²	151	53.9 Å²	53.9	71%	0.706	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-1.6	171.7	65.4	-90.5	-160.5	0	0	113.9	P65	P65-E67 HydrophobicContact CB-CG 4.32Å; P65-E67 PolarHBondContact O-N 3.46Å
68	D	98.1	Very high	97.5	Very high	32 Å²	32	56 Å²	56	17%	0.171	29%	0.287	C	S	.	.	S	Bend	trans	-61.2	139.6	174.6	-173.4	-113.5	0	0	0	111.3	R64 P65 K66 I70 F71 E72	R64-D68 HydrophobicContact CB-CB 4.2Å; R64-D68 WeakPolarHBondContact CD-OD1 3.49Å; R64-D68 IonicContact NH1-OD1 3.4Å; R64-D68 PolarHBondContact NH1-OD1 3.5Å; P65-D68 HydrophobicContact CG-CB 4.4Å; P65-D68 WeakPolarHBondContact O-CB 3.27Å; P65-D68 PolarHBondContact O-N 3.04Å; K66-D68 PolarHBondContact O-N 3.46Å; D68-I70 PolarHBondContact O-N 3.43Å; D68-I70 WeakPolarHBondContact OD1-CB 3.42Å; D68-I70 VanDerWaalsContact OD1-CG1 3.27Å; D68-I70 WeakPolarHBondContact OD1-CG1 3.45Å; D68-I70 PolarHBondContact OD1-N 3.38Å; D68-F71 HydrophobicContact CB-CD2 4.08Å; D68-F71 PolarHBondContact O-N 3Å; D68-E72 PolarHBondContact O-N 3.19Å; D68-E72 VanDerWaalsContact O-N 3.12Å
69	H	97.8	Very high	97.6	Very high	74 Å²	74	59.8 Å²	59.8	34%	0.343	31%	0.305	S	S	.	.	H	α-helix	trans	-50.1	-31.3	179.6	63.4	-54.8	0	0	0	114.6	E72 A73	H69-E72 PolarHBondContact O-N 2.85Å; H69-A73 WeakPolarHBondContact O-CB 3.28Å; H69-A73 PolarHBondContact O-N 3.25Å
70	I	98.3	Very high	97.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.6	-47.1	173.1	-63	-60.6	0	0	0	110.9	T58 D68 A73 L74 I116 P119 I187	T58-I70 HydrophobicContact CG2-CG2 4.47Å; D68-I70 PolarHBondContact O-N 3.43Å; D68-I70 WeakPolarHBondContact OD1-CB 3.42Å; D68-I70 VanDerWaalsContact OD1-CG1 3.27Å; D68-I70 WeakPolarHBondContact OD1-CG1 3.45Å; D68-I70 PolarHBondContact OD1-N 3.38Å; I70-A73 PolarHBondContact O-N 3.42Å; I70-L74 HydrophobicContact CG2-CD1 4.04Å; I70-L74 VanDerWaalsContact O-CG 3.23Å; I70-L74 WeakPolarHBondContact O-CG 3.44Å; I70-L74 PolarHBondContact O-N 3.24Å; I70-I116 HydrophobicContact CG2-CG2 4.33Å; I70-P119 HydrophobicContact CD1-CG 3.97Å; I70-P119 HydrophobicContact CG1-CG 4.05Å; I70-I187 HydrophobicContact CD1-CD1 3.92Å; I70-I187 HydrophobicContact CD1-CG1 4.13Å; I70-I187 HydrophobicContact CD1-CG2 3.83Å
71	F	98.5	Very high	98	Very high	30 Å²	30	53.9 Å²	53.9	13%	0.132	28%	0.279	C	S	.	.	H	α-helix	trans	-74.5	-30.9	-179.6	-61.9	-59.9	0	0	0	112.8	T58 R64 P65 K66 D68 L74 G75	T58-F71 HydrophobicContact CG2-CZ 4.37Å; R64-F71 HydrophobicContact CB-CE2 3.64Å; R64-F71 HydrophobicContact CB-CZ 4.28Å; P65-F71 WeakPolarHBondContact O-CD2 3.28Å; P65-F71 WeakPolarHBondContact O-CE2 3.48Å; K66-F71 WeakPolarHBondContact O-CB 3.27Å; D68-F71 HydrophobicContact CB-CD2 4.08Å; D68-F71 PolarHBondContact O-N 3Å; F71-L74 HydrophobicContact CD1-CD1 3.91Å; F71-L74 HydrophobicContact CE1-CD1 4.4Å; F71-L74 PolarHBondContact O-N 2.92Å; F71-G75 PolarHBondContact O-N 2.69Å
72	E	98.6	Very high	98.2	Very high	114 Å²	114	54.9 Å²	54.9	53%	0.533	28%	0.278	S	S	.	.	H	α-helix	trans	-60.3	-47.3	170.2	-175.9	-179.3	175.9	0	0	110.8	D68 H69 G75 N76	D68-E72 PolarHBondContact O-N 3.19Å; D68-E72 VanDerWaalsContact O-N 3.12Å; H69-E72 PolarHBondContact O-N 2.85Å; E72-G75 PolarHBondContact O-N 3.42Å; E72-N76 WeakPolarHBondContact O-CB 3.32Å; E72-N76 VanDerWaalsContact O-CG 3.23Å; E72-N76 PolarHBondContact O-N 3.46Å; E72-N76 PolarHBondContact O-ND2 3.18Å
73	A	98.7	Very high	98.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-43.7	176.3	0	0	0	0	0	112.2	H69 I70 N76 T77 I116 V184 I187	H69-A73 WeakPolarHBondContact O-CB 3.28Å; H69-A73 PolarHBondContact O-N 3.25Å; I70-A73 PolarHBondContact O-N 3.42Å; A73-N76 PolarHBondContact O-N 3.46Å; A73-T77 WeakPolarHBondContact O-CB 3.47Å; A73-T77 PolarHBondContact O-N 3.49Å; A73-T77 PolarHBondContact O-OG1 2.8Å; A73-T77 VanDerWaalsContact O-OG1 3.09Å; A73-I116 HydrophobicContact CB-CG2 3.85Å; A73-V184 HydrophobicContact CB-CG2 3.91Å; A73-I187 HydrophobicContact CB-CD1 3.39Å
74	L	98.6	Very high	98.5	Very high	40 Å²	40	46.5 Å²	46.5	21%	0.209	25%	0.247	C	C	.	.	H	α-helix	trans	-60.2	-45.9	175.6	-70.3	171.2	0	0	0	112.4	I70 F71 T77 D78 G113 I116 A117	I70-L74 HydrophobicContact CG2-CD1 4.04Å; I70-L74 VanDerWaalsContact O-CG 3.23Å; I70-L74 WeakPolarHBondContact O-CG 3.44Å; I70-L74 PolarHBondContact O-N 3.24Å; F71-L74 HydrophobicContact CD1-CD1 3.91Å; F71-L74 HydrophobicContact CE1-CD1 4.4Å; F71-L74 PolarHBondContact O-N 2.92Å; L74-T77 PolarHBondContact O-N 2.93Å; L74-D78 WeakPolarHBondContact O-CB 3.5Å; L74-D78 PolarHBondContact O-N 3.28Å; L74-G113 WeakPolarHBondContact CD2-O 3.29Å; L74-I116 HydrophobicContact CD2-CB 3.95Å; L74-I116 HydrophobicContact CD2-CG2 3.94Å; L74-I116 HydrophobicContact CG-CG2 3.96Å; L74-A117 HydrophobicContact CD1-CB 3.96Å; L74-A117 HydrophobicContact CD2-CB 3.98Å
75	G	98.6	Very high	98.6	Very high	37 Å²	37	46.1 Å²	46.1	38%	0.381	25%	0.251	S	S	.	.	H	α-helix	trans	-63.6	-42.7	178.4	0	0	0	0	0	112.3	F71 E72 T77 D78 E79	F71-G75 PolarHBondContact O-N 2.69Å; E72-G75 PolarHBondContact O-N 3.42Å; G75-T77 VanDerWaalsContact C-N 3.34Å; G75-T77 PolarHBondContact O-N 3.26Å; G75-D78 PolarHBondContact O-N 3.47Å; G75-E79 WeakPolarHBondContact O-CB 3.02Å; G75-E79 PolarHBondContact O-N 2.92Å
76	N	98.9	Very high	98.6	Very high	17 Å²	17	48.6 Å²	48.6	9%	0.091	26%	0.261	C	S	.	.	H	α-helix	trans	-65.9	-35.6	176.6	-69	-25.1	0	0	0	112.3	E72 A73 L80 R179 A180 S183	E72-N76 WeakPolarHBondContact O-CB 3.32Å; E72-N76 VanDerWaalsContact O-CG 3.23Å; E72-N76 PolarHBondContact O-N 3.46Å; E72-N76 PolarHBondContact O-ND2 3.18Å; A73-N76 PolarHBondContact O-N 3.46Å; N76-L80 WeakPolarHBondContact O-CB 3.37Å; N76-L80 PolarHBondContact O-N 2.86Å; N76-R179 PolarHBondContact OD1-NH1 3.3Å; N76-A180 HydrophobicContact CB-CB 4.03Å; N76-S183 VanDerWaalsContact ND2-CB 3.27Å; N76-S183 WeakPolarHBondContact ND2-CB 3.38Å; N76-S183 PolarHBondContact ND2-OG 3.45Å
77	T	98.8	Very high	98.6	Very high	4 Å²	4	43.5 Å²	43.5	3%	0.025	24%	0.239	C	C	.	.	H	α-helix	trans	-68.5	-40.2	174.3	-65.3	0	0	0	0	111.9	A73 L74 G75 L80 S81 L109 V112	A73-T77 WeakPolarHBondContact O-CB 3.47Å; A73-T77 PolarHBondContact O-N 3.49Å; A73-T77 PolarHBondContact O-OG1 2.8Å; A73-T77 VanDerWaalsContact O-OG1 3.09Å; L74-T77 PolarHBondContact O-N 2.93Å; G75-T77 VanDerWaalsContact C-N 3.34Å; G75-T77 PolarHBondContact O-N 3.26Å; T77-L80 WeakPolarHBondContact O-CB 3.43Å; T77-L80 PolarHBondContact O-N 3.4Å; T77-S81 PolarHBondContact O-N 3.3Å; T77-L109 HydrophobicContact CG2-CB 4.27Å; T77-L109 HydrophobicContact CG2-CD2 4.17Å; T77-V112 HydrophobicContact CG2-CB 4.48Å; T77-V112 HydrophobicContact CG2-CG1 3.99Å
78	D	98.9	Very high	98.7	Very high	103 Å²	103	38.5 Å²	38.5	55%	0.551	21%	0.214	S	C	*	.	H	α-helix	trans	-66	-41.3	175.6	-175.6	43.3	0	0	0	111.9	L74 G75 L80 S81 S82	L74-D78 WeakPolarHBondContact O-CB 3.5Å; L74-D78 PolarHBondContact O-N 3.28Å; G75-D78 PolarHBondContact O-N 3.47Å; D78-L80 VanDerWaalsContact C-N 3.31Å; D78-L80 PolarHBondContact O-N 2.99Å; D78-S81 PolarHBondContact O-N 2.77Å; D78-S82 PolarHBondContact O-N 2.88Å; D78-S82 PolarHBondContact O-OG 2.87Å; D78-S82 VanDerWaalsContact O-OG 3.05Å
79	E	98.9	Very high	98.7	Very high	89 Å²	89	42 Å²	42	42%	0.416	23%	0.229	S	C	.	.	H	α-helix	trans	-63.9	-37.3	174.3	-165.9	-174.9	157.6	0	0	111.9	G75 S82 A83 V176 R179	G75-E79 WeakPolarHBondContact O-CB 3.02Å; G75-E79 PolarHBondContact O-N 2.92Å; E79-S82 PolarHBondContact O-N 2.93Å; E79-A83 WeakPolarHBondContact O-CB 3.46Å; E79-A83 PolarHBondContact O-N 3.18Å; E79-V176 HydrophobicContact CB-CG1 4.33Å; E79-V176 HydrophobicContact CG-CG1 4.24Å; E79-R179 IonicContact OE1-CZ 3.79Å; E79-R179 IonicContact OE1-NH2 2.71Å; E79-R179 PolarHBondContact OE1-NH2 3.12Å; E79-R179 IonicContact OE2-CZ 3.77Å; E79-R179 IonicContact OE2-NH1 3.85Å; E79-R179 PolarHBondContact OE2-NH1 2.89Å; E79-R179 IonicContact OE2-NH2 3.16Å; E79-R179 PolarHBondContact OE2-NH2 2.85Å
80	L	98.9	Very high	98.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.7	-48.5	171.5	172	60	0	0	0	111.4	N76 T77 D78 S82 A83 I84 L109 A173 V176 C177 A180 L201 L204 L208	N76-L80 WeakPolarHBondContact O-CB 3.37Å; N76-L80 PolarHBondContact O-N 2.86Å; T77-L80 WeakPolarHBondContact O-CB 3.43Å; T77-L80 PolarHBondContact O-N 3.4Å; D78-L80 VanDerWaalsContact C-N 3.31Å; D78-L80 PolarHBondContact O-N 2.99Å; L80-S82 VanDerWaalsContact C-N 3.27Å; L80-S82 PolarHBondContact O-N 3.48Å; L80-A83 PolarHBondContact O-N 3.39Å; L80-I84 HydrophobicContact CD1-CD1 3.86Å; L80-I84 HydrophobicContact CD1-CG1 4.05Å; L80-I84 HydrophobicContact CG-CD1 4.03Å; L80-I84 WeakPolarHBondContact O-CG1 3.41Å; L80-I84 PolarHBondContact O-N 3.36Å; L80-L109 HydrophobicContact CD2-CD1 3.91Å; L80-L109 HydrophobicContact CD2-CD2 3.77Å; L80-L109 HydrophobicContact CG-CD1 3.82Å; L80-A173 WeakPolarHBondContact CD1-O 3.33Å; L80-V176 HydrophobicContact CB-CG1 3.94Å; L80-V176 HydrophobicContact CD1-CB 4.44Å; L80-C177 HydrophobicContact CD1-CB 3.6Å; L80-C177 HydrophobicContact CD2-CB 3.9Å; L80-C177 HydrophobicContact CG-CB 4.37Å; L80-A180 HydrophobicContact CD2-CB 4.49Å; L80-L201 HydrophobicContact CD2-CD2 3.96Å; L80-L204 HydrophobicContact CD2-CD2 3.98Å; L80-L208 HydrophobicContact CD1-CD1 4.35Å
81	S	98.9	Very high	98.8	Very high	22 Å²	22	41.1 Å²	41.1	15%	0.154	22%	0.224	C	C	.	.	H	α-helix	trans	-58.4	-42.5	177.9	-173.1	0	0	0	0	111.2	T77 D78 I84 G85 Q106	T77-S81 PolarHBondContact O-N 3.3Å; D78-S81 PolarHBondContact O-N 2.77Å; S81-I84 PolarHBondContact O-N 3.42Å; S81-G85 PolarHBondContact O-N 2.86Å; S81-Q106 PolarHBondContact O-NE2 2.71Å; S81-Q106 VanDerWaalsContact O-NE2 3.09Å
82	S	98.9	Very high	98.8	Very high	73 Å²	73	43 Å²	43	51%	0.51	24%	0.235	S	C	.	.	H	α-helix	trans	-63.3	-42.8	175.9	-62.2	0	0	0	0	112.7	D78 E79 L80 G85 L86	D78-S82 PolarHBondContact O-N 2.88Å; D78-S82 PolarHBondContact O-OG 2.87Å; D78-S82 VanDerWaalsContact O-OG 3.05Å; E79-S82 PolarHBondContact O-N 2.93Å; L80-S82 VanDerWaalsContact C-N 3.27Å; L80-S82 PolarHBondContact O-N 3.48Å; S82-G85 PolarHBondContact O-N 3.29Å; S82-L86 PolarHBondContact O-N 3.18Å
83	A	98.9	Very high	98.7	Very high	16 Å²	16	43.9 Å²	43.9	13%	0.132	24%	0.244	C	C	.	.	H	α-helix	trans	-65.2	-37.8	176.3	0	0	0	0	0	112.2	E79 L80 L86 A87 A173 V176	E79-A83 WeakPolarHBondContact O-CB 3.46Å; E79-A83 PolarHBondContact O-N 3.18Å; L80-A83 PolarHBondContact O-N 3.39Å; A83-L86 PolarHBondContact O-N 3.38Å; A83-A87 WeakPolarHBondContact O-CB 3.26Å; A83-A87 PolarHBondContact O-N 3.29Å; A83-A173 HydrophobicContact CB-CB 4.16Å; A83-V176 HydrophobicContact CB-CG2 4.38Å
84	I	98.9	Very high	98.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.3	-42.8	173.3	-70.6	173.6	0	0	0	110.6	L80 S81 L86 A87 R88 L102 I105 Q106 L109 A173 L204 L208	L80-I84 HydrophobicContact CD1-CD1 3.86Å; L80-I84 HydrophobicContact CD1-CG1 4.05Å; L80-I84 HydrophobicContact CG-CD1 4.03Å; L80-I84 WeakPolarHBondContact O-CG1 3.41Å; L80-I84 PolarHBondContact O-N 3.36Å; S81-I84 PolarHBondContact O-N 3.42Å; I84-L86 VanDerWaalsContact C-N 3.34Å; I84-L86 PolarHBondContact O-N 3.39Å; I84-A87 PolarHBondContact O-N 3.05Å; I84-R88 WeakPolarHBondContact O-CB 3.23Å; I84-R88 PolarHBondContact O-N 3.38Å; I84-L102 HydrophobicContact CG2-CB 4.02Å; I84-L102 HydrophobicContact CG2-CD2 4.22Å; I84-I105 HydrophobicContact CD1-CG2 3.71Å; I84-Q106 HydrophobicContact CB-CG 4.26Å; I84-Q106 HydrophobicContact CG2-CG 3.77Å; I84-L109 HydrophobicContact CD1-CD1 3.78Å; I84-A173 HydrophobicContact CG1-CB 4.05Å; I84-L204 HydrophobicContact CD1-CD2 4.4Å; I84-L208 HydrophobicContact CD1-CD1 4.47Å; I84-L208 HydrophobicContact CD1-CD2 4.49Å; I84-L208 HydrophobicContact CG1-CD2 4.31Å
85	G	98.8	Very high	98.6	Very high	16 Å²	16	50.8 Å²	50.8	17%	0.165	29%	0.289	C	S	.	.	H	α-helix	trans	-56.5	-46.8	175	0	0	0	0	0	112.2	S81 S82 A87 R88 E89	S81-G85 PolarHBondContact O-N 2.86Å; S82-G85 PolarHBondContact O-N 3.29Å; G85-A87 PolarHBondContact O-N 3.2Å; G85-R88 WeakPolarHBondContact O-CB 3.27Å; G85-R88 PolarHBondContact O-N 2.91Å; G85-E89 PolarHBondContact O-N 2.95Å
86	L	98.9	Very high	98.6	Very high	95 Å²	95	49.6 Å²	49.6	50%	0.497	27%	0.274	S	S	.	.	H	α-helix	trans	-62.3	-44.2	175.1	177.9	62.3	0	0	0	112.5	S82 A83 I84 R88 E89 F90	S82-L86 PolarHBondContact O-N 3.18Å; A83-L86 PolarHBondContact O-N 3.38Å; I84-L86 VanDerWaalsContact C-N 3.34Å; I84-L86 PolarHBondContact O-N 3.39Å; L86-R88 VanDerWaalsContact C-N 3.27Å; L86-R88 PolarHBondContact O-N 2.83Å; L86-E89 PolarHBondContact O-N 2.76Å; L86-F90 HydrophobicContact CD1-CE2 3.85Å; L86-F90 HydrophobicContact CD1-CZ 4.33Å; L86-F90 HydrophobicContact CG-CE2 3.98Å; L86-F90 WeakPolarHBondContact O-CD2 3.37Å
87	A	98.8	Very high	98.3	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62	-38.2	177	0	0	0	0	0	111.6	A83 I84 G85 E89 F90 C91 A169 L170	A83-A87 WeakPolarHBondContact O-CB 3.26Å; A83-A87 PolarHBondContact O-N 3.29Å; I84-A87 PolarHBondContact O-N 3.05Å; G85-A87 PolarHBondContact O-N 3.2Å; A87-E89 PolarHBondContact O-N 3.09Å; A87-F90 PolarHBondContact O-N 3.32Å; A87-C91 PolarHBondContact O-N 3.49Å; A87-C91 PolarHBondContact O-SG 3.28Å; A87-A169 HydrophobicContact CB-CB 3.83Å; A87-L170 HydrophobicContact CB-CD2 3.9Å; A87-L170 HydrophobicContact CB-CG 4.14Å
88	R	98.8	Very high	98.3	Very high	46 Å²	46	53.8 Å²	53.8	17%	0.174	30%	0.3	C	S	.	.	H	α-helix	trans	-62	-40.8	178.4	-175.2	177.5	177.4	-88	0.8	112.3	I84 G85 L86 F90 C91 L92 T99 L102	I84-R88 WeakPolarHBondContact O-CB 3.23Å; I84-R88 PolarHBondContact O-N 3.38Å; G85-R88 WeakPolarHBondContact O-CB 3.27Å; G85-R88 PolarHBondContact O-N 2.91Å; L86-R88 VanDerWaalsContact C-N 3.27Å; L86-R88 PolarHBondContact O-N 2.83Å; R88-F90 PolarHBondContact O-N 2.9Å; R88-C91 CarbonylContact O-C 3.59Å; R88-C91 WeakPolarHBondContact O-CB 3.34Å; R88-C91 PolarHBondContact O-N 2.89Å; R88-C91 VanDerWaalsContact O-N 3.1Å; R88-L92 HydrophobicContact CG-CD1 4.36Å; R88-L92 HydrophobicContact CG-CG 4.45Å; R88-L92 WeakPolarHBondContact O-CG 3.47Å; R88-L92 PolarHBondContact O-N 2.86Å; R88-T99 HydrophobicContact CG-CG2 4.39Å; R88-T99 PolarHBondContact NE-O 2.9Å; R88-L102 HydrophobicContact CB-CB 4.29Å; R88-L102 HydrophobicContact CB-CD1 3.92Å; R88-L102 HydrophobicContact CG-CB 4.22Å; R88-L102 HydrophobicContact CG-CD1 4.24Å
