A0A077ZAK9_TRITR Loading...

Endonuclease III homolog

Bifunctional DNA N-glycosylase with associated apurinic/apyrimidinic (AP) lyase function that catalyzes the first step in base excision repair (BER), the primary repair pathway for the repair of oxidative DNA damage. The DNA N-glycosylase activity releases the damaged DNA base from DNA by cleaving the N-glycosidic bond, leaving an AP site. The AP lyase activity cleaves the phosphodiester bond 3' to the AP site by a beta-elimination. Primarily recognizes and repairs oxidative base damage of pyrimidines.

AlphaFold DB , UniProt , Accession A0A077ZAK9, Species TRITR (Trichuris trichiura, Whipworm), Gene NTH1, Length 277 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.8	Very low	37.1	Very low	242 Å²	242	186.7 Å²	186.7	100%	1.192	88%	0.878	S	S	*	*				0	79.4	0	-67.7	177.5	175.6	0	0	107.1
2	M	35.7	Very low	36.8	Very low	195 Å²	195	185.2 Å²	185.2	96%	0.961	88%	0.876	S	S	*	*				43.8	129	100.6	-78.9	-174.4	167.5	0	0	113.3
3	A	35.9	Very low	37.1	Very low	81 Å²	81	179.8 Å²	179.8	67%	0.669	87%	0.871	S	S	*	*			cis	-169.7	141.3	-11.8	0	0	0	0	0	107.4
4	L	34.2	Very low	36.5	Very low	173 Å²	173	174.1 Å²	174.1	91%	0.906	87%	0.868	S	S	*	*			trans	45	109.2	141.9	-70.4	148.8	0	0	0	120.4	S6	L4-S6 PolarHBondContact O-N 3.15Å
5	R	39.8	Very low	36.3	Very low	249 Å²	249	169.7 Å²	169.7	94%	0.94	87%	0.869	S	S	*	*			trans	-71.9	117.8	161.9	-73.6	-179.6	175.2	-172	-2.2	110.5
6	S	42.6	Very low	35.9	Very low	103 Å²	103	165 Å²	165	72%	0.72	86%	0.864	S	S	*	*			trans	-63.2	124.6	173.1	177.4	0	0	0	0	111.6	L4	L4-S6 PolarHBondContact O-N 3.15Å
7	R	38.1	Very low	35.8	Very low	247 Å²	247	167.4 Å²	167.4	93%	0.932	87%	0.869	S	S	*	*			trans	-92.3	111.5	160.6	-75	-178.6	175.1	-176	-1.8	107.2
8	R	38	Very low	35.5	Very low	238 Å²	238	162.8 Å²	162.8	90%	0.898	86%	0.86	S	S	*	*			trans	-84.2	124.3	169.2	-84.2	-174.1	176.1	-163.8	-1.3	109.8
9	R	33.6	Very low	35.4	Very low	226 Å²	226	162.5 Å²	162.5	85%	0.853	86%	0.859	S	S	*	*			trans	-90.3	129.7	169	-157.4	179.8	-156.2	176.7	3.6	106.4
10	V	36.5	Very low	35.2	Very low	131 Å²	131	159.6 Å²	159.6	79%	0.794	85%	0.853	S	S	*	*			trans	-93.9	115	171.4	178.2	0	0	0	0	106.9
11	E	32.3	Very low	35.2	Very low	169 Å²	169	160.2 Å²	160.2	79%	0.79	86%	0.856	S	S	*	*			trans	-87.6	136.7	168.6	-73.1	178.5	157.1	0	0	108.9
12	I	33.6	Very low	34.8	Very low	168 Å²	168	152.4 Å²	152.4	86%	0.862	84%	0.837	S	S	*	*			trans	-106.4	120.1	173	-54.2	172.2	0	0	0	106.3
13	S	39.9	Very low	34.6	Very low	116 Å²	116	146.4 Å²	146.4	81%	0.811	83%	0.825	S	S	*	*			trans	-109	132.9	174.1	151	0	0	0	0	109.1
14	A	29.3	Very low	34.3	Very low	100 Å²	100	149.1 Å²	149.1	83%	0.826	83%	0.834	S	S	*	*			trans	-95.2	142	174.9	0	0	0	0	0	110.7
15	A	34	Very low	34.3	Very low	107 Å²	107	146.1 Å²	146.1	88%	0.884	82%	0.823	S	S	*	*			trans	-147.4	131.1	157.8	0	0	0	0	0	109.1
16	A	29.8	Very low	33.8	Very low	95 Å²	95	140.1 Å²	140.1	79%	0.785	81%	0.814	S	S	*	*			trans	-108.1	147.4	178.8	0	0	0	0	0	110
17	Q	34	Very low	33.4	Very low	205 Å²	205	143 Å²	143	96%	0.958	82%	0.818	S	S	*	*			trans	-164.6	151.9	143.6	-107.9	162.9	17.1	0	0	111
18	A	29.7	Very low	33	Very low	85 Å²	85	139.2 Å²	139.2	70%	0.702	81%	0.811	S	S	*	*			trans	-109.4	-179.9	-152.2	0	0	0	0	0	114.4
19	D	33.2	Very low	32.9	Very low	157 Å²	157	135.4 Å²	135.4	84%	0.84	81%	0.806	S	S	*	*			trans	104.2	137.8	161.2	-56.9	-17.1	0	0	0	115.1
20	S	32.2	Very low	32.9	Very low	105 Å²	105	132.7 Å²	132.7	73%	0.734	80%	0.803	S	S	*	*			cis	-166.2	155.6	-18.4	51.2	0	0	0	0	107.4
21	N	34.9	Very low	32.6	Very low	173 Å²	173	131.9 Å²	131.9	93%	0.925	80%	0.804	S	S	*	*			trans	71.9	118.1	163.4	-106	0.3	0	0	0	120.8
22	G	33.1	Very low	32.8	Very low	77 Å²	77	132.2 Å²	132.2	79%	0.794	81%	0.81	S	S	*	*			trans	131.7	86	143.6	0	0	0	0	0	117.4
23	G	31.1	Very low	32.6	Very low	69 Å²	69	127.4 Å²	127.4	71%	0.711	80%	0.802	S	S	*	*			trans	60.5	107.5	137.2	0	0	0	0	0	121.1
24	T	30.4	Very low	32.3	Very low	138 Å²	138	131.6 Å²	131.6	85%	0.847	81%	0.806	S	S	*	*				87.5	123.6	126	-50	0	0	0	0	119.7
25	T	34	Very low	32.4	Very low	110 Å²	110	136.2 Å²	136.2	68%	0.675	81%	0.81	S	S	*	*			trans	87.9	103	159.5	-40.5	0	0	0	0	117.9	M27	T25-M27 PolarHBondContact O-N 3.41Å
26	V	29.1	Very low	32.3	Very low	124 Å²	124	136.8 Å²	136.8	75%	0.752	81%	0.808	S	S	*	*			trans	-63.5	115.7	163.1	-171.7	0	0	0	0	109.1
27	M	34.4	Very low	32.5	Very low	163 Å²	163	134.6 Å²	134.6	80%	0.803	80%	0.795	S	S	*	*			trans	-134.7	98.2	150.3	-73	-162.2	-160.5	0	0	107.2	T25 I29	T25-M27 PolarHBondContact O-N 3.41Å; M27-I29 PolarHBondContact O-N 2.71Å; M27-I29 VanDerWaalsContact O-N 3.15Å
28	E	30.8	Very low	32.6	Very low	167 Å²	167	130.7 Å²	130.7	78%	0.78	79%	0.787	S	S	*	*			trans	-62.6	107.1	163.7	-80.4	169.1	148.7	0	0	108.2
29	I	34.3	Very low	33.1	Very low	158 Å²	158	135.3 Å²	135.3	81%	0.81	79%	0.794	S	S	*	*			trans	-102.2	86.3	158.8	-60.6	178.8	0	0	0	105.5	M27 S31	M27-I29 PolarHBondContact O-N 2.71Å; M27-I29 VanDerWaalsContact O-N 3.15Å; I29-S31 PolarHBondContact O-N 3.45Å
30	E	35.1	Very low	33	Very low	169 Å²	169	134 Å²	134	79%	0.79	79%	0.792	S	S	*	*			trans	-67.5	126.4	165.6	-80	-170.9	144.8	0	0	109.7	L32	E30-L32 PolarHBondContact O-N 3.3Å
31	S	30.3	Very low	33.4	Very low	114 Å²	114	137 Å²	137	80%	0.797	80%	0.796	S	S	*	*			trans	-60.6	116.8	170.4	52.6	0	0	0	0	111.6	I29	I29-S31 PolarHBondContact O-N 3.45Å
32	L	36	Very low	34	Very low	176 Å²	176	137.5 Å²	137.5	92%	0.921	79%	0.793	S	S	*	*			trans	-101.4	90.8	159	-82.4	164.2	0	0	0	109.1	E30	E30-L32 PolarHBondContact O-N 3.3Å
33	G	29.1	Very low	35.3	Very low	68 Å²	68	143.1 Å²	143.1	70%	0.701	80%	0.799	S	S	*	*			trans	-66.8	134	158.7	0	0	0	0	0	110.3
34	K	33.7	Very low	37.5	Very low	204 Å²	204	142.4 Å²	142.4	89%	0.887	78%	0.783	S	S	*	*			trans	-150.7	92	146.1	-118.8	177.4	-177.1	-179.6	0	107.9	S36	K34-S36 PolarHBondContact O-N 2.91Å; K34-S36 VanDerWaalsContact O-N 3.15Å
35	E	30.4	Very low	40.4	Very low	196 Å²	196	141.5 Å²	141.5	92%	0.916	76%	0.764	S	S	*	*			trans	-58	112.6	157.2	-68.3	-177.7	156	0	0	107.2	G37	E35-G37 PolarHBondContact O-N 2.96Å
36	S	32.7	Very low	43.3	Very low	120 Å²	120	140.9 Å²	140.9	84%	0.839	75%	0.753	S	S	*	*			trans	-68.4	97.7	170.8	52.7	0	0	0	0	108.1	K34	K34-S36 PolarHBondContact O-N 2.91Å; K34-S36 VanDerWaalsContact O-N 3.15Å
37	G	34.4	Very low	46.5	Very low	49 Å²	49	135.3 Å²	135.3	51%	0.505	72%	0.72	S	S	.	*			trans	-56.4	161.1	160.6	0	0	0	0	0	110.4	E35 E39	E35-G37 PolarHBondContact O-N 2.96Å; G37-E39 PolarHBondContact O-N 3.31Å
38	P	36.2	Very low	49.2	Very low	122 Å²	122	134.4 Å²	134.4	79%	0.792	72%	0.717	S	S	*	*			trans	-62.6	115.1	-179.8	27.9	-30.9	0	0	0	107.3	T40	P38-T40 VanDerWaalsContact C-N 3.29Å; P38-T40 PolarHBondContact O-N 2.6Å
39	E	38.9	Very low	52.3	Low	182 Å²	182	129.7 Å²	129.7	85%	0.85	70%	0.697	S	S	*	*			trans	-55.8	102.3	166.9	-74.6	-177.5	166.5	0	0	106.2	G37 M41	G37-E39 PolarHBondContact O-N 3.31Å; E39-M41 PolarHBondContact O-N 3.31Å
40	T	32.3	Very low	55.3	Low	129 Å²	129	123.4 Å²	123.4	79%	0.791	66%	0.663	S	S	*	*			trans	-61.8	92.8	163.6	48.9	0	0	0	0	104.8	P38 E42	P38-T40 VanDerWaalsContact C-N 3.29Å; P38-T40 PolarHBondContact O-N 2.6Å; T40-E42 PolarHBondContact O-N 2.96Å
41	M	39.6	Very low	58.3	Low	168 Å²	168	118.5 Å²	118.5	83%	0.828	64%	0.643	S	S	*	*			trans	-52.9	107	173.1	-71.3	178.4	67.8	0	0	106.1	E39 E43	E39-M41 PolarHBondContact O-N 3.31Å; M41-E43 PolarHBondContact O-N 2.83Å
42	E	48.6	Very low	61.5	Low	184 Å²	184	116.3 Å²	116.3	86%	0.86	63%	0.625	S	S	*	*			trans	-50.9	119.2	165.8	-75.4	-176.8	154.3	0	0	106	T40 S44	T40-E42 PolarHBondContact O-N 2.96Å; E42-S44 PolarHBondContact O-N 2.9Å
43	E	60.6	Low	64.5	Low	196 Å²	196	108 Å²	108	92%	0.916	58%	0.582	S	S	*	*			trans	-63.3	87.8	177.9	-79.5	-177.3	156.4	0	0	108	M41 W45	M41-E43 PolarHBondContact O-N 2.83Å; E43-W45 PolarHBondContact O-N 2.66Å
44	S	76.2	Confident	67.7	Low	54 Å²	54	104.8 Å²	104.8	38%	0.378	55%	0.549	S	S	.	.			trans	-54.9	128.6	174.7	62.7	0	0	0	0	107.3	E42 Q46	E42-S44 PolarHBondContact O-N 2.9Å; S44-Q46 WeakPolarHBondContact O-CG 3.08Å; S44-Q46 PolarHBondContact O-N 2.71Å
45	W	92.4	Very high	70.8	Confident	118 Å²	118	100.9 Å²	100.9	45%	0.447	53%	0.528	S	S	.	.			trans	-46.9	127.9	176.9	171.8	87.8	0	0	0	110.6	E43 P47 P211 W227	E43-W45 PolarHBondContact O-N 2.66Å; W45-P47 HydrophobicContact CH2-CB 3.99Å; W45-P47 HydrophobicContact CH2-CG 3.62Å; W45-P47 HydrophobicContact CZ2-CB 4.4Å; W45-P47 HydrophobicContact CZ2-CG 4.42Å; W45-P47 HydrophobicContact CZ3-CG 3.76Å; W45-P211 HydrophobicContact CD2-CB 4.05Å; W45-P211 HydrophobicContact CE3-CB 3.9Å; W45-P211 HydrophobicContact CE3-CG 4.44Å; W45-P211 VanDerWaalsContact CH2-CA 3.49Å; W45-P211 HydrophobicContact CH2-CB 4.1Å; W45-P211 HydrophobicContact CZ2-CB 4.24Å; W45-P211 HydrophobicContact CZ3-CB 3.93Å; W45-P211 HydrophobicContact CZ3-CG 4.36Å; W45-W227 AromaticContact CE3-CD1 3.89Å; W45-W227 HydrophobicContact CE3-CG 4.3Å; W45-W227 AromaticContact CZ3-CD1 3.71Å; W45-W227 HydrophobicContact CZ3-CG 4.37Å; W45-W227 AromaticContact CZ3-NE1 3.78Å; W45-W227 WeakPolarHBondContact O-CB 3.32Å
46	Q	94.3	Very high	74	Confident	97 Å²	97	93.7 Å²	93.7	45%	0.453	50%	0.496	S	S	.	.			trans	-120.6	141.9	174	-67.6	-179.9	18.3	0	0	110.2	S44 W227	S44-Q46 WeakPolarHBondContact O-CG 3.08Å; S44-Q46 PolarHBondContact O-N 2.71Å; Q46-W227 HydrophobicContact CB-CE3 4.47Å; Q46-W227 HydrophobicContact CG-CB 4.44Å; Q46-W227 HydrophobicContact CG-CE3 4.2Å
47	P	95.2	Very high	77.1	Confident	7 Å²	7	88 Å²	88	5%	0.045	46%	0.456	C	S	.	.			trans	-63.9	144.4	174.7	-12.1	22.5	0	0	0	111.7	W45 N49 W50 G208 W209 W227	W45-P47 HydrophobicContact CH2-CB 3.99Å; W45-P47 HydrophobicContact CH2-CG 3.62Å; W45-P47 HydrophobicContact CZ2-CB 4.4Å; W45-P47 HydrophobicContact CZ2-CG 4.42Å; W45-P47 HydrophobicContact CZ3-CG 3.76Å; P47-N49 PolarHBondContact O-N 2.77Å; P47-W50 HydrophobicContact CB-CB 4.1Å; P47-W50 HydrophobicContact CG-CB 4.17Å; P47-W50 VanDerWaalsContact O-CD1 3.28Å; P47-W50 PolarHBondContact O-N 3.2Å; P47-G208 WeakPolarHBondContact CB-O 3.27Å; P47-W209 HydrophobicContact CG-CB 4.42Å; P47-W209 HydrophobicContact CG-CG 4.39Å; P47-W227 VanDerWaalsContact CD-CD2 3.43Å; P47-W227 VanDerWaalsContact CD-CE2 3.48Å; P47-W227 HydrophobicContact CG-CD2 4.08Å; P47-W227 HydrophobicContact CG-CE3 4.35Å; P47-W227 HydrophobicContact CG-CH2 3.78Å; P47-W227 HydrophobicContact CG-CZ2 3.42Å; P47-W227 VanDerWaalsContact CG-CZ2 3.42Å; P47-W227 HydrophobicContact CG-CZ3 4.23Å
48	L	93.1	Very high	80.1	Confident	145 Å²	145	88.4 Å²	88.4	76%	0.759	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	136.9	173	-172.9	68.6	0	0	0	110.6	W50	L48-W50 PolarHBondContact O-N 3.37Å; L48-W50 VanDerWaalsContact O-N 3.09Å
49	N	95.5	Very high	83	Confident	67 Å²	67	84.9 Å²	84.9	36%	0.358	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	19.2	177.5	-59	-36.7	0	0	0	115.3	P47 L51 P52 M53 I263	P47-N49 PolarHBondContact O-N 2.77Å; N49-L51 VanDerWaalsContact C-N 3.29Å; N49-L51 PolarHBondContact O-N 3.46Å; N49-P52 WeakPolarHBondContact O-CD 3.02Å; N49-M53 HydrophobicContact CB-CE 4.16Å; N49-M53 WeakPolarHBondContact O-CB 3.41Å; N49-M53 VanDerWaalsContact O-CG 3.24Å; N49-M53 WeakPolarHBondContact O-CG 3.49Å; N49-M53 PolarHBondContact O-N 3.22Å; N49-I263 HydrophobicContact CB-CD1 4.41Å
50	W	97	Very high	85.7	Confident	26 Å²	26	77 Å²	77	10%	0.098	39%	0.39	C	S	.	.	H	α-helix	trans	-57.7	-40.7	-176.4	77.6	-96.8	0	0	0	112.9	P47 L48 M53 L54 W227 L228 P229 Y232	P47-W50 HydrophobicContact CB-CB 4.1Å; P47-W50 HydrophobicContact CG-CB 4.17Å; P47-W50 VanDerWaalsContact O-CD1 3.28Å; P47-W50 PolarHBondContact O-N 3.2Å; L48-W50 PolarHBondContact O-N 3.37Å; L48-W50 VanDerWaalsContact O-N 3.09Å; W50-M53 PolarHBondContact O-N 3.18Å; W50-L54 HydrophobicContact CE3-CD2 4.44Å; W50-L54 HydrophobicContact CZ3-CD2 3.91Å; W50-L54 WeakPolarHBondContact O-CB 3.1Å; W50-L54 PolarHBondContact O-N 3.15Å; W50-W227 HydrophobicContact CB-CH2 3.82Å; W50-W227 HydrophobicContact CB-CZ3 3.94Å; W50-W227 HydrophobicContact CD2-CE3 4.48Å; W50-W227 HydrophobicContact CD2-CH2 4.04Å; W50-W227 AromaticContact CD2-CZ3 3.44Å; W50-W227 HydrophobicContact CD2-CZ3 3.44Å; W50-W227 VanDerWaalsContact CD2-CZ3 3.44Å; W50-W227 AromaticContact CE2-CZ3 3.94Å; W50-W227 HydrophobicContact CE3-CH2 4.06Å; W50-W227 AromaticContact CE3-CZ3 3.7Å; W50-W227 HydrophobicContact CE3-CZ3 3.7Å; W50-W227 HydrophobicContact CG-CE3 4.49Å; W50-W227 AromaticContact CG-CH2 3.96Å; W50-W227 HydrophobicContact CG-CH2 3.96Å; W50-W227 AromaticContact CG-CZ3 3.55Å; W50-W227 HydrophobicContact CG-CZ3 3.55Å; W50-W227 HydrophobicContact CZ3-CZ3 4.38Å; W50-L228 HydrophobicContact CE3-CD1 4.38Å; W50-L228 HydrophobicContact CZ3-CD1 4.1Å; W50-P229 HydrophobicContact CH2-CG 3.83Å; W50-P229 HydrophobicContact CZ2-CG 4.08Å; W50-Y232 HydrophobicContact CH2-CD2 4.3Å; W50-Y232 AromaticContact CH2-CE2 3.7Å; W50-Y232 HydrophobicContact CH2-CE2 3.7Å; W50-Y232 HydrophobicContact CZ3-CD2 4.28Å; W50-Y232 AromaticContact CZ3-CE2 3.94Å; W50-Y232 HydrophobicContact CZ3-CE2 3.94Å