89	E	98.8	Very high	98.3	Very high	105 Å²	105	49.4 Å²	49.4	49%	0.491	28%	0.277	S	S	.	.	H	α-helix	trans	-59.9	-45.8	176.3	-66.8	-56.4	122.8	0	0	111.9	G85 L86 A87 C91 L92 D93	G85-E89 PolarHBondContact O-N 2.95Å; L86-E89 PolarHBondContact O-N 2.76Å; A87-E89 PolarHBondContact O-N 3.09Å; E89-C91 VanDerWaalsContact C-N 3.26Å; E89-C91 PolarHBondContact O-N 2.91Å; E89-L92 PolarHBondContact O-N 3.28Å; E89-D93 PolarHBondContact O-N 3.16Å; E89-D93 VanDerWaalsContact O-N 3.09Å
90	F	98.7	Very high	98.2	Very high	57 Å²	57	50.6 Å²	50.6	25%	0.25	29%	0.287	C	S	.	.	H	α-helix	trans	-62.1	-36.3	174.2	-68	-56.6	0	0	0	112.3	L86 A87 R88 K94 K165 S166 A169	L86-F90 HydrophobicContact CD1-CE2 3.85Å; L86-F90 HydrophobicContact CD1-CZ 4.33Å; L86-F90 HydrophobicContact CG-CE2 3.98Å; L86-F90 WeakPolarHBondContact O-CD2 3.37Å; A87-F90 PolarHBondContact O-N 3.32Å; R88-F90 PolarHBondContact O-N 2.9Å; F90-K94 WeakPolarHBondContact O-CG 3.28Å; F90-K165 HydrophobicContact CD1-CB 3.91Å; F90-K165 HydrophobicContact CD1-CD 4.02Å; F90-K165 HydrophobicContact CE1-CB 4.26Å; F90-K165 HydrophobicContact CE1-CD 3.81Å; F90-K165 HydrophobicContact CG-CB 4.11Å; F90-S166 PolarHBondContact O-OG 3.4Å; F90-A169 HydrophobicContact CD2-CB 3.78Å; F90-A169 HydrophobicContact CE2-CB 4.24Å
91	C	98.6	Very high	98.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-70.1	-35.8	178.4	-68.2	0	0	0	0	112.8	A87 R88 E89 K94 G95 H96 F98 T99	A87-C91 PolarHBondContact O-N 3.49Å; A87-C91 PolarHBondContact O-SG 3.28Å; R88-C91 CarbonylContact O-C 3.59Å; R88-C91 WeakPolarHBondContact O-CB 3.34Å; R88-C91 PolarHBondContact O-N 2.89Å; R88-C91 VanDerWaalsContact O-N 3.1Å; E89-C91 VanDerWaalsContact C-N 3.26Å; E89-C91 PolarHBondContact O-N 2.91Å; C91-K94 CarbonylContact O-C 3.6Å; C91-K94 PolarHBondContact O-N 3.49Å; C91-G95 PolarHBondContact O-N 3.19Å; C91-H96 HydrophobicContact CB-CB 4.22Å; C91-H96 PolarHBondContact O-CD2 2.89Å; C91-H96 PolarHBondContact O-N 3.43Å; C91-H96 VanDerWaalsContact O-N 3.09Å; C91-F98 HydrophobicContact CB-CE2 4.18Å; C91-F98 HydrophobicContact CB-CZ 4.32Å; C91-T99 HydrophobicContact CB-CG2 3.53Å
92	L	98.3	Very high	98.2	Very high	69 Å²	69	51.2 Å²	51.2	36%	0.361	29%	0.287	S	S	.	.	H	α-helix	trans	-65.5	-45.3	175.8	-79.2	171.8	0	0	0	111.6	R88 E89 K94 G95 T99	R88-L92 HydrophobicContact CG-CD1 4.36Å; R88-L92 HydrophobicContact CG-CG 4.45Å; R88-L92 WeakPolarHBondContact O-CG 3.47Å; R88-L92 PolarHBondContact O-N 2.86Å; E89-L92 PolarHBondContact O-N 3.28Å; L92-K94 PolarHBondContact O-N 3.16Å; L92-G95 PolarHBondContact O-N 3.38Å; L92-T99 HydrophobicContact CD2-CG2 3.88Å; L92-T99 HydrophobicContact CG-CG2 3.88Å
93	D	98.1	Very high	98.2	Very high	133 Å²	133	51.3 Å²	51.3	71%	0.711	28%	0.282	S	S	*	.	H	α-helix	trans	-54.8	-24	175	-79.7	-10.2	0	0	0	112.8	E89	E89-D93 PolarHBondContact O-N 3.16Å; E89-D93 VanDerWaalsContact O-N 3.09Å
94	K	97.8	Very high	98.2	Very high	122 Å²	122	54.7 Å²	54.7	53%	0.53	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-3.4	-179	-63.3	-66.4	-174.7	-169.5	0	114	F90 C91 L92 E219	F90-K94 WeakPolarHBondContact O-CG 3.28Å; C91-K94 CarbonylContact O-C 3.6Å; C91-K94 PolarHBondContact O-N 3.49Å; L92-K94 PolarHBondContact O-N 3.16Å; K94-E219 HydrophobicContact CB-CG 4.31Å; K94-E219 HydrophobicContact CD-CG 4.15Å; K94-E219 VanDerWaalsContact CE-OE2 3.29Å; K94-E219 WeakPolarHBondContact CE-OE2 3.41Å; K94-E219 HydrophobicContact CG-CG 4.2Å; K94-E219 WeakPolarHBondContact CG-OE1 3.49Å
95	G	97.3	Very high	98.2	Very high	62 Å²	62	54.7 Å²	54.7	64%	0.639	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	28.9	178.3	0	0	0	0	0	114	C91 L92	C91-G95 PolarHBondContact O-N 3.19Å; L92-G95 PolarHBondContact O-N 3.38Å
96	H	97.7	Very high	98.2	Very high	13 Å²	13	56.1 Å²	56.1	6%	0.06	30%	0.296	C	S	.	.			trans	-71	133.6	177.2	-71.1	-68.9	0	0	0	111.8	C91 F98 T99 E219	C91-H96 HydrophobicContact CB-CB 4.22Å; C91-H96 PolarHBondContact O-CD2 2.89Å; C91-H96 PolarHBondContact O-N 3.43Å; C91-H96 VanDerWaalsContact O-N 3.09Å; H96-F98 VanDerWaalsContact C-N 3.33Å; H96-F98 HydrophobicContact CB-CD1 3.87Å; H96-F98 HydrophobicContact CB-CE1 3.42Å; H96-F98 VanDerWaalsContact CB-CE1 3.42Å; H96-F98 HydrophobicContact CB-CE2 4.4Å; H96-F98 HydrophobicContact CB-CZ 3.72Å; H96-F98 AromaticContact CG-CE1 3.5Å; H96-F98 AromaticContact CG-CZ 3.76Å; H96-F98 AromaticContact ND1-CE1 3.58Å; H96-F98 PolarHBondContact O-N 2.96Å; H96-T99 HydrophobicContact CB-CG2 4.41Å; H96-T99 VanDerWaalsContact O-CG2 3.29Å; H96-T99 WeakPolarHBondContact O-CG2 3.24Å; H96-T99 PolarHBondContact O-OG1 3.31Å; H96-E219 IonicContact CD2-OE1 3.49Å; H96-E219 IonicContact CE1-OE1 3.24Å; H96-E219 IonicContact NE2-OE1 2.93Å; H96-E219 PolarHBondContact NE2-OE1 2.94Å
97	T	93.8	Very high	98.2	Very high	108 Å²	108	55.1 Å²	55.1	66%	0.663	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-21.9	-176.3	53.2	0	0	0	0	114	T99	T97-T99 PolarHBondContact O-N 3.34Å
98	F	97.8	Very high	98.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	3	-179.6	62.6	-99.9	0	0	0	113.9	C91 H96 D100 Q101 L102 F148 L170 V211 Y214 A215	C91-F98 HydrophobicContact CB-CE2 4.18Å; C91-F98 HydrophobicContact CB-CZ 4.32Å; H96-F98 VanDerWaalsContact C-N 3.33Å; H96-F98 HydrophobicContact CB-CD1 3.87Å; H96-F98 HydrophobicContact CB-CE1 3.42Å; H96-F98 VanDerWaalsContact CB-CE1 3.42Å; H96-F98 HydrophobicContact CB-CE2 4.4Å; H96-F98 HydrophobicContact CB-CZ 3.72Å; H96-F98 AromaticContact CG-CE1 3.5Å; H96-F98 AromaticContact CG-CZ 3.76Å; H96-F98 AromaticContact ND1-CE1 3.58Å; H96-F98 PolarHBondContact O-N 2.96Å; F98-D100 VanDerWaalsContact C-N 3.26Å; F98-D100 PolarHBondContact O-N 3.06Å; F98-Q101 VanDerWaalsContact O-CB 3.31Å; F98-Q101 WeakPolarHBondContact O-CB 3.49Å; F98-Q101 PolarHBondContact O-N 3Å; F98-L102 HydrophobicContact CD2-CD1 4.08Å; F98-L102 HydrophobicContact CD2-CG 4.16Å; F98-L102 HydrophobicContact CE2-CD1 4Å; F98-L102 PolarHBondContact O-N 3.27Å; F98-F148 HydrophobicContact CB-CE1 4.41Å; F98-F148 HydrophobicContact CB-CE2 4.24Å; F98-F148 HydrophobicContact CB-CZ 3.65Å; F98-F148 HydrophobicContact CD1-CZ 4.47Å; F98-F148 HydrophobicContact CG-CZ 4.43Å; F98-L170 HydrophobicContact CE2-CD1 4.11Å; F98-L170 HydrophobicContact CZ-CD1 4.12Å; F98-V211 HydrophobicContact CD2-CB 4.24Å; F98-V211 HydrophobicContact CD2-CG1 4.34Å; F98-V211 HydrophobicContact CE2-CB 4.13Å; F98-V211 HydrophobicContact CE2-CG2 4.4Å; F98-V211 HydrophobicContact CG-CG1 4.3Å; F98-V211 HydrophobicContact CZ-CB 4.31Å; F98-Y214 AromaticContact CD1-CD1 3.93Å; F98-Y214 HydrophobicContact CD1-CD1 3.93Å; F98-Y214 HydrophobicContact CD1-CE1 4.15Å; F98-Y214 AromaticContact CE1-CD1 3.76Å; F98-Y214 HydrophobicContact CE1-CD1 3.76Å; F98-Y214 HydrophobicContact CE1-CE1 4.28Å; F98-A215 HydrophobicContact CZ-CB 4.15Å
99	T	98.3	Very high	98.2	Very high	11 Å²	11	53.7 Å²	53.7	7%	0.067	29%	0.292	C	S	.	.	H	α-helix	trans	-63.4	-29.3	-179.7	46.8	0	0	0	0	113.3	R88 C91 L92 H96 T97 Q101 L102 D103	R88-T99 HydrophobicContact CG-CG2 4.39Å; R88-T99 PolarHBondContact NE-O 2.9Å; C91-T99 HydrophobicContact CB-CG2 3.53Å; L92-T99 HydrophobicContact CD2-CG2 3.88Å; L92-T99 HydrophobicContact CG-CG2 3.88Å; H96-T99 HydrophobicContact CB-CG2 4.41Å; H96-T99 VanDerWaalsContact O-CG2 3.29Å; H96-T99 WeakPolarHBondContact O-CG2 3.24Å; H96-T99 PolarHBondContact O-OG1 3.31Å; T97-T99 PolarHBondContact O-N 3.34Å; T99-Q101 VanDerWaalsContact C-N 3.35Å; T99-L102 PolarHBondContact O-N 3.13Å; T99-D103 PolarHBondContact O-N 3.1Å
100	D	98.1	Very high	98.1	Very high	115 Å²	115	55 Å²	55	62%	0.615	30%	0.298	S	S	*	.	H	α-helix	trans	-70.6	-31.4	172.3	-67.9	-19.9	0	0	0	112.3	F98 D103 K104	F98-D100 VanDerWaalsContact C-N 3.26Å; F98-D100 PolarHBondContact O-N 3.06Å; D100-D103 PolarHBondContact O-N 2.88Å; D100-K104 PolarHBondContact O-N 3.13Å
101	Q	98.8	Very high	98.1	Very high	34 Å²	34	56.8 Å²	56.8	16%	0.159	31%	0.31	C	S	.	.	H	α-helix	trans	-68.1	-39.3	173.9	-60.9	172	-13.1	0	0	110.6	F98 T99 K104 I105 W144 F148 Y207	F98-Q101 VanDerWaalsContact O-CB 3.31Å; F98-Q101 WeakPolarHBondContact O-CB 3.49Å; F98-Q101 PolarHBondContact O-N 3Å; T99-Q101 VanDerWaalsContact C-N 3.35Å; Q101-K104 PolarHBondContact O-N 3.33Å; Q101-I105 WeakPolarHBondContact O-CB 3.31Å; Q101-I105 WeakPolarHBondContact O-CD1 3.37Å; Q101-I105 VanDerWaalsContact O-CG1 3.24Å; Q101-I105 WeakPolarHBondContact O-CG1 3.27Å; Q101-I105 PolarHBondContact O-N 3.01Å; Q101-W144 HydrophobicContact CB-CE3 4.16Å; Q101-W144 HydrophobicContact CB-CH2 4.18Å; Q101-W144 HydrophobicContact CB-CZ3 3.97Å; Q101-W144 HydrophobicContact CG-CD2 4.11Å; Q101-W144 HydrophobicContact CG-CE3 4.21Å; Q101-W144 HydrophobicContact CG-CH2 4.21Å; Q101-W144 HydrophobicContact CG-CZ2 4.09Å; Q101-W144 HydrophobicContact CG-CZ3 4.26Å; Q101-F148 VanDerWaalsContact OE1-CE2 3.3Å; Q101-Y207 VanDerWaalsContact CB-OH 3.28Å; Q101-Y207 WeakPolarHBondContact CB-OH 3.28Å; Q101-Y207 PolarHBondContact OE1-OH 2.98Å
102	L	98.8	Very high	98.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.3	-41.1	174.8	-63	-179.4	0	0	0	112.1	I84 R88 F98 T99 I105 Q106 L170 Y207 L208	I84-L102 HydrophobicContact CG2-CB 4.02Å; I84-L102 HydrophobicContact CG2-CD2 4.22Å; R88-L102 HydrophobicContact CB-CB 4.29Å; R88-L102 HydrophobicContact CB-CD1 3.92Å; R88-L102 HydrophobicContact CG-CB 4.22Å; R88-L102 HydrophobicContact CG-CD1 4.24Å; F98-L102 HydrophobicContact CD2-CD1 4.08Å; F98-L102 HydrophobicContact CD2-CG 4.16Å; F98-L102 HydrophobicContact CE2-CD1 4Å; F98-L102 PolarHBondContact O-N 3.27Å; T99-L102 PolarHBondContact O-N 3.13Å; L102-I105 HydrophobicContact CD2-CD1 4.47Å; L102-I105 WeakPolarHBondContact O-CB 3.48Å; L102-I105 PolarHBondContact O-N 3.44Å; L102-Q106 PolarHBondContact O-N 3.17Å; L102-L170 HydrophobicContact CD1-CD2 4.21Å; L102-L170 HydrophobicContact CD2-CD2 4.29Å; L102-Y207 HydrophobicContact CD2-CE1 3.91Å; L102-L208 HydrophobicContact CD2-CD2 4.35Å
103	D	98.4	Very high	98.1	Very high	75 Å²	75	54 Å²	54	40%	0.401	30%	0.298	S	S	.	.	H	α-helix	trans	-62.6	-46.8	174.5	-177	55.6	0	0	0	111.8	T99 D100 I105 Q106 C107	T99-D103 PolarHBondContact O-N 3.1Å; D100-D103 PolarHBondContact O-N 2.88Å; D103-I105 VanDerWaalsContact C-N 3.27Å; D103-I105 PolarHBondContact O-N 2.68Å; D103-Q106 PolarHBondContact O-N 3.03Å; D103-Q106 VanDerWaalsContact O-N 3.1Å; D103-C107 PolarHBondContact O-N 3.31Å; D103-C107 VanDerWaalsContact O-N 3.13Å
104	K	98.6	Very high	98.1	Very high	88 Å²	88	49.4 Å²	49.4	38%	0.383	28%	0.276	S	S	.	.	H	α-helix	trans	-58.3	-39.6	174	-175.2	175.5	167.7	-163.2	0	111.7	D100 Q101 C107 I108 D140 W144	D100-K104 PolarHBondContact O-N 3.13Å; Q101-K104 PolarHBondContact O-N 3.33Å; K104-C107 WeakPolarHBondContact O-CB 3.49Å; K104-C107 PolarHBondContact O-N 3.47Å; K104-I108 HydrophobicContact CG-CD1 4Å; K104-I108 WeakPolarHBondContact O-CD1 3.42Å; K104-I108 WeakPolarHBondContact O-CG1 3.48Å; K104-I108 PolarHBondContact O-N 3.16Å; K104-D140 IonicContact NZ-OD2 3.63Å; K104-D140 PolarHBondContact NZ-OD2 3.33Å; K104-W144 HydrophobicContact CD-CH2 4.02Å; K104-W144 HydrophobicContact CD-CZ2 4.43Å
105	I	98.8	Very high	98.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.9	-41.7	175.9	-72.7	159.5	0	0	0	111.3	I84 Q101 L102 D103 C107 I108 L109 L141 W144 L204 Y207	I84-I105 HydrophobicContact CD1-CG2 3.71Å; Q101-I105 WeakPolarHBondContact O-CB 3.31Å; Q101-I105 WeakPolarHBondContact O-CD1 3.37Å; Q101-I105 VanDerWaalsContact O-CG1 3.24Å; Q101-I105 WeakPolarHBondContact O-CG1 3.27Å; Q101-I105 PolarHBondContact O-N 3.01Å; L102-I105 HydrophobicContact CD2-CD1 4.47Å; L102-I105 WeakPolarHBondContact O-CB 3.48Å; L102-I105 PolarHBondContact O-N 3.44Å; D103-I105 VanDerWaalsContact C-N 3.27Å; D103-I105 PolarHBondContact O-N 2.68Å; I105-C107 VanDerWaalsContact C-N 3.26Å; I105-C107 PolarHBondContact O-N 3.41Å; I105-I108 PolarHBondContact O-N 3.1Å; I105-I108 VanDerWaalsContact O-N 3.14Å; I105-L109 HydrophobicContact CG2-CD1 4.13Å; I105-L109 HydrophobicContact CG2-CG 4.3Å; I105-L109 WeakPolarHBondContact O-CG 3.49Å; I105-L109 PolarHBondContact O-N 3.29Å; I105-L141 HydrophobicContact CD1-CD2 4.06Å; I105-L141 HydrophobicContact CG1-CD2 4.42Å; I105-W144 HydrophobicContact CD1-CZ3 4.29Å; I105-W144 HydrophobicContact CG1-CZ3 4.36Å; I105-L204 HydrophobicContact CD1-CD1 3.76Å; I105-L204 HydrophobicContact CG1-CD1 4.2Å; I105-L204 HydrophobicContact CG2-CD1 3.7Å; I105-L204 HydrophobicContact CG2-CD2 3.84Å; I105-L204 HydrophobicContact CG2-CG 4.45Å; I105-Y207 HydrophobicContact CD1-CD1 3.76Å; I105-Y207 HydrophobicContact CD1-CE1 3.39Å
106	Q	98.8	Very high	98.2	Very high	46 Å²	46	40.6 Å²	40.6	22%	0.215	22%	0.221	C	C	.	.	H	α-helix	trans	-60.3	-37.8	175.7	-69.4	-175.2	-97.2	0	0	111.7	S81 I84 L102 D103 L109 Q110	S81-Q106 PolarHBondContact O-NE2 2.71Å; S81-Q106 VanDerWaalsContact O-NE2 3.09Å; I84-Q106 HydrophobicContact CB-CG 4.26Å; I84-Q106 HydrophobicContact CG2-CG 3.77Å; L102-Q106 PolarHBondContact O-N 3.17Å; D103-Q106 PolarHBondContact O-N 3.03Å; D103-Q106 VanDerWaalsContact O-N 3.1Å; Q106-L109 PolarHBondContact O-N 3.35Å; Q106-Q110 PolarHBondContact O-N 2.7Å