51	L	97.3	Very high	88.8	Confident	67 Å²	67	72.2 Å²	72.2	35%	0.351	36%	0.357	S	S	.	.	H	α-helix	trans	-72.4	-50.2	-176.8	-179.6	64.5	0	0	0	111.9	N49 M53 L54 R55	N49-L51 VanDerWaalsContact C-N 3.29Å; N49-L51 PolarHBondContact O-N 3.46Å; L51-M53 PolarHBondContact O-N 3.17Å; L51-L54 PolarHBondContact O-N 3.45Å; L51-L54 VanDerWaalsContact O-N 3.17Å; L51-R55 HydrophobicContact CD1-CG 4.38Å; L51-R55 VanDerWaalsContact O-CG 3.3Å; L51-R55 WeakPolarHBondContact O-CG 3.39Å; L51-R55 PolarHBondContact O-N 2.95Å
52	P	98	Very high	91.3	Very high	67 Å²	67	68.3 Å²	68.3	44%	0.435	35%	0.347	S	S	.	.	H	α-helix	trans	-52.5	-42.6	168.8	-27.9	33.3	0	0	0	113	N49 L54 R55 N56 I263	N49-P52 WeakPolarHBondContact O-CD 3.02Å; P52-L54 PolarHBondContact O-N 2.91Å; P52-R55 PolarHBondContact O-N 3.5Å; P52-N56 WeakPolarHBondContact O-CB 3.45Å; P52-N56 VanDerWaalsContact O-CG 3.3Å; P52-N56 PolarHBondContact O-N 2.78Å; P52-I263 HydrophobicContact CB-CD1 4.31Å
53	M	97.9	Very high	92.9	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.01	34%	0.342	C	S	.	.	H	α-helix	trans	-61.2	-44.5	177.5	-75	179.8	-171.3	0	0	112.7	N49 W50 L51 N56 I57 L207 W209 N260 I263	N49-M53 HydrophobicContact CB-CE 4.16Å; N49-M53 WeakPolarHBondContact O-CB 3.41Å; N49-M53 VanDerWaalsContact O-CG 3.24Å; N49-M53 WeakPolarHBondContact O-CG 3.49Å; N49-M53 PolarHBondContact O-N 3.22Å; W50-M53 PolarHBondContact O-N 3.18Å; L51-M53 PolarHBondContact O-N 3.17Å; M53-N56 PolarHBondContact O-N 2.9Å; M53-I57 VanDerWaalsContact O-CG1 3.27Å; M53-I57 WeakPolarHBondContact O-CG1 3.48Å; M53-I57 PolarHBondContact O-N 3.26Å; M53-L207 HydrophobicContact SD-CB 4.37Å; M53-L207 HydrophobicContact SD-CD2 4.17Å; M53-W209 HydrophobicContact CB-CZ2 4.08Å; M53-N260 WeakPolarHBondContact CA-OD1 3.4Å; M53-N260 PolarHBondContact O-ND2 3.22Å; M53-I263 HydrophobicContact CB-CD1 4.47Å; M53-I263 VanDerWaalsContact CE-C 3.48Å; M53-I263 HydrophobicContact CE-CB 4.14Å; M53-I263 HydrophobicContact CE-CD1 4.42Å; M53-I263 HydrophobicContact CE-CG1 4.03Å; M53-I263 WeakPolarHBondContact CE-O 3.49Å; M53-I263 HydrophobicContact CG-CD1 3.52Å; M53-I263 HydrophobicContact CG-CG1 3.92Å
54	L	98	Very high	93.9	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-62.5	-46.8	178.1	-179.9	65.8	0	0	0	110.7	W50 L51 P52 N56 I57 E58 W209 Y232 I236 L239	W50-L54 HydrophobicContact CE3-CD2 4.44Å; W50-L54 HydrophobicContact CZ3-CD2 3.91Å; W50-L54 WeakPolarHBondContact O-CB 3.1Å; W50-L54 PolarHBondContact O-N 3.15Å; L51-L54 PolarHBondContact O-N 3.45Å; L51-L54 VanDerWaalsContact O-N 3.17Å; P52-L54 PolarHBondContact O-N 2.91Å; L54-N56 VanDerWaalsContact C-N 3.32Å; L54-N56 PolarHBondContact O-N 2.74Å; L54-I57 WeakPolarHBondContact O-CA 3.44Å; L54-I57 WeakPolarHBondContact O-CB 3.36Å; L54-I57 PolarHBondContact O-N 3.18Å; L54-E58 WeakPolarHBondContact O-CG 3.28Å; L54-E58 PolarHBondContact O-N 3.2Å; L54-W209 HydrophobicContact CB-CH2 4.16Å; L54-W209 HydrophobicContact CB-CZ2 4.26Å; L54-W209 HydrophobicContact CD1-CH2 3.91Å; L54-Y232 HydrophobicContact CD2-CD1 3.62Å; L54-Y232 HydrophobicContact CD2-CD2 4.47Å; L54-Y232 HydrophobicContact CD2-CE1 3.6Å; L54-Y232 HydrophobicContact CD2-CE2 4.47Å; L54-Y232 HydrophobicContact CD2-CG 4.07Å; L54-I236 HydrophobicContact CD1-CD1 3.84Å; L54-L239 HydrophobicContact CD1-CD2 3.52Å
55	R	98	Very high	94.5	Very high	121 Å²	121	66.1 Å²	66.1	46%	0.457	33%	0.333	S	S	.	.	H	α-helix	trans	-60.4	-41.3	178.4	-66.4	-69.7	166.1	-157.1	5	112.2	L51 P52 I57 E58 A59 Y232	L51-R55 HydrophobicContact CD1-CG 4.38Å; L51-R55 VanDerWaalsContact O-CG 3.3Å; L51-R55 WeakPolarHBondContact O-CG 3.39Å; L51-R55 PolarHBondContact O-N 2.95Å; P52-R55 PolarHBondContact O-N 3.5Å; R55-I57 VanDerWaalsContact C-N 3.33Å; R55-I57 PolarHBondContact O-N 2.85Å; R55-E58 WeakPolarHBondContact CD-OE2 3.47Å; R55-E58 IonicContact CZ-OE2 3.59Å; R55-E58 IonicContact NE-OE2 2.69Å; R55-E58 IonicContact NH1-OE1 2.72Å; R55-E58 IonicContact NH1-OE2 3.25Å; R55-E58 PolarHBondContact NH1-OE2 3Å; R55-E58 WeakPolarHBondContact O-CB 3.25Å; R55-E58 PolarHBondContact O-N 2.98Å; R55-A59 WeakPolarHBondContact O-CB 3.45Å; R55-A59 PolarHBondContact O-N 2.92Å; R55-Y232 PolarHBondContact NH2-OH 3.44Å
56	N	98	Very high	94.6	Very high	45 Å²	45	60.7 Å²	60.7	24%	0.241	31%	0.314	C	S	.	.	H	α-helix	trans	-63.3	-37.6	173.5	-78.5	-12	0	0	0	112.4	P52 M53 L54 M60 L259 N260	P52-N56 WeakPolarHBondContact O-CB 3.45Å; P52-N56 VanDerWaalsContact O-CG 3.3Å; P52-N56 PolarHBondContact O-N 2.78Å; M53-N56 PolarHBondContact O-N 2.9Å; L54-N56 VanDerWaalsContact C-N 3.32Å; L54-N56 PolarHBondContact O-N 2.74Å; N56-M60 VanDerWaalsContact O-CE 3.29Å; N56-M60 WeakPolarHBondContact O-CE 3.46Å; N56-M60 WeakPolarHBondContact O-CG 3.47Å; N56-M60 PolarHBondContact O-N 3.39Å; N56-L259 HydrophobicContact CB-CB 3.83Å; N56-L259 PolarHBondContact ND2-O 3.44Å; N56-N260 WeakPolarHBondContact CB-OD1 3.38Å; N56-N260 PolarHBondContact ND2-OD1 3.08Å
57	I	97.9	Very high	94.5	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.7	-43.5	175	-67.3	163	0	0	0	110.6	M53 L54 R55 M60 R61 L207 W209 L239 L240 F243 N260	M53-I57 VanDerWaalsContact O-CG1 3.27Å; M53-I57 WeakPolarHBondContact O-CG1 3.48Å; M53-I57 PolarHBondContact O-N 3.26Å; L54-I57 WeakPolarHBondContact O-CA 3.44Å; L54-I57 WeakPolarHBondContact O-CB 3.36Å; L54-I57 PolarHBondContact O-N 3.18Å; R55-I57 VanDerWaalsContact C-N 3.33Å; R55-I57 PolarHBondContact O-N 2.85Å; I57-M60 HydrophobicContact CG1-CE 4.21Å; I57-M60 PolarHBondContact O-N 2.86Å; I57-R61 HydrophobicContact CG2-CG 4.36Å; I57-R61 VanDerWaalsContact O-CB 3.31Å; I57-R61 WeakPolarHBondContact O-CB 3.32Å; I57-R61 WeakPolarHBondContact O-CG 2.9Å; I57-R61 PolarHBondContact O-N 3.3Å; I57-L207 HydrophobicContact CD1-CD1 3.77Å; I57-W209 HydrophobicContact CD1-CH2 4.16Å; I57-W209 HydrophobicContact CD1-CZ2 4.45Å; I57-L239 HydrophobicContact CG2-CD1 4.02Å; I57-L239 HydrophobicContact CG2-CD2 3.99Å; I57-L239 HydrophobicContact CG2-CG 3.76Å; I57-L240 HydrophobicContact CD1-CD2 4.08Å; I57-L240 HydrophobicContact CG2-CD2 4.47Å; I57-F243 HydrophobicContact CD1-CD1 4.32Å; I57-F243 HydrophobicContact CD1-CE1 4.24Å; I57-F243 HydrophobicContact CG1-CD1 4.27Å; I57-F243 HydrophobicContact CG1-CD2 4.43Å; I57-F243 HydrophobicContact CG1-CE1 4.16Å; I57-F243 HydrophobicContact CG1-CE2 4.33Å; I57-F243 HydrophobicContact CG1-CG 4.42Å; I57-F243 HydrophobicContact CG1-CZ 4.21Å; I57-F243 HydrophobicContact CG2-CB 3.89Å; I57-F243 HydrophobicContact CG2-CD1 4.29Å; I57-F243 HydrophobicContact CG2-CD2 4.13Å; I57-F243 HydrophobicContact CG2-CG 3.86Å; I57-N260 WeakPolarHBondContact CG1-ND2 3.14Å
58	E	97.3	Very high	94.3	Very high	59 Å²	59	59.5 Å²	59.5	28%	0.276	31%	0.314	S	S	.	.	H	α-helix	trans	-58.3	-47.7	174.6	-68.9	172	163.5	0	0	111.2	L54 R55 M60 R61 S62 L239	L54-E58 WeakPolarHBondContact O-CG 3.28Å; L54-E58 PolarHBondContact O-N 3.2Å; R55-E58 WeakPolarHBondContact CD-OE2 3.47Å; R55-E58 IonicContact CZ-OE2 3.59Å; R55-E58 IonicContact NE-OE2 2.69Å; R55-E58 IonicContact NH1-OE1 2.72Å; R55-E58 IonicContact NH1-OE2 3.25Å; R55-E58 PolarHBondContact NH1-OE2 3Å; R55-E58 WeakPolarHBondContact O-CB 3.25Å; R55-E58 PolarHBondContact O-N 2.98Å; E58-M60 PolarHBondContact O-N 3.4Å; E58-R61 CarbonylContact O-C 3.54Å; E58-R61 WeakPolarHBondContact O-CA 3.43Å; E58-R61 PolarHBondContact O-N 3.25Å; E58-S62 PolarHBondContact O-N 3.48Å; E58-L239 HydrophobicContact CG-CD1 4.23Å; E58-L239 HydrophobicContact CG-CD2 3.93Å
59	A	97.1	Very high	94.2	Very high	48 Å²	48	53.8 Å²	53.8	40%	0.397	28%	0.284	S	S	.	.	H	α-helix	trans	-61.9	-41.4	176.6	0	0	0	0	0	112.7	R55 R61 S62 L259	R55-A59 WeakPolarHBondContact O-CB 3.45Å; R55-A59 PolarHBondContact O-N 2.92Å; A59-R61 PolarHBondContact O-N 3.45Å; A59-S62 PolarHBondContact O-N 3.49Å; A59-S62 PolarHBondContact O-OG 3.44Å; A59-L259 HydrophobicContact CB-CD1 4.22Å
60	M	96.3	Very high	93.9	Very high	16 Å²	16	53.9 Å²	53.9	8%	0.079	29%	0.287	C	S	.	.	H	α-helix	trans	-66.3	-20.7	174.5	-74.6	-176.3	-74.9	0	0	113.2	N56 I57 E58 F243 C258 L259	N56-M60 VanDerWaalsContact O-CE 3.29Å; N56-M60 WeakPolarHBondContact O-CE 3.46Å; N56-M60 WeakPolarHBondContact O-CG 3.47Å; N56-M60 PolarHBondContact O-N 3.39Å; I57-M60 HydrophobicContact CG1-CE 4.21Å; I57-M60 PolarHBondContact O-N 2.86Å; E58-M60 PolarHBondContact O-N 3.4Å; M60-F243 HydrophobicContact CE-CD2 4.29Å; M60-F243 HydrophobicContact CE-CE2 3.49Å; M60-F243 VanDerWaalsContact CE-CE2 3.49Å; M60-F243 HydrophobicContact CE-CZ 4.1Å; M60-F243 HydrophobicContact SD-CE2 4.04Å; M60-C258 HydrophobicContact SD-CB 4.47Å; M60-L259 HydrophobicContact CE-CB 4.12Å; M60-L259 HydrophobicContact CG-CB 4.32Å; M60-L259 HydrophobicContact CG-CD1 3.79Å; M60-L259 HydrophobicContact CG-CG 3.74Å; M60-L259 HydrophobicContact SD-CB 4.12Å; M60-L259 HydrophobicContact SD-CG 4.04Å; M60-L259 PolarHBondContact SD-N 3.41Å; M60-L259 VanDerWaalsContact SD-N 3.36Å
61	R	95.5	Very high	93.4	Very high	28 Å²	28	53.8 Å²	53.8	11%	0.106	29%	0.291	C	S	.	.	H	α-helix	trans	-99.5	-14.9	-176.7	-73.4	-71	-67.9	139.4	2.9	113.8	I57 E58 A59 D63 K64 D69 L239 F243	I57-R61 HydrophobicContact CG2-CG 4.36Å; I57-R61 VanDerWaalsContact O-CB 3.31Å; I57-R61 WeakPolarHBondContact O-CB 3.32Å; I57-R61 WeakPolarHBondContact O-CG 2.9Å; I57-R61 PolarHBondContact O-N 3.3Å; E58-R61 CarbonylContact O-C 3.54Å; E58-R61 WeakPolarHBondContact O-CA 3.43Å; E58-R61 PolarHBondContact O-N 3.25Å; A59-R61 PolarHBondContact O-N 3.45Å; R61-D63 VanDerWaalsContact C-N 3.27Å; R61-D63 PolarHBondContact O-N 3.25Å; R61-K64 PolarHBondContact NH1-O 2.96Å; R61-D69 IonicContact CZ-OD2 3.79Å; R61-D69 VanDerWaalsContact CZ-OD2 3.29Å; R61-D69 IonicContact NH1-OD2 2.73Å; R61-D69 PolarHBondContact NH1-OD2 3.05Å; R61-D69 IonicContact NH2-OD1 3.66Å; R61-D69 PolarHBondContact NH2-OD1 3.48Å; R61-D69 IonicContact NH2-OD2 2.77Å; R61-D69 PolarHBondContact NH2-OD2 2.94Å; R61-L239 HydrophobicContact CB-CD1 3.94Å; R61-L239 HydrophobicContact CG-CD1 3.93Å; R61-F243 HydrophobicContact CG-CB 4.39Å
62	S	93.5	Very high	92.8	Very high	87 Å²	87	50.8 Å²	50.8	61%	0.608	28%	0.276	S	S	*	.	H	α-helix	trans	-62	-38.4	174.3	60.9	0	0	0	0	111.7	E58 A59	E58-S62 PolarHBondContact O-N 3.48Å; A59-S62 PolarHBondContact O-N 3.49Å; A59-S62 PolarHBondContact O-OG 3.44Å
63	D	81.7	Confident	92.1	Very high	143 Å²	143	48.3 Å²	48.3	77%	0.765	26%	0.26	S	S	*	.	S	Bend	trans	-101.4	-15.5	-169.2	-56.9	-9.8	0	0	0	113.3	R61	R61-D63 VanDerWaalsContact C-N 3.27Å; R61-D63 PolarHBondContact O-N 3.25Å
64	K	82	Confident	91.4	Very high	97 Å²	97	51.2 Å²	51.2	42%	0.422	28%	0.279	S	S	.	.			trans	-115.6	109.6	-172.1	-69.8	179.2	-178.4	168.9	0	111.1	R61	R61-K64 PolarHBondContact NH1-O 2.96Å
65	E	89.4	Confident	90.7	Very high	147 Å²	147	57.2 Å²	57.2	69%	0.687	31%	0.306	S	S	*	.			trans	-65.3	139.4	169.9	-165.8	175.8	88.8	0	0	111.2	D69 T70	E65-D69 HydrophobicContact CG-CB 4.12Å; E65-T70 HydrophobicContact CG-CG2 4.01Å; E65-T70 WeakPolarHBondContact OE1-CG2 3.42Å
66	A	92.9	Very high	90.4	Very high	4 Å²	4	52 Å²	52	3%	0.033	29%	0.287	C	S	.	.			trans	-122.9	159.7	173.5	0	0	0	0	0	111	V68 D69 Q245 T246	A66-V68 HydrophobicContact CB-CG1 4.24Å; A66-V68 PolarHBondContact O-N 3.01Å; A66-V68 VanDerWaalsContact O-N 3.07Å; A66-D69 PolarHBondContact N-OD2 3.17Å; A66-D69 VanDerWaalsContact O-CB 3.31Å; A66-D69 WeakPolarHBondContact O-CB 3.41Å; A66-D69 PolarHBondContact O-N 2.89Å; A66-Q245 HydrophobicContact CB-CB 4.46Å; A66-T246 HydrophobicContact CB-CG2 3.78Å
67	P	92.1	Very high	90	Very high	63 Å²	63	51.3 Å²	51.3	41%	0.409	29%	0.285	S	S	.	.	H	α-helix	trans	-50.3	-34.5	177.2	-30.2	34.7	0	0	0	115.2	D69 T70 S71 D102 Q245	P67-D69 PolarHBondContact O-N 3.09Å; P67-T70 PolarHBondContact O-N 2.95Å; P67-T70 PolarHBondContact O-OG1 3.27Å; P67-S71 WeakPolarHBondContact O-CA 3.49Å; P67-S71 WeakPolarHBondContact O-CB 3.44Å; P67-S71 PolarHBondContact O-N 3.32Å; P67-D102 HydrophobicContact CB-CB 4.32Å; P67-Q245 VanDerWaalsContact CD-OE1 3.28Å
68	V	92.2	Very high	89.6	Confident	16 Å²	16	54.3 Å²	54.3	10%	0.097	30%	0.299	C	S	.	.	H	α-helix	trans	-64.4	-23.2	176.3	70.4	0	0	0	0	113.4	A66 G72 D102 K238 V241 Q245	A66-V68 HydrophobicContact CB-CG1 4.24Å; A66-V68 PolarHBondContact O-N 3.01Å; A66-V68 VanDerWaalsContact O-N 3.07Å; V68-G72 VanDerWaalsContact O-CA 3.25Å; V68-G72 WeakPolarHBondContact O-CA 3.48Å; V68-G72 PolarHBondContact O-N 2.81Å; V68-D102 PolarHBondContact N-OD2 3.16Å; V68-K238 HydrophobicContact CG1-CG 4.37Å; V68-K238 HydrophobicContact CG2-CG 4.2Å; V68-V241 HydrophobicContact CB-CB 4.48Å; V68-V241 HydrophobicContact CB-CG1 3.72Å; V68-V241 HydrophobicContact CG1-CB 4.43Å; V68-V241 HydrophobicContact CG1-CG1 4.06Å; V68-V241 HydrophobicContact CG2-CB 4.27Å; V68-V241 HydrophobicContact CG2-CG1 3.78Å; V68-Q245 VanDerWaalsContact N-OE1 3.09Å
69	D	91.6	Very high	89.1	Confident	26 Å²	26	56.4 Å²	56.4	14%	0.139	32%	0.318	C	S	.	.	H	α-helix	trans	-79.6	-35.5	-179.2	-57.6	-48	0	0	0	112	R61 E65 A66 P67 K75 K238	R61-D69 IonicContact CZ-OD2 3.79Å; R61-D69 VanDerWaalsContact CZ-OD2 3.29Å; R61-D69 IonicContact NH1-OD2 2.73Å; R61-D69 PolarHBondContact NH1-OD2 3.05Å; R61-D69 IonicContact NH2-OD1 3.66Å; R61-D69 PolarHBondContact NH2-OD1 3.48Å; R61-D69 IonicContact NH2-OD2 2.77Å; R61-D69 PolarHBondContact NH2-OD2 2.94Å; E65-D69 HydrophobicContact CG-CB 4.12Å; A66-D69 PolarHBondContact N-OD2 3.17Å; A66-D69 VanDerWaalsContact O-CB 3.31Å; A66-D69 WeakPolarHBondContact O-CB 3.41Å; A66-D69 PolarHBondContact O-N 2.89Å; P67-D69 PolarHBondContact O-N 3.09Å; D69-K75 WeakPolarHBondContact O-CD 3.16Å; D69-K75 VanDerWaalsContact O-CE 3.28Å; D69-K75 WeakPolarHBondContact O-CE 3.38Å; D69-K75 PolarHBondContact O-NZ 3.25Å; D69-K238 WeakPolarHBondContact OD1-CE 3.31Å; D69-K238 IonicContact OD1-NZ 3.63Å
70	T	88	Confident	88.7	Confident	68 Å²	68	61.8 Å²	61.8	42%	0.417	34%	0.34	S	S	.	.	H	α-helix	trans	-93.8	-39.6	-179.1	54.3	0	0	0	0	112.7	E65 P67	E65-T70 HydrophobicContact CG-CG2 4.01Å; E65-T70 WeakPolarHBondContact OE1-CG2 3.42Å; P67-T70 PolarHBondContact O-N 2.95Å; P67-T70 PolarHBondContact O-OG1 3.27Å
71	S	86.3	Confident	88.6	Confident	25 Å²	25	61.9 Å²	61.9	18%	0.175	34%	0.344	C	S	.	.	H	α-helix	trans	-117.1	13.6	-170.7	-59	0	0	0	0	113.3	P67	P67-S71 WeakPolarHBondContact O-CA 3.49Å; P67-S71 WeakPolarHBondContact O-CB 3.44Å; P67-S71 PolarHBondContact O-N 3.32Å
72	G	84.2	Confident	88.5	Confident	3 Å²	3	64.3 Å²	64.3	3%	0.031	36%	0.359	C	S	.	.			trans	-62.5	145.1	178.5	0	0	0	0	0	113	V68 C74 K75	V68-G72 VanDerWaalsContact O-CA 3.25Å; V68-G72 WeakPolarHBondContact O-CA 3.48Å; V68-G72 PolarHBondContact O-N 2.81Å; G72-C74 PolarHBondContact O-N 3.02Å; G72-K75 PolarHBondContact O-N 3.03Å
73	C	84.8	Confident	88.6	Confident	16 Å²	16	64 Å²	64	11%	0.108	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-54.7	-31.5	-174.7	-63	0	0	0	0	114	K75 L76 A93 L94 S97	C73-K75 PolarHBondContact O-N 3.44Å; C73-L76 PolarHBondContact O-N 2.72Å; C73-A93 HydrophobicContact CB-CB 4.06Å; C73-L94 HydrophobicContact CB-CD2 4.04Å; C73-L94 HydrophobicContact CB-CG 4.39Å; C73-S97 VanDerWaalsContact SG-CB 3.56Å
74	C	82.2	Confident	89.3	Confident	62 Å²	62	60.7 Å²	60.7	42%	0.419	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-63.3	-19.3	178.1	55.1	0	0	0	0	114.2	G72 I186	G72-C74 PolarHBondContact O-N 3.02Å; C74-I186 HydrophobicContact CB-CD1 3.81Å; C74-I186 HydrophobicContact CB-CG1 4.35Å; C74-I186 HydrophobicContact CB-CG2 4.34Å
75	K	84.2	Confident	90	Very high	127 Å²	127	57.1 Å²	57.1	55%	0.552	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-100.5	-1.7	-179.3	-66.1	-172.7	172.6	-174.9	0	113.8	D69 G72 C73	D69-K75 WeakPolarHBondContact O-CD 3.16Å; D69-K75 VanDerWaalsContact O-CE 3.28Å; D69-K75 WeakPolarHBondContact O-CE 3.38Å; D69-K75 PolarHBondContact O-NZ 3.25Å; G72-K75 PolarHBondContact O-N 3.03Å; C73-K75 PolarHBondContact O-N 3.44Å
76	L	90.4	Very high	90.4	Very high	13 Å²	13	53.6 Å²	53.6	7%	0.068	30%	0.302	C	S	.	.			trans	-88.5	-17.8	-170.1	-61.9	-177.9	0	0	0	114	C73 A93 T105 A106 M109 K113	C73-L76 PolarHBondContact O-N 2.72Å; L76-A93 HydrophobicContact CB-CB 4.22Å; L76-A93 HydrophobicContact CD1-CB 4.04Å; L76-T105 HydrophobicContact CD1-CG2 4.12Å; L76-A106 HydrophobicContact CD1-CB 4.38Å; L76-A106 HydrophobicContact CD2-CB 3.75Å; L76-M109 HydrophobicContact CB-CB 4.31Å; L76-M109 HydrophobicContact CB-CG 4.27Å; L76-M109 HydrophobicContact CD1-CB 4.2Å; L76-M109 HydrophobicContact CD1-CG 3.85Å; L76-K113 WeakPolarHBondContact O-CE 3.38Å; L76-K113 PolarHBondContact O-NZ 3.24Å
77	S	90.2	Very high	90.6	Very high	29 Å²	29	55.2 Å²	55.2	20%	0.203	31%	0.308	C	S	.	.	S	Bend	trans	-69.3	147.5	175.2	-55.8	0	0	0	0	112	K86 L90	S77-K86 PolarHBondContact OG-O 3.2Å; S77-L90 PolarHBondContact OG-N 3.1Å
78	E	89.5	Confident	90.9	Very high	64 Å²	64	52.4 Å²	52.4	30%	0.299	29%	0.289	S	S	.	.			trans	-71.6	130.1	179.3	-69.3	178	131.3	0	0	111.6	N80 A81 K86 Q89 K113	E78-N80 VanDerWaalsContact C-N 3.26Å; E78-N80 PolarHBondContact O-N 3.14Å; E78-A81 HydrophobicContact CB-CB 3.88Å; E78-A81 PolarHBondContact O-N 3.28Å; E78-K86 WeakPolarHBondContact O-CE 3.48Å; E78-K86 WeakPolarHBondContact O-CG 3.37Å; E78-Q89 PolarHBondContact OE2-NE2 2.78Å; E78-K113 HydrophobicContact CG-CD 3.33Å; E78-K113 HydrophobicContact CG-CG 4.02Å
79	P	86.4	Confident	91.1	Very high	103 Å²	103	51.6 Å²	51.6	67%	0.669	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-25.5	-177.3	25.2	-32.7	0	0	0	113.2	K86	P79-K86 VanDerWaalsContact C-CE 3.49Å; P79-K86 WeakPolarHBondContact O-CE 3.42Å; P79-K86 PolarHBondContact O-NZ 2.82Å
80	N	90.1	Very high	91.4	Very high	160 Å²	160	50.6 Å²	50.6	86%	0.856	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-2.9	-175.9	-61.8	-17.5	0	0	0	113.7	E78	E78-N80 VanDerWaalsContact C-N 3.26Å; E78-N80 PolarHBondContact O-N 3.14Å
81	A	92.4	Very high	91.9	Very high	19 Å²	19	47.3 Å²	47.3	16%	0.157	26%	0.259	C	S	.	.	S	Bend	trans	-70.9	157	176	0	0	0	0	0	111.5	E78 T85 K86	E78-A81 HydrophobicContact CB-CB 3.88Å; E78-A81 PolarHBondContact O-N 3.28Å; A81-T85 HydrophobicContact CB-CG2 3.83Å; A81-K86 HydrophobicContact CB-CG 4.03Å; A81-K86 WeakPolarHBondContact O-CD 3.44Å; A81-K86 WeakPolarHBondContact O-CE 3.47Å; A81-K86 PolarHBondContact O-NZ 2.8Å
82	D	95.1	Very high	92.5	Very high	79 Å²	79	46.1 Å²	46.1	42%	0.422	25%	0.25	S	S	.	.			trans	-63.4	161.2	173.6	73	85.5	0	0	0	111.2	K84 T85 K86	D82-K84 VanDerWaalsContact C-N 3.34Å; D82-K84 PolarHBondContact O-N 3.21Å; D82-K84 WeakPolarHBondContact OD1-CA 3.47Å; D82-K84 WeakPolarHBondContact OD1-CB 3.5Å; D82-K84 PolarHBondContact OD1-N 2.87Å; D82-T85 PolarHBondContact O-N 3.46Å; D82-T85 PolarHBondContact OD1-N 3.45Å; D82-T85 WeakPolarHBondContact OD2-CB 3.25Å; D82-T85 PolarHBondContact OD2-OG1 2.99Å; D82-K86 WeakPolarHBondContact O-CG 3.26Å; D82-K86 PolarHBondContact O-N 3.39Å
83	P	95.4	Very high	93.1	Very high	80 Å²	80	46 Å²	46	52%	0.519	25%	0.249	S	C	.	.	H	α-helix	trans	-58.1	-38.1	-176.4	-26.7	35.9	0	0	0	114.8	R87	P83-R87 WeakPolarHBondContact O-CG 3.44Å; P83-R87 PolarHBondContact O-N 2.99Å
84	K	96.5	Very high	93.7	Very high	73 Å²	73	45.3 Å²	45.3	32%	0.317	24%	0.244	S	C	.	.	H	α-helix	trans	-68.4	-46.4	-180	-68	-170.3	173	-175.2	0	109.8	D82 K86 R87 Y88 D159 D161	D82-K84 VanDerWaalsContact C-N 3.34Å; D82-K84 PolarHBondContact O-N 3.21Å; D82-K84 WeakPolarHBondContact OD1-CA 3.47Å; D82-K84 WeakPolarHBondContact OD1-CB 3.5Å; D82-K84 PolarHBondContact OD1-N 2.87Å; K84-K86 VanDerWaalsContact C-N 3.35Å; K84-K86 PolarHBondContact O-N 2.95Å; K84-R87 PolarHBondContact O-N 3.07Å; K84-Y88 WeakPolarHBondContact O-CB 3.46Å; K84-Y88 PolarHBondContact O-N 3.42Å; K84-D159 PolarHBondContact NZ-O 3.38Å; K84-D159 IonicContact NZ-OD2 2.71Å; K84-D159 PolarHBondContact NZ-OD2 2.96Å; K84-D161 HydrophobicContact CD-CB 4.12Å; K84-D161 HydrophobicContact CG-CB 4.12Å
85	T	96.9	Very high	94.4	Very high	23 Å²	23	42.7 Å²	42.7	14%	0.141	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-41.6	176.8	-63.7	0	0	0	0	112	A81 D82 R87 Y88 Q89	A81-T85 HydrophobicContact CB-CG2 3.83Å; D82-T85 PolarHBondContact O-N 3.46Å; D82-T85 PolarHBondContact OD1-N 3.45Å; D82-T85 WeakPolarHBondContact OD2-CB 3.25Å; D82-T85 PolarHBondContact OD2-OG1 2.99Å; T85-R87 VanDerWaalsContact C-N 3.35Å; T85-R87 PolarHBondContact O-N 3.34Å; T85-Y88 PolarHBondContact O-N 3.5Å; T85-Q89 HydrophobicContact CG2-CG 4.25Å; T85-Q89 WeakPolarHBondContact O-CB 3.28Å; T85-Q89 VanDerWaalsContact O-CG 3.25Å; T85-Q89 WeakPolarHBondContact O-CG 3.21Å; T85-Q89 PolarHBondContact O-N 3.32Å
86	K	96.6	Very high	95	Very high	72 Å²	72	36.7 Å²	36.7	31%	0.313	20%	0.2	S	C	.	.	H	α-helix	trans	-58.6	-44.2	175.6	-79.7	172.4	172.1	151.1	0	112.9	S77 E78 P79 A81 D82 K84 L90	S77-K86 PolarHBondContact OG-O 3.2Å; E78-K86 WeakPolarHBondContact O-CE 3.48Å; E78-K86 WeakPolarHBondContact O-CG 3.37Å; P79-K86 VanDerWaalsContact C-CE 3.49Å; P79-K86 WeakPolarHBondContact O-CE 3.42Å; P79-K86 PolarHBondContact O-NZ 2.82Å; A81-K86 HydrophobicContact CB-CG 4.03Å; A81-K86 WeakPolarHBondContact O-CD 3.44Å; A81-K86 WeakPolarHBondContact O-CE 3.47Å; A81-K86 PolarHBondContact O-NZ 2.8Å; D82-K86 WeakPolarHBondContact O-CG 3.26Å; D82-K86 PolarHBondContact O-N 3.39Å; K84-K86 VanDerWaalsContact C-N 3.35Å; K84-K86 PolarHBondContact O-N 2.95Å; K86-L90 WeakPolarHBondContact O-CB 3.42Å; K86-L90 PolarHBondContact O-N 3.26Å
87	R	97.4	Very high	95.3	Very high	39 Å²	39	36.6 Å²	36.6	15%	0.147	20%	0.2	C	C	.	.	H	α-helix	trans	-68	-40.4	178.3	-74.2	-171.2	-71	-92.3	3.8	111.9	P83 K84 T85 L90 L91 D161 I162 A187	P83-R87 WeakPolarHBondContact O-CG 3.44Å; P83-R87 PolarHBondContact O-N 2.99Å; K84-R87 PolarHBondContact O-N 3.07Å; T85-R87 VanDerWaalsContact C-N 3.35Å; T85-R87 PolarHBondContact O-N 3.34Å; R87-L90 WeakPolarHBondContact O-CB 3.27Å; R87-L90 PolarHBondContact O-N 3.34Å; R87-L91 PolarHBondContact O-N 3.01Å; R87-D161 IonicContact CZ-OD1 3.64Å; R87-D161 IonicContact CZ-OD2 3.27Å; R87-D161 VanDerWaalsContact CZ-OD2 3.27Å; R87-D161 IonicContact NE-OD1 2.81Å; R87-D161 PolarHBondContact NE-OD1 3.37Å; R87-D161 IonicContact NE-OD2 3.16Å; R87-D161 PolarHBondContact NE-OD2 3.34Å; R87-D161 VanDerWaalsContact NE-OD2 3.16Å; R87-D161 IonicContact NH2-OD1 3.61Å; R87-D161 IonicContact NH2-OD2 2.66Å; R87-D161 PolarHBondContact NH2-OD2 2.93Å; R87-I162 HydrophobicContact CB-CD1 3.84Å; R87-I162 HydrophobicContact CB-CG1 3.95Å; R87-I162 HydrophobicContact CB-CG2 4.45Å; R87-I162 HydrophobicContact CG-CD1 4.39Å; R87-A187 HydrophobicContact CB-CB 4.48Å; R87-A187 HydrophobicContact CG-CB 3.74Å
88	Y	97.9	Very high	95.4	Very high	3 Å²	3	37 Å²	37	1%	0.012	20%	0.203	C	C	.	.	H	α-helix	trans	-61.3	-48.7	173.4	178.5	-109.8	0	0	0	111.8	K84 T85 L90 L91 L92 L119 V122 S151 L154	K84-Y88 WeakPolarHBondContact O-CB 3.46Å; K84-Y88 PolarHBondContact O-N 3.42Å; T85-Y88 PolarHBondContact O-N 3.5Å; Y88-L90 VanDerWaalsContact C-N 3.3Å; Y88-L90 PolarHBondContact O-N 2.79Å; Y88-L91 WeakPolarHBondContact O-CB 3.24Å; Y88-L91 PolarHBondContact O-N 3.41Å; Y88-L92 HydrophobicContact CD1-CD1 4.1Å; Y88-L92 HydrophobicContact CD1-CG 4.38Å; Y88-L92 HydrophobicContact CE1-CD1 3.44Å; Y88-L92 VanDerWaalsContact CE1-CD1 3.44Å; Y88-L92 HydrophobicContact CE1-CD2 4.44Å; Y88-L92 HydrophobicContact CE1-CG 3.97Å; Y88-L92 HydrophobicContact CE2-CD2 4.07Å; Y88-L92 HydrophobicContact CE2-CG 4.24Å; Y88-L92 WeakPolarHBondContact O-CG 3.09Å; Y88-L92 PolarHBondContact O-N 2.92Å; Y88-L119 HydrophobicContact CD1-CB 4.39Å; Y88-L119 HydrophobicContact CD2-CB 4.44Å; Y88-L119 HydrophobicContact CD2-CD1 4.45Å; Y88-L119 HydrophobicContact CE1-CB 4.3Å; Y88-L119 HydrophobicContact CE2-CB 4.36Å; Y88-L119 HydrophobicContact CE2-CD1 4.46Å; Y88-L119 HydrophobicContact CG-CB 4.45Å; Y88-V122 HydrophobicContact CE1-CG2 4.14Å; Y88-V122 VanDerWaalsContact OH-CB 3.24Å; Y88-V122 WeakPolarHBondContact OH-CB 3.24Å; Y88-V122 VanDerWaalsContact OH-CG1 3.24Å; Y88-V122 WeakPolarHBondContact OH-CG1 3.27Å; Y88-V122 WeakPolarHBondContact OH-CG2 3.21Å; Y88-S151 PolarHBondContact OH-OG 2.68Å; Y88-L154 HydrophobicContact CD2-CD1 3.83Å; Y88-L154 HydrophobicContact CE2-CD1 4.14Å