107	C	98.6	Very high	98.2	Very high	73 Å²	73	40.7 Å²	40.7	49%	0.493	22%	0.224	S	C	.	.	H	α-helix	trans	-64.4	-45.4	172.9	-63.7	0	0	0	0	111.9	D103 K104 I105 L109 Q110 D111	D103-C107 PolarHBondContact O-N 3.31Å; D103-C107 VanDerWaalsContact O-N 3.13Å; K104-C107 WeakPolarHBondContact O-CB 3.49Å; K104-C107 PolarHBondContact O-N 3.47Å; I105-C107 VanDerWaalsContact C-N 3.26Å; I105-C107 PolarHBondContact O-N 3.41Å; C107-L109 VanDerWaalsContact C-N 3.27Å; C107-L109 PolarHBondContact O-N 2.97Å; C107-Q110 VanDerWaalsContact O-CB 3.22Å; C107-Q110 WeakPolarHBondContact O-CB 3.49Å; C107-Q110 PolarHBondContact O-N 2.8Å; C107-D111 PolarHBondContact O-N 3.27Å
108	I	98.8	Very high	98.4	Very high	13 Å²	13	35.6 Å²	35.6	7%	0.067	19%	0.192	C	C	.	.	H	α-helix	trans	-63.9	-33.8	177.3	-64.2	155.3	0	0	0	111.3	K104 I105 Q110 D111 V112 F133 P137 F200	K104-I108 HydrophobicContact CG-CD1 4Å; K104-I108 WeakPolarHBondContact O-CD1 3.42Å; K104-I108 WeakPolarHBondContact O-CG1 3.48Å; K104-I108 PolarHBondContact O-N 3.16Å; I105-I108 PolarHBondContact O-N 3.1Å; I105-I108 VanDerWaalsContact O-N 3.14Å; I108-Q110 PolarHBondContact O-N 2.72Å; I108-D111 WeakPolarHBondContact O-CA 3.41Å; I108-D111 WeakPolarHBondContact O-CB 3.36Å; I108-D111 PolarHBondContact O-N 2.69Å; I108-V112 WeakPolarHBondContact O-CG2 3.16Å; I108-V112 PolarHBondContact O-N 3.44Å; I108-F133 HydrophobicContact CG2-CE2 3.99Å; I108-F133 HydrophobicContact CG2-CZ 3.95Å; I108-P137 HydrophobicContact CD1-CB 3.97Å; I108-P137 HydrophobicContact CD1-CG 4.29Å; I108-P137 HydrophobicContact CG1-CB 4.48Å; I108-P137 HydrophobicContact CG1-CG 4.38Å; I108-P137 HydrophobicContact CG2-CB 4.08Å; I108-P137 HydrophobicContact CG2-CG 4.18Å; I108-F200 HydrophobicContact CB-CZ 4Å; I108-F200 HydrophobicContact CD1-CE2 4.42Å; I108-F200 HydrophobicContact CD1-CZ 4.48Å; I108-F200 HydrophobicContact CG2-CD1 4.33Å; I108-F200 HydrophobicContact CG2-CD2 4.3Å; I108-F200 HydrophobicContact CG2-CE1 3.73Å; I108-F200 HydrophobicContact CG2-CE2 3.69Å; I108-F200 HydrophobicContact CG2-CZ 3.37Å
109	L	98.8	Very high	98.4	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-65	-27.4	174.9	-71.5	173.9	0	0	0	112.5	T77 L80 I84 I105 Q106 C107 V112 G113 F200 L201 L204	T77-L109 HydrophobicContact CG2-CB 4.27Å; T77-L109 HydrophobicContact CG2-CD2 4.17Å; L80-L109 HydrophobicContact CD2-CD1 3.91Å; L80-L109 HydrophobicContact CD2-CD2 3.77Å; L80-L109 HydrophobicContact CG-CD1 3.82Å; I84-L109 HydrophobicContact CD1-CD1 3.78Å; I105-L109 HydrophobicContact CG2-CD1 4.13Å; I105-L109 HydrophobicContact CG2-CG 4.3Å; I105-L109 WeakPolarHBondContact O-CG 3.49Å; I105-L109 PolarHBondContact O-N 3.29Å; Q106-L109 PolarHBondContact O-N 3.35Å; C107-L109 VanDerWaalsContact C-N 3.27Å; C107-L109 PolarHBondContact O-N 2.97Å; L109-V112 WeakPolarHBondContact O-CB 3.42Å; L109-V112 PolarHBondContact O-N 3.12Å; L109-G113 PolarHBondContact O-N 3.05Å; L109-F200 HydrophobicContact CD2-CE1 4Å; L109-L201 HydrophobicContact CD2-CD2 3.93Å; L109-L204 HydrophobicContact CD2-CD2 4.1Å
110	Q	98.4	Very high	98.3	Very high	131 Å²	131	37 Å²	37	61%	0.612	20%	0.196	S	C	*	.	H	α-helix	trans	-67.6	-37.4	169.7	-169.5	62.7	30.9	0	0	111.8	Q106 C107 I108 G113 S114	Q106-Q110 PolarHBondContact O-N 2.7Å; C107-Q110 VanDerWaalsContact O-CB 3.22Å; C107-Q110 WeakPolarHBondContact O-CB 3.49Å; C107-Q110 PolarHBondContact O-N 2.8Å; I108-Q110 PolarHBondContact O-N 2.72Å; Q110-G113 PolarHBondContact O-N 2.9Å; Q110-S114 WeakPolarHBondContact O-CB 3.47Å; Q110-S114 PolarHBondContact O-N 3.33Å; Q110-S114 PolarHBondContact O-OG 3.34Å
111	D	98.4	Very high	98.1	Very high	95 Å²	95	35.7 Å²	35.7	51%	0.508	20%	0.196	S	C	.	.	H	α-helix	trans	-67.9	-41.1	174	-64.3	-32	0	0	0	111.3	C107 I108 S114 N115 F133	C107-D111 PolarHBondContact O-N 3.27Å; I108-D111 WeakPolarHBondContact O-CA 3.41Å; I108-D111 WeakPolarHBondContact O-CB 3.36Å; I108-D111 PolarHBondContact O-N 2.69Å; D111-S114 PolarHBondContact O-N 3.02Å; D111-N115 PolarHBondContact O-N 3.04Å; D111-F133 HydrophobicContact CB-CD2 4.42Å; D111-F133 HydrophobicContact CB-CE2 4.34Å
112	V	98.6	Very high	97.9	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-56.5	-50.3	171.2	165.9	0	0	0	0	110.3	T77 I108 L109 S114 N115 I116 F133 V197 F200	T77-V112 HydrophobicContact CG2-CB 4.48Å; T77-V112 HydrophobicContact CG2-CG1 3.99Å; I108-V112 WeakPolarHBondContact O-CG2 3.16Å; I108-V112 PolarHBondContact O-N 3.44Å; L109-V112 WeakPolarHBondContact O-CB 3.42Å; L109-V112 PolarHBondContact O-N 3.12Å; V112-S114 VanDerWaalsContact C-N 3.32Å; V112-S114 PolarHBondContact O-N 2.8Å; V112-N115 WeakPolarHBondContact O-CB 3.39Å; V112-N115 PolarHBondContact O-N 3.22Å; V112-I116 HydrophobicContact CG1-CD1 3.58Å; V112-I116 HydrophobicContact CG1-CG1 4.46Å; V112-I116 WeakPolarHBondContact O-CD1 3.33Å; V112-I116 WeakPolarHBondContact O-CG1 3.41Å; V112-I116 PolarHBondContact O-N 2.72Å; V112-F133 HydrophobicContact CG2-CD2 4.28Å; V112-F133 HydrophobicContact CG2-CE2 3.5Å; V112-F133 VanDerWaalsContact CG2-CE2 3.5Å; V112-F133 HydrophobicContact CG2-CZ 3.85Å; V112-V197 HydrophobicContact CB-CG1 4.3Å; V112-V197 HydrophobicContact CG1-CG1 3.51Å; V112-V197 HydrophobicContact CG2-CG1 4.21Å; V112-F200 HydrophobicContact CG2-CD1 3.84Å; V112-F200 HydrophobicContact CG2-CE1 4.17Å
113	G	98.4	Very high	97.8	Very high	12 Å²	12	36.7 Å²	36.7	12%	0.124	21%	0.207	C	C	.	.	H	α-helix	trans	-59	-42.5	176.8	0	0	0	0	0	112.2	L74 L109 Q110 N115 I116 A117	L74-G113 WeakPolarHBondContact CD2-O 3.29Å; L109-G113 PolarHBondContact O-N 3.05Å; Q110-G113 PolarHBondContact O-N 2.9Å; G113-N115 VanDerWaalsContact C-N 3.33Å; G113-N115 PolarHBondContact O-N 3.26Å; G113-I116 PolarHBondContact O-N 3.46Å; G113-A117 VanDerWaalsContact O-CB 3.24Å; G113-A117 WeakPolarHBondContact O-CB 3.4Å; G113-A117 PolarHBondContact O-N 3.16Å
114	S	98.1	Very high	97.7	Very high	35 Å²	35	41.8 Å²	41.8	25%	0.245	22%	0.221	C	C	.	.	H	α-helix	trans	-63.2	-37.8	177.5	-59.5	0	0	0	0	112.7	Q110 D111 V112 T118	Q110-S114 WeakPolarHBondContact O-CB 3.47Å; Q110-S114 PolarHBondContact O-N 3.33Å; Q110-S114 PolarHBondContact O-OG 3.34Å; D111-S114 PolarHBondContact O-N 3.02Å; V112-S114 VanDerWaalsContact C-N 3.32Å; V112-S114 PolarHBondContact O-N 2.8Å; S114-T118 PolarHBondContact O-N 3.45Å; S114-T118 PolarHBondContact O-OG1 3.42Å
115	N	98.4	Very high	97.5	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.5	-50.6	174.3	-169.1	-88.9	0	0	0	111.5	D111 V112 G113 A117 T118 R120 T131 A193 D194 V197	D111-N115 PolarHBondContact O-N 3.04Å; V112-N115 WeakPolarHBondContact O-CB 3.39Å; V112-N115 PolarHBondContact O-N 3.22Å; G113-N115 VanDerWaalsContact C-N 3.33Å; G113-N115 PolarHBondContact O-N 3.26Å; N115-A117 VanDerWaalsContact C-N 3.32Å; N115-A117 PolarHBondContact O-N 3.36Å; N115-T118 PolarHBondContact O-N 3.49Å; N115-R120 PolarHBondContact ND2-NH2 3.15Å; N115-T131 PolarHBondContact ND2-O 3.08Å; N115-A193 WeakPolarHBondContact OD1-CB 3.36Å; N115-D194 PolarHBondContact ND2-OD2 3.46Å; N115-D194 PolarHBondContact OD1-N 3.31Å; N115-V197 HydrophobicContact CB-CG2 4.01Å; N115-V197 WeakPolarHBondContact OD1-CG2 3.44Å
116	I	98.2	Very high	97.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-60.7	-41.5	179.1	-64.7	161	0	0	0	111	I70 A73 L74 V112 G113 T118 V184 I187 V197	I70-I116 HydrophobicContact CG2-CG2 4.33Å; A73-I116 HydrophobicContact CB-CG2 3.85Å; L74-I116 HydrophobicContact CD2-CB 3.95Å; L74-I116 HydrophobicContact CD2-CG2 3.94Å; L74-I116 HydrophobicContact CG-CG2 3.96Å; V112-I116 HydrophobicContact CG1-CD1 3.58Å; V112-I116 HydrophobicContact CG1-CG1 4.46Å; V112-I116 WeakPolarHBondContact O-CD1 3.33Å; V112-I116 WeakPolarHBondContact O-CG1 3.41Å; V112-I116 PolarHBondContact O-N 2.72Å; G113-I116 PolarHBondContact O-N 3.46Å; I116-T118 PolarHBondContact O-N 2.95Å; I116-V184 HydrophobicContact CD1-CG2 3.53Å; I116-V184 HydrophobicContact CG1-CG2 4.31Å; I116-I187 HydrophobicContact CG2-CD1 4.09Å; I116-V197 HydrophobicContact CD1-CG1 4.38Å; I116-V197 HydrophobicContact CG1-CG1 4.41Å
117	A	98	Very high	97.1	Very high	15 Å²	15	46.7 Å²	46.7	12%	0.124	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-3.2	177	0	0	0	0	0	113.4	T58 F59 L74 G113 N115 P119	T58-A117 WeakPolarHBondContact CB-O 3.46Å; F59-A117 HydrophobicContact CB-CB 4.07Å; F59-A117 VanDerWaalsContact CB-O 3.29Å; F59-A117 WeakPolarHBondContact CB-O 3.4Å; F59-A117 PolarHBondContact N-O 3.09Å; L74-A117 HydrophobicContact CD1-CB 3.96Å; L74-A117 HydrophobicContact CD2-CB 3.98Å; G113-A117 VanDerWaalsContact O-CB 3.24Å; G113-A117 WeakPolarHBondContact O-CB 3.4Å; G113-A117 PolarHBondContact O-N 3.16Å; N115-A117 VanDerWaalsContact C-N 3.32Å; N115-A117 PolarHBondContact O-N 3.36Å; A117-P119 VanDerWaalsContact C-CD 3.41Å; A117-P119 WeakPolarHBondContact O-CD 3.32Å
118	T	98	Very high	96.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-119.4	69.5	-179.8	-48.3	0	0	0	0	111.9	F59 T60 S114 N115 I116 R120 A123 H127 T131	F59-T118 WeakPolarHBondContact CD1-OG1 3.33Å; T60-T118 HydrophobicContact CG2-CG2 3.89Å; S114-T118 PolarHBondContact O-N 3.45Å; S114-T118 PolarHBondContact O-OG1 3.42Å; N115-T118 PolarHBondContact O-N 3.49Å; I116-T118 PolarHBondContact O-N 2.95Å; T118-R120 PolarHBondContact O-N 3.19Å; T118-A123 HydrophobicContact CG2-CB 3.82Å; T118-H127 HydrophobicContact CG2-CB 3.66Å; T118-T131 WeakPolarHBondContact CB-OG1 3.5Å; T118-T131 WeakPolarHBondContact CG2-OG1 3.34Å; T118-T131 WeakPolarHBondContact OG1-CG2 3.26Å; T118-T131 PolarHBondContact OG1-OG1 2.93Å
119	P	97.3	Very high	96.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.267	C	S	.	.			trans	-51.2	125.4	178.7	-25.1	33.4	0	0	0	111.7	T58 I70 A117 S121 S122 A123 E192	T58-P119 HydrophobicContact CG2-CG 4.34Å; I70-P119 HydrophobicContact CD1-CG 3.97Å; I70-P119 HydrophobicContact CG1-CG 4.05Å; A117-P119 VanDerWaalsContact C-CD 3.41Å; A117-P119 WeakPolarHBondContact O-CD 3.32Å; P119-S121 PolarHBondContact O-N 3.17Å; P119-S122 PolarHBondContact O-N 3.29Å; P119-S122 VanDerWaalsContact O-N 3.16Å; P119-A123 VanDerWaalsContact O-CB 3.24Å; P119-A123 WeakPolarHBondContact O-CB 3.25Å; P119-A123 PolarHBondContact O-N 3Å; P119-E192 WeakPolarHBondContact CA-O 3.22Å; P119-E192 WeakPolarHBondContact CA-OE2 3.42Å; P119-E192 VanDerWaalsContact CB-OE2 3.24Å; P119-E192 WeakPolarHBondContact CB-OE2 3.43Å
120	R	95.9	Very high	96.5	Very high	41 Å²	41	62 Å²	62	16%	0.155	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.3	-174.7	-65	-53.4	-174.3	-152.8	9.8	113.1	N115 T118 G191 E192 D194	N115-R120 PolarHBondContact ND2-NH2 3.15Å; T118-R120 PolarHBondContact O-N 3.19Å; R120-G191 VanDerWaalsContact CB-O 3.32Å; R120-G191 WeakPolarHBondContact CB-O 3.33Å; R120-G191 WeakPolarHBondContact CG-O 3.02Å; R120-E192 WeakPolarHBondContact CG-O 3.45Å; R120-E192 PolarHBondContact N-O 3.06Å; R120-E192 PolarHBondContact N-OE2 2.83Å; R120-D194 IonicContact CZ-OD1 2.92Å; R120-D194 IonicContact NE-OD1 3.35Å; R120-D194 PolarHBondContact NE-OD1 3.33Å; R120-D194 IonicContact NH2-OD1 2.7Å; R120-D194 PolarHBondContact NH2-OD1 2.98Å; R120-D194 IonicContact NH2-OD2 2.83Å; R120-D194 PolarHBondContact NH2-OD2 3.41Å
121	S	94.8	Very high	96.4	Very high	88 Å²	88	56.2 Å²	56.2	62%	0.615	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-32.3	178.6	62	0	0	0	0	113.3	P119 E192	P119-S121 PolarHBondContact O-N 3.17Å; S121-E192 WeakPolarHBondContact CB-OE1 3.39Å; S121-E192 PolarHBondContact N-OE2 2.76Å; S121-E192 PolarHBondContact OG-OE1 3.22Å; S121-E192 PolarHBondContact OG-OE2 3.5Å
122	S	94.4	Very high	96.3	Very high	41 Å²	41	59.3 Å²	59.3	29%	0.287	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-3.9	178.3	69.2	0	0	0	0	113.8	T60 E62 P119	T60-S122 PolarHBondContact OG1-OG 3.08Å; E62-S122 WeakPolarHBondContact OE2-CB 3.2Å; E62-S122 PolarHBondContact OE2-OG 3.17Å; P119-S122 PolarHBondContact O-N 3.29Å; P119-S122 VanDerWaalsContact O-N 3.16Å
123	A	95.6	Very high	96.3	Very high	13 Å²	13	59.8 Å²	59.8	11%	0.107	28%	0.284	C	S	.	.			trans	-84.2	132.8	-175.9	0	0	0	0	0	113.9	T60 T118 P119 H127 K128	T60-A123 HydrophobicContact CG2-CB 3.96Å; T118-A123 HydrophobicContact CG2-CB 3.82Å; P119-A123 VanDerWaalsContact O-CB 3.24Å; P119-A123 WeakPolarHBondContact O-CB 3.25Å; P119-A123 PolarHBondContact O-N 3Å; A123-H127 HydrophobicContact CB-CB 4.16Å; A123-K128 HydrophobicContact CB-CG 3.73Å; A123-K128 VanDerWaalsContact O-CE 3.28Å; A123-K128 WeakPolarHBondContact O-CE 3.49Å
124	R	96.1	Very high	96.1	Very high	182 Å²	182	62.2 Å²	62.2	69%	0.687	30%	0.3	S	S	*	.			trans	-74.7	159.1	163.2	-60.3	178.6	-171.8	162.3	2.1	110	I126 H127 K128	R124-I126 HydrophobicContact CB-CG2 4.22Å; R124-I126 PolarHBondContact O-N 3.22Å; R124-I126 VanDerWaalsContact O-N 3.13Å; R124-H127 PolarHBondContact N-ND1 3.39Å; R124-H127 WeakPolarHBondContact O-CA 3.37Å; R124-H127 WeakPolarHBondContact O-CB 3.39Å; R124-H127 PolarHBondContact O-N 3.37Å; R124-K128 PolarHBondContact O-N 3.34Å; R124-K128 VanDerWaalsContact O-N 3.08Å
125	E	94.6	Very high	96	Very high	115 Å²	115	64 Å²	64	54%	0.537	31%	0.31	S	S	.	.	H	α-helix	trans	-55.1	-34.7	179.1	-68.6	-52.5	117.5	0	0	113.8	K128 K129	E125-K128 PolarHBondContact O-N 3.45Å; E125-K128 WeakPolarHBondContact OE1-CD 3.2Å; E125-K128 IonicContact OE1-NZ 2.79Å; E125-K128 PolarHBondContact OE1-NZ 3.05Å; E125-K129 WeakPolarHBondContact O-CB 3.49Å; E125-K129 WeakPolarHBondContact O-CG 3.24Å; E125-K129 PolarHBondContact O-N 3.3Å
126	I	95.1	Very high	96	Very high	90 Å²	90	68.9 Å²	68.9	46%	0.462	33%	0.333	S	S	.	.	H	α-helix	trans	-65.9	-37	175.2	-168.3	167.6	0	0	0	112.7	R124 R130	R124-I126 HydrophobicContact CB-CG2 4.22Å; R124-I126 PolarHBondContact O-N 3.22Å; R124-I126 VanDerWaalsContact O-N 3.13Å; I126-R130 WeakPolarHBondContact O-CB 3.42Å; I126-R130 WeakPolarHBondContact O-CG 3.39Å; I126-R130 PolarHBondContact O-N 3.35Å; I126-R130 VanDerWaalsContact O-N 3.17Å