89	Q	97.8	Very high	95.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.3	-38.2	176.8	-71.5	178.2	1.6	0	0	112.6	E78 T85 L92 A93 M109 C117	E78-Q89 PolarHBondContact OE2-NE2 2.78Å; T85-Q89 HydrophobicContact CG2-CG 4.25Å; T85-Q89 WeakPolarHBondContact O-CB 3.28Å; T85-Q89 VanDerWaalsContact O-CG 3.25Å; T85-Q89 WeakPolarHBondContact O-CG 3.21Å; T85-Q89 PolarHBondContact O-N 3.32Å; Q89-L92 PolarHBondContact O-N 2.64Å; Q89-A93 WeakPolarHBondContact O-CB 3.05Å; Q89-A93 PolarHBondContact O-N 2.91Å; Q89-M109 HydrophobicContact CB-CE 4.14Å; Q89-M109 VanDerWaalsContact O-CE 3.28Å; Q89-M109 WeakPolarHBondContact O-CE 3.48Å; Q89-C117 HydrophobicContact CG-CB 4.2Å; Q89-C117 WeakPolarHBondContact CG-O 3.31Å; Q89-C117 PolarHBondContact NE2-O 3.4Å
90	L	97.5	Very high	95.9	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-61.2	-46	172.7	168.6	69.6	0	0	0	111.2	S77 K86 R87 Y88 A93 L94 I186 A187	S77-L90 PolarHBondContact OG-N 3.1Å; K86-L90 WeakPolarHBondContact O-CB 3.42Å; K86-L90 PolarHBondContact O-N 3.26Å; R87-L90 WeakPolarHBondContact O-CB 3.27Å; R87-L90 PolarHBondContact O-N 3.34Å; Y88-L90 VanDerWaalsContact C-N 3.3Å; Y88-L90 PolarHBondContact O-N 2.79Å; L90-A93 WeakPolarHBondContact O-CB 3.42Å; L90-A93 PolarHBondContact O-N 3.29Å; L90-L94 HydrophobicContact CD1-CD1 4.24Å; L90-L94 HydrophobicContact CD1-CG 4.4Å; L90-L94 HydrophobicContact CG-CD1 4.2Å; L90-L94 WeakPolarHBondContact O-CG 3.45Å; L90-L94 PolarHBondContact O-N 3.02Å; L90-I186 HydrophobicContact CD1-CB 4.26Å; L90-I186 HydrophobicContact CD1-CD1 3.89Å; L90-I186 HydrophobicContact CD1-CG2 3.96Å; L90-I186 HydrophobicContact CD2-CB 3.69Å; L90-I186 HydrophobicContact CD2-CG2 3.68Å; L90-I186 HydrophobicContact CG-CG2 4.45Å; L90-A187 HydrophobicContact CD2-CB 3.96Å
91	L	98.1	Very high	96	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.9	-44.3	178.1	-179.8	62.7	0	0	0	111.1	R87 Y88 A93 L94 M95 T150 L154 I162 L169 L172 V175	R87-L91 PolarHBondContact O-N 3.01Å; Y88-L91 WeakPolarHBondContact O-CB 3.24Å; Y88-L91 PolarHBondContact O-N 3.41Å; L91-A93 PolarHBondContact O-N 2.7Å; L91-L94 PolarHBondContact O-N 3.36Å; L91-M95 HydrophobicContact CD1-CG 4.43Å; L91-M95 HydrophobicContact CG-SD 4.15Å; L91-M95 VanDerWaalsContact O-CG 3.31Å; L91-M95 WeakPolarHBondContact O-CG 3.49Å; L91-M95 PolarHBondContact O-N 3.36Å; L91-T150 HydrophobicContact CD2-CG2 4.03Å; L91-L154 HydrophobicContact CD2-CD1 4.09Å; L91-I162 HydrophobicContact CB-CG2 4.03Å; L91-I162 HydrophobicContact CD2-CB 4.35Å; L91-I162 HydrophobicContact CD2-CG2 3.68Å; L91-I162 HydrophobicContact CG-CG2 4.48Å; L91-L169 HydrophobicContact CD1-CD2 4.31Å; L91-L172 HydrophobicContact CD2-CD1 3.88Å; L91-V175 HydrophobicContact CD1-CG2 4.02Å
92	L	97.8	Very high	96	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.3	-46	174.7	-65.9	-169.6	0	0	0	111.8	Y88 Q89 L94 M95 L96 M109 V122 I147	Y88-L92 HydrophobicContact CD1-CD1 4.1Å; Y88-L92 HydrophobicContact CD1-CG 4.38Å; Y88-L92 HydrophobicContact CE1-CD1 3.44Å; Y88-L92 VanDerWaalsContact CE1-CD1 3.44Å; Y88-L92 HydrophobicContact CE1-CD2 4.44Å; Y88-L92 HydrophobicContact CE1-CG 3.97Å; Y88-L92 HydrophobicContact CE2-CD2 4.07Å; Y88-L92 HydrophobicContact CE2-CG 4.24Å; Y88-L92 WeakPolarHBondContact O-CG 3.09Å; Y88-L92 PolarHBondContact O-N 2.92Å; Q89-L92 PolarHBondContact O-N 2.64Å; L92-L94 VanDerWaalsContact C-N 3.31Å; L92-L94 PolarHBondContact O-N 3.29Å; L92-M95 PolarHBondContact O-N 3.08Å; L92-L96 WeakPolarHBondContact O-CB 3.34Å; L92-L96 VanDerWaalsContact O-CG 3.26Å; L92-L96 WeakPolarHBondContact O-CG 3.44Å; L92-L96 PolarHBondContact O-N 3.39Å; L92-M109 HydrophobicContact CB-CE 4.35Å; L92-M109 HydrophobicContact CB-SD 4.1Å; L92-V122 HydrophobicContact CD1-CG2 4.39Å; L92-I147 HydrophobicContact CD2-CB 4.3Å; L92-I147 HydrophobicContact CD2-CD1 4.33Å; L92-I147 HydrophobicContact CD2-CG1 3.97Å; L92-I147 HydrophobicContact CD2-CG2 3.54Å
93	A	97.7	Very high	95.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-56.8	-45	176	0	0	0	0	0	111.6	C73 L76 Q89 L90 L91 L96 S97 M109	C73-A93 HydrophobicContact CB-CB 4.06Å; L76-A93 HydrophobicContact CB-CB 4.22Å; L76-A93 HydrophobicContact CD1-CB 4.04Å; Q89-A93 WeakPolarHBondContact O-CB 3.05Å; Q89-A93 PolarHBondContact O-N 2.91Å; L90-A93 WeakPolarHBondContact O-CB 3.42Å; L90-A93 PolarHBondContact O-N 3.29Å; L91-A93 PolarHBondContact O-N 2.7Å; A93-L96 PolarHBondContact O-N 2.85Å; A93-S97 WeakPolarHBondContact O-CB 3.34Å; A93-S97 PolarHBondContact O-N 3.26Å; A93-M109 HydrophobicContact CB-CE 4.27Å; A93-M109 HydrophobicContact CB-CG 4.03Å; A93-M109 HydrophobicContact CB-SD 4.08Å
94	L	97.2	Very high	95.9	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-63	-46	176.9	-72.1	169.1	0	0	0	112.1	C73 L90 L91 L92 L96 S97 M179 L182 A183	C73-L94 HydrophobicContact CB-CD2 4.04Å; C73-L94 HydrophobicContact CB-CG 4.39Å; L90-L94 HydrophobicContact CD1-CD1 4.24Å; L90-L94 HydrophobicContact CD1-CG 4.4Å; L90-L94 HydrophobicContact CG-CD1 4.2Å; L90-L94 WeakPolarHBondContact O-CG 3.45Å; L90-L94 PolarHBondContact O-N 3.02Å; L91-L94 PolarHBondContact O-N 3.36Å; L92-L94 VanDerWaalsContact C-N 3.31Å; L92-L94 PolarHBondContact O-N 3.29Å; L94-L96 VanDerWaalsContact C-N 3.34Å; L94-L96 PolarHBondContact O-N 2.94Å; L94-S97 PolarHBondContact O-N 3.05Å; L94-S97 PolarHBondContact O-OG 2.92Å; L94-M179 HydrophobicContact CB-CB 4.35Å; L94-M179 HydrophobicContact CB-CG 4.27Å; L94-M179 WeakPolarHBondContact O-CE 3.43Å; L94-L182 HydrophobicContact CD1-CB 4.4Å; L94-L182 HydrophobicContact CD2-CB 4.05Å; L94-L182 HydrophobicContact CD2-CD1 4.05Å; L94-A183 HydrophobicContact CD1-CB 3.75Å
95	M	97.7	Very high	96	Very high	7 Å²	7	31.9 Å²	31.9	3%	0.034	17%	0.166	C	C	.	.	H	α-helix	trans	-59.9	-44.3	177	-69.2	176.2	75.1	0	0	111.6	L91 L92 S97 S98 A146 I147 T150 P173 V175 M179	L91-M95 HydrophobicContact CD1-CG 4.43Å; L91-M95 HydrophobicContact CG-SD 4.15Å; L91-M95 VanDerWaalsContact O-CG 3.31Å; L91-M95 WeakPolarHBondContact O-CG 3.49Å; L91-M95 PolarHBondContact O-N 3.36Å; L92-M95 PolarHBondContact O-N 3.08Å; M95-S97 VanDerWaalsContact C-N 3.35Å; M95-S97 PolarHBondContact O-N 2.98Å; M95-S98 PolarHBondContact O-OG 3.46Å; M95-A146 HydrophobicContact CE-CB 4.05Å; M95-I147 HydrophobicContact CE-CG1 3.86Å; M95-I147 HydrophobicContact SD-CG1 4.24Å; M95-T150 HydrophobicContact SD-CG2 4.27Å; M95-P173 VanDerWaalsContact CE-O 3.3Å; M95-P173 WeakPolarHBondContact CE-O 3.47Å; M95-V175 HydrophobicContact CG-CG2 4Å; M95-V175 HydrophobicContact SD-CG2 4.2Å; M95-M179 HydrophobicContact CG-SD 4.42Å
96	L	97.4	Very high	95.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-67.8	-32.1	178.1	-67.4	178.2	0	0	0	112.7	L92 A93 L94 S98 T100 T105 A108 M109 L112 I134 V137 K143 I147	L92-L96 WeakPolarHBondContact O-CB 3.34Å; L92-L96 VanDerWaalsContact O-CG 3.26Å; L92-L96 WeakPolarHBondContact O-CG 3.44Å; L92-L96 PolarHBondContact O-N 3.39Å; A93-L96 PolarHBondContact O-N 2.85Å; L94-L96 VanDerWaalsContact C-N 3.34Å; L94-L96 PolarHBondContact O-N 2.94Å; L96-S98 VanDerWaalsContact C-N 3.27Å; L96-S98 PolarHBondContact O-N 3.38Å; L96-T100 WeakPolarHBondContact O-CB 3.07Å; L96-T100 PolarHBondContact O-OG1 3.26Å; L96-T105 HydrophobicContact CB-CG2 3.94Å; L96-A108 HydrophobicContact CD1-CB 4.27Å; L96-M109 HydrophobicContact CD1-CG 4.28Å; L96-M109 HydrophobicContact CD1-SD 3.76Å; L96-L112 HydrophobicContact CD1-CD1 3.94Å; L96-I134 HydrophobicContact CD1-CG2 4.21Å; L96-I134 HydrophobicContact CD2-CB 4.06Å; L96-I134 HydrophobicContact CD2-CD1 3.95Å; L96-I134 HydrophobicContact CD2-CG2 4.01Å; L96-V137 HydrophobicContact CD2-CG1 4.1Å; L96-V137 HydrophobicContact CD2-CG2 4.44Å; L96-K143 HydrophobicContact CD2-CD 4.36Å; L96-K143 PolarHBondContact O-NZ 3.46Å; L96-I147 HydrophobicContact CD2-CD1 3.76Å; L96-I147 HydrophobicContact CG-CD1 4.26Å
97	S	95.5	Very high	95.9	Very high	11 Å²	11	30.2 Å²	30.2	8%	0.077	17%	0.168	C	C	.	.	H	α-helix	trans	-66.5	-22.4	-178.3	76.4	0	0	0	0	114.7	C73 A93 L94 M95 Q99 T100	C73-S97 VanDerWaalsContact SG-CB 3.56Å; A93-S97 WeakPolarHBondContact O-CB 3.34Å; A93-S97 PolarHBondContact O-N 3.26Å; L94-S97 PolarHBondContact O-N 3.05Å; L94-S97 PolarHBondContact O-OG 2.92Å; M95-S97 VanDerWaalsContact C-N 3.35Å; M95-S97 PolarHBondContact O-N 2.98Å; S97-Q99 PolarHBondContact O-N 3.3Å; S97-Q99 VanDerWaalsContact O-N 3.09Å; S97-T100 PolarHBondContact O-N 3.45Å; S97-T100 VanDerWaalsContact O-N 3.09Å
98	S	92.4	Very high	95.9	Very high	38 Å²	38	28.3 Å²	28.3	27%	0.266	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	119.6	-177.9	52.6	0	0	0	0	111.7	M95 L96 T100 K143 M179	M95-S98 PolarHBondContact O-OG 3.46Å; L96-S98 VanDerWaalsContact C-N 3.27Å; L96-S98 PolarHBondContact O-N 3.38Å; S98-T100 PolarHBondContact O-N 2.9Å; S98-T100 VanDerWaalsContact O-N 3.16Å; S98-T100 PolarHBondContact O-OG1 3.06Å; S98-K143 PolarHBondContact O-NZ 2.97Å; S98-K143 WeakPolarHBondContact OG-CE 3.28Å; S98-M179 VanDerWaalsContact CB-CE 3.42Å
99	Q	91.6	Very high	95.9	Very high	152 Å²	152	28.2 Å²	28.2	71%	0.71	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	35.3	-179.1	-55.2	178.3	72.4	0	0	112.7	S97 S138 F139	S97-Q99 PolarHBondContact O-N 3.3Å; S97-Q99 VanDerWaalsContact O-N 3.09Å; Q99-S138 VanDerWaalsContact O-CB 3.27Å; Q99-S138 WeakPolarHBondContact O-CB 3.5Å; Q99-S138 PolarHBondContact O-OG 3.03Å; Q99-S138 VanDerWaalsContact O-OG 3.12Å; Q99-F139 HydrophobicContact CB-CE2 4.37Å
100	T	94.1	Very high	95.8	Very high	17 Å²	17	33 Å²	33	10%	0.104	18%	0.183	C	C	.	.	S	Bend	trans	-136.7	142.2	178.7	-62.2	0	0	0	0	108.9	L96 S97 S98 V104 T105 V137 S138 K143	L96-T100 WeakPolarHBondContact O-CB 3.07Å; L96-T100 PolarHBondContact O-OG1 3.26Å; S97-T100 PolarHBondContact O-N 3.45Å; S97-T100 VanDerWaalsContact O-N 3.09Å; S98-T100 PolarHBondContact O-N 2.9Å; S98-T100 VanDerWaalsContact O-N 3.16Å; S98-T100 PolarHBondContact O-OG1 3.06Å; T100-V104 HydrophobicContact CG2-CB 3.84Å; T100-V104 HydrophobicContact CG2-CG1 3.85Å; T100-T105 WeakPolarHBondContact CG2-OG1 3.19Å; T100-V137 HydrophobicContact CG2-CB 4.38Å; T100-V137 HydrophobicContact CG2-CG1 4.12Å; T100-V137 HydrophobicContact CG2-CG2 4.2Å; T100-S138 WeakPolarHBondContact OG1-CB 3.41Å; T100-S138 PolarHBondContact OG1-N 3.09Å; T100-K143 PolarHBondContact OG1-NZ 3.29Å
101	K	92.6	Very high	95.8	Very high	169 Å²	169	36.2 Å²	36.2	74%	0.735	20%	0.195	S	C	*	.			trans	-67.7	141.8	178.7	-65.2	-178.9	179.9	178.6	0	110.3	A103 V104 T105	K101-A103 VanDerWaalsContact C-N 3.29Å; K101-A103 PolarHBondContact O-N 2.76Å; K101-V104 HydrophobicContact CB-CG2 4.26Å; K101-V104 WeakPolarHBondContact O-CB 3.48Å; K101-V104 PolarHBondContact O-N 3.15Å; K101-T105 PolarHBondContact O-N 3.18Å; K101-T105 VanDerWaalsContact O-N 3.07Å
102	D	92.9	Very high	95.8	Very high	25 Å²	25	36.3 Å²	36.3	13%	0.134	20%	0.195	C	C	.	.	H	α-helix	trans	-50.9	-45.3	-177.7	-60.1	-24.2	0	0	0	112.8	P67 V68 V104 T105 A106 Q245	P67-D102 HydrophobicContact CB-CB 4.32Å; V68-D102 PolarHBondContact N-OD2 3.16Å; D102-V104 VanDerWaalsContact C-N 3.32Å; D102-V104 PolarHBondContact O-N 3.35Å; D102-T105 PolarHBondContact O-N 2.78Å; D102-A106 WeakPolarHBondContact O-CB 3.42Å; D102-A106 PolarHBondContact O-N 2.78Å; D102-Q245 PolarHBondContact OD2-NE2 3.1Å
103	A	92.7	Very high	95.7	Very high	62 Å²	62	38.5 Å²	38.5	51%	0.512	21%	0.205	S	C	.	.	H	α-helix	trans	-61.9	-35.6	178.5	0	0	0	0	0	113.6	K101 A107	K101-A103 VanDerWaalsContact C-N 3.29Å; K101-A103 PolarHBondContact O-N 2.76Å; A103-A107 WeakPolarHBondContact O-CB 3.13Å; A103-A107 PolarHBondContact O-N 3.39Å