127	H	95.1	Very high	96	Very high	32 Å²	32	69.7 Å²	69.7	15%	0.148	34%	0.338	C	S	.	.	H	α-helix	trans	-66.8	-47.6	176.1	-51	155.7	0	0	0	109.3	T118 A123 R124 K129 R130 T131	T118-H127 HydrophobicContact CG2-CB 3.66Å; A123-H127 HydrophobicContact CB-CB 4.16Å; R124-H127 PolarHBondContact N-ND1 3.39Å; R124-H127 WeakPolarHBondContact O-CA 3.37Å; R124-H127 WeakPolarHBondContact O-CB 3.39Å; R124-H127 PolarHBondContact O-N 3.37Å; H127-K129 VanDerWaalsContact C-N 3.34Å; H127-K129 PolarHBondContact O-N 2.85Å; H127-R130 PolarHBondContact O-N 3.35Å; H127-R130 VanDerWaalsContact O-N 3.16Å; H127-T131 PolarHBondContact O-N 3.14Å; H127-T131 PolarHBondContact O-OG1 2.9Å
128	K	94.1	Very high	96	Very high	61 Å²	61	69.8 Å²	69.8	27%	0.265	34%	0.336	S	S	.	.	H	α-helix	trans	-58.1	-43.3	179.2	-61.7	179.6	-169.4	164.7	0	112.7	A123 R124 E125 K132	A123-K128 HydrophobicContact CB-CG 3.73Å; A123-K128 VanDerWaalsContact O-CE 3.28Å; A123-K128 WeakPolarHBondContact O-CE 3.49Å; R124-K128 PolarHBondContact O-N 3.34Å; R124-K128 VanDerWaalsContact O-N 3.08Å; E125-K128 PolarHBondContact O-N 3.45Å; E125-K128 WeakPolarHBondContact OE1-CD 3.2Å; E125-K128 IonicContact OE1-NZ 2.79Å; E125-K128 PolarHBondContact OE1-NZ 3.05Å; K128-K132 PolarHBondContact O-N 3.41Å; K128-K132 VanDerWaalsContact O-N 3.07Å
129	K	94.6	Very high	96.1	Very high	165 Å²	165	73 Å²	73	72%	0.717	36%	0.356	S	S	*	.	H	α-helix	trans	-64.4	-40.9	177.2	-74.6	178.4	-178.2	-176.9	0	112.6	E125 H127	E125-K129 WeakPolarHBondContact O-CB 3.49Å; E125-K129 WeakPolarHBondContact O-CG 3.24Å; E125-K129 PolarHBondContact O-N 3.3Å; H127-K129 VanDerWaalsContact C-N 3.34Å; H127-K129 PolarHBondContact O-N 2.85Å
130	R	95.1	Very high	96.1	Very high	187 Å²	187	74.4 Å²	74.4	71%	0.706	36%	0.364	S	S	*	.	H	α-helix	trans	-71.8	-30.5	-178.8	-76.4	179.3	175.2	-175.7	-1.7	113.4	I126 H127	I126-R130 WeakPolarHBondContact O-CB 3.42Å; I126-R130 WeakPolarHBondContact O-CG 3.39Å; I126-R130 PolarHBondContact O-N 3.35Å; I126-R130 VanDerWaalsContact O-N 3.17Å; H127-R130 PolarHBondContact O-N 3.35Å; H127-R130 VanDerWaalsContact O-N 3.16Å
131	T	96.4	Very high	96.3	Very high	8 Å²	8	72.5 Å²	72.5	5%	0.049	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	17.4	-176.9	64.1	0	0	0	0	113	F59 N115 T118 H127 F133	F59-T131 HydrophobicContact CD1-CG2 3.72Å; F59-T131 HydrophobicContact CE1-CG2 3.7Å; N115-T131 PolarHBondContact ND2-O 3.08Å; T118-T131 WeakPolarHBondContact CB-OG1 3.5Å; T118-T131 WeakPolarHBondContact CG2-OG1 3.34Å; T118-T131 WeakPolarHBondContact OG1-CG2 3.26Å; T118-T131 PolarHBondContact OG1-OG1 2.93Å; H127-T131 PolarHBondContact O-N 3.14Å; H127-T131 PolarHBondContact O-OG1 2.9Å; T131-F133 PolarHBondContact O-N 2.93Å
132	K	95.8	Very high	96.4	Very high	161 Å²	161	71.4 Å²	71.4	70%	0.7	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-61.2	128.1	174.5	-176.5	179	179.3	-176.5	0	109.6	K128	K128-K132 PolarHBondContact O-N 3.41Å; K128-K132 VanDerWaalsContact O-N 3.07Å
133	F	97.6	Very high	96.7	Very high	9 Å²	9	73.4 Å²	73.4	4%	0.039	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-85.8	134.9	177	-164.6	-104.1	0	0	0	110.7	I108 D111 V112 T131 P137 D194 D196 V197 F200	I108-F133 HydrophobicContact CG2-CE2 3.99Å; I108-F133 HydrophobicContact CG2-CZ 3.95Å; D111-F133 HydrophobicContact CB-CD2 4.42Å; D111-F133 HydrophobicContact CB-CE2 4.34Å; V112-F133 HydrophobicContact CG2-CD2 4.28Å; V112-F133 HydrophobicContact CG2-CE2 3.5Å; V112-F133 VanDerWaalsContact CG2-CE2 3.5Å; V112-F133 HydrophobicContact CG2-CZ 3.85Å; T131-F133 PolarHBondContact O-N 2.93Å; F133-P137 HydrophobicContact CZ-CG 4.49Å; F133-D194 HydrophobicContact CB-CB 4.21Å; F133-D194 PolarHBondContact N-OD2 2.95Å; F133-D196 HydrophobicContact CD1-CB 3.87Å; F133-D196 HydrophobicContact CE1-CB 4.45Å; F133-V197 HydrophobicContact CB-CG2 3.93Å; F133-V197 HydrophobicContact CD1-CG2 4.12Å; F133-V197 HydrophobicContact CD2-CG2 4.22Å; F133-V197 HydrophobicContact CG-CG2 3.82Å; F133-F200 HydrophobicContact CE1-CB 3.81Å; F133-F200 HydrophobicContact CE1-CG 4.26Å; F133-F200 HydrophobicContact CZ-CB 3.91Å; F133-F200 HydrophobicContact CZ-CD1 4.21Å; F133-F200 HydrophobicContact CZ-CD2 4.28Å; F133-F200 AromaticContact CZ-CG 3.86Å; F133-F200 HydrophobicContact CZ-CG 3.86Å
134	S	95.4	Very high	96.8	Very high	64 Å²	64	74.8 Å²	74.8	45%	0.448	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-85.3	143.2	176.8	-179.6	0	0	0	0	110.3	Q136 P137	S134-Q136 VanDerWaalsContact C-N 3.31Å; S134-Q136 PolarHBondContact OG-N 3.35Å; S134-P137 VanDerWaalsContact O-CD 3.24Å; S134-P137 WeakPolarHBondContact O-CD 3.45Å
135	P	95.8	Very high	96.9	Very high	71 Å²	71	67.1 Å²	67.1	46%	0.461	33%	0.327	S	S	.	.	S	Bend	trans	-76.6	-15.5	172.5	31	-35.2	0	0	0	113.4	P137 I138	P135-P137 VanDerWaalsContact C-CD 3.45Å; P135-I138 VanDerWaalsContact O-CB 3.3Å; P135-I138 WeakPolarHBondContact O-CB 3.44Å; P135-I138 PolarHBondContact O-N 2.99Å
136	Q	98.2	Very high	97.1	Very high	103 Å²	103	66.5 Å²	66.5	48%	0.481	33%	0.327	S	S	.	.	H	α-helix	trans	-53.3	-42.7	-176	-175.6	62.4	48	0	0	114.5	S134 I138 T139 D140	S134-Q136 VanDerWaalsContact C-N 3.31Å; S134-Q136 PolarHBondContact OG-N 3.35Å; Q136-I138 PolarHBondContact O-N 3.36Å; Q136-I138 VanDerWaalsContact O-N 3.12Å; Q136-T139 PolarHBondContact O-N 3.36Å; Q136-T139 VanDerWaalsContact O-N 3.09Å; Q136-D140 PolarHBondContact NE2-OD1 3.24Å; Q136-D140 PolarHBondContact O-N 2.67Å
137	P	98.4	Very high	97.3	Very high	17 Å²	17	66.9 Å²	66.9	11%	0.11	33%	0.327	C	S	.	.	H	α-helix	trans	-58	-25.7	177	-27.6	38.4	0	0	0	114.6	I108 F133 S134 P135 L141 F200	I108-P137 HydrophobicContact CD1-CB 3.97Å; I108-P137 HydrophobicContact CD1-CG 4.29Å; I108-P137 HydrophobicContact CG1-CB 4.48Å; I108-P137 HydrophobicContact CG1-CG 4.38Å; I108-P137 HydrophobicContact CG2-CB 4.08Å; I108-P137 HydrophobicContact CG2-CG 4.18Å; F133-P137 HydrophobicContact CZ-CG 4.49Å; S134-P137 VanDerWaalsContact O-CD 3.24Å; S134-P137 WeakPolarHBondContact O-CD 3.45Å; P135-P137 VanDerWaalsContact C-CD 3.45Å; P137-L141 VanDerWaalsContact O-CG 3.3Å; P137-L141 WeakPolarHBondContact O-CG 3.48Å; P137-L141 PolarHBondContact O-N 3.14Å; P137-L141 VanDerWaalsContact O-N 3.12Å; P137-F200 HydrophobicContact CB-CD2 3.7Å; P137-F200 HydrophobicContact CB-CE2 3.64Å
138	I	98.7	Very high	97.4	Very high	17 Å²	17	65.5 Å²	65.5	9%	0.087	32%	0.321	C	S	.	.	H	α-helix	trans	-69	-47.8	176.8	-56.2	166.9	0	0	0	109.3	P135 Q136 D140 L141 E142 D196 K199 F200	P135-I138 VanDerWaalsContact O-CB 3.3Å; P135-I138 WeakPolarHBondContact O-CB 3.44Å; P135-I138 PolarHBondContact O-N 2.99Å; Q136-I138 PolarHBondContact O-N 3.36Å; Q136-I138 VanDerWaalsContact O-N 3.12Å; I138-D140 VanDerWaalsContact C-N 3.32Å; I138-D140 PolarHBondContact O-N 3.28Å; I138-L141 WeakPolarHBondContact O-CB 3.27Å; I138-L141 PolarHBondContact O-N 2.86Å; I138-E142 WeakPolarHBondContact O-CG 3.11Å; I138-E142 PolarHBondContact O-N 3.08Å; I138-D196 HydrophobicContact CD1-CB 3.99Å; I138-K199 HydrophobicContact CD1-CB 3.76Å; I138-K199 HydrophobicContact CD1-CD 4.38Å; I138-F200 HydrophobicContact CG1-CB 4.04Å
139	T	98.5	Very high	97.6	Very high	68 Å²	68	66.1 Å²	66.1	42%	0.417	33%	0.33	S	S	.	.	H	α-helix	trans	-64.8	-36.6	177.6	-52.9	0	0	0	0	112	Q136 E142 T143	Q136-T139 PolarHBondContact O-N 3.36Å; Q136-T139 VanDerWaalsContact O-N 3.09Å; T139-E142 PolarHBondContact O-N 3.5Å; T139-T143 PolarHBondContact O-N 3.48Å; T139-T143 PolarHBondContact O-OG1 3.41Å
140	D	98.4	Very high	97.7	Very high	30 Å²	30	66 Å²	66	16%	0.16	33%	0.331	C	S	.	.	H	α-helix	trans	-60.2	-46.4	173.6	-69.8	0.8	0	0	0	110.9	K104 Q136 I138 T143 W144	K104-D140 IonicContact NZ-OD2 3.63Å; K104-D140 PolarHBondContact NZ-OD2 3.33Å; Q136-D140 PolarHBondContact NE2-OD1 3.24Å; Q136-D140 PolarHBondContact O-N 2.67Å; I138-D140 VanDerWaalsContact C-N 3.32Å; I138-D140 PolarHBondContact O-N 3.28Å; D140-T143 PolarHBondContact O-N 2.94Å; D140-W144 HydrophobicContact CB-CH2 4.22Å; D140-W144 HydrophobicContact CB-CZ2 4.09Å; D140-W144 VanDerWaalsContact O-CD2 3.3Å; D140-W144 PolarHBondContact O-N 3.43Å
141	L	98.8	Very high	97.8	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-62.4	-43.9	177.4	-72.8	171.1	0	0	0	112.1	I105 P137 I138 T143 W144 I145 F200 R203 L204 Y207	I105-L141 HydrophobicContact CD1-CD2 4.06Å; I105-L141 HydrophobicContact CG1-CD2 4.42Å; P137-L141 VanDerWaalsContact O-CG 3.3Å; P137-L141 WeakPolarHBondContact O-CG 3.48Å; P137-L141 PolarHBondContact O-N 3.14Å; P137-L141 VanDerWaalsContact O-N 3.12Å; I138-L141 WeakPolarHBondContact O-CB 3.27Å; I138-L141 PolarHBondContact O-N 2.86Å; L141-T143 VanDerWaalsContact C-N 3.34Å; L141-T143 PolarHBondContact O-N 3.41Å; L141-W144 HydrophobicContact CD2-CE3 4.05Å; L141-W144 HydrophobicContact CD2-CZ3 4.14Å; L141-W144 PolarHBondContact O-N 3.06Å; L141-I145 WeakPolarHBondContact O-CB 3.39Å; L141-I145 WeakPolarHBondContact O-CD1 3.37Å; L141-I145 WeakPolarHBondContact O-CG1 3.44Å; L141-I145 PolarHBondContact O-N 3.06Å; L141-F200 HydrophobicContact CD1-CD2 3.57Å; L141-F200 HydrophobicContact CD1-CE2 3.4Å; L141-F200 HydrophobicContact CD1-CG 4.49Å; L141-F200 HydrophobicContact CD1-CZ 4.2Å; L141-F200 HydrophobicContact CG-CE2 4.14Å; L141-R203 HydrophobicContact CB-CG 3.78Å; L141-R203 HydrophobicContact CD1-CB 4.11Å; L141-R203 HydrophobicContact CD1-CG 4.22Å; L141-L204 HydrophobicContact CD1-CB 4Å; L141-L204 HydrophobicContact CD2-CD1 4.11Å; L141-Y207 HydrophobicContact CD2-CD1 4.1Å; L141-Y207 HydrophobicContact CD2-CD2 4.03Å; L141-Y207 HydrophobicContact CD2-CG 3.68Å
142	E	98.8	Very high	97.8	Very high	65 Å²	65	61.2 Å²	61.2	30%	0.304	32%	0.317	S	S	.	.	H	α-helix	trans	-58.9	-46.9	177.3	-72.5	170.4	167	0	0	110.9	I138 T139 W144 I145 D146 R203	I138-E142 WeakPolarHBondContact O-CG 3.11Å; I138-E142 PolarHBondContact O-N 3.08Å; T139-E142 PolarHBondContact O-N 3.5Å; E142-W144 VanDerWaalsContact C-N 3.34Å; E142-W144 PolarHBondContact O-N 2.7Å; E142-I145 PolarHBondContact O-N 2.78Å; E142-D146 PolarHBondContact O-N 3.39Å; E142-R203 HydrophobicContact CG-CG 3.92Å; E142-R203 IonicContact OE1-CZ 3.87Å; E142-R203 IonicContact OE1-NE 3.78Å; E142-R203 PolarHBondContact OE1-NE 3.47Å; E142-R203 IonicContact OE1-NH2 3.33Å; E142-R203 PolarHBondContact OE1-NH2 3.14Å
143	T	98.7	Very high	97.7	Very high	82 Å²	82	56.9 Å²	56.9	50%	0.503	31%	0.305	S	S	.	.	H	α-helix	trans	-60.3	-42.4	177.1	-55.4	0	0	0	0	112.1	T139 D140 L141 H147	T139-T143 PolarHBondContact O-N 3.48Å; T139-T143 PolarHBondContact O-OG1 3.41Å; D140-T143 PolarHBondContact O-N 2.94Å; L141-T143 VanDerWaalsContact C-N 3.34Å; L141-T143 PolarHBondContact O-N 3.41Å; T143-H147 WeakPolarHBondContact O-CB 3.5Å; T143-H147 PolarHBondContact O-N 2.94Å; T143-H147 VanDerWaalsContact O-N 3.11Å
144	W	98.7	Very high	97.4	Very high	42 Å²	42	61.8 Å²	61.8	16%	0.159	34%	0.338	C	S	.	.	H	α-helix	trans	-70.7	-37.7	178.3	-59.7	-24.1	0	0	0	112.6	Q101 K104 I105 D140 L141 E142 D146 H147 F148 Y207	Q101-W144 HydrophobicContact CB-CE3 4.16Å; Q101-W144 HydrophobicContact CB-CH2 4.18Å; Q101-W144 HydrophobicContact CB-CZ3 3.97Å; Q101-W144 HydrophobicContact CG-CD2 4.11Å; Q101-W144 HydrophobicContact CG-CE3 4.21Å; Q101-W144 HydrophobicContact CG-CH2 4.21Å; Q101-W144 HydrophobicContact CG-CZ2 4.09Å; Q101-W144 HydrophobicContact CG-CZ3 4.26Å; K104-W144 HydrophobicContact CD-CH2 4.02Å; K104-W144 HydrophobicContact CD-CZ2 4.43Å; I105-W144 HydrophobicContact CD1-CZ3 4.29Å; I105-W144 HydrophobicContact CG1-CZ3 4.36Å; D140-W144 HydrophobicContact CB-CH2 4.22Å; D140-W144 HydrophobicContact CB-CZ2 4.09Å; D140-W144 VanDerWaalsContact O-CD2 3.3Å; D140-W144 PolarHBondContact O-N 3.43Å; L141-W144 HydrophobicContact CD2-CE3 4.05Å; L141-W144 HydrophobicContact CD2-CZ3 4.14Å; L141-W144 PolarHBondContact O-N 3.06Å; E142-W144 VanDerWaalsContact C-N 3.34Å; E142-W144 PolarHBondContact O-N 2.7Å; W144-D146 VanDerWaalsContact C-N 3.33Å; W144-H147 PolarHBondContact O-N 3.11Å; W144-F148 HydrophobicContact CB-CE2 4.22Å; W144-F148 WeakPolarHBondContact O-CD2 3.46Å; W144-F148 PolarHBondContact O-N 2.82Å; W144-Y207 HydrophobicContact CB-CD2 4.03Å; W144-Y207 HydrophobicContact CB-CE2 3.8Å; W144-Y207 HydrophobicContact CD2-CE2 4.39Å; W144-Y207 HydrophobicContact CE3-CD2 4.23Å; W144-Y207 AromaticContact CE3-CE2 3.78Å; W144-Y207 HydrophobicContact CE3-CE2 3.78Å; W144-Y207 HydrophobicContact CG-CE2 4.45Å
145	I	98.8	Very high	97.2	Very high	22 Å²	22	62.5 Å²	62.5	11%	0.113	34%	0.337	C	S	.	.	H	α-helix	trans	-58.5	-48.9	174.7	-73.7	160.2	0	0	0	109.8	L141 E142 H147 F148 T149 R203 D206 Y207	L141-I145 WeakPolarHBondContact O-CB 3.39Å; L141-I145 WeakPolarHBondContact O-CD1 3.37Å; L141-I145 WeakPolarHBondContact O-CG1 3.44Å; L141-I145 PolarHBondContact O-N 3.06Å; E142-I145 PolarHBondContact O-N 2.78Å; I145-H147 PolarHBondContact O-N 3.47Å; I145-F148 PolarHBondContact O-N 2.88Å; I145-T149 VanDerWaalsContact O-CB 3.25Å; I145-T149 WeakPolarHBondContact O-CB 3.5Å; I145-T149 PolarHBondContact O-N 2.86Å; I145-T149 PolarHBondContact O-OG1 3.4Å; I145-R203 HydrophobicContact CD1-CG 3.99Å; I145-D206 HydrophobicContact CD1-CB 3.89Å; I145-Y207 HydrophobicContact CG1-CD2 4.3Å
146	D	98.5	Very high	96.9	Very high	101 Å²	101	64.8 Å²	64.8	54%	0.54	35%	0.349	S	S	.	.	H	α-helix	trans	-59.8	-48.2	-179.9	-68.9	-17.2	0	0	0	110.5	E142 W144 F148 T149 E150	E142-D146 PolarHBondContact O-N 3.39Å; W144-D146 VanDerWaalsContact C-N 3.33Å; D146-F148 PolarHBondContact O-N 3.38Å; D146-T149 PolarHBondContact O-N 2.97Å; D146-T149 VanDerWaalsContact O-N 3.14Å; D146-E150 WeakPolarHBondContact O-CG 3.5Å; D146-E150 PolarHBondContact O-N 2.97Å; D146-E150 VanDerWaalsContact O-N 3.08Å
147	H	98.2	Very high	96.5	Very high	98 Å²	98	63.9 Å²	63.9	45%	0.454	35%	0.348	S	S	.	.	H	α-helix	trans	-56.2	-49	178.5	179.1	58.4	0	0	0	113.6	T143 W144 I145 T149	T143-H147 WeakPolarHBondContact O-CB 3.5Å; T143-H147 PolarHBondContact O-N 2.94Å; T143-H147 VanDerWaalsContact O-N 3.11Å; W144-H147 PolarHBondContact O-N 3.11Å; I145-H147 PolarHBondContact O-N 3.47Å; H147-T149 VanDerWaalsContact C-N 3.32Å; H147-T149 PolarHBondContact O-N 3.09Å
148	F	98.2	Very high	96.2	Very high	4 Å²	4	71.4 Å²	71.4	2%	0.018	38%	0.379	C	S	.	.	H	α-helix	trans	-72.4	-28.6	179.1	-66.8	-57.6	0	0	0	112.6	F98 Q101 W144 I145 D146 E150 E151 L152 Y207 T210 V211 Y214	F98-F148 HydrophobicContact CB-CE1 4.41Å; F98-F148 HydrophobicContact CB-CE2 4.24Å; F98-F148 HydrophobicContact CB-CZ 3.65Å; F98-F148 HydrophobicContact CD1-CZ 4.47Å; F98-F148 HydrophobicContact CG-CZ 4.43Å; Q101-F148 VanDerWaalsContact OE1-CE2 3.3Å; W144-F148 HydrophobicContact CB-CE2 4.22Å; W144-F148 WeakPolarHBondContact O-CD2 3.46Å; W144-F148 PolarHBondContact O-N 2.82Å; I145-F148 PolarHBondContact O-N 2.88Å; D146-F148 PolarHBondContact O-N 3.38Å; F148-E150 VanDerWaalsContact C-N 3.33Å; F148-E151 PolarHBondContact O-N 3.35Å; F148-L152 VanDerWaalsContact O-CG 3.28Å; F148-L152 WeakPolarHBondContact O-CG 3.48Å; F148-L152 PolarHBondContact O-N 2.91Å; F148-Y207 HydrophobicContact CD2-CE2 4.41Å; F148-Y207 HydrophobicContact CE2-CE2 4.07Å; F148-T210 HydrophobicContact CB-CG2 3.63Å; F148-V211 HydrophobicContact CD2-CG1 3.67Å; F148-V211 HydrophobicContact CE2-CG1 3.77Å; F148-V211 HydrophobicContact CG-CG1 4.36Å; F148-Y214 HydrophobicContact CB-CD2 4.29Å; F148-Y214 HydrophobicContact CD1-CD1 4.1Å; F148-Y214 AromaticContact CD1-CD2 3.74Å; F148-Y214 HydrophobicContact CD1-CD2 3.74Å; F148-Y214 HydrophobicContact CD1-CE1 4.05Å; F148-Y214 AromaticContact CD1-CE2 3.69Å; F148-Y214 HydrophobicContact CD1-CE2 3.69Å; F148-Y214 AromaticContact CD1-CG 3.91Å; F148-Y214 HydrophobicContact CD1-CG 3.91Å; F148-Y214 AromaticContact CD1-CZ 3.81Å; F148-Y214 HydrophobicContact CE1-CD1 4.31Å; F148-Y214 HydrophobicContact CE1-CE1 4.02Å; F148-Y214 HydrophobicContact CE1-CE2 4.34Å; F148-Y214 AromaticContact CE1-CZ 3.99Å; F148-Y214 HydrophobicContact CG-CD2 4.4Å; F148-Y214 HydrophobicContact CG-CG 4.5Å
149	T	97.7	Very high	96.1	Very high	73 Å²	73	72 Å²	72	45%	0.448	38%	0.382	S	S	.	.	H	α-helix	trans	-67.4	-35.6	178.3	-60.3	0	0	0	0	111.5	I145 D146 H147 E151 L152	I145-T149 VanDerWaalsContact O-CB 3.25Å; I145-T149 WeakPolarHBondContact O-CB 3.5Å; I145-T149 PolarHBondContact O-N 2.86Å; I145-T149 PolarHBondContact O-OG1 3.4Å; D146-T149 PolarHBondContact O-N 2.97Å; D146-T149 VanDerWaalsContact O-N 3.14Å; H147-T149 VanDerWaalsContact C-N 3.32Å; H147-T149 PolarHBondContact O-N 3.09Å; T149-E151 VanDerWaalsContact C-N 3.25Å; T149-E151 PolarHBondContact O-N 3.21Å; T149-L152 PolarHBondContact O-N 3.36Å; T149-L152 VanDerWaalsContact O-N 3.13Å
150	E	97.4	Very high	96	Very high	162 Å²	162	72.1 Å²	72.1	76%	0.757	38%	0.38	S	S	*	.	H	α-helix	trans	-60	-33.2	175.2	-72	176.2	178.5	0	0	113.1	D146 F148	D146-E150 WeakPolarHBondContact O-CG 3.5Å; D146-E150 PolarHBondContact O-N 2.97Å; D146-E150 VanDerWaalsContact O-N 3.08Å; F148-E150 VanDerWaalsContact C-N 3.33Å
151	E	96.2	Very high	95.9	Very high	76 Å²	76	74.6 Å²	74.6	36%	0.355	40%	0.398	S	S	.	.	H	α-helix	trans	-82.9	-18.6	177.4	-68.2	-165	-107.1	0	0	113.4	F148 T149 Y214 M217 K218	F148-E151 PolarHBondContact O-N 3.35Å; T149-E151 VanDerWaalsContact C-N 3.25Å; T149-E151 PolarHBondContact O-N 3.21Å; E151-Y214 HydrophobicContact CB-CD2 4.47Å; E151-Y214 HydrophobicContact CB-CE2 3.99Å; E151-Y214 HydrophobicContact CG-CE2 4.34Å; E151-Y214 VanDerWaalsContact OE1-CE2 3.27Å; E151-Y214 WeakPolarHBondContact OE1-CE2 3.49Å; E151-Y214 PolarHBondContact OE1-OH 2.83Å; E151-M217 HydrophobicContact CB-CE 4.24Å; E151-K218 IonicContact OE2-NZ 2.82Å; E151-K218 PolarHBondContact OE2-NZ 2.98Å
152	L	96.7	Very high	95.8	Very high	19 Å²	19	75.4 Å²	75.4	10%	0.099	40%	0.404	C	S	.	.	S	Bend	trans	-84	144.4	-172	-80.7	169.9	0	0	0	112.4	F148 T149 T210 R213 M217	F148-L152 VanDerWaalsContact O-CG 3.28Å; F148-L152 WeakPolarHBondContact O-CG 3.48Å; F148-L152 PolarHBondContact O-N 2.91Å; T149-L152 PolarHBondContact O-N 3.36Å; T149-L152 VanDerWaalsContact O-N 3.13Å; L152-T210 HydrophobicContact CD1-CG2 3.87Å; L152-R213 HydrophobicContact CD1-CB 3.97Å; L152-R213 HydrophobicContact CD2-CB 3.84Å; L152-M217 HydrophobicContact CD2-CB 4.41Å; L152-M217 HydrophobicContact CD2-CE 4.31Å; L152-M217 HydrophobicContact CD2-SD 4.12Å
153	P	93.3	Very high	95.7	Very high	70 Å²	70	72.6 Å²	72.6	46%	0.455	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-63.8	143	167.8	27.3	-33.6	0	0	0	110.3	L155 R213	P153-L155 PolarHBondContact O-N 3.12Å; P153-R213 PolarHBondContact O-NH1 3.07Å; P153-R213 PolarHBondContact O-NH2 2.97Å
154	P	92.1	Very high	95.7	Very high	112 Å²	112	70.1 Å²	70.1	73%	0.727	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-51.7	132.2	179.2	-27.4	34	0	0	0	112.3	T156	P154-T156 PolarHBondContact O-N 3.14Å
155	L	91.3	Very high	95.6	Very high	80 Å²	80	75.3 Å²	75.3	42%	0.419	41%	0.406	S	S	.	.			trans	-80.6	100.3	176	-172.4	66.2	0	0	0	109.7	P153 N157 I159 F209	P153-L155 PolarHBondContact O-N 3.12Å; L155-N157 WeakPolarHBondContact CD1-O 3.24Å; L155-I159 HydrophobicContact CD1-CG2 3.9Å; L155-F209 HydrophobicContact CD2-CE1 3.9Å; L155-F209 HydrophobicContact CD2-CZ 3.83Å
156	T	88.4	Confident	95.6	Very high	118 Å²	118	74.3 Å²	74.3	72%	0.724	40%	0.401	S	S	*	.			trans	-95.6	-16.6	-179.6	53.7	0	0	0	0	113.5	P154	P154-T156 PolarHBondContact O-N 3.14Å
157	N	91.3	Very high	95.6	Very high	85 Å²	85	69.5 Å²	69.5	46%	0.455	38%	0.376	S	S	.	.	S	Bend	trans	-138.7	155.9	-175.5	-65.9	-79.8	0	0	0	111	L155 I159 I225	L155-N157 WeakPolarHBondContact CD1-O 3.24Å; N157-I159 PolarHBondContact O-N 3.43Å; N157-I225 HydrophobicContact CB-CG2 3.76Å
158	F	92	Very high	95.7	Very high	175 Å²	175	66.8 Å²	66.8	77%	0.768	37%	0.371	S	S	*	.			trans	-64	135.7	167.6	-72.5	-71.7	0	0	0	110.5	Y226	F158-Y226 WeakPolarHBondContact O-CB 3.48Å; F158-Y226 PolarHBondContact O-N 2.79Å
159	I	95.5	Very high	95.7	Very high	28 Å²	28	67.2 Å²	67.2	14%	0.144	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-106.3	145.6	177.1	58.6	169.5	0	0	0	110.7	L155 N157 F209 R213 E223 K224	L155-I159 HydrophobicContact CD1-CG2 3.9Å; N157-I159 PolarHBondContact O-N 3.43Å; I159-F209 HydrophobicContact CD1-CE2 3.86Å; I159-F209 HydrophobicContact CD1-CZ 3.85Å; I159-F209 HydrophobicContact CG1-CE2 4.07Å; I159-F209 HydrophobicContact CG1-CZ 4.1Å; I159-R213 HydrophobicContact CD1-CG 3.9Å; I159-E223 HydrophobicContact CB-CB 4.46Å; I159-E223 VanDerWaalsContact CD1-OE1 3.23Å; I159-E223 WeakPolarHBondContact CD1-OE1 3.13Å; I159-E223 HydrophobicContact CG2-CB 4.16Å; I159-K224 CarbonylContact C-O 3.59Å; I159-K224 WeakPolarHBondContact CA-O 3.32Å
160	L	96.7	Very high	95.7	Very high	72 Å²	72	63.8 Å²	63.8	38%	0.377	35%	0.353	S	S	.	.			trans	-79.2	142.5	166.6	-57.3	-179.4	0	0	0	108.9	S162 K224 Y226	L160-S162 WeakPolarHBondContact O-CB 3.42Å; L160-S162 PolarHBondContact O-N 2.98Å; L160-S162 PolarHBondContact O-OG 3.32Å; L160-K224 HydrophobicContact CB-CB 4.12Å; L160-K224 HydrophobicContact CD1-CB 4.02Å; L160-K224 HydrophobicContact CG-CB 4.32Å; L160-K224 PolarHBondContact N-O 2.92Å; L160-Y226 HydrophobicContact CD2-CD2 4.07Å
161	P	97.5	Very high	95.8	Very high	81 Å²	81	56.2 Å²	56.2	53%	0.526	32%	0.318	S	S	.	.	S	Bend	trans	-55	99.4	170.6	-27.8	37.3	0	0	0	111.7	H171	P161-H171 VanDerWaalsContact CA-CD2 3.5Å; P161-H171 WeakPolarHBondContact CA-CD2 3.3Å; P161-H171 HydrophobicContact CB-CB 3.8Å; P161-H171 HydrophobicContact CG-CB 4.48Å
162	S	96.8	Very high	95.9	Very high	19 Å²	19	57.2 Å²	57.2	13%	0.133	33%	0.326	C	S	.	.			trans	-154.5	-149.4	-171.2	57.2	0	0	0	0	109.7	L160 S167 K224	L160-S162 WeakPolarHBondContact O-CB 3.42Å; L160-S162 PolarHBondContact O-N 2.98Å; L160-S162 PolarHBondContact O-OG 3.32Å; S162-S167 WeakPolarHBondContact O-CB 3.36Å; S162-S167 PolarHBondContact O-OG 3.12Å; S162-K224 PolarHBondContact OG-N 3.47Å
163	G	95.8	Very high	96	Very high	5 Å²	5	56.3 Å²	56.3	5%	0.052	32%	0.321	C	S	.	.	S	Bend	trans	82.3	23.9	175.2	0	0	0	0	0	116.4	S167 K221	G163-S167 VanDerWaalsContact O-CB 3.27Å; G163-S167 WeakPolarHBondContact O-CB 3.19Å; G163-K221 VanDerWaalsContact C-CB 3.47Å; G163-K221 VanDerWaalsContact O-CB 3.26Å; G163-K221 WeakPolarHBondContact O-CB 3.37Å
164	G	97.6	Very high	96.3	Very high	31 Å²	31	55.4 Å²	55.4	32%	0.32	31%	0.308	S	S	.	.	H	α-helix	trans	94.6	-179.8	178.3	0	0	0	0	0	114	A168	G164-A168 WeakPolarHBondContact O-CB 3.5Å; G164-A168 PolarHBondContact O-N 3.24Å
165	K	98.4	Very high	96.6	Very high	150 Å²	150	53 Å²	53	65%	0.652	29%	0.292	S	S	*	.	H	α-helix	trans	-64.2	-48.2	-172.6	-68.8	-175.1	-179.7	-179.2	0	111.9	F90 A169	F90-K165 HydrophobicContact CD1-CB 3.91Å; F90-K165 HydrophobicContact CD1-CD 4.02Å; F90-K165 HydrophobicContact CE1-CB 4.26Å; F90-K165 HydrophobicContact CE1-CD 3.81Å; F90-K165 HydrophobicContact CG-CB 4.11Å; K165-A169 VanDerWaalsContact O-CB 3.27Å; K165-A169 WeakPolarHBondContact O-CB 3.42Å; K165-A169 PolarHBondContact O-N 2.77Å
166	S	98.6	Very high	97	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.007	27%	0.274	C	S	.	.	H	α-helix	trans	-60.3	-52.1	179.9	-39.9	0	0	0	0	111.3	F90 A169 L170 E219	F90-S166 PolarHBondContact O-OG 3.4Å; S166-A169 PolarHBondContact O-N 2.84Å; S166-L170 WeakPolarHBondContact O-CB 3.3Å; S166-L170 VanDerWaalsContact O-CG 3.28Å; S166-L170 WeakPolarHBondContact O-CG 3.39Å; S166-L170 PolarHBondContact O-N 3.39Å; S166-E219 WeakPolarHBondContact CB-OE1 3.48Å; S166-E219 PolarHBondContact OG-OE1 3.31Å
167	S	98.7	Very high	97.5	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.3	-45.7	179.5	-174.6	0	0	0	0	112.7	S162 G163 A169 L170 H171 A212	S162-S167 WeakPolarHBondContact O-CB 3.36Å; S162-S167 PolarHBondContact O-OG 3.12Å; G163-S167 VanDerWaalsContact O-CB 3.27Å; G163-S167 WeakPolarHBondContact O-CB 3.19Å; S167-A169 PolarHBondContact O-N 3.4Å; S167-L170 PolarHBondContact O-N 3.24Å; S167-H171 PolarHBondContact O-CD2 2.89Å; S167-H171 PolarHBondContact O-N 3.41Å; S167-A212 WeakPolarHBondContact CB-O 3.44Å; S167-A212 PolarHBondContact OG-O 3.25Å
168	A	98.6	Very high	97.9	Very high	42 Å²	42	44.9 Å²	44.9	35%	0.347	24%	0.237	S	C	.	.	H	α-helix	trans	-62.6	-40.8	177.4	0	0	0	0	0	112.3	G164 H171 L172	G164-A168 WeakPolarHBondContact O-CB 3.5Å; G164-A168 PolarHBondContact O-N 3.24Å; A168-H171 PolarHBondContact O-N 3.18Å; A168-L172 PolarHBondContact O-N 3.4Å
169	A	98.8	Very high	98.2	Very high	13 Å²	13	40 Å²	40	11%	0.107	21%	0.213	C	C	.	.	H	α-helix	trans	-66.6	-40.5	176.3	0	0	0	0	0	112.1	A87 F90 K165 S166 S167 H171 L172 A173	A87-A169 HydrophobicContact CB-CB 3.83Å; F90-A169 HydrophobicContact CD2-CB 3.78Å; F90-A169 HydrophobicContact CE2-CB 4.24Å; K165-A169 VanDerWaalsContact O-CB 3.27Å; K165-A169 WeakPolarHBondContact O-CB 3.42Å; K165-A169 PolarHBondContact O-N 2.77Å; S166-A169 PolarHBondContact O-N 2.84Å; S167-A169 PolarHBondContact O-N 3.4Å; A169-H171 VanDerWaalsContact C-N 3.34Å; A169-H171 PolarHBondContact O-N 2.89Å; A169-L172 WeakPolarHBondContact O-CB 3.23Å; A169-L172 PolarHBondContact O-N 3.29Å; A169-A173 PolarHBondContact O-N 3.36Å
170	L	98.9	Very high	98.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-38.9	174.2	-71.9	165.3	0	0	0	111.8	A87 F98 L102 S166 S167 L172 A173 R174 L208 V211 A212 A215	A87-L170 HydrophobicContact CB-CD2 3.9Å; A87-L170 HydrophobicContact CB-CG 4.14Å; F98-L170 HydrophobicContact CE2-CD1 4.11Å; F98-L170 HydrophobicContact CZ-CD1 4.12Å; L102-L170 HydrophobicContact CD1-CD2 4.21Å; L102-L170 HydrophobicContact CD2-CD2 4.29Å; S166-L170 WeakPolarHBondContact O-CB 3.3Å; S166-L170 VanDerWaalsContact O-CG 3.28Å; S166-L170 WeakPolarHBondContact O-CG 3.39Å; S166-L170 PolarHBondContact O-N 3.39Å; S167-L170 PolarHBondContact O-N 3.24Å; L170-L172 VanDerWaalsContact C-N 3.35Å; L170-A173 PolarHBondContact O-N 3.2Å; L170-R174 WeakPolarHBondContact O-CB 3.2Å; L170-R174 PolarHBondContact O-N 2.9Å; L170-L208 HydrophobicContact CD2-CD2 4.14Å; L170-V211 HydrophobicContact CD1-CB 4.47Å; L170-V211 HydrophobicContact CD1-CG2 4.06Å; L170-V211 HydrophobicContact CD2-CG2 3.96Å; L170-A212 HydrophobicContact CB-CB 3.66Å; L170-A212 HydrophobicContact CD1-CB 4.44Å; L170-A215 HydrophobicContact CD1-CB 4.05Å
171	H	98.8	Very high	98.4	Very high	3 Å²	3	36.9 Å²	36.9	1%	0.014	20%	0.196	C	C	.	.	H	α-helix	trans	-66.4	-34.8	172.3	-77.6	-46.4	0	0	0	113.2	P161 S167 A168 A169 R174 T175 F209	P161-H171 VanDerWaalsContact CA-CD2 3.5Å; P161-H171 WeakPolarHBondContact CA-CD2 3.3Å; P161-H171 HydrophobicContact CB-CB 3.8Å; P161-H171 HydrophobicContact CG-CB 4.48Å; S167-H171 PolarHBondContact O-CD2 2.89Å; S167-H171 PolarHBondContact O-N 3.41Å; A168-H171 PolarHBondContact O-N 3.18Å; A169-H171 VanDerWaalsContact C-N 3.34Å; A169-H171 PolarHBondContact O-N 2.89Å; H171-R174 WeakPolarHBondContact O-CB 3.18Å; H171-R174 PolarHBondContact O-N 3.46Å; H171-T175 WeakPolarHBondContact O-CG2 3.38Å; H171-T175 PolarHBondContact O-N 3.04Å; H171-T175 VanDerWaalsContact O-N 3.16Å; H171-F209 AromaticContact CE1-CD2 3.68Å; H171-F209 AromaticContact CE1-CE2 3.86Å
172	L	98.9	Very high	98.5	Very high	98 Å²	98	40.1 Å²	40.1	51%	0.513	20%	0.198	S	C	.	.	H	α-helix	trans	-62	-52.5	171.3	177.5	64.2	0	0	0	109.9	A168 A169 L170 R174 T175 V176	A168-L172 PolarHBondContact O-N 3.4Å; A169-L172 WeakPolarHBondContact O-CB 3.23Å; A169-L172 PolarHBondContact O-N 3.29Å; L170-L172 VanDerWaalsContact C-N 3.35Å; L172-R174 VanDerWaalsContact C-N 3.26Å; L172-R174 PolarHBondContact O-N 2.79Å; L172-T175 PolarHBondContact O-N 2.98Å; L172-T175 PolarHBondContact O-OG1 3.13Å; L172-V176 WeakPolarHBondContact O-CG2 3.31Å; L172-V176 PolarHBondContact O-N 3.03Å