104	V	96.3	Very high	95.6	Very high	44 Å²	44	45.3 Å²	45.3	27%	0.267	24%	0.236	S	C	.	.	H	α-helix	trans	-72.1	-40.4	177.5	179.5	0	0	0	0	110.1	T100 K101 D102 A107 A108 P136 V137	T100-V104 HydrophobicContact CG2-CB 3.84Å; T100-V104 HydrophobicContact CG2-CG1 3.85Å; K101-V104 HydrophobicContact CB-CG2 4.26Å; K101-V104 WeakPolarHBondContact O-CB 3.48Å; K101-V104 PolarHBondContact O-N 3.15Å; D102-V104 VanDerWaalsContact C-N 3.32Å; D102-V104 PolarHBondContact O-N 3.35Å; V104-A107 PolarHBondContact O-N 2.87Å; V104-A108 WeakPolarHBondContact O-CB 3.25Å; V104-A108 PolarHBondContact O-N 3.33Å; V104-P136 HydrophobicContact CG1-CG 4.18Å; V104-V137 HydrophobicContact CG1-CG2 4.16Å
105	T	96.9	Very high	95.5	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-44.3	173.7	-61.6	0	0	0	0	111.5	L76 L96 T100 K101 D102 A107 A108 M109	L76-T105 HydrophobicContact CD1-CG2 4.12Å; L96-T105 HydrophobicContact CB-CG2 3.94Å; T100-T105 WeakPolarHBondContact CG2-OG1 3.19Å; K101-T105 PolarHBondContact O-N 3.18Å; K101-T105 VanDerWaalsContact O-N 3.07Å; D102-T105 PolarHBondContact O-N 2.78Å; T105-A107 PolarHBondContact O-N 2.81Å; T105-A108 PolarHBondContact O-N 2.88Å; T105-M109 WeakPolarHBondContact O-CG 3.46Å; T105-M109 PolarHBondContact O-N 3.27Å
106	A	96.2	Very high	95.4	Very high	18 Å²	18	51.1 Å²	51.1	15%	0.149	27%	0.273	C	S	.	.	H	α-helix	trans	-61	-45	177.1	0	0	0	0	0	111.9	L76 D102 A108 M109 H110	L76-A106 HydrophobicContact CD1-CB 4.38Å; L76-A106 HydrophobicContact CD2-CB 3.75Å; D102-A106 WeakPolarHBondContact O-CB 3.42Å; D102-A106 PolarHBondContact O-N 2.78Å; A106-A108 VanDerWaalsContact C-N 3.34Å; A106-A108 PolarHBondContact O-N 3.45Å; A106-M109 PolarHBondContact O-N 3.02Å; A106-H110 WeakPolarHBondContact O-CB 3.43Å; A106-H110 PolarHBondContact O-N 3.03Å
107	A	96.4	Very high	95.3	Very high	42 Å²	42	51.3 Å²	51.3	35%	0.347	27%	0.274	S	S	.	.	H	α-helix	trans	-63.3	-38.6	176.3	0	0	0	0	0	112.6	A103 V104 T105 H110 R111	A103-A107 WeakPolarHBondContact O-CB 3.13Å; A103-A107 PolarHBondContact O-N 3.39Å; V104-A107 PolarHBondContact O-N 2.87Å; T105-A107 PolarHBondContact O-N 2.81Å; A107-H110 PolarHBondContact O-N 3.32Å; A107-R111 PolarHBondContact O-N 3.22Å; A107-R111 VanDerWaalsContact O-N 3.14Å; A107-R111 PolarHBondContact O-NH1 3.21Å
108	A	97.6	Very high	95.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.9	-45.2	174.5	0	0	0	0	0	112.3	L96 V104 T105 A106 H110 R111 L112 I134 V137	L96-A108 HydrophobicContact CD1-CB 4.27Å; V104-A108 WeakPolarHBondContact O-CB 3.25Å; V104-A108 PolarHBondContact O-N 3.33Å; T105-A108 PolarHBondContact O-N 2.88Å; A106-A108 VanDerWaalsContact C-N 3.34Å; A106-A108 PolarHBondContact O-N 3.45Å; A108-H110 VanDerWaalsContact C-N 3.26Å; A108-H110 PolarHBondContact O-N 3.11Å; A108-R111 VanDerWaalsContact CA-NH2 3.33Å; A108-R111 PolarHBondContact O-N 3.46Å; A108-L112 PolarHBondContact O-N 2.93Å; A108-I134 HydrophobicContact CB-CB 4.46Å; A108-V137 HydrophobicContact CB-CG2 3.59Å
109	M	97.6	Very high	95.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-36.4	174.4	-74.6	-57.6	-61.4	0	0	111.8	L76 Q89 L92 A93 L96 T105 A106 L112 K113	L76-M109 HydrophobicContact CB-CB 4.31Å; L76-M109 HydrophobicContact CB-CG 4.27Å; L76-M109 HydrophobicContact CD1-CB 4.2Å; L76-M109 HydrophobicContact CD1-CG 3.85Å; Q89-M109 HydrophobicContact CB-CE 4.14Å; Q89-M109 VanDerWaalsContact O-CE 3.28Å; Q89-M109 WeakPolarHBondContact O-CE 3.48Å; L92-M109 HydrophobicContact CB-CE 4.35Å; L92-M109 HydrophobicContact CB-SD 4.1Å; A93-M109 HydrophobicContact CB-CE 4.27Å; A93-M109 HydrophobicContact CB-CG 4.03Å; A93-M109 HydrophobicContact CB-SD 4.08Å; L96-M109 HydrophobicContact CD1-CG 4.28Å; L96-M109 HydrophobicContact CD1-SD 3.76Å; T105-M109 WeakPolarHBondContact O-CG 3.46Å; T105-M109 PolarHBondContact O-N 3.27Å; A106-M109 PolarHBondContact O-N 3.02Å; M109-L112 PolarHBondContact O-N 3.5Å; M109-L112 HydrophobicContact SD-CD1 4.04Å; M109-K113 WeakPolarHBondContact O-CB 3.26Å; M109-K113 VanDerWaalsContact O-CG 3.26Å; M109-K113 WeakPolarHBondContact O-CG 3.47Å; M109-K113 PolarHBondContact O-N 3.46Å
110	H	96.4	Very high	95.8	Very high	100 Å²	100	48.9 Å²	48.9	46%	0.463	26%	0.261	S	S	.	.	H	α-helix	trans	-61.5	-48.8	175.2	-175.4	77.3	0	0	0	112	A106 A107 A108 L112 K113 Q114	A106-H110 WeakPolarHBondContact O-CB 3.43Å; A106-H110 PolarHBondContact O-N 3.03Å; A107-H110 PolarHBondContact O-N 3.32Å; A108-H110 VanDerWaalsContact C-N 3.26Å; A108-H110 PolarHBondContact O-N 3.11Å; H110-L112 PolarHBondContact O-N 3.08Å; H110-K113 PolarHBondContact O-N 2.73Å; H110-Q114 VanDerWaalsContact NE2-CD 3.33Å; H110-Q114 PolarHBondContact NE2-NE2 2.87Å; H110-Q114 WeakPolarHBondContact O-CG 3.39Å; H110-Q114 PolarHBondContact O-N 3.22Å
111	R	97.7	Very high	95.9	Very high	73 Å²	73	50.3 Å²	50.3	28%	0.275	27%	0.268	S	S	.	.	H	α-helix	trans	-62.4	-40.6	176.9	-70.9	-173.4	-61.5	-83.4	-3.6	112.8	A107 A108 K113 Q114 H115 L133 Y135	A107-R111 PolarHBondContact O-N 3.22Å; A107-R111 VanDerWaalsContact O-N 3.14Å; A107-R111 PolarHBondContact O-NH1 3.21Å; A108-R111 VanDerWaalsContact CA-NH2 3.33Å; A108-R111 PolarHBondContact O-N 3.46Å; R111-K113 VanDerWaalsContact C-N 3.34Å; R111-K113 PolarHBondContact O-N 2.73Å; R111-Q114 PolarHBondContact O-N 3.05Å; R111-H115 PolarHBondContact O-N 3Å; R111-H115 VanDerWaalsContact O-N 3.15Å; R111-L133 HydrophobicContact CB-CD2 4.38Å; R111-L133 PolarHBondContact NE-O 3.17Å; R111-L133 PolarHBondContact NH2-O 2.98Å; R111-L133 VanDerWaalsContact NH2-O 3.08Å; R111-Y135 PolarHBondContact NH2-O 3.44Å
112	L	97.1	Very high	96.1	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-59.9	-45	174.3	-76.7	172.2	0	0	0	111.6	L96 A108 M109 H110 H115 G116 C117 L130 L133 I134	L96-L112 HydrophobicContact CD1-CD1 3.94Å; A108-L112 PolarHBondContact O-N 2.93Å; M109-L112 PolarHBondContact O-N 3.5Å; M109-L112 HydrophobicContact SD-CD1 4.04Å; H110-L112 PolarHBondContact O-N 3.08Å; L112-H115 CarbonylContact O-C 3.49Å; L112-H115 PolarHBondContact O-N 3.18Å; L112-H115 VanDerWaalsContact O-N 3.17Å; L112-G116 PolarHBondContact O-N 3.37Å; L112-C117 HydrophobicContact CB-CB 4.23Å; L112-C117 PolarHBondContact O-N 3.36Å; L112-L130 HydrophobicContact CD2-CD1 3.62Å; L112-L133 HydrophobicContact CD2-CB 3.97Å; L112-L133 HydrophobicContact CD2-CD1 3.95Å; L112-L133 HydrophobicContact CG-CB 4.47Å; L112-I134 HydrophobicContact CD1-CG2 3.78Å; L112-I134 HydrophobicContact CD2-CG2 4.12Å; L112-I134 HydrophobicContact CG-CG2 4.06Å
113	K	95.7	Very high	96.4	Very high	46 Å²	46	43.5 Å²	43.5	20%	0.2	24%	0.239	C	C	.	.	H	α-helix	trans	-63.9	-44.2	178.5	-74.5	-174.9	-65.9	-178.1	0	112.6	L76 E78 M109 H110 R111 H115 G116 C117	L76-K113 WeakPolarHBondContact O-CE 3.38Å; L76-K113 PolarHBondContact O-NZ 3.24Å; E78-K113 HydrophobicContact CG-CD 3.33Å; E78-K113 HydrophobicContact CG-CG 4.02Å; M109-K113 WeakPolarHBondContact O-CB 3.26Å; M109-K113 VanDerWaalsContact O-CG 3.26Å; M109-K113 WeakPolarHBondContact O-CG 3.47Å; M109-K113 PolarHBondContact O-N 3.46Å; H110-K113 PolarHBondContact O-N 2.73Å; R111-K113 VanDerWaalsContact C-N 3.34Å; R111-K113 PolarHBondContact O-N 2.73Å; K113-H115 PolarHBondContact O-N 3.28Å; K113-G116 PolarHBondContact O-N 3.22Å; K113-C117 HydrophobicContact CB-CB 4.46Å; K113-C117 HydrophobicContact CG-CB 3.93Å
114	Q	95.2	Very high	96.6	Very high	142 Å²	142	44.3 Å²	44.3	66%	0.664	25%	0.246	S	C	*	.	H	α-helix	trans	-58.7	-28.8	174	-73	-175.4	-45.9	0	0	112.9	H110 R111	H110-Q114 VanDerWaalsContact NE2-CD 3.33Å; H110-Q114 PolarHBondContact NE2-NE2 2.87Å; H110-Q114 WeakPolarHBondContact O-CG 3.39Å; H110-Q114 PolarHBondContact O-N 3.22Å; R111-Q114 PolarHBondContact O-N 3.05Å
115	H	95.5	Very high	96.7	Very high	96 Å²	96	42.6 Å²	42.6	44%	0.444	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-5.3	175.7	-159.2	76.4	0	0	0	113.9	R111 L112 K113 N121 M125 L133	R111-H115 PolarHBondContact O-N 3Å; R111-H115 VanDerWaalsContact O-N 3.15Å; L112-H115 CarbonylContact O-C 3.49Å; L112-H115 PolarHBondContact O-N 3.18Å; L112-H115 VanDerWaalsContact O-N 3.17Å; K113-H115 PolarHBondContact O-N 3.28Å; H115-N121 PolarHBondContact CD2-ND2 2.96Å; H115-N121 PolarHBondContact O-ND2 3.25Å; H115-M125 VanDerWaalsContact CD2-SD 3.52Å; H115-L133 HydrophobicContact CB-CD1 3.91Å; H115-L133 HydrophobicContact CB-CD2 4.37Å
116	G	94.7	Very high	96.7	Very high	36 Å²	36	46 Å²	46	37%	0.371	26%	0.257	S	S	.	.			trans	91.9	79.9	-173.6	0	0	0	0	0	112.4	L112 K113 S118 N121	L112-G116 PolarHBondContact O-N 3.37Å; K113-G116 PolarHBondContact O-N 3.22Å; G116-S118 VanDerWaalsContact C-N 3.29Å; G116-S118 PolarHBondContact O-N 3.29Å; G116-N121 VanDerWaalsContact O-CB 3.28Å; G116-N121 WeakPolarHBondContact O-CB 3.37Å; G116-N121 PolarHBondContact O-ND2 2.92Å
117	C	95.5	Very high	96.7	Very high	4 Å²	4	49.5 Å²	49.5	3%	0.027	27%	0.27	C	S	.	.			trans	-80.9	70.2	-174.4	-164.3	0	0	0	0	112.6	Q89 L112 K113	Q89-C117 HydrophobicContact CG-CB 4.2Å; Q89-C117 WeakPolarHBondContact CG-O 3.31Å; Q89-C117 PolarHBondContact NE2-O 3.4Å; L112-C117 HydrophobicContact CB-CB 4.23Å; L112-C117 PolarHBondContact O-N 3.36Å; K113-C117 HydrophobicContact CB-CB 4.46Å; K113-C117 HydrophobicContact CG-CB 3.93Å
118	S	96.3	Very high	96.8	Very high	30 Å²	30	53.2 Å²	53.2	21%	0.21	28%	0.28	C	S	.	.			trans	-112.4	164.1	170.7	89.7	0	0	0	0	111.6	G116 E120 N121 V122	G116-S118 VanDerWaalsContact C-N 3.29Å; G116-S118 PolarHBondContact O-N 3.29Å; S118-E120 VanDerWaalsContact C-N 3.33Å; S118-E120 WeakPolarHBondContact CB-OE2 3.21Å; S118-E120 PolarHBondContact O-N 3.24Å; S118-E120 PolarHBondContact OG-N 2.89Å; S118-E120 PolarHBondContact OG-OE2 3.27Å; S118-N121 PolarHBondContact O-N 2.9Å; S118-N121 PolarHBondContact OG-N 3.47Å; S118-V122 VanDerWaalsContact O-CG2 3.32Å; S118-V122 WeakPolarHBondContact O-CG2 3.2Å; S118-V122 PolarHBondContact O-N 3.47Å
119	L	97.2	Very high	96.8	Very high	5 Å²	5	57.8 Å²	57.8	3%	0.026	30%	0.301	C	S	.	.	H	α-helix	trans	-61.5	-43.2	178.7	176.8	147.6	0	0	0	111.5	Y88 V122 L123 L154 L155	Y88-L119 HydrophobicContact CD1-CB 4.39Å; Y88-L119 HydrophobicContact CD2-CB 4.44Å; Y88-L119 HydrophobicContact CD2-CD1 4.45Å; Y88-L119 HydrophobicContact CE1-CB 4.3Å; Y88-L119 HydrophobicContact CE2-CB 4.36Å; Y88-L119 HydrophobicContact CE2-CD1 4.46Å; Y88-L119 HydrophobicContact CG-CB 4.45Å; L119-V122 PolarHBondContact O-N 2.8Å; L119-L123 HydrophobicContact CD2-CD1 3.68Å; L119-L123 HydrophobicContact CG-CD1 4.38Å; L119-L123 WeakPolarHBondContact O-CG 3.37Å; L119-L123 PolarHBondContact O-N 2.97Å; L119-L154 HydrophobicContact CD1-CB 3.72Å; L119-L154 HydrophobicContact CD1-CD1 4.34Å; L119-L155 HydrophobicContact CD2-CB 4.1Å; L119-L155 HydrophobicContact CD2-CD1 3.99Å; L119-L155 HydrophobicContact CD2-CG 4.42Å
120	E	96.4	Very high	96.8	Very high	114 Å²	114	57.8 Å²	57.8	53%	0.533	30%	0.301	S	S	.	.	H	α-helix	trans	-64.9	-45.6	-178.6	-57.2	71	-153.5	0	0	110.4	S118 V122 L123 A124	S118-E120 VanDerWaalsContact C-N 3.33Å; S118-E120 WeakPolarHBondContact CB-OE2 3.21Å; S118-E120 PolarHBondContact O-N 3.24Å; S118-E120 PolarHBondContact OG-N 2.89Å; S118-E120 PolarHBondContact OG-OE2 3.27Å; E120-V122 PolarHBondContact O-N 3.45Å; E120-L123 PolarHBondContact O-N 3.33Å; E120-A124 WeakPolarHBondContact O-CB 3.31Å; E120-A124 PolarHBondContact O-N 3.27Å
121	N	96.8	Very high	96.9	Very high	48 Å²	48	53 Å²	53	26%	0.257	28%	0.279	S	S	.	.	H	α-helix	trans	-66.9	-39.5	-179.9	-167.3	43.9	0	0	0	111.7	H115 G116 S118 L123 A124 M125	H115-N121 PolarHBondContact CD2-ND2 2.96Å; H115-N121 PolarHBondContact O-ND2 3.25Å; G116-N121 VanDerWaalsContact O-CB 3.28Å; G116-N121 WeakPolarHBondContact O-CB 3.37Å; G116-N121 PolarHBondContact O-ND2 2.92Å; S118-N121 PolarHBondContact O-N 2.9Å; S118-N121 PolarHBondContact OG-N 3.47Å; N121-L123 VanDerWaalsContact C-N 3.31Å; N121-L123 PolarHBondContact O-N 2.82Å; N121-A124 PolarHBondContact O-N 3.48Å; N121-M125 WeakPolarHBondContact O-CG 3.44Å; N121-M125 PolarHBondContact O-N 3.31Å; N121-M125 VanDerWaalsContact O-N 3.08Å