173	A	98.9	Very high	98.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-54.3	-41.9	176.3	0	0	0	0	0	111.9	L80 A83 I84 A169 L170 T175 V176 C177 L208	L80-A173 WeakPolarHBondContact CD1-O 3.33Å; A83-A173 HydrophobicContact CB-CB 4.16Å; I84-A173 HydrophobicContact CG1-CB 4.05Å; A169-A173 PolarHBondContact O-N 3.36Å; L170-A173 PolarHBondContact O-N 3.2Å; A173-T175 VanDerWaalsContact C-N 3.33Å; A173-T175 PolarHBondContact O-N 3.12Å; A173-V176 PolarHBondContact O-N 3.4Å; A173-C177 WeakPolarHBondContact O-CB 3.44Å; A173-C177 PolarHBondContact O-N 3.28Å; A173-L208 HydrophobicContact CB-CD1 4.28Å; A173-L208 HydrophobicContact CB-CD2 4.39Å
174	R	98.9	Very high	98.7	Very high	51 Å²	51	39.6 Å²	39.6	19%	0.192	19%	0.193	C	C	.	.	H	α-helix	trans	-55.9	-44.3	173.6	177.2	-171.9	68.2	83.9	3	112.5	L170 H171 L172 C177 R178 S205 L208	L170-R174 WeakPolarHBondContact O-CB 3.2Å; L170-R174 PolarHBondContact O-N 2.9Å; H171-R174 WeakPolarHBondContact O-CB 3.18Å; H171-R174 PolarHBondContact O-N 3.46Å; L172-R174 VanDerWaalsContact C-N 3.26Å; L172-R174 PolarHBondContact O-N 2.79Å; R174-C177 WeakPolarHBondContact O-CB 3.13Å; R174-C177 PolarHBondContact O-N 3.49Å; R174-R178 WeakPolarHBondContact O-CG 3.3Å; R174-R178 PolarHBondContact O-N 3.45Å; R174-R178 VanDerWaalsContact O-N 3.09Å; R174-S205 WeakPolarHBondContact CG-O 3.47Å; R174-L208 HydrophobicContact CB-CB 3.84Å; R174-L208 HydrophobicContact CG-CB 4.45Å
175	T	98.9	Very high	98.8	Very high	62 Å²	62	39.4 Å²	39.4	38%	0.38	19%	0.189	S	C	.	.	H	α-helix	trans	-70.4	-35.7	179.4	61.1	0	0	0	0	112.7	H171 L172 A173 C177 R178 R179	H171-T175 WeakPolarHBondContact O-CG2 3.38Å; H171-T175 PolarHBondContact O-N 3.04Å; H171-T175 VanDerWaalsContact O-N 3.16Å; L172-T175 PolarHBondContact O-N 2.98Å; L172-T175 PolarHBondContact O-OG1 3.13Å; A173-T175 VanDerWaalsContact C-N 3.33Å; A173-T175 PolarHBondContact O-N 3.12Å; T175-C177 VanDerWaalsContact C-N 3.33Å; T175-R178 PolarHBondContact O-N 3.24Å; T175-R179 PolarHBondContact O-N 2.87Å; T175-R179 VanDerWaalsContact O-N 3.12Å
176	V	98.9	Very high	98.8	Very high	8 Å²	8	35.1 Å²	35.1	5%	0.048	18%	0.176	C	C	.	.	H	α-helix	trans	-64.8	-39.7	171.9	-178.3	0	0	0	0	110.2	E79 L80 A83 L172 A173 R178 R179 A180	E79-V176 HydrophobicContact CB-CG1 4.33Å; E79-V176 HydrophobicContact CG-CG1 4.24Å; L80-V176 HydrophobicContact CB-CG1 3.94Å; L80-V176 HydrophobicContact CD1-CB 4.44Å; A83-V176 HydrophobicContact CB-CG2 4.38Å; L172-V176 WeakPolarHBondContact O-CG2 3.31Å; L172-V176 PolarHBondContact O-N 3.03Å; A173-V176 PolarHBondContact O-N 3.4Å; V176-R178 VanDerWaalsContact C-N 3.34Å; V176-R178 PolarHBondContact O-N 2.99Å; V176-R179 WeakPolarHBondContact O-CA 3.32Å; V176-R179 WeakPolarHBondContact O-CB 3.43Å; V176-R179 PolarHBondContact O-N 3.02Å; V176-A180 PolarHBondContact O-N 3.03Å
177	C	98.9	Very high	98.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.3	-46.6	175.9	-170.4	0	0	0	0	111.5	L80 A173 R174 T175 R179 A180 E181 L201 L208	L80-C177 HydrophobicContact CD1-CB 3.6Å; L80-C177 HydrophobicContact CD2-CB 3.9Å; L80-C177 HydrophobicContact CG-CB 4.37Å; A173-C177 WeakPolarHBondContact O-CB 3.44Å; A173-C177 PolarHBondContact O-N 3.28Å; R174-C177 WeakPolarHBondContact O-CB 3.13Å; R174-C177 PolarHBondContact O-N 3.49Å; T175-C177 VanDerWaalsContact C-N 3.33Å; C177-R179 PolarHBondContact O-N 3.37Å; C177-A180 WeakPolarHBondContact O-CB 3.5Å; C177-A180 PolarHBondContact O-N 2.94Å; C177-E181 WeakPolarHBondContact O-CB 3.39Å; C177-E181 PolarHBondContact O-N 3.41Å; C177-L201 PolarHBondContact SG-O 2.71Å; C177-L208 HydrophobicContact CB-CD1 3.95Å
178	R	98.9	Very high	98.7	Very high	104 Å²	104	36.4 Å²	36.4	39%	0.392	18%	0.184	S	C	.	.	H	α-helix	trans	-64.6	-28.3	175.6	-66.3	178.6	66.8	73	2.3	112.6	R174 T175 V176 R182	R174-R178 WeakPolarHBondContact O-CG 3.3Å; R174-R178 PolarHBondContact O-N 3.45Å; R174-R178 VanDerWaalsContact O-N 3.09Å; T175-R178 PolarHBondContact O-N 3.24Å; V176-R178 VanDerWaalsContact C-N 3.34Å; V176-R178 PolarHBondContact O-N 2.99Å; R178-R182 VanDerWaalsContact C-NH1 3.26Å; R178-R182 WeakPolarHBondContact O-CG 3.29Å; R178-R182 PolarHBondContact O-N 2.82Å; R178-R182 PolarHBondContact O-NH1 3Å
179	R	98.9	Very high	98.7	Very high	72 Å²	72	43.5 Å²	43.5	27%	0.272	20%	0.202	S	C	.	.	H	α-helix	trans	-71.7	-45.6	172.6	176	165.3	48	94.6	-4.9	111.1	N76 E79 T175 V176 C177 E181 R182 S183	N76-R179 PolarHBondContact OD1-NH1 3.3Å; E79-R179 IonicContact OE1-CZ 3.79Å; E79-R179 IonicContact OE1-NH2 2.71Å; E79-R179 PolarHBondContact OE1-NH2 3.12Å; E79-R179 IonicContact OE2-CZ 3.77Å; E79-R179 IonicContact OE2-NH1 3.85Å; E79-R179 PolarHBondContact OE2-NH1 2.89Å; E79-R179 IonicContact OE2-NH2 3.16Å; E79-R179 PolarHBondContact OE2-NH2 2.85Å; T175-R179 PolarHBondContact O-N 2.87Å; T175-R179 VanDerWaalsContact O-N 3.12Å; V176-R179 WeakPolarHBondContact O-CA 3.32Å; V176-R179 WeakPolarHBondContact O-CB 3.43Å; V176-R179 PolarHBondContact O-N 3.02Å; C177-R179 PolarHBondContact O-N 3.37Å; R179-E181 VanDerWaalsContact C-N 3.31Å; R179-E181 PolarHBondContact O-N 2.99Å; R179-R182 PolarHBondContact O-N 3Å; R179-R182 VanDerWaalsContact O-N 3.14Å; R179-S183 PolarHBondContact O-N 3.38Å; R179-S183 VanDerWaalsContact O-N 3.12Å; R179-S183 PolarHBondContact O-OG 3.02Å
180	A	98.8	Very high	98.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57	-44.8	173.6	0	0	0	0	0	111.8	N76 L80 V176 C177 R182 S183 V184 L201	N76-A180 HydrophobicContact CB-CB 4.03Å; L80-A180 HydrophobicContact CD2-CB 4.49Å; V176-A180 PolarHBondContact O-N 3.03Å; C177-A180 WeakPolarHBondContact O-CB 3.5Å; C177-A180 PolarHBondContact O-N 2.94Å; A180-R182 VanDerWaalsContact C-N 3.33Å; A180-R182 PolarHBondContact O-N 3.47Å; A180-S183 WeakPolarHBondContact CA-OG 3.24Å; A180-S183 PolarHBondContact O-N 2.93Å; A180-S183 PolarHBondContact O-OG 2.78Å; A180-V184 WeakPolarHBondContact O-CB 3.33Å; A180-V184 VanDerWaalsContact O-CG2 3.3Å; A180-V184 WeakPolarHBondContact O-CG2 3.4Å; A180-V184 PolarHBondContact O-N 3.19Å; A180-L201 HydrophobicContact CB-CD1 4.47Å
181	E	98.8	Very high	98.6	Very high	34 Å²	34	48.6 Å²	48.6	16%	0.159	24%	0.243	C	C	.	.	H	α-helix	trans	-54	-47.3	173.9	-178	-170.1	-164.6	0	0	111.8	C177 R179 S183 V184 A185 L201 N202	C177-E181 WeakPolarHBondContact O-CB 3.39Å; C177-E181 PolarHBondContact O-N 3.41Å; R179-E181 VanDerWaalsContact C-N 3.31Å; R179-E181 PolarHBondContact O-N 2.99Å; E181-S183 PolarHBondContact O-N 3.22Å; E181-V184 PolarHBondContact O-N 3.43Å; E181-A185 WeakPolarHBondContact O-CB 3.48Å; E181-A185 PolarHBondContact O-N 3.26Å; E181-L201 HydrophobicContact CB-CB 4.14Å; E181-N202 WeakPolarHBondContact OE1-CB 3.33Å; E181-N202 PolarHBondContact OE1-ND2 2.93Å
182	R	98.8	Very high	98.5	Very high	150 Å²	150	50 Å²	50	57%	0.566	25%	0.25	S	C	*	.	H	α-helix	trans	-63.9	-36.7	179.3	-73.3	-171.5	-52.4	-84.6	8.5	113.1	R178 R179 A180 P186	R178-R182 VanDerWaalsContact C-NH1 3.26Å; R178-R182 WeakPolarHBondContact O-CG 3.29Å; R178-R182 PolarHBondContact O-N 2.82Å; R178-R182 PolarHBondContact O-NH1 3Å; R179-R182 PolarHBondContact O-N 3Å; R179-R182 VanDerWaalsContact O-N 3.14Å; A180-R182 VanDerWaalsContact C-N 3.33Å; A180-R182 PolarHBondContact O-N 3.47Å; R182-P186 WeakPolarHBondContact O-CD 3.4Å
183	S	98.8	Very high	98.5	Very high	13 Å²	13	45.6 Å²	45.6	9%	0.091	23%	0.227	C	C	.	.	H	α-helix	trans	-73.5	-30.4	175	48.4	0	0	0	0	113.2	N76 R179 A180 E181	N76-S183 VanDerWaalsContact ND2-CB 3.27Å; N76-S183 WeakPolarHBondContact ND2-CB 3.38Å; N76-S183 PolarHBondContact ND2-OG 3.45Å; R179-S183 PolarHBondContact O-N 3.38Å; R179-S183 VanDerWaalsContact O-N 3.12Å; R179-S183 PolarHBondContact O-OG 3.02Å; A180-S183 WeakPolarHBondContact CA-OG 3.24Å; A180-S183 PolarHBondContact O-N 2.93Å; A180-S183 PolarHBondContact O-OG 2.78Å; E181-S183 PolarHBondContact O-N 3.22Å
184	V	98.8	Very high	98.4	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-80.6	-34	179.9	170.2	0	0	0	0	112.2	A73 I116 A180 E181 I187 V188 V197 L201	A73-V184 HydrophobicContact CB-CG2 3.91Å; I116-V184 HydrophobicContact CD1-CG2 3.53Å; I116-V184 HydrophobicContact CG1-CG2 4.31Å; A180-V184 WeakPolarHBondContact O-CB 3.33Å; A180-V184 VanDerWaalsContact O-CG2 3.3Å; A180-V184 WeakPolarHBondContact O-CG2 3.4Å; A180-V184 PolarHBondContact O-N 3.19Å; E181-V184 PolarHBondContact O-N 3.43Å; V184-I187 WeakPolarHBondContact O-CB 3.33Å; V184-I187 PolarHBondContact O-N 3.43Å; V184-V188 HydrophobicContact CG1-CG2 3.91Å; V184-V188 PolarHBondContact O-N 2.88Å; V184-V197 HydrophobicContact CG1-CG1 3.94Å; V184-L201 HydrophobicContact CB-CD1 4.05Å; V184-L201 HydrophobicContact CG1-CD1 4.3Å; V184-L201 HydrophobicContact CG2-CD1 3.82Å
185	A	98.3	Very high	98.4	Very high	27 Å²	27	48 Å²	48	22%	0.223	25%	0.248	C	C	.	.	H	α-helix	trans	-55.3	-41.3	-174.3	0	0	0	0	0	114.6	E181 R189	E181-A185 WeakPolarHBondContact O-CB 3.48Å; E181-A185 PolarHBondContact O-N 3.26Å; A185-R189 WeakPolarHBondContact O-CB 3.46Å; A185-R189 PolarHBondContact O-N 3.37Å
186	P	98.4	Very high	98.3	Very high	59 Å²	59	46.7 Å²	46.7	38%	0.383	24%	0.239	S	C	.	.	H	α-helix	trans	-61.7	-40.5	173.5	-23.3	34	0	0	0	113.7	R182 R189 S190	R182-P186 WeakPolarHBondContact O-CD 3.4Å; P186-R189 PolarHBondContact O-N 2.88Å; P186-S190 PolarHBondContact O-N 2.87Å; P186-S190 PolarHBondContact O-OG 2.79Å
187	I	98.4	Very high	98.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-42.6	179.9	-58.7	167	0	0	0	110.3	I70 A73 I116 V184 S190 G191 E192 A193	I70-I187 HydrophobicContact CD1-CD1 3.92Å; I70-I187 HydrophobicContact CD1-CG1 4.13Å; I70-I187 HydrophobicContact CD1-CG2 3.83Å; A73-I187 HydrophobicContact CB-CD1 3.39Å; I116-I187 HydrophobicContact CG2-CD1 4.09Å; V184-I187 WeakPolarHBondContact O-CB 3.33Å; V184-I187 PolarHBondContact O-N 3.43Å; I187-S190 PolarHBondContact O-N 3.02Å; I187-S190 PolarHBondContact O-OG 2.88Å; I187-G191 PolarHBondContact O-N 3.4Å; I187-E192 HydrophobicContact CG2-CB 3.65Å; I187-E192 PolarHBondContact O-N 2.85Å; I187-A193 HydrophobicContact CG2-CB 3.71Å
188	V	98.3	Very high	98.3	Very high	28 Å²	28	47.3 Å²	47.3	17%	0.17	25%	0.245	C	C	.	.	H	α-helix	trans	-65.6	-43.7	174.7	167	0	0	0	0	111	V184 S190 G191 A193 P195 A198	V184-V188 HydrophobicContact CG1-CG2 3.91Å; V184-V188 PolarHBondContact O-N 2.88Å; V188-S190 VanDerWaalsContact C-N 3.28Å; V188-S190 PolarHBondContact O-N 3.23Å; V188-G191 PolarHBondContact O-N 3.43Å; V188-A193 HydrophobicContact CG2-CB 4Å; V188-P195 HydrophobicContact CG1-CB 4.17Å; V188-A198 HydrophobicContact CB-CB 4.38Å; V188-A198 HydrophobicContact CG1-CB 4.35Å; V188-A198 HydrophobicContact CG2-CB 4Å
189	R	97.8	Very high	98.3	Very high	192 Å²	192	47.6 Å²	47.6	73%	0.725	25%	0.249	S	C	*	.	H	α-helix	trans	-60.7	-35.4	177.8	-107.7	-167.5	-54	-90.1	-6	113.1	A185 P186 G191	A185-R189 WeakPolarHBondContact O-CB 3.46Å; A185-R189 PolarHBondContact O-N 3.37Å; P186-R189 PolarHBondContact O-N 2.88Å; R189-G191 PolarHBondContact O-N 3.4Å
190	S	97.8	Very high	98.3	Very high	75 Å²	75	44.1 Å²	44.1	52%	0.524	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-3.6	176.7	64.4	0	0	0	0	113.2	P186 I187 V188 E192	P186-S190 PolarHBondContact O-N 2.87Å; P186-S190 PolarHBondContact O-OG 2.79Å; I187-S190 PolarHBondContact O-N 3.02Å; I187-S190 PolarHBondContact O-OG 2.88Å; V188-S190 VanDerWaalsContact C-N 3.28Å; V188-S190 PolarHBondContact O-N 3.23Å; S190-E192 VanDerWaalsContact C-N 3.33Å; S190-E192 WeakPolarHBondContact OG-CG 3.48Å
191	G	97.4	Very high	98.3	Very high	44 Å²	44	44.1 Å²	44.1	45%	0.454	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	14.5	-178.3	0	0	0	0	0	114.2	R120 I187 V188 R189	R120-G191 VanDerWaalsContact CB-O 3.32Å; R120-G191 WeakPolarHBondContact CB-O 3.33Å; R120-G191 WeakPolarHBondContact CG-O 3.02Å; I187-G191 PolarHBondContact O-N 3.4Å; V188-G191 PolarHBondContact O-N 3.43Å; R189-G191 PolarHBondContact O-N 3.4Å
192	E	97.6	Very high	98.3	Very high	33 Å²	33	45.5 Å²	45.5	15%	0.154	24%	0.244	C	C	.	.	S	Bend	trans	-84.8	-14.5	-178.1	-69.6	-69.4	-175.9	0	0	113.5	P119 R120 S121 I187 S190	P119-E192 WeakPolarHBondContact CA-O 3.22Å; P119-E192 WeakPolarHBondContact CA-OE2 3.42Å; P119-E192 VanDerWaalsContact CB-OE2 3.24Å; P119-E192 WeakPolarHBondContact CB-OE2 3.43Å; R120-E192 WeakPolarHBondContact CG-O 3.45Å; R120-E192 PolarHBondContact N-O 3.06Å; R120-E192 PolarHBondContact N-OE2 2.83Å; S121-E192 WeakPolarHBondContact CB-OE1 3.39Å; S121-E192 PolarHBondContact N-OE2 2.76Å; S121-E192 PolarHBondContact OG-OE1 3.22Å; S121-E192 PolarHBondContact OG-OE2 3.5Å; I187-E192 HydrophobicContact CG2-CB 3.65Å; I187-E192 PolarHBondContact O-N 2.85Å; S190-E192 VanDerWaalsContact C-N 3.33Å; S190-E192 WeakPolarHBondContact OG-CG 3.48Å
193	A	97.8	Very high	98.3	Very high	5 Å²	5	41.9 Å²	41.9	4%	0.041	23%	0.23	C	C	.	.	S	Bend	trans	-137.7	163	176.1	0	0	0	0	0	111.1	N115 I187 V188	N115-A193 WeakPolarHBondContact OD1-CB 3.36Å; I187-A193 HydrophobicContact CG2-CB 3.71Å; V188-A193 HydrophobicContact CG2-CB 4Å
194	D	97.8	Very high	98.3	Very high	29 Å²	29	41.3 Å²	41.3	16%	0.155	23%	0.226	C	C	.	.			trans	-68.8	139.4	179.1	-69.6	-19.9	0	0	0	111.3	N115 R120 F133 D196 V197	N115-D194 PolarHBondContact ND2-OD2 3.46Å; N115-D194 PolarHBondContact OD1-N 3.31Å; R120-D194 IonicContact CZ-OD1 2.92Å; R120-D194 IonicContact NE-OD1 3.35Å; R120-D194 PolarHBondContact NE-OD1 3.33Å; R120-D194 IonicContact NH2-OD1 2.7Å; R120-D194 PolarHBondContact NH2-OD1 2.98Å; R120-D194 IonicContact NH2-OD2 2.83Å; R120-D194 PolarHBondContact NH2-OD2 3.41Å; F133-D194 HydrophobicContact CB-CB 4.21Å; F133-D194 PolarHBondContact N-OD2 2.95Å; D194-D196 PolarHBondContact O-N 3.21Å; D194-V197 HydrophobicContact CB-CG2 4.3Å; D194-V197 WeakPolarHBondContact O-CB 3.3Å; D194-V197 PolarHBondContact O-N 3.32Å; D194-V197 VanDerWaalsContact O-N 3.11Å
195	P	97.8	Very high	98.3	Very high	73 Å²	73	41.4 Å²	41.4	47%	0.474	23%	0.227	S	C	.	.	H	α-helix	trans	-62.7	-26.9	-178.9	25.7	-34.7	0	0	0	113.5	V188 V197 A198 K199	V188-P195 HydrophobicContact CG1-CB 4.17Å; P195-V197 PolarHBondContact O-N 3.12Å; P195-A198 PolarHBondContact O-N 3Å; P195-K199 PolarHBondContact O-N 3.4Å
196	D	98.4	Very high	98.3	Very high	35 Å²	35	43 Å²	43	19%	0.187	23%	0.232	C	C	.	.	H	α-helix	trans	-70	-19.5	-179.8	-65	-26	0	0	0	112.6	F133 I138 D194 K199 F200	F133-D196 HydrophobicContact CD1-CB 3.87Å; F133-D196 HydrophobicContact CE1-CB 4.45Å; I138-D196 HydrophobicContact CD1-CB 3.99Å; D194-D196 PolarHBondContact O-N 3.21Å; D196-K199 PolarHBondContact O-N 3.34Å; D196-K199 WeakPolarHBondContact OD1-CD 3.34Å; D196-K199 WeakPolarHBondContact OD1-CE 3.5Å; D196-K199 IonicContact OD1-NZ 2.78Å; D196-K199 PolarHBondContact OD1-NZ 3.02Å; D196-F200 WeakPolarHBondContact O-CB 3.24Å; D196-F200 PolarHBondContact O-N 2.88Å
197	V	98.3	Very high	98.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.7	-47.4	172.6	177.7	0	0	0	0	111	V112 N115 I116 F133 V184 D194 P195 F200 L201	V112-V197 HydrophobicContact CB-CG1 4.3Å; V112-V197 HydrophobicContact CG1-CG1 3.51Å; V112-V197 HydrophobicContact CG2-CG1 4.21Å; N115-V197 HydrophobicContact CB-CG2 4.01Å; N115-V197 WeakPolarHBondContact OD1-CG2 3.44Å; I116-V197 HydrophobicContact CD1-CG1 4.38Å; I116-V197 HydrophobicContact CG1-CG1 4.41Å; F133-V197 HydrophobicContact CB-CG2 3.93Å; F133-V197 HydrophobicContact CD1-CG2 4.12Å; F133-V197 HydrophobicContact CD2-CG2 4.22Å; F133-V197 HydrophobicContact CG-CG2 3.82Å; V184-V197 HydrophobicContact CG1-CG1 3.94Å; D194-V197 HydrophobicContact CB-CG2 4.3Å; D194-V197 WeakPolarHBondContact O-CB 3.3Å; D194-V197 PolarHBondContact O-N 3.32Å; D194-V197 VanDerWaalsContact O-N 3.11Å; P195-V197 PolarHBondContact O-N 3.12Å; V197-F200 PolarHBondContact O-N 3.36Å; V197-L201 PolarHBondContact O-N 3.39Å; V197-L201 VanDerWaalsContact O-N 3.12Å
198	A	98.3	Very high	98.4	Very high	20 Å²	20	40.2 Å²	40.2	17%	0.165	21%	0.214	C	C	.	.	H	α-helix	trans	-66.5	-39.2	178	0	0	0	0	0	111.5	V188 P195 F200 L201 N202	V188-A198 HydrophobicContact CB-CB 4.38Å; V188-A198 HydrophobicContact CG1-CB 4.35Å; V188-A198 HydrophobicContact CG2-CB 4Å; P195-A198 PolarHBondContact O-N 3Å; A198-F200 VanDerWaalsContact C-N 3.35Å; A198-F200 PolarHBondContact O-N 3.01Å; A198-L201 PolarHBondContact O-N 3.35Å; A198-N202 WeakPolarHBondContact O-CB 3.27Å; A198-N202 PolarHBondContact O-N 3Å
199	K	98.7	Very high	98.4	Very high	110 Å²	110	41.5 Å²	41.5	48%	0.478	22%	0.217	S	C	.	.	H	α-helix	trans	-62.1	-41.6	175.1	-63.9	178.7	-164.3	159.7	0	112	I138 P195 D196 N202 R203	I138-K199 HydrophobicContact CD1-CB 3.76Å; I138-K199 HydrophobicContact CD1-CD 4.38Å; P195-K199 PolarHBondContact O-N 3.4Å; D196-K199 PolarHBondContact O-N 3.34Å; D196-K199 WeakPolarHBondContact OD1-CD 3.34Å; D196-K199 WeakPolarHBondContact OD1-CE 3.5Å; D196-K199 IonicContact OD1-NZ 2.78Å; D196-K199 PolarHBondContact OD1-NZ 3.02Å; K199-N202 WeakPolarHBondContact O-CB 3.47Å; K199-N202 PolarHBondContact O-N 2.92Å; K199-R203 PolarHBondContact O-N 3.49Å
200	F	98.9	Very high	98.4	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.3	-48.5	176.2	174.2	-98.7	0	0	0	111.8	I108 L109 V112 F133 P137 I138 L141 D196 V197 A198 N202 R203 L204	I108-F200 HydrophobicContact CB-CZ 4Å; I108-F200 HydrophobicContact CD1-CE2 4.42Å; I108-F200 HydrophobicContact CD1-CZ 4.48Å; I108-F200 HydrophobicContact CG2-CD1 4.33Å; I108-F200 HydrophobicContact CG2-CD2 4.3Å; I108-F200 HydrophobicContact CG2-CE1 3.73Å; I108-F200 HydrophobicContact CG2-CE2 3.69Å; I108-F200 HydrophobicContact CG2-CZ 3.37Å; L109-F200 HydrophobicContact CD2-CE1 4Å; V112-F200 HydrophobicContact CG2-CD1 3.84Å; V112-F200 HydrophobicContact CG2-CE1 4.17Å; F133-F200 HydrophobicContact CE1-CB 3.81Å; F133-F200 HydrophobicContact CE1-CG 4.26Å; F133-F200 HydrophobicContact CZ-CB 3.91Å; F133-F200 HydrophobicContact CZ-CD1 4.21Å; F133-F200 HydrophobicContact CZ-CD2 4.28Å; F133-F200 AromaticContact CZ-CG 3.86Å; F133-F200 HydrophobicContact CZ-CG 3.86Å; P137-F200 HydrophobicContact CB-CD2 3.7Å; P137-F200 HydrophobicContact CB-CE2 3.64Å; I138-F200 HydrophobicContact CG1-CB 4.04Å; L141-F200 HydrophobicContact CD1-CD2 3.57Å; L141-F200 HydrophobicContact CD1-CE2 3.4Å; L141-F200 HydrophobicContact CD1-CG 4.49Å; L141-F200 HydrophobicContact CD1-CZ 4.2Å; L141-F200 HydrophobicContact CG-CE2 4.14Å; D196-F200 WeakPolarHBondContact O-CB 3.24Å; D196-F200 PolarHBondContact O-N 2.88Å; V197-F200 PolarHBondContact O-N 3.36Å; A198-F200 VanDerWaalsContact C-N 3.35Å; A198-F200 PolarHBondContact O-N 3.01Å; F200-N202 VanDerWaalsContact C-N 3.31Å; F200-N202 PolarHBondContact O-N 3.43Å; F200-R203 PolarHBondContact O-N 3.1Å; F200-L204 HydrophobicContact CE1-CD2 3.93Å; F200-L204 HydrophobicContact CZ-CD2 4.24Å; F200-L204 VanDerWaalsContact O-CB 3.24Å; F200-L204 WeakPolarHBondContact O-CB 3.24Å; F200-L204 PolarHBondContact O-N 3.02Å
201	L	98.8	Very high	98.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.3	-37.1	178.3	-68.8	174.4	0	0	0	112.7	L80 L109 C177 A180 E181 V184 V197 A198 S205	L80-L201 HydrophobicContact CD2-CD2 3.96Å; L109-L201 HydrophobicContact CD2-CD2 3.93Å; C177-L201 PolarHBondContact SG-O 2.71Å; A180-L201 HydrophobicContact CB-CD1 4.47Å; E181-L201 HydrophobicContact CB-CB 4.14Å; V184-L201 HydrophobicContact CB-CD1 4.05Å; V184-L201 HydrophobicContact CG1-CD1 4.3Å; V184-L201 HydrophobicContact CG2-CD1 3.82Å; V197-L201 PolarHBondContact O-N 3.39Å; V197-L201 VanDerWaalsContact O-N 3.12Å; A198-L201 PolarHBondContact O-N 3.35Å; L201-S205 PolarHBondContact O-N 3.12Å
202	N	98.8	Very high	98.5	Very high	62 Å²	62	27.3 Å²	27.3	33%	0.332	14%	0.14	S	C	.	.	H	α-helix	trans	-59.2	-53.7	174.3	-177	-106.8	0	0	0	110.7	E181 A198 K199 F200 L204 S205	E181-N202 WeakPolarHBondContact OE1-CB 3.33Å; E181-N202 PolarHBondContact OE1-ND2 2.93Å; A198-N202 WeakPolarHBondContact O-CB 3.27Å; A198-N202 PolarHBondContact O-N 3Å; K199-N202 WeakPolarHBondContact O-CB 3.47Å; K199-N202 PolarHBondContact O-N 2.92Å; F200-N202 VanDerWaalsContact C-N 3.31Å; F200-N202 PolarHBondContact O-N 3.43Å; N202-L204 PolarHBondContact O-N 3.29Å; N202-S205 PolarHBondContact O-N 2.95Å; N202-S205 PolarHBondContact O-OG 2.75Å
203	R	98.9	Very high	98.6	Very high	75 Å²	75	26.8 Å²	26.8	28%	0.283	14%	0.136	S	C	.	.	H	α-helix	trans	-67.3	-33.9	-179.9	-165.4	64.4	67.9	-149.4	9.8	113.2	L141 E142 I145 K199 F200 S205 D206 Y207	L141-R203 HydrophobicContact CB-CG 3.78Å; L141-R203 HydrophobicContact CD1-CB 4.11Å; L141-R203 HydrophobicContact CD1-CG 4.22Å; E142-R203 HydrophobicContact CG-CG 3.92Å; E142-R203 IonicContact OE1-CZ 3.87Å; E142-R203 IonicContact OE1-NE 3.78Å; E142-R203 PolarHBondContact OE1-NE 3.47Å; E142-R203 IonicContact OE1-NH2 3.33Å; E142-R203 PolarHBondContact OE1-NH2 3.14Å; I145-R203 HydrophobicContact CD1-CG 3.99Å; K199-R203 PolarHBondContact O-N 3.49Å; F200-R203 PolarHBondContact O-N 3.1Å; R203-S205 PolarHBondContact O-N 2.86Å; R203-D206 IonicContact NH1-OD2 3.23Å; R203-D206 PolarHBondContact NH1-OD2 3.23Å; R203-D206 VanDerWaalsContact NH1-OD2 3.1Å; R203-D206 WeakPolarHBondContact O-CB 3.08Å; R203-D206 PolarHBondContact O-N 3.27Å; R203-D206 VanDerWaalsContact O-N 3.13Å; R203-Y207 PolarHBondContact O-N 3.02Å
204	L	98.9	Very high	98.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.4	-35.3	175.8	176.4	58.5	0	0	0	111.2	L80 I84 I105 L109 L141 F200 N202 D206 Y207 L208	L80-L204 HydrophobicContact CD2-CD2 3.98Å; I84-L204 HydrophobicContact CD1-CD2 4.4Å; I105-L204 HydrophobicContact CD1-CD1 3.76Å; I105-L204 HydrophobicContact CG1-CD1 4.2Å; I105-L204 HydrophobicContact CG2-CD1 3.7Å; I105-L204 HydrophobicContact CG2-CD2 3.84Å; I105-L204 HydrophobicContact CG2-CG 4.45Å; L109-L204 HydrophobicContact CD2-CD2 4.1Å; L141-L204 HydrophobicContact CD1-CB 4Å; L141-L204 HydrophobicContact CD2-CD1 4.11Å; F200-L204 HydrophobicContact CE1-CD2 3.93Å; F200-L204 HydrophobicContact CZ-CD2 4.24Å; F200-L204 VanDerWaalsContact O-CB 3.24Å; F200-L204 WeakPolarHBondContact O-CB 3.24Å; F200-L204 PolarHBondContact O-N 3.02Å; N202-L204 PolarHBondContact O-N 3.29Å; L204-D206 VanDerWaalsContact C-N 3.3Å; L204-D206 PolarHBondContact O-N 3.09Å; L204-Y207 HydrophobicContact CD1-CD1 4.04Å; L204-Y207 PolarHBondContact O-N 3.44Å; L204-L208 HydrophobicContact CD1-CD1 4.21Å; L204-L208 HydrophobicContact CD1-CG 4.06Å; L204-L208 HydrophobicContact CG-CD1 4.03Å; L204-L208 HydrophobicContact CG-CG 4.36Å; L204-L208 WeakPolarHBondContact O-CB 3.39Å; L204-L208 VanDerWaalsContact O-CG 3.26Å; L204-L208 WeakPolarHBondContact O-CG 3.43Å; L204-L208 PolarHBondContact O-N 2.69Å
205	S	98.9	Very high	98.6	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-66.1	-33.4	176	82.4	0	0	0	0	112.6	R174 L201 N202 R203 F209	R174-S205 WeakPolarHBondContact CG-O 3.47Å; L201-S205 PolarHBondContact O-N 3.12Å; N202-S205 PolarHBondContact O-N 2.95Å; N202-S205 PolarHBondContact O-OG 2.75Å; R203-S205 PolarHBondContact O-N 2.86Å; S205-F209 PolarHBondContact O-N 3.3Å; S205-F209 VanDerWaalsContact O-N 3.17Å
206	D	98.8	Very high	98.7	Very high	61 Å²	61	22.4 Å²	22.4	33%	0.326	11%	0.107	S	C	.	.	H	α-helix	trans	-69	-47	172.7	-61.2	-29.5	0	0	0	110.5	I145 R203 L204 L208 F209 T210	I145-D206 HydrophobicContact CD1-CB 3.89Å; R203-D206 IonicContact NH1-OD2 3.23Å; R203-D206 PolarHBondContact NH1-OD2 3.23Å; R203-D206 VanDerWaalsContact NH1-OD2 3.1Å; R203-D206 WeakPolarHBondContact O-CB 3.08Å; R203-D206 PolarHBondContact O-N 3.27Å; R203-D206 VanDerWaalsContact O-N 3.13Å; L204-D206 VanDerWaalsContact C-N 3.3Å; L204-D206 PolarHBondContact O-N 3.09Å; D206-L208 PolarHBondContact O-N 2.99Å; D206-F209 WeakPolarHBondContact O-CA 3.4Å; D206-F209 VanDerWaalsContact O-CB 3.32Å; D206-F209 WeakPolarHBondContact O-CB 3.24Å; D206-F209 PolarHBondContact O-N 3.01Å; D206-F209 VanDerWaalsContact O-N 3.08Å; D206-T210 PolarHBondContact O-N 3.11Å; D206-T210 PolarHBondContact O-OG1 3.33Å; D206-T210 VanDerWaalsContact O-OG1 3.14Å
207	Y	98.9	Very high	98.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-54.9	-50	175.6	171.2	-92.6	0	0	0	112	Q101 L102 I105 L141 W144 I145 F148 R203 L204 F209 T210 V211	Q101-Y207 VanDerWaalsContact CB-OH 3.28Å; Q101-Y207 WeakPolarHBondContact CB-OH 3.28Å; Q101-Y207 PolarHBondContact OE1-OH 2.98Å; L102-Y207 HydrophobicContact CD2-CE1 3.91Å; I105-Y207 HydrophobicContact CD1-CD1 3.76Å; I105-Y207 HydrophobicContact CD1-CE1 3.39Å; L141-Y207 HydrophobicContact CD2-CD1 4.1Å; L141-Y207 HydrophobicContact CD2-CD2 4.03Å; L141-Y207 HydrophobicContact CD2-CG 3.68Å; W144-Y207 HydrophobicContact CB-CD2 4.03Å; W144-Y207 HydrophobicContact CB-CE2 3.8Å; W144-Y207 HydrophobicContact CD2-CE2 4.39Å; W144-Y207 HydrophobicContact CE3-CD2 4.23Å; W144-Y207 AromaticContact CE3-CE2 3.78Å; W144-Y207 HydrophobicContact CE3-CE2 3.78Å; W144-Y207 HydrophobicContact CG-CE2 4.45Å; I145-Y207 HydrophobicContact CG1-CD2 4.3Å; F148-Y207 HydrophobicContact CD2-CE2 4.41Å; F148-Y207 HydrophobicContact CE2-CE2 4.07Å; R203-Y207 PolarHBondContact O-N 3.02Å; L204-Y207 HydrophobicContact CD1-CD1 4.04Å; L204-Y207 PolarHBondContact O-N 3.44Å; Y207-F209 PolarHBondContact O-N 3.06Å; Y207-T210 PolarHBondContact O-N 3.33Å; Y207-T210 VanDerWaalsContact O-N 3.08Å; Y207-V211 HydrophobicContact CD1-CG2 4.3Å; Y207-V211 HydrophobicContact CD2-CG1 4.28Å; Y207-V211 HydrophobicContact CE1-CG1 4.11Å; Y207-V211 HydrophobicContact CE1-CG2 3.94Å; Y207-V211 HydrophobicContact CE2-CG1 3.72Å; Y207-V211 WeakPolarHBondContact O-CG2 3.46Å; Y207-V211 PolarHBondContact O-N 3.08Å
208	L	98.9	Very high	98.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.4	-32.8	178.5	-70.1	169	0	0	0	112.3	L80 I84 L102 L170 A173 R174 C177 L204 D206 A212	L80-L208 HydrophobicContact CD1-CD1 4.35Å; I84-L208 HydrophobicContact CD1-CD1 4.47Å; I84-L208 HydrophobicContact CD1-CD2 4.49Å; I84-L208 HydrophobicContact CG1-CD2 4.31Å; L102-L208 HydrophobicContact CD2-CD2 4.35Å; L170-L208 HydrophobicContact CD2-CD2 4.14Å; A173-L208 HydrophobicContact CB-CD1 4.28Å; A173-L208 HydrophobicContact CB-CD2 4.39Å; R174-L208 HydrophobicContact CB-CB 3.84Å; R174-L208 HydrophobicContact CG-CB 4.45Å; C177-L208 HydrophobicContact CB-CD1 3.95Å; L204-L208 HydrophobicContact CD1-CD1 4.21Å; L204-L208 HydrophobicContact CD1-CG 4.06Å; L204-L208 HydrophobicContact CG-CD1 4.03Å; L204-L208 HydrophobicContact CG-CG 4.36Å; L204-L208 WeakPolarHBondContact O-CB 3.39Å; L204-L208 VanDerWaalsContact O-CG 3.26Å; L204-L208 WeakPolarHBondContact O-CG 3.43Å; L204-L208 PolarHBondContact O-N 2.69Å; D206-L208 PolarHBondContact O-N 2.99Å; L208-A212 VanDerWaalsContact O-CB 3.27Å; L208-A212 WeakPolarHBondContact O-CB 3.47Å; L208-A212 PolarHBondContact O-N 3.07Å; L208-A212 VanDerWaalsContact O-N 3.15Å
209	F	98.8	Very high	98.6	Very high	55 Å²	55	29.3 Å²	29.3	24%	0.241	13%	0.134	C	C	.	.	H	α-helix	trans	-65.8	-50.1	171.4	-178.2	-101.6	0	0	0	111.2	L155 I159 H171 S205 D206 Y207 V211 A212 R213	L155-F209 HydrophobicContact CD2-CE1 3.9Å; L155-F209 HydrophobicContact CD2-CZ 3.83Å; I159-F209 HydrophobicContact CD1-CE2 3.86Å; I159-F209 HydrophobicContact CD1-CZ 3.85Å; I159-F209 HydrophobicContact CG1-CE2 4.07Å; I159-F209 HydrophobicContact CG1-CZ 4.1Å; H171-F209 AromaticContact CE1-CD2 3.68Å; H171-F209 AromaticContact CE1-CE2 3.86Å; S205-F209 PolarHBondContact O-N 3.3Å; S205-F209 VanDerWaalsContact O-N 3.17Å; D206-F209 WeakPolarHBondContact O-CA 3.4Å; D206-F209 VanDerWaalsContact O-CB 3.32Å; D206-F209 WeakPolarHBondContact O-CB 3.24Å; D206-F209 PolarHBondContact O-N 3.01Å; D206-F209 VanDerWaalsContact O-N 3.08Å; Y207-F209 PolarHBondContact O-N 3.06Å; F209-V211 PolarHBondContact O-N 3.33Å; F209-A212 WeakPolarHBondContact O-CB 3.39Å; F209-A212 PolarHBondContact O-N 3.21Å; F209-R213 HydrophobicContact CE1-CG 4.26Å; F209-R213 HydrophobicContact CZ-CG 4.33Å; F209-R213 WeakPolarHBondContact O-CG 3.48Å; F209-R213 PolarHBondContact O-N 3Å