122	V	97.8	Very high	96.9	Very high	1 Å²	1	56 Å²	56	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-64.7	-36.1	175.1	172	0	0	0	0	112.1	Y88 L92 S118 L119 E120 M125 L130 I147	Y88-V122 HydrophobicContact CE1-CG2 4.14Å; Y88-V122 VanDerWaalsContact OH-CB 3.24Å; Y88-V122 WeakPolarHBondContact OH-CB 3.24Å; Y88-V122 VanDerWaalsContact OH-CG1 3.24Å; Y88-V122 WeakPolarHBondContact OH-CG1 3.27Å; Y88-V122 WeakPolarHBondContact OH-CG2 3.21Å; L92-V122 HydrophobicContact CD1-CG2 4.39Å; S118-V122 VanDerWaalsContact O-CG2 3.32Å; S118-V122 WeakPolarHBondContact O-CG2 3.2Å; S118-V122 PolarHBondContact O-N 3.47Å; L119-V122 PolarHBondContact O-N 2.8Å; E120-V122 PolarHBondContact O-N 3.45Å; V122-M125 HydrophobicContact CB-CE 4.27Å; V122-M125 HydrophobicContact CG2-CE 3.85Å; V122-L130 HydrophobicContact CG1-CD2 4.23Å; V122-I147 HydrophobicContact CG1-CG2 3.68Å
123	L	97.6	Very high	96.9	Very high	49 Å²	49	57.3 Å²	57.3	26%	0.257	30%	0.301	S	S	.	.	H	α-helix	trans	-67.7	-38.6	174.3	-77.9	174.8	0	0	0	112.5	L119 E120 N121 K148 L155	L119-L123 HydrophobicContact CD2-CD1 3.68Å; L119-L123 HydrophobicContact CG-CD1 4.38Å; L119-L123 WeakPolarHBondContact O-CG 3.37Å; L119-L123 PolarHBondContact O-N 2.97Å; E120-L123 PolarHBondContact O-N 3.33Å; N121-L123 VanDerWaalsContact C-N 3.31Å; N121-L123 PolarHBondContact O-N 2.82Å; L123-K148 PolarHBondContact O-NZ 3.18Å; L123-L155 HydrophobicContact CD1-CB 4.27Å; L123-L155 HydrophobicContact CD1-CD2 3.7Å
124	A	97.7	Very high	97	Very high	80 Å²	80	55.1 Å²	55.1	66%	0.661	29%	0.291	S	S	*	.	H	α-helix	trans	-67.6	-33.3	178.7	0	0	0	0	0	113.4	E120 N121	E120-A124 WeakPolarHBondContact O-CB 3.31Å; E120-A124 PolarHBondContact O-N 3.27Å; N121-A124 PolarHBondContact O-N 3.48Å
125	M	97.4	Very high	97.1	Very high	8 Å²	8	55 Å²	55	4%	0.039	29%	0.286	C	S	.	.	S	Bend	trans	-67.4	143	177.6	-74.8	-171.5	-75.8	0	0	113	H115 N121 V122 Q129 L130 L133 K148	H115-M125 VanDerWaalsContact CD2-SD 3.52Å; N121-M125 WeakPolarHBondContact O-CG 3.44Å; N121-M125 PolarHBondContact O-N 3.31Å; N121-M125 VanDerWaalsContact O-N 3.08Å; V122-M125 HydrophobicContact CB-CE 4.27Å; V122-M125 HydrophobicContact CG2-CE 3.85Å; M125-Q129 HydrophobicContact CB-CB 4.35Å; M125-L130 HydrophobicContact CE-CD1 3.96Å; M125-L133 HydrophobicContact CE-CD1 4.16Å; M125-L133 HydrophobicContact SD-CD1 3.5Å; M125-L133 WeakPolarHBondContact SD-CD1 3.23Å; M125-K148 VanDerWaalsContact O-CE 3.27Å; M125-K148 WeakPolarHBondContact O-CE 3.45Å; M125-K148 PolarHBondContact O-NZ 3.21Å
126	T	97.2	Very high	97.2	Very high	73 Å²	73	53.8 Å²	53.8	45%	0.448	29%	0.286	S	S	.	.			trans	-65.8	158.8	165.8	61.7	0	0	0	0	111.8	E128 Q129 L130	T126-E128 PolarHBondContact O-N 3.27Å; T126-Q129 PolarHBondContact O-N 3.4Å; T126-Q129 WeakPolarHBondContact OG1-CB 3.3Å; T126-Q129 VanDerWaalsContact OG1-CG 3.25Å; T126-Q129 WeakPolarHBondContact OG1-CG 3.42Å; T126-Q129 PolarHBondContact OG1-N 2.73Å; T126-Q129 PolarHBondContact OG1-OE1 2.84Å; T126-L130 PolarHBondContact O-N 3.33Å
127	E	97.2	Very high	97.3	Very high	91 Å²	91	52.1 Å²	52.1	43%	0.425	27%	0.269	S	S	.	.	H	α-helix	trans	-58.2	-33.2	174.4	-67.4	-174.8	178.2	0	0	112.3	G131 K145 K148	E127-G131 PolarHBondContact O-N 3.48Å; E127-K145 WeakPolarHBondContact OE2-CE 3.14Å; E127-K145 VanDerWaalsContact OE2-CG 3.23Å; E127-K145 WeakPolarHBondContact OE2-CG 3.47Å; E127-K148 HydrophobicContact CG-CD 3.82Å; E127-K148 HydrophobicContact CG-CG 4.44Å
128	E	97.2	Very high	97.3	Very high	120 Å²	120	54.3 Å²	54.3	56%	0.561	28%	0.284	S	S	*	.	H	α-helix	trans	-70.4	-45.5	178.5	-165.7	-169.8	146.4	0	0	111.9	T126 G131 K132	T126-E128 PolarHBondContact O-N 3.27Å; E128-G131 PolarHBondContact O-N 3.49Å; E128-K132 WeakPolarHBondContact O-CG 3.44Å; E128-K132 PolarHBondContact O-N 3.01Å; E128-K132 WeakPolarHBondContact OE1-CE 3.49Å; E128-K132 IonicContact OE1-NZ 3.9Å; E128-K132 PolarHBondContact OE1-NZ 3.04Å
129	Q	97.6	Very high	97.3	Very high	95 Å²	95	59 Å²	59	44%	0.444	30%	0.301	S	S	.	.	H	α-helix	trans	-60.3	-48.9	175.1	-75.6	165.3	-49.4	0	0	111.2	M125 T126 G131 K132 L133	M125-Q129 HydrophobicContact CB-CB 4.35Å; T126-Q129 PolarHBondContact O-N 3.4Å; T126-Q129 WeakPolarHBondContact OG1-CB 3.3Å; T126-Q129 VanDerWaalsContact OG1-CG 3.25Å; T126-Q129 WeakPolarHBondContact OG1-CG 3.42Å; T126-Q129 PolarHBondContact OG1-N 2.73Å; T126-Q129 PolarHBondContact OG1-OE1 2.84Å; Q129-G131 VanDerWaalsContact C-N 3.27Å; Q129-G131 PolarHBondContact O-N 3.34Å; Q129-K132 PolarHBondContact O-N 3.46Å; Q129-L133 PolarHBondContact O-N 3.16Å
130	L	98.3	Very high	97.3	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-58.6	-43.2	175.7	177.8	60.1	0	0	0	110.9	L112 V122 M125 T126 K132 L133 I134 A144 I147 K148	L112-L130 HydrophobicContact CD2-CD1 3.62Å; V122-L130 HydrophobicContact CG1-CD2 4.23Å; M125-L130 HydrophobicContact CE-CD1 3.96Å; T126-L130 PolarHBondContact O-N 3.33Å; L130-K132 PolarHBondContact O-N 3.49Å; L130-L133 PolarHBondContact O-N 3.18Å; L130-I134 HydrophobicContact CD1-CG2 4.29Å; L130-I134 WeakPolarHBondContact O-CG1 3.46Å; L130-I134 PolarHBondContact O-N 2.94Å; L130-I134 VanDerWaalsContact O-N 3.11Å; L130-A144 HydrophobicContact CD2-CB 4.09Å; L130-A144 HydrophobicContact CG-CB 4.19Å; L130-I147 HydrophobicContact CD2-CB 4.14Å; L130-I147 HydrophobicContact CD2-CG2 3.82Å; L130-K148 HydrophobicContact CD2-CG 3.8Å
131	G	97.9	Very high	97.4	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-57.8	-43.1	176.9	0	0	0	0	0	113.8	E127 E128 Q129 L133 I134 Y135 W140	E127-G131 PolarHBondContact O-N 3.48Å; E128-G131 PolarHBondContact O-N 3.49Å; Q129-G131 VanDerWaalsContact C-N 3.27Å; Q129-G131 PolarHBondContact O-N 3.34Å; G131-L133 VanDerWaalsContact C-N 3.32Å; G131-L133 PolarHBondContact O-N 3.44Å; G131-I134 PolarHBondContact O-N 3.21Å; G131-Y135 PolarHBondContact O-N 3.07Å; G131-W140 VanDerWaalsContact CA-CE3 3.4Å
132	K	97.8	Very high	97.4	Very high	136 Å²	136	65.5 Å²	65.5	59%	0.591	33%	0.332	S	S	*	.	H	α-helix	trans	-61.2	-39.4	175.3	-72.7	170.8	-175.8	166.4	0	111.7	E128 Q129 L130	E128-K132 WeakPolarHBondContact O-CG 3.44Å; E128-K132 PolarHBondContact O-N 3.01Å; E128-K132 WeakPolarHBondContact OE1-CE 3.49Å; E128-K132 IonicContact OE1-NZ 3.9Å; E128-K132 PolarHBondContact OE1-NZ 3.04Å; Q129-K132 PolarHBondContact O-N 3.46Å; L130-K132 PolarHBondContact O-N 3.49Å
133	L	97.9	Very high	97.4	Very high	30 Å²	30	66.2 Å²	66.2	16%	0.157	34%	0.335	C	S	.	.	H	α-helix	trans	-67.9	-38.2	178.2	-66.2	174.1	0	0	0	112.4	R111 L112 H115 M125 Q129 L130 G131	R111-L133 HydrophobicContact CB-CD2 4.38Å; R111-L133 PolarHBondContact NE-O 3.17Å; R111-L133 PolarHBondContact NH2-O 2.98Å; R111-L133 VanDerWaalsContact NH2-O 3.08Å; L112-L133 HydrophobicContact CD2-CB 3.97Å; L112-L133 HydrophobicContact CD2-CD1 3.95Å; L112-L133 HydrophobicContact CG-CB 4.47Å; H115-L133 HydrophobicContact CB-CD1 3.91Å; H115-L133 HydrophobicContact CB-CD2 4.37Å; M125-L133 HydrophobicContact CE-CD1 4.16Å; M125-L133 HydrophobicContact SD-CD1 3.5Å; M125-L133 WeakPolarHBondContact SD-CD1 3.23Å; Q129-L133 PolarHBondContact O-N 3.16Å; L130-L133 PolarHBondContact O-N 3.18Å; G131-L133 VanDerWaalsContact C-N 3.32Å; G131-L133 PolarHBondContact O-N 3.44Å
134	I	98.2	Very high	97.4	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-90.7	-12.6	-176.3	68.5	171.8	0	0	0	114	L96 A108 L112 L130 G131 V137 W140 K143 A144	L96-I134 HydrophobicContact CD1-CG2 4.21Å; L96-I134 HydrophobicContact CD2-CB 4.06Å; L96-I134 HydrophobicContact CD2-CD1 3.95Å; L96-I134 HydrophobicContact CD2-CG2 4.01Å; A108-I134 HydrophobicContact CB-CB 4.46Å; L112-I134 HydrophobicContact CD1-CG2 3.78Å; L112-I134 HydrophobicContact CD2-CG2 4.12Å; L112-I134 HydrophobicContact CG-CG2 4.06Å; L130-I134 HydrophobicContact CD1-CG2 4.29Å; L130-I134 WeakPolarHBondContact O-CG1 3.46Å; L130-I134 PolarHBondContact O-N 2.94Å; L130-I134 VanDerWaalsContact O-N 3.11Å; G131-I134 PolarHBondContact O-N 3.21Å; I134-V137 WeakPolarHBondContact O-CB 3.5Å; I134-V137 WeakPolarHBondContact O-CG2 3.32Å; I134-V137 PolarHBondContact O-N 3.38Å; I134-W140 HydrophobicContact CD1-CB 4.01Å; I134-W140 WeakPolarHBondContact CD1-O 3.34Å; I134-W140 HydrophobicContact CG1-CB 3.94Å; I134-K143 HydrophobicContact CD1-CB 4.25Å; I134-A144 HydrophobicContact CD1-CB 4.11Å
135	Y	97.3	Very high	97.4	Very high	140 Å²	140	65.9 Å²	65.9	55%	0.549	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	136.2	172.6	-178.6	-93.6	0	0	0	111.2	R111 G131 W140	R111-Y135 PolarHBondContact NH2-O 3.44Å; G131-Y135 PolarHBondContact O-N 3.07Å; Y135-W140 AromaticContact CD2-CD1 3.72Å; Y135-W140 HydrophobicContact CD2-CG 4.34Å; Y135-W140 AromaticContact CD2-NE1 3.51Å; Y135-W140 AromaticContact CE2-NE1 4Å
136	P	97.1	Very high	97.4	Very high	70 Å²	70	66.4 Å²	66.4	46%	0.455	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	cis	-100.9	37.6	10.6	40.1	-36.8	0	0	0	114.5	V104 S138	V104-P136 HydrophobicContact CG1-CG 4.18Å; P136-S138 PolarHBondContact O-N 2.84Å
137	V	97.6	Very high	97.5	Very high	1 Å²	1	63 Å²	63	1%	0.006	30%	0.301	C	S	.	.	S	Bend	trans	-52.4	136.9	172.7	168.2	0	0	0	0	110.2	L96 T100 V104 A108 I134 F139 W140 K143	L96-V137 HydrophobicContact CD2-CG1 4.1Å; L96-V137 HydrophobicContact CD2-CG2 4.44Å; T100-V137 HydrophobicContact CG2-CB 4.38Å; T100-V137 HydrophobicContact CG2-CG1 4.12Å; T100-V137 HydrophobicContact CG2-CG2 4.2Å; V104-V137 HydrophobicContact CG1-CG2 4.16Å; A108-V137 HydrophobicContact CB-CG2 3.59Å; I134-V137 WeakPolarHBondContact O-CB 3.5Å; I134-V137 WeakPolarHBondContact O-CG2 3.32Å; I134-V137 PolarHBondContact O-N 3.38Å; V137-F139 PolarHBondContact O-N 3.02Å; V137-W140 VanDerWaalsContact O-CB 3.32Å; V137-W140 WeakPolarHBondContact O-CB 3.36Å; V137-W140 PolarHBondContact O-N 3.03Å; V137-W140 VanDerWaalsContact O-N 3.15Å; V137-K143 HydrophobicContact CG1-CD 3.57Å; V137-K143 VanDerWaalsContact CG1-NZ 3.26Å
138	S	95.7	Very high	97.5	Very high	50 Å²	50	60.9 Å²	60.9	35%	0.35	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	135.2	-179.6	-53.8	0	0	0	0	110.4	Q99 T100 P136 W140 K143	Q99-S138 VanDerWaalsContact O-CB 3.27Å; Q99-S138 WeakPolarHBondContact O-CB 3.5Å; Q99-S138 PolarHBondContact O-OG 3.03Å; Q99-S138 VanDerWaalsContact O-OG 3.12Å; T100-S138 WeakPolarHBondContact OG1-CB 3.41Å; T100-S138 PolarHBondContact OG1-N 3.09Å; P136-S138 PolarHBondContact O-N 2.84Å; S138-W140 VanDerWaalsContact C-N 3.26Å; S138-W140 PolarHBondContact O-N 3.44Å; S138-K143 VanDerWaalsContact O-CD 3.3Å; S138-K143 WeakPolarHBondContact O-CD 3.36Å; S138-K143 WeakPolarHBondContact O-CE 3.5Å; S138-K143 PolarHBondContact O-NZ 3.18Å
139	F	96.4	Very high	97.6	Very high	127 Å²	127	61.8 Å²	61.8	56%	0.557	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	32.7	-175.9	-46.7	-77.4	0	0	0	114.1	Q99 V137 K141 T142 K143	Q99-F139 HydrophobicContact CB-CE2 4.37Å; V137-F139 PolarHBondContact O-N 3.02Å; F139-K141 VanDerWaalsContact C-N 3.26Å; F139-K141 PolarHBondContact O-N 3.02Å; F139-K141 VanDerWaalsContact O-N 3.15Å; F139-T142 PolarHBondContact O-N 3.35Å; F139-T142 VanDerWaalsContact O-N 3.08Å; F139-K143 PolarHBondContact O-N 3.45Å
140	W	97.3	Very high	97.6	Very high	70 Å²	70	57.2 Å²	57.2	27%	0.265	27%	0.271	S	S	.	.	H	α-helix	trans	-51.6	-38.7	-176.7	65.5	-90.5	0	0	0	114.2	G131 I134 Y135 V137 S138 T142 K143 A144	G131-W140 VanDerWaalsContact CA-CE3 3.4Å; I134-W140 HydrophobicContact CD1-CB 4.01Å; I134-W140 WeakPolarHBondContact CD1-O 3.34Å; I134-W140 HydrophobicContact CG1-CB 3.94Å; Y135-W140 AromaticContact CD2-CD1 3.72Å; Y135-W140 HydrophobicContact CD2-CG 4.34Å; Y135-W140 AromaticContact CD2-NE1 3.51Å; Y135-W140 AromaticContact CE2-NE1 4Å; V137-W140 VanDerWaalsContact O-CB 3.32Å; V137-W140 WeakPolarHBondContact O-CB 3.36Å; V137-W140 PolarHBondContact O-N 3.03Å; V137-W140 VanDerWaalsContact O-N 3.15Å; S138-W140 VanDerWaalsContact C-N 3.26Å; S138-W140 PolarHBondContact O-N 3.44Å; W140-T142 PolarHBondContact O-N 3.37Å; W140-K143 PolarHBondContact O-N 3.36Å; W140-A144 WeakPolarHBondContact O-CB 3.31Å; W140-A144 PolarHBondContact O-N 2.72Å
141	K	97.4	Very high	97.6	Very high	136 Å²	136	57.2 Å²	57.2	59%	0.591	27%	0.271	S	S	*	.	H	α-helix	trans	-60	-47.8	178.1	-66.2	-174.9	179.6	-177.1	0	111.9	F139 K145	F139-K141 VanDerWaalsContact C-N 3.26Å; F139-K141 PolarHBondContact O-N 3.02Å; F139-K141 VanDerWaalsContact O-N 3.15Å; K141-K145 PolarHBondContact O-N 3.27Å
142	T	97.2	Very high	97.6	Very high	98 Å²	98	58.4 Å²	58.4	60%	0.601	28%	0.284	S	S	*	.	H	α-helix	trans	-68.1	-39.1	177.7	-51.9	0	0	0	0	111.2	F139 W140 K145 A146	F139-T142 PolarHBondContact O-N 3.35Å; F139-T142 VanDerWaalsContact O-N 3.08Å; W140-T142 PolarHBondContact O-N 3.37Å; T142-K145 PolarHBondContact O-N 3.07Å; T142-A146 WeakPolarHBondContact O-CB 3.47Å; T142-A146 PolarHBondContact O-N 2.91Å
143	K	97.7	Very high	97.6	Very high	17 Å²	17	53.6 Å²	53.6	7%	0.074	26%	0.264	C	S	.	.	H	α-helix	trans	-66.4	-40.7	177.3	-73.7	176.1	174.9	172.3	0	112.4	L96 S98 T100 I134 V137 S138 F139 W140 K145 A146 I147	L96-K143 HydrophobicContact CD2-CD 4.36Å; L96-K143 PolarHBondContact O-NZ 3.46Å; S98-K143 PolarHBondContact O-NZ 2.97Å; S98-K143 WeakPolarHBondContact OG-CE 3.28Å; T100-K143 PolarHBondContact OG1-NZ 3.29Å; I134-K143 HydrophobicContact CD1-CB 4.25Å; V137-K143 HydrophobicContact CG1-CD 3.57Å; V137-K143 VanDerWaalsContact CG1-NZ 3.26Å; S138-K143 VanDerWaalsContact O-CD 3.3Å; S138-K143 WeakPolarHBondContact O-CD 3.36Å; S138-K143 WeakPolarHBondContact O-CE 3.5Å; S138-K143 PolarHBondContact O-NZ 3.18Å; F139-K143 PolarHBondContact O-N 3.45Å; W140-K143 PolarHBondContact O-N 3.36Å; K143-K145 PolarHBondContact O-N 3.49Å; K143-A146 PolarHBondContact O-N 2.9Å; K143-I147 WeakPolarHBondContact O-CB 3.06Å; K143-I147 WeakPolarHBondContact O-CG1 3.49Å; K143-I147 PolarHBondContact O-N 2.69Å
144	A	97.8	Very high	97.7	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.008	26%	0.256	C	S	.	.	H	α-helix	trans	-58.6	-47.3	175.8	0	0	0	0	0	111.1	L130 I134 W140 A146 I147 K148	L130-A144 HydrophobicContact CD2-CB 4.09Å; L130-A144 HydrophobicContact CG-CB 4.19Å; I134-A144 HydrophobicContact CD1-CB 4.11Å; W140-A144 WeakPolarHBondContact O-CB 3.31Å; W140-A144 PolarHBondContact O-N 2.72Å; A144-A146 PolarHBondContact O-N 2.84Å; A144-I147 PolarHBondContact O-N 2.7Å; A144-K148 PolarHBondContact O-N 2.84Å
145	K	97.8	Very high	97.7	Very high	120 Å²	120	56.8 Å²	56.8	52%	0.522	28%	0.28	S	S	.	.	H	α-helix	trans	-56.6	-49	173.3	-71.7	178.4	176.5	-169.3	0	112.4	E127 K141 T142 K143 I147 K148 K149	E127-K145 WeakPolarHBondContact OE2-CE 3.14Å; E127-K145 VanDerWaalsContact OE2-CG 3.23Å; E127-K145 WeakPolarHBondContact OE2-CG 3.47Å; K141-K145 PolarHBondContact O-N 3.27Å; T142-K145 PolarHBondContact O-N 3.07Å; K143-K145 PolarHBondContact O-N 3.49Å; K145-I147 PolarHBondContact O-N 3.32Å; K145-K148 PolarHBondContact O-N 3.34Å; K145-K149 WeakPolarHBondContact O-CB 3.39Å; K145-K149 PolarHBondContact O-N 3.07Å
146	A	97.8	Very high	97.7	Very high	19 Å²	19	57.4 Å²	57.4	16%	0.157	29%	0.288	C	S	.	.	H	α-helix	trans	-63.2	-41.2	179.8	0	0	0	0	0	112.3	M95 T142 K143 A144 T150 P173	M95-A146 HydrophobicContact CE-CB 4.05Å; T142-A146 WeakPolarHBondContact O-CB 3.47Å; T142-A146 PolarHBondContact O-N 2.91Å; K143-A146 PolarHBondContact O-N 2.9Å; A144-A146 PolarHBondContact O-N 2.84Å; A146-T150 WeakPolarHBondContact O-CB 3.42Å; A146-T150 PolarHBondContact O-N 3.39Å; A146-T150 PolarHBondContact O-OG1 2.99Å; A146-P173 HydrophobicContact CB-CB 4.33Å
147	I	98.3	Very high	97.7	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-63.6	-49.1	177.4	-72.8	168.9	0	0	0	110.7	L92 M95 L96 V122 L130 K143 A144 K145 K149 T150 S151	L92-I147 HydrophobicContact CD2-CB 4.3Å; L92-I147 HydrophobicContact CD2-CD1 4.33Å; L92-I147 HydrophobicContact CD2-CG1 3.97Å; L92-I147 HydrophobicContact CD2-CG2 3.54Å; M95-I147 HydrophobicContact CE-CG1 3.86Å; M95-I147 HydrophobicContact SD-CG1 4.24Å; L96-I147 HydrophobicContact CD2-CD1 3.76Å; L96-I147 HydrophobicContact CG-CD1 4.26Å; V122-I147 HydrophobicContact CG1-CG2 3.68Å; L130-I147 HydrophobicContact CD2-CB 4.14Å; L130-I147 HydrophobicContact CD2-CG2 3.82Å; K143-I147 WeakPolarHBondContact O-CB 3.06Å; K143-I147 WeakPolarHBondContact O-CG1 3.49Å; K143-I147 PolarHBondContact O-N 2.69Å; A144-I147 PolarHBondContact O-N 2.7Å; K145-I147 PolarHBondContact O-N 3.32Å; I147-K149 PolarHBondContact O-N 2.92Å; I147-T150 PolarHBondContact O-N 2.96Å; I147-S151 WeakPolarHBondContact O-CB 3.36Å; I147-S151 PolarHBondContact O-N 2.8Å; I147-S151 PolarHBondContact O-OG 3.47Å
148	K	97.8	Very high	97.7	Very high	47 Å²	47	63.6 Å²	63.6	20%	0.204	31%	0.307	C	S	.	.	H	α-helix	trans	-59.3	-48.5	177.4	-72.9	-145	71.6	175.3	0	111.6	L123 M125 E127 L130 A144 K145 T150 S151 G152	L123-K148 PolarHBondContact O-NZ 3.18Å; M125-K148 VanDerWaalsContact O-CE 3.27Å; M125-K148 WeakPolarHBondContact O-CE 3.45Å; M125-K148 PolarHBondContact O-NZ 3.21Å; E127-K148 HydrophobicContact CG-CD 3.82Å; E127-K148 HydrophobicContact CG-CG 4.44Å; L130-K148 HydrophobicContact CD2-CG 3.8Å; A144-K148 PolarHBondContact O-N 2.84Å; K145-K148 PolarHBondContact O-N 3.34Å; K148-T150 PolarHBondContact O-N 2.92Å; K148-S151 PolarHBondContact O-N 3.43Å; K148-G152 PolarHBondContact O-N 2.79Å
149	K	98.2	Very high	97.8	Very high	139 Å²	139	67.2 Å²	67.2	60%	0.604	32%	0.322	S	S	*	.	H	α-helix	trans	-62.1	-42.8	178.6	-170.8	176.9	176.9	176.2	0	111.9	K145 I147 G152 I153 P173	K145-K149 WeakPolarHBondContact O-CB 3.39Å; K145-K149 PolarHBondContact O-N 3.07Å; I147-K149 PolarHBondContact O-N 2.92Å; K149-G152 PolarHBondContact O-N 3.29Å; K149-I153 HydrophobicContact CG-CD1 4.26Å; K149-I153 WeakPolarHBondContact O-CG1 3.43Å; K149-I153 PolarHBondContact O-N 2.99Å; K149-I153 VanDerWaalsContact O-N 3.09Å; K149-P173 HydrophobicContact CB-CG 4.13Å; K149-P173 HydrophobicContact CD-CB 4.36Å; K149-P173 HydrophobicContact CD-CG 3.67Å; K149-P173 HydrophobicContact CG-CG 3.79Å
150	T	98.4	Very high	97.8	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.2	-49.5	175.2	-63.7	0	0	0	0	110.4	L91 M95 A146 I147 K148 G152 I153 L154 L172 P173	L91-T150 HydrophobicContact CD2-CG2 4.03Å; M95-T150 HydrophobicContact SD-CG2 4.27Å; A146-T150 WeakPolarHBondContact O-CB 3.42Å; A146-T150 PolarHBondContact O-N 3.39Å; A146-T150 PolarHBondContact O-OG1 2.99Å; I147-T150 PolarHBondContact O-N 2.96Å; K148-T150 PolarHBondContact O-N 2.92Å; T150-G152 VanDerWaalsContact C-N 3.27Å; T150-G152 PolarHBondContact O-N 2.7Å; T150-I153 WeakPolarHBondContact O-CB 3.35Å; T150-I153 PolarHBondContact O-N 3.46Å; T150-L154 HydrophobicContact CG2-CD1 4.35Å; T150-L154 HydrophobicContact CG2-CG 4.28Å; T150-L154 WeakPolarHBondContact O-CG 3.46Å; T150-L154 PolarHBondContact O-N 3.19Å; T150-L172 HydrophobicContact CG2-CB 4.15Å; T150-L172 HydrophobicContact CG2-CD1 3.98Å; T150-L172 HydrophobicContact CG2-CD2 4.28Å; T150-L172 HydrophobicContact CG2-CG 4.36Å; T150-P173 WeakPolarHBondContact OG1-CD 3.49Å; T150-P173 PolarHBondContact OG1-O 3.09Å
151	S	98.1	Very high	97.8	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-58.9	-38.7	-179.6	-50.9	0	0	0	0	112.1	Y88 I147 K148 L154 L155	Y88-S151 PolarHBondContact OH-OG 2.68Å; I147-S151 WeakPolarHBondContact O-CB 3.36Å; I147-S151 PolarHBondContact O-N 2.8Å; I147-S151 PolarHBondContact O-OG 3.47Å; K148-S151 PolarHBondContact O-N 3.43Å; S151-L154 PolarHBondContact O-N 2.85Å; S151-L155 PolarHBondContact O-N 3.32Å; S151-L155 VanDerWaalsContact O-N 3.08Å
152	G	98.3	Very high	97.9	Very high	25 Å²	25	53 Å²	53	26%	0.258	27%	0.267	S	S	.	.	H	α-helix	trans	-64.4	-43.5	174.7	0	0	0	0	0	112.6	K148 K149 T150 L154 L155 E156	K148-G152 PolarHBondContact O-N 2.79Å; K149-G152 PolarHBondContact O-N 3.29Å; T150-G152 VanDerWaalsContact C-N 3.27Å; T150-G152 PolarHBondContact O-N 2.7Å; G152-L154 VanDerWaalsContact C-N 3.33Å; G152-L154 PolarHBondContact O-N 3.2Å; G152-L155 PolarHBondContact O-N 3.48Å; G152-E156 WeakPolarHBondContact O-CB 3.32Å; G152-E156 PolarHBondContact O-N 3.23Å
153	I	98.5	Very high	97.9	Very high	35 Å²	35	48.5 Å²	48.5	18%	0.179	24%	0.239	C	C	.	.	H	α-helix	trans	-62.2	-40.6	175.6	-67.6	163.6	0	0	0	111.3	K149 T150 E156 K157 Y158 L172 P173	K149-I153 HydrophobicContact CG-CD1 4.26Å; K149-I153 WeakPolarHBondContact O-CG1 3.43Å; K149-I153 PolarHBondContact O-N 2.99Å; K149-I153 VanDerWaalsContact O-N 3.09Å; T150-I153 WeakPolarHBondContact O-CB 3.35Å; T150-I153 PolarHBondContact O-N 3.46Å; I153-E156 PolarHBondContact O-N 3.45Å; I153-K157 HydrophobicContact CG2-CD 4.39Å; I153-K157 WeakPolarHBondContact O-CB 3.43Å; I153-K157 PolarHBondContact O-N 3.34Å; I153-Y158 HydrophobicContact CG2-CD2 4.26Å; I153-Y158 HydrophobicContact CG2-CE2 3.95Å; I153-L172 HydrophobicContact CB-CD2 4.38Å; I153-L172 HydrophobicContact CG2-CD2 3.78Å; I153-P173 HydrophobicContact CD1-CG 3.93Å
154	L	98.6	Very high	97.9	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-43.3	178.2	-62.7	-172.5	0	0	0	111.5	Y88 L91 L119 T150 S151 G152 Y158 D159 G160 D161 I162 L172	Y88-L154 HydrophobicContact CD2-CD1 3.83Å; Y88-L154 HydrophobicContact CE2-CD1 4.14Å; L91-L154 HydrophobicContact CD2-CD1 4.09Å; L119-L154 HydrophobicContact CD1-CB 3.72Å; L119-L154 HydrophobicContact CD1-CD1 4.34Å; T150-L154 HydrophobicContact CG2-CD1 4.35Å; T150-L154 HydrophobicContact CG2-CG 4.28Å; T150-L154 WeakPolarHBondContact O-CG 3.46Å; T150-L154 PolarHBondContact O-N 3.19Å; S151-L154 PolarHBondContact O-N 2.85Å; G152-L154 VanDerWaalsContact C-N 3.33Å; G152-L154 PolarHBondContact O-N 3.2Å; L154-Y158 HydrophobicContact CD2-CD2 3.94Å; L154-Y158 HydrophobicContact CD2-CG 4.49Å; L154-Y158 CarbonylContact O-C 3.48Å; L154-Y158 VanDerWaalsContact O-C 3.26Å; L154-Y158 WeakPolarHBondContact O-CA 3.34Å; L154-Y158 PolarHBondContact O-N 2.67Å; L154-D159 PolarHBondContact O-N 3.23Å; L154-G160 PolarHBondContact O-N 3.46Å; L154-D161 WeakPolarHBondContact CD2-O 3.12Å; L154-I162 HydrophobicContact CD1-CG2 4Å; L154-L172 HydrophobicContact CD2-CD1 3.98Å; L154-L172 HydrophobicContact CD2-CD2 3.97Å
155	L	97.7	Very high	97.9	Very high	96 Å²	96	55.6 Å²	55.6	50%	0.503	28%	0.276	S	S	.	.	H	α-helix	trans	-62.1	-47.5	176.6	-170.9	59.3	0	0	0	111.9	L119 L123 S151 G152	L119-L155 HydrophobicContact CD2-CB 4.1Å; L119-L155 HydrophobicContact CD2-CD1 3.99Å; L119-L155 HydrophobicContact CD2-CG 4.42Å; L123-L155 HydrophobicContact CD1-CB 4.27Å; L123-L155 HydrophobicContact CD1-CD2 3.7Å; S151-L155 PolarHBondContact O-N 3.32Å; S151-L155 VanDerWaalsContact O-N 3.08Å; G152-L155 PolarHBondContact O-N 3.48Å
156	E	97.9	Very high	97.9	Very high	153 Å²	153	50.9 Å²	50.9	72%	0.715	26%	0.257	S	S	*	.	H	α-helix	trans	-72.9	-42	-174.2	-172.5	-165.9	151.8	0	0	113	G152 I153	G152-E156 WeakPolarHBondContact O-CB 3.32Å; G152-E156 PolarHBondContact O-N 3.23Å; I153-E156 PolarHBondContact O-N 3.45Å
157	K	97.9	Very high	98	Very high	139 Å²	139	53.8 Å²	53.8	60%	0.604	28%	0.276	S	S	*	.	H	α-helix	trans	-112	-17.2	-166.8	-61.4	-169.3	178.5	-174.1	0	115	I153	I153-K157 HydrophobicContact CG2-CD 4.39Å; I153-K157 WeakPolarHBondContact O-CB 3.43Å; I153-K157 PolarHBondContact O-N 3.34Å
158	Y	97.9	Very high	98	Very high	62 Å²	62	55.7 Å²	55.7	24%	0.243	29%	0.286	C	S	.	.	S	Bend	trans	-130.1	20.7	-171.7	-59.5	-77.4	0	0	0	112.6	I153 L154 G160 D161 P163 D168 L172	I153-Y158 HydrophobicContact CG2-CD2 4.26Å; I153-Y158 HydrophobicContact CG2-CE2 3.95Å; L154-Y158 HydrophobicContact CD2-CD2 3.94Å; L154-Y158 HydrophobicContact CD2-CG 4.49Å; L154-Y158 CarbonylContact O-C 3.48Å; L154-Y158 VanDerWaalsContact O-C 3.26Å; L154-Y158 WeakPolarHBondContact O-CA 3.34Å; L154-Y158 PolarHBondContact O-N 2.67Å; Y158-G160 PolarHBondContact O-N 2.89Å; Y158-G160 VanDerWaalsContact O-N 3.17Å; Y158-D161 WeakPolarHBondContact CB-O 3.23Å; Y158-D161 PolarHBondContact O-N 3.46Å; Y158-P163 HydrophobicContact CD1-CB 4.11Å; Y158-P163 HydrophobicContact CD1-CG 3.94Å; Y158-P163 HydrophobicContact CD2-CG 4.12Å; Y158-P163 HydrophobicContact CE1-CB 3.77Å; Y158-P163 HydrophobicContact CE1-CG 3.68Å; Y158-P163 HydrophobicContact CE2-CG 3.85Å; Y158-P163 HydrophobicContact CG-CG 4.16Å; Y158-D168 HydrophobicContact CE1-CB 4.45Å; Y158-L172 HydrophobicContact CE2-CD2 4.43Å
159	D	96.5	Very high	98	Very high	127 Å²	127	53.4 Å²	53.4	68%	0.679	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	39.9	177.6	-175	50.1	0	0	0	112.7	K84 L154 D161	K84-D159 PolarHBondContact NZ-O 3.38Å; K84-D159 IonicContact NZ-OD2 2.71Å; K84-D159 PolarHBondContact NZ-OD2 2.96Å; L154-D159 PolarHBondContact O-N 3.23Å; D159-D161 PolarHBondContact O-N 2.82Å
160	G	96.9	Very high	98	Very high	11 Å²	11	49.1 Å²	49.1	11%	0.113	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	5.3	-179.1	0	0	0	0	0	115.6	L154 Y158	L154-G160 PolarHBondContact O-N 3.46Å; Y158-G160 PolarHBondContact O-N 2.89Å; Y158-G160 VanDerWaalsContact O-N 3.17Å