210	T	98.7	Very high	98.5	Very high	12 Å²	12	28.4 Å²	28.4	7%	0.074	15%	0.147	C	C	.	.	H	α-helix	trans	-59.6	-49	-178.8	-57.1	0	0	0	0	111.6	F148 L152 D206 Y207 A212 R213 Y214	F148-T210 HydrophobicContact CB-CG2 3.63Å; L152-T210 HydrophobicContact CD1-CG2 3.87Å; D206-T210 PolarHBondContact O-N 3.11Å; D206-T210 PolarHBondContact O-OG1 3.33Å; D206-T210 VanDerWaalsContact O-OG1 3.14Å; Y207-T210 PolarHBondContact O-N 3.33Å; Y207-T210 VanDerWaalsContact O-N 3.08Å; T210-A212 VanDerWaalsContact C-N 3.3Å; T210-A212 PolarHBondContact O-N 3.16Å; T210-R213 PolarHBondContact O-N 2.9Å; T210-Y214 PolarHBondContact O-N 3.17Å
211	V	98.7	Very high	98.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-71	-24.5	179.5	-62.5	0	0	0	0	113	F98 F148 L170 Y207 F209 Y214 A215	F98-V211 HydrophobicContact CD2-CB 4.24Å; F98-V211 HydrophobicContact CD2-CG1 4.34Å; F98-V211 HydrophobicContact CE2-CB 4.13Å; F98-V211 HydrophobicContact CE2-CG2 4.4Å; F98-V211 HydrophobicContact CG-CG1 4.3Å; F98-V211 HydrophobicContact CZ-CB 4.31Å; F148-V211 HydrophobicContact CD2-CG1 3.67Å; F148-V211 HydrophobicContact CE2-CG1 3.77Å; F148-V211 HydrophobicContact CG-CG1 4.36Å; L170-V211 HydrophobicContact CD1-CB 4.47Å; L170-V211 HydrophobicContact CD1-CG2 4.06Å; L170-V211 HydrophobicContact CD2-CG2 3.96Å; Y207-V211 HydrophobicContact CD1-CG2 4.3Å; Y207-V211 HydrophobicContact CD2-CG1 4.28Å; Y207-V211 HydrophobicContact CE1-CG1 4.11Å; Y207-V211 HydrophobicContact CE1-CG2 3.94Å; Y207-V211 HydrophobicContact CE2-CG1 3.72Å; Y207-V211 WeakPolarHBondContact O-CG2 3.46Å; Y207-V211 PolarHBondContact O-N 3.08Å; F209-V211 PolarHBondContact O-N 3.33Å; V211-Y214 PolarHBondContact O-N 3.41Å; V211-A215 VanDerWaalsContact O-CB 3.28Å; V211-A215 WeakPolarHBondContact O-CB 3.5Å; V211-A215 PolarHBondContact O-N 2.85Å
212	A	98.8	Very high	98.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-44.2	170.6	0	0	0	0	0	111.2	S167 L170 L208 F209 T210 A215 A216	S167-A212 WeakPolarHBondContact CB-O 3.44Å; S167-A212 PolarHBondContact OG-O 3.25Å; L170-A212 HydrophobicContact CB-CB 3.66Å; L170-A212 HydrophobicContact CD1-CB 4.44Å; L208-A212 VanDerWaalsContact O-CB 3.27Å; L208-A212 WeakPolarHBondContact O-CB 3.47Å; L208-A212 PolarHBondContact O-N 3.07Å; L208-A212 VanDerWaalsContact O-N 3.15Å; F209-A212 WeakPolarHBondContact O-CB 3.39Å; F209-A212 PolarHBondContact O-N 3.21Å; T210-A212 VanDerWaalsContact C-N 3.3Å; T210-A212 PolarHBondContact O-N 3.16Å; A212-A215 PolarHBondContact O-N 3.35Å; A212-A216 PolarHBondContact O-N 3.04Å; A212-A216 VanDerWaalsContact O-N 3.16Å
213	R	98.4	Very high	98	Very high	23 Å²	23	41.3 Å²	41.3	9%	0.087	20%	0.204	C	C	.	.	H	α-helix	trans	-65	-43.6	175.5	-58.3	-165.4	58.6	-137.8	-3.1	111.5	L152 P153 I159 F209 T210 A215 A216 M217 E223	L152-R213 HydrophobicContact CD1-CB 3.97Å; L152-R213 HydrophobicContact CD2-CB 3.84Å; P153-R213 PolarHBondContact O-NH1 3.07Å; P153-R213 PolarHBondContact O-NH2 2.97Å; I159-R213 HydrophobicContact CD1-CG 3.9Å; F209-R213 HydrophobicContact CE1-CG 4.26Å; F209-R213 HydrophobicContact CZ-CG 4.33Å; F209-R213 WeakPolarHBondContact O-CG 3.48Å; F209-R213 PolarHBondContact O-N 3Å; T210-R213 PolarHBondContact O-N 2.9Å; R213-A215 VanDerWaalsContact C-N 3.33Å; R213-A215 PolarHBondContact O-N 2.7Å; R213-A216 PolarHBondContact O-N 3.17Å; R213-M217 PolarHBondContact O-N 2.94Å; R213-E223 WeakPolarHBondContact CA-OE1 3.28Å; R213-E223 VanDerWaalsContact CG-OE1 3.26Å; R213-E223 WeakPolarHBondContact CG-OE1 3.32Å; R213-E223 IonicContact CZ-OE2 2.86Å; R213-E223 IonicContact NE-OE1 3.27Å; R213-E223 IonicContact NE-OE2 2.95Å; R213-E223 PolarHBondContact NE-OE2 3Å; R213-E223 VanDerWaalsContact NE-OE2 3.16Å; R213-E223 IonicContact NH2-OE2 2.75Å
214	Y	98.4	Very high	97.8	Very high	14 Å²	14	44.4 Å²	44.4	6%	0.055	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-44.1	178.9	-173.4	-96.5	0	0	0	111.7	F98 F148 E151 T210 V211 A216 M217 K218	F98-Y214 AromaticContact CD1-CD1 3.93Å; F98-Y214 HydrophobicContact CD1-CD1 3.93Å; F98-Y214 HydrophobicContact CD1-CE1 4.15Å; F98-Y214 AromaticContact CE1-CD1 3.76Å; F98-Y214 HydrophobicContact CE1-CD1 3.76Å; F98-Y214 HydrophobicContact CE1-CE1 4.28Å; F148-Y214 HydrophobicContact CB-CD2 4.29Å; F148-Y214 HydrophobicContact CD1-CD1 4.1Å; F148-Y214 AromaticContact CD1-CD2 3.74Å; F148-Y214 HydrophobicContact CD1-CD2 3.74Å; F148-Y214 HydrophobicContact CD1-CE1 4.05Å; F148-Y214 AromaticContact CD1-CE2 3.69Å; F148-Y214 HydrophobicContact CD1-CE2 3.69Å; F148-Y214 AromaticContact CD1-CG 3.91Å; F148-Y214 HydrophobicContact CD1-CG 3.91Å; F148-Y214 AromaticContact CD1-CZ 3.81Å; F148-Y214 HydrophobicContact CE1-CD1 4.31Å; F148-Y214 HydrophobicContact CE1-CE1 4.02Å; F148-Y214 HydrophobicContact CE1-CE2 4.34Å; F148-Y214 AromaticContact CE1-CZ 3.99Å; F148-Y214 HydrophobicContact CG-CD2 4.4Å; F148-Y214 HydrophobicContact CG-CG 4.5Å; E151-Y214 HydrophobicContact CB-CD2 4.47Å; E151-Y214 HydrophobicContact CB-CE2 3.99Å; E151-Y214 HydrophobicContact CG-CE2 4.34Å; E151-Y214 VanDerWaalsContact OE1-CE2 3.27Å; E151-Y214 WeakPolarHBondContact OE1-CE2 3.49Å; E151-Y214 PolarHBondContact OE1-OH 2.83Å; T210-Y214 PolarHBondContact O-N 3.17Å; V211-Y214 PolarHBondContact O-N 3.41Å; Y214-A216 PolarHBondContact O-N 2.98Å; Y214-M217 HydrophobicContact CD2-CE 3.84Å; Y214-M217 HydrophobicContact CE2-CE 3.99Å; Y214-M217 PolarHBondContact O-N 3.36Å; Y214-K218 HydrophobicContact CD1-CG 3.99Å; Y214-K218 HydrophobicContact CE1-CD 4.41Å; Y214-K218 HydrophobicContact CE1-CG 3.66Å; Y214-K218 VanDerWaalsContact CE2-CE 3.46Å; Y214-K218 HydrophobicContact CE2-CG 4.35Å; Y214-K218 HydrophobicContact CG-CG 4.5Å; Y214-K218 WeakPolarHBondContact O-CG 3.39Å; Y214-K218 PolarHBondContact O-N 3.26Å; Y214-K218 WeakPolarHBondContact OH-CE 3.48Å
215	A	98.6	Very high	97.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.9	-46	176.5	0	0	0	0	0	111.8	F98 L170 V211 A212 R213 M217 K218 E219	F98-A215 HydrophobicContact CZ-CB 4.15Å; L170-A215 HydrophobicContact CD1-CB 4.05Å; V211-A215 VanDerWaalsContact O-CB 3.28Å; V211-A215 WeakPolarHBondContact O-CB 3.5Å; V211-A215 PolarHBondContact O-N 2.85Å; A212-A215 PolarHBondContact O-N 3.35Å; R213-A215 VanDerWaalsContact C-N 3.33Å; R213-A215 PolarHBondContact O-N 2.7Å; A215-M217 PolarHBondContact O-N 3.29Å; A215-K218 PolarHBondContact O-N 2.78Å; A215-E219 WeakPolarHBondContact O-CB 3.34Å; A215-E219 WeakPolarHBondContact O-CG 3.5Å; A215-E219 PolarHBondContact O-N 3.16Å
216	A	98.2	Very high	97.4	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.008	26%	0.264	C	S	.	.	H	α-helix	trans	-59.2	-46.2	176.7	0	0	0	0	0	111.8	A212 R213 Y214 E219 A220 K221 E223	A212-A216 PolarHBondContact O-N 3.04Å; A212-A216 VanDerWaalsContact O-N 3.16Å; R213-A216 PolarHBondContact O-N 3.17Å; Y214-A216 PolarHBondContact O-N 2.98Å; A216-E219 PolarHBondContact O-N 3.03Å; A216-A220 PolarHBondContact O-N 2.89Å; A216-K221 PolarHBondContact O-N 2.97Å; A216-E223 HydrophobicContact CB-CG 3.93Å
217	M	97.6	Very high	97.1	Very high	66 Å²	66	62 Å²	62	33%	0.325	29%	0.288	S	S	.	.	H	α-helix	trans	-60.4	-51.5	178	-179.1	-175.4	71.9	0	0	112.2	E151 L152 R213 Y214 A215 E219 A220	E151-M217 HydrophobicContact CB-CE 4.24Å; L152-M217 HydrophobicContact CD2-CB 4.41Å; L152-M217 HydrophobicContact CD2-CE 4.31Å; L152-M217 HydrophobicContact CD2-SD 4.12Å; R213-M217 PolarHBondContact O-N 2.94Å; Y214-M217 HydrophobicContact CD2-CE 3.84Å; Y214-M217 HydrophobicContact CE2-CE 3.99Å; Y214-M217 PolarHBondContact O-N 3.36Å; A215-M217 PolarHBondContact O-N 3.29Å; M217-E219 VanDerWaalsContact C-N 3.27Å; M217-E219 PolarHBondContact O-N 2.57Å; M217-A220 PolarHBondContact O-N 3.23Å; M217-A220 VanDerWaalsContact O-N 3.07Å
218	K	97.9	Very high	96.6	Very high	105 Å²	105	72.1 Å²	72.1	46%	0.457	33%	0.326	S	S	.	.	H	α-helix	trans	-67.2	-28.2	-178.2	-68.7	-61.9	-173	-174.1	0	112.8	E151 Y214 A215 A220	E151-K218 IonicContact OE2-NZ 2.82Å; E151-K218 PolarHBondContact OE2-NZ 2.98Å; Y214-K218 HydrophobicContact CD1-CG 3.99Å; Y214-K218 HydrophobicContact CE1-CD 4.41Å; Y214-K218 HydrophobicContact CE1-CG 3.66Å; Y214-K218 VanDerWaalsContact CE2-CE 3.46Å; Y214-K218 HydrophobicContact CE2-CG 4.35Å; Y214-K218 HydrophobicContact CG-CG 4.5Å; Y214-K218 WeakPolarHBondContact O-CG 3.39Å; Y214-K218 PolarHBondContact O-N 3.26Å; Y214-K218 WeakPolarHBondContact OH-CE 3.48Å; A215-K218 PolarHBondContact O-N 2.78Å; K218-A220 VanDerWaalsContact C-N 3.28Å
219	E	97.8	Very high	95.9	Very high	29 Å²	29	77.3 Å²	77.3	14%	0.136	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	4.3	174.2	-68.2	-178.8	-136.9	0	0	114	K94 H96 S166 A215 A216 M217 K221	K94-E219 HydrophobicContact CB-CG 4.31Å; K94-E219 HydrophobicContact CD-CG 4.15Å; K94-E219 VanDerWaalsContact CE-OE2 3.29Å; K94-E219 WeakPolarHBondContact CE-OE2 3.41Å; K94-E219 HydrophobicContact CG-CG 4.2Å; K94-E219 WeakPolarHBondContact CG-OE1 3.49Å; H96-E219 IonicContact CD2-OE1 3.49Å; H96-E219 IonicContact CE1-OE1 3.24Å; H96-E219 IonicContact NE2-OE1 2.93Å; H96-E219 PolarHBondContact NE2-OE1 2.94Å; S166-E219 WeakPolarHBondContact CB-OE1 3.48Å; S166-E219 PolarHBondContact OG-OE1 3.31Å; A215-E219 WeakPolarHBondContact O-CB 3.34Å; A215-E219 WeakPolarHBondContact O-CG 3.5Å; A215-E219 PolarHBondContact O-N 3.16Å; A216-E219 PolarHBondContact O-N 3.03Å; M217-E219 VanDerWaalsContact C-N 3.27Å; M217-E219 PolarHBondContact O-N 2.57Å; E219-K221 HydrophobicContact CB-CG 3.93Å; E219-K221 PolarHBondContact O-N 3.4Å
220	A	97.3	Very high	94.7	Very high	91 Å²	91	87.3 Å²	87.3	75%	0.752	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	43.7	-174.3	0	0	0	0	0	112.5	A216 M217 K218	A216-A220 PolarHBondContact O-N 2.89Å; M217-A220 PolarHBondContact O-N 3.23Å; M217-A220 VanDerWaalsContact O-N 3.07Å; K218-A220 VanDerWaalsContact C-N 3.28Å
221	K	96.8	Very high	94.5	Very high	110 Å²	110	91.1 Å²	91.1	48%	0.478	43%	0.427	S	S	.	.			trans	-106.4	133.9	175.6	-62.4	-58.9	178	-169.2	0	110.4	G163 A216 E219	G163-K221 VanDerWaalsContact C-CB 3.47Å; G163-K221 VanDerWaalsContact O-CB 3.26Å; G163-K221 WeakPolarHBondContact O-CB 3.37Å; A216-K221 PolarHBondContact O-N 2.97Å; E219-K221 HydrophobicContact CB-CG 3.93Å; E219-K221 PolarHBondContact O-N 3.4Å
222	E	92.5	Very high	94.3	Very high	179 Å²	179	95.9 Å²	95.9	84%	0.836	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-76.9	132.7	178	-67.5	-177.9	174	0	0	111.7
223	E	95.3	Very high	94	Very high	43 Å²	43	101.2 Å²	101.2	20%	0.201	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-81.3	129.7	166.3	-52.8	-172	111.6	0	0	109	I159 R213 A216 I225	I159-E223 HydrophobicContact CB-CB 4.46Å; I159-E223 VanDerWaalsContact CD1-OE1 3.23Å; I159-E223 WeakPolarHBondContact CD1-OE1 3.13Å; I159-E223 HydrophobicContact CG2-CB 4.16Å; R213-E223 WeakPolarHBondContact CA-OE1 3.28Å; R213-E223 VanDerWaalsContact CG-OE1 3.26Å; R213-E223 WeakPolarHBondContact CG-OE1 3.32Å; R213-E223 IonicContact CZ-OE2 2.86Å; R213-E223 IonicContact NE-OE1 3.27Å; R213-E223 IonicContact NE-OE2 2.95Å; R213-E223 PolarHBondContact NE-OE2 3Å; R213-E223 VanDerWaalsContact NE-OE2 3.16Å; R213-E223 IonicContact NH2-OE2 2.75Å; A216-E223 HydrophobicContact CB-CG 3.93Å; E223-I225 PolarHBondContact O-N 3.43Å
224	K	94.6	Very high	93.8	Very high	141 Å²	141	105.8 Å²	105.8	61%	0.613	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-78	123.6	178.6	-67.6	-175.7	178.3	-177.4	0	110.1	I159 L160 S162	I159-K224 CarbonylContact C-O 3.59Å; I159-K224 WeakPolarHBondContact CA-O 3.32Å; L160-K224 HydrophobicContact CB-CB 4.12Å; L160-K224 HydrophobicContact CD1-CB 4.02Å; L160-K224 HydrophobicContact CG-CB 4.32Å; L160-K224 PolarHBondContact N-O 2.92Å; S162-K224 PolarHBondContact OG-N 3.47Å
225	I	95.2	Very high	93.5	Very high	92 Å²	92	111.6 Å²	111.6	47%	0.472	52%	0.524	S	S	.	.	B	Isolated β-bridge	trans	-72.5	134.8	173.6	-61.9	172.2	0	0	0	109.8	N157 E223 R227	N157-I225 HydrophobicContact CB-CG2 3.76Å; E223-I225 PolarHBondContact O-N 3.43Å; I225-R227 PolarHBondContact O-N 3.35Å
226	Y	94.8	Very high	93.1	Very high	125 Å²	125	119 Å²	119	49%	0.49	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-63.3	131.3	172.2	169.1	-104.5	0	0	0	110.6	F158 L160 R228	F158-Y226 WeakPolarHBondContact O-CB 3.48Å; F158-Y226 PolarHBondContact O-N 2.79Å; L160-Y226 HydrophobicContact CD2-CD2 4.07Å; Y226-R228 HydrophobicContact CE1-CB 4.11Å
227	R	93	Very high	92.8	Very high	216 Å²	216	127.4 Å²	127.4	82%	0.815	60%	0.599	S	S	*	*			trans	-116.7	119.9	175.2	-61.6	-179.1	-173.4	175.8	0.3	108.5	I225 S229	I225-R227 PolarHBondContact O-N 3.35Å; R227-S229 PolarHBondContact O-N 3.13Å
228	R	89	Confident	92.4	Very high	212 Å²	212	132.2 Å²	132.2	80%	0.8	62%	0.62	S	S	*	*			trans	-70.7	125.8	171.4	-175.2	175.4	179.3	177.2	-0.2	108.1	Y226	Y226-R228 HydrophobicContact CE1-CB 4.11Å
229	S	82.8	Confident	92	Very high	109 Å²	109	134.4 Å²	134.4	76%	0.762	63%	0.633	S	S	*	*			trans	-73.6	134.7	167.9	-55.8	0	0	0	0	108.5	R227	R227-S229 PolarHBondContact O-N 3.13Å
230	E	74.5	Confident	91.4	Very high	266 Å²	266	144 Å²	144	100%	1.243	68%	0.678	S	S	*	*			trans	-62.7	0	175.4	-66.6	-178.3	173.1	0	0	112.1

Retrieved 230 of 230 residues in 569.9 ms (Link to these results)

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