161	D	98.2	Very high	98	Very high	20 Å²	20	55.5 Å²	55.5	11%	0.107	29%	0.291	C	S	.	.	S	Bend	trans	-103.2	168.1	174.7	-154.1	-8.7	0	0	0	111.6	K84 R87 L154 Y158 D159	K84-D161 HydrophobicContact CD-CB 4.12Å; K84-D161 HydrophobicContact CG-CB 4.12Å; R87-D161 IonicContact CZ-OD1 3.64Å; R87-D161 IonicContact CZ-OD2 3.27Å; R87-D161 VanDerWaalsContact CZ-OD2 3.27Å; R87-D161 IonicContact NE-OD1 2.81Å; R87-D161 PolarHBondContact NE-OD1 3.37Å; R87-D161 IonicContact NE-OD2 3.16Å; R87-D161 PolarHBondContact NE-OD2 3.34Å; R87-D161 VanDerWaalsContact NE-OD2 3.16Å; R87-D161 IonicContact NH2-OD1 3.61Å; R87-D161 IonicContact NH2-OD2 2.66Å; R87-D161 PolarHBondContact NH2-OD2 2.93Å; L154-D161 WeakPolarHBondContact CD2-O 3.12Å; Y158-D161 WeakPolarHBondContact CB-O 3.23Å; Y158-D161 PolarHBondContact O-N 3.46Å; D159-D161 PolarHBondContact O-N 2.82Å
162	I	98.1	Very high	98	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.021	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-82.9	150.9	174.1	74.2	173.4	0	0	0	110.8	R87 L91 L154 L169 A187 W188	R87-I162 HydrophobicContact CB-CD1 3.84Å; R87-I162 HydrophobicContact CB-CG1 3.95Å; R87-I162 HydrophobicContact CB-CG2 4.45Å; R87-I162 HydrophobicContact CG-CD1 4.39Å; L91-I162 HydrophobicContact CB-CG2 4.03Å; L91-I162 HydrophobicContact CD2-CB 4.35Å; L91-I162 HydrophobicContact CD2-CG2 3.68Å; L91-I162 HydrophobicContact CG-CG2 4.48Å; L154-I162 HydrophobicContact CD1-CG2 4Å; I162-L169 HydrophobicContact CB-CD2 4.49Å; I162-A187 HydrophobicContact CD1-CB 3.76Å; I162-W188 HydrophobicContact CG1-CZ2 4.1Å
163	P	98.1	Very high	97.9	Very high	3 Å²	3	56 Å²	56	2%	0.019	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-61.8	150.2	177.1	-16.2	25.9	0	0	0	113.1	Y158 D168 L169 L172 W188	Y158-P163 HydrophobicContact CD1-CB 4.11Å; Y158-P163 HydrophobicContact CD1-CG 3.94Å; Y158-P163 HydrophobicContact CD2-CG 4.12Å; Y158-P163 HydrophobicContact CE1-CB 3.77Å; Y158-P163 HydrophobicContact CE1-CG 3.68Å; Y158-P163 HydrophobicContact CE2-CG 3.85Å; Y158-P163 HydrophobicContact CG-CG 4.16Å; P163-D168 HydrophobicContact CB-CB 3.5Å; P163-D168 VanDerWaalsContact CB-CB 3.5Å; P163-D168 HydrophobicContact CG-CB 4.1Å; P163-L169 HydrophobicContact CB-CG 4.14Å; P163-L169 HydrophobicContact CG-CD2 4.3Å; P163-L169 HydrophobicContact CG-CG 4.31Å; P163-L172 HydrophobicContact CG-CD1 4.16Å; P163-W188 PolarHBondContact O-NE1 3.44Å
164	Q	97.6	Very high	97.8	Very high	111 Å²	111	57.1 Å²	57.1	52%	0.519	31%	0.31	S	S	.	.	S	Bend	trans	-88.5	-11.5	-179.4	-58.8	-169.2	21.6	0	0	114.3	W188	Q164-W188 HydrophobicContact CG-CD2 4.18Å; Q164-W188 HydrophobicContact CG-CH2 4.06Å; Q164-W188 HydrophobicContact CG-CZ2 3.62Å
165	T	98.1	Very high	97.7	Very high	56 Å²	56	57.5 Å²	57.5	34%	0.344	31%	0.312	S	S	.	.	S	Bend	trans	-112.1	147.4	-176.5	81	0	0	0	0	111.5	S167 D168 L169	T165-S167 VanDerWaalsContact C-N 3.26Å; T165-S167 PolarHBondContact O-N 3.3Å; T165-D168 PolarHBondContact O-N 3.33Å; T165-D168 WeakPolarHBondContact OG1-CB 3.34Å; T165-D168 PolarHBondContact OG1-N 3Å; T165-D168 VanDerWaalsContact OG1-N 3.1Å; T165-D168 PolarHBondContact OG1-OD2 3.28Å; T165-L169 WeakPolarHBondContact O-CG 3.29Å; T165-L169 PolarHBondContact O-N 2.94Å
166	V	98	Very high	97.6	Very high	20 Å²	20	54.3 Å²	54.3	12%	0.121	30%	0.302	C	S	.	.	H	α-helix	trans	-60.1	-39	175.6	175.8	0	0	0	0	111.3	C170 A180 Y181 V184 D192	V166-C170 WeakPolarHBondContact O-CB 3.28Å; V166-C170 PolarHBondContact O-N 3.02Å; V166-C170 PolarHBondContact O-SG 2.7Å; V166-A180 HydrophobicContact CB-CB 4.42Å; V166-A180 HydrophobicContact CG1-CB 3.79Å; V166-Y181 HydrophobicContact CB-CE1 4.29Å; V166-Y181 HydrophobicContact CG1-CD1 4.15Å; V166-Y181 HydrophobicContact CG1-CD2 4.41Å; V166-Y181 HydrophobicContact CG1-CE1 3.82Å; V166-Y181 HydrophobicContact CG1-CE2 4.07Å; V166-Y181 HydrophobicContact CG1-CG 4.42Å; V166-Y181 HydrophobicContact CG2-CD1 3.64Å; V166-Y181 HydrophobicContact CG2-CE1 3.71Å; V166-Y181 HydrophobicContact CG2-CG 4.4Å; V166-V184 HydrophobicContact CG2-CB 4.48Å; V166-V184 HydrophobicContact CG2-CG2 3.91Å; V166-D192 HydrophobicContact CG2-CB 4.11Å
167	S	98	Very high	97.6	Very high	80 Å²	80	49.7 Å²	49.7	56%	0.559	29%	0.286	S	S	*	.	H	α-helix	trans	-62.3	-46.2	179.7	-174.6	0	0	0	0	111.5	T165 C170 K171	T165-S167 VanDerWaalsContact C-N 3.26Å; T165-S167 PolarHBondContact O-N 3.3Å; S167-C170 PolarHBondContact O-N 2.95Å; S167-K171 PolarHBondContact O-N 2.81Å
168	D	98.4	Very high	97.5	Very high	41 Å²	41	45.4 Å²	45.4	22%	0.219	27%	0.267	C	S	.	.	H	α-helix	trans	-72	-38.7	-179.3	-66.2	-39.9	0	0	0	112.5	Y158 P163 T165 C170 K171	Y158-D168 HydrophobicContact CE1-CB 4.45Å; P163-D168 HydrophobicContact CB-CB 3.5Å; P163-D168 VanDerWaalsContact CB-CB 3.5Å; P163-D168 HydrophobicContact CG-CB 4.1Å; T165-D168 PolarHBondContact O-N 3.33Å; T165-D168 WeakPolarHBondContact OG1-CB 3.34Å; T165-D168 PolarHBondContact OG1-N 3Å; T165-D168 VanDerWaalsContact OG1-N 3.1Å; T165-D168 PolarHBondContact OG1-OD2 3.28Å; D168-C170 VanDerWaalsContact C-N 3.28Å; D168-C170 PolarHBondContact O-N 3.39Å; D168-K171 WeakPolarHBondContact O-CB 3.48Å; D168-K171 PolarHBondContact O-N 2.85Å; D168-K171 IonicContact OD1-NZ 2.78Å; D168-K171 PolarHBondContact OD1-NZ 3.16Å
169	L	98.6	Very high	97.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.1	-41	172.4	-79.6	160.2	0	0	0	111.6	L91 I162 P163 T165 K171 L172 V175 A180 A183 V184	L91-L169 HydrophobicContact CD1-CD2 4.31Å; I162-L169 HydrophobicContact CB-CD2 4.49Å; P163-L169 HydrophobicContact CB-CG 4.14Å; P163-L169 HydrophobicContact CG-CD2 4.3Å; P163-L169 HydrophobicContact CG-CG 4.31Å; T165-L169 WeakPolarHBondContact O-CG 3.29Å; T165-L169 PolarHBondContact O-N 2.94Å; L169-K171 PolarHBondContact O-N 2.95Å; L169-L172 HydrophobicContact CD2-CD1 4.06Å; L169-L172 WeakPolarHBondContact O-CB 3.48Å; L169-L172 WeakPolarHBondContact O-CG 3.3Å; L169-L172 PolarHBondContact O-N 3.45Å; L169-L172 VanDerWaalsContact O-N 3.07Å; L169-V175 HydrophobicContact CB-CG1 4.4Å; L169-V175 WeakPolarHBondContact O-CB 3.21Å; L169-V175 VanDerWaalsContact O-CG1 3.23Å; L169-V175 WeakPolarHBondContact O-CG1 3.09Å; L169-A180 HydrophobicContact CB-CB 3.66Å; L169-A180 HydrophobicContact CD1-CB 4.4Å; L169-A183 HydrophobicContact CD1-CB 3.94Å; L169-A183 HydrophobicContact CD2-CB 4.36Å; L169-V184 HydrophobicContact CD1-CG2 3.49Å; L169-V184 VanDerWaalsContact CD1-CG2 3.49Å
170	C	98	Very high	97.5	Very high	48 Å²	48	37 Å²	37	32%	0.324	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-15	176.7	-70	0	0	0	0	114.2	V166 S167 D168 L172 A180	V166-C170 WeakPolarHBondContact O-CB 3.28Å; V166-C170 PolarHBondContact O-N 3.02Å; V166-C170 PolarHBondContact O-SG 2.7Å; S167-C170 PolarHBondContact O-N 2.95Å; D168-C170 VanDerWaalsContact C-N 3.28Å; D168-C170 PolarHBondContact O-N 3.39Å; C170-L172 VanDerWaalsContact C-N 3.29Å; C170-A180 VanDerWaalsContact SG-CB 3.59Å
171	K	98.1	Very high	97.6	Very high	135 Å²	135	37.9 Å²	37.9	59%	0.587	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-15.4	173.8	-62.9	169.7	-169.6	163.6	0	112	S167 D168 L169	S167-K171 PolarHBondContact O-N 2.81Å; D168-K171 WeakPolarHBondContact O-CB 3.48Å; D168-K171 PolarHBondContact O-N 2.85Å; D168-K171 IonicContact OD1-NZ 2.78Å; D168-K171 PolarHBondContact OD1-NZ 3.16Å; L169-K171 PolarHBondContact O-N 2.95Å
172	L	98.4	Very high	97.5	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.026	22%	0.224	C	C	.	.	S	Bend	trans	-73.5	138.2	179.7	-58.7	177	0	0	0	111	L91 T150 I153 L154 Y158 P163 L169 C170 G174 V175	L91-L172 HydrophobicContact CD2-CD1 3.88Å; T150-L172 HydrophobicContact CG2-CB 4.15Å; T150-L172 HydrophobicContact CG2-CD1 3.98Å; T150-L172 HydrophobicContact CG2-CD2 4.28Å; T150-L172 HydrophobicContact CG2-CG 4.36Å; I153-L172 HydrophobicContact CB-CD2 4.38Å; I153-L172 HydrophobicContact CG2-CD2 3.78Å; L154-L172 HydrophobicContact CD2-CD1 3.98Å; L154-L172 HydrophobicContact CD2-CD2 3.97Å; Y158-L172 HydrophobicContact CE2-CD2 4.43Å; P163-L172 HydrophobicContact CG-CD1 4.16Å; L169-L172 HydrophobicContact CD2-CD1 4.06Å; L169-L172 WeakPolarHBondContact O-CB 3.48Å; L169-L172 WeakPolarHBondContact O-CG 3.3Å; L169-L172 PolarHBondContact O-N 3.45Å; L169-L172 VanDerWaalsContact O-N 3.07Å; C170-L172 VanDerWaalsContact C-N 3.29Å; L172-G174 PolarHBondContact O-N 3.18Å; L172-V175 HydrophobicContact CB-CB 4.03Å; L172-V175 HydrophobicContact CB-CG2 3.7Å; L172-V175 HydrophobicContact CD1-CG2 4.46Å; L172-V175 PolarHBondContact O-N 3.08Å; L172-V175 VanDerWaalsContact O-N 3.08Å
173	P	97.1	Very high	97.5	Very high	29 Å²	29	37.4 Å²	37.4	19%	0.188	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	121.5	179.6	-24.4	30.9	0	0	0	113	M95 A146 K149 T150 I153 V175	M95-P173 VanDerWaalsContact CE-O 3.3Å; M95-P173 WeakPolarHBondContact CE-O 3.47Å; A146-P173 HydrophobicContact CB-CB 4.33Å; K149-P173 HydrophobicContact CB-CG 4.13Å; K149-P173 HydrophobicContact CD-CB 4.36Å; K149-P173 HydrophobicContact CD-CG 3.67Å; K149-P173 HydrophobicContact CG-CG 3.79Å; T150-P173 WeakPolarHBondContact OG1-CD 3.49Å; T150-P173 PolarHBondContact OG1-O 3.09Å; I153-P173 HydrophobicContact CD1-CG 3.93Å; P173-V175 VanDerWaalsContact C-N 3.28Å; P173-V175 PolarHBondContact O-N 3.04Å
174	G	94.9	Very high	97.5	Very high	59 Å²	59	37.3 Å²	37.3	61%	0.608	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.7	1.8	177.6	0	0	0	0	0	115.1	L172	L172-G174 PolarHBondContact O-N 3.18Å
175	V	97.5	Very high	97.5	Very high	9 Å²	9	33 Å²	33	6%	0.055	20%	0.203	C	C	.	.			trans	-97.1	111.4	177	-177.1	0	0	0	0	109.5	L91 M95 L169 L172 P173 M179	L91-V175 HydrophobicContact CD1-CG2 4.02Å; M95-V175 HydrophobicContact CG-CG2 4Å; M95-V175 HydrophobicContact SD-CG2 4.2Å; L169-V175 HydrophobicContact CB-CG1 4.4Å; L169-V175 WeakPolarHBondContact O-CB 3.21Å; L169-V175 VanDerWaalsContact O-CG1 3.23Å; L169-V175 WeakPolarHBondContact O-CG1 3.09Å; L172-V175 HydrophobicContact CB-CB 4.03Å; L172-V175 HydrophobicContact CB-CG2 3.7Å; L172-V175 HydrophobicContact CD1-CG2 4.46Å; L172-V175 PolarHBondContact O-N 3.08Å; L172-V175 VanDerWaalsContact O-N 3.08Å; P173-V175 VanDerWaalsContact C-N 3.28Å; P173-V175 PolarHBondContact O-N 3.04Å; V175-M179 HydrophobicContact CG1-CB 3.88Å
176	G	96	Very high	97.3	Very high	28 Å²	28	33.6 Å²	33.6	29%	0.289	20%	0.203	S	C	.	.			trans	-100	176.1	175.4	0	0	0	0	0	113.4	K178 M179 A180	G176-K178 VanDerWaalsContact C-N 3.33Å; G176-K178 PolarHBondContact O-N 3.18Å; G176-M179 WeakPolarHBondContact O-CB 3.47Å; G176-M179 PolarHBondContact O-N 2.66Å; G176-A180 PolarHBondContact O-N 3.11Å
177	P	96.9	Very high	97.2	Very high	57 Å²	57	33.6 Å²	33.6	37%	0.37	21%	0.205	S	C	.	.	H	α-helix	trans	-51.3	-44.9	-175.7	-29.7	35.3	0	0	0	114.4	M179 A180 Y181	P177-M179 VanDerWaalsContact C-N 3.3Å; P177-M179 PolarHBondContact O-N 2.77Å; P177-A180 PolarHBondContact O-N 2.82Å; P177-A180 VanDerWaalsContact O-N 3.16Å; P177-Y181 HydrophobicContact CB-CD2 4.42Å; P177-Y181 HydrophobicContact CB-CE2 4.18Å; P177-Y181 WeakPolarHBondContact O-CD2 3.47Å; P177-Y181 PolarHBondContact O-N 2.79Å
178	K	96.2	Very high	97.2	Very high	48 Å²	48	32.3 Å²	32.3	21%	0.209	19%	0.188	C	C	.	.	H	α-helix	trans	-53.5	-46.6	176.1	178.6	-91.7	-171.8	-175	0	112.4	G176 L182 V196 D197	G176-K178 VanDerWaalsContact C-N 3.33Å; G176-K178 PolarHBondContact O-N 3.18Å; K178-L182 HydrophobicContact CD-CD1 3.8Å; K178-L182 HydrophobicContact CG-CD1 4.33Å; K178-L182 VanDerWaalsContact O-CG 3.28Å; K178-L182 WeakPolarHBondContact O-CG 3.47Å; K178-L182 PolarHBondContact O-N 2.99Å; K178-V196 WeakPolarHBondContact CB-O 3.18Å; K178-V196 WeakPolarHBondContact CG-O 3.3Å; K178-D197 HydrophobicContact CD-CB 4.41Å; K178-D197 HydrophobicContact CG-CB 4.05Å
179	M	97.2	Very high	97	Very high	14 Å²	14	35.8 Å²	35.8	7%	0.069	21%	0.207	C	C	.	.	H	α-helix	trans	-69.4	-42.2	-179.2	-63.9	-178.5	-171.4	0	0	110.4	L94 M95 S98 V175 G176 P177 L182 A183	L94-M179 HydrophobicContact CB-CB 4.35Å; L94-M179 HydrophobicContact CB-CG 4.27Å; L94-M179 WeakPolarHBondContact O-CE 3.43Å; M95-M179 HydrophobicContact CG-SD 4.42Å; S98-M179 VanDerWaalsContact CB-CE 3.42Å; V175-M179 HydrophobicContact CG1-CB 3.88Å; G176-M179 WeakPolarHBondContact O-CB 3.47Å; G176-M179 PolarHBondContact O-N 2.66Å; P177-M179 VanDerWaalsContact C-N 3.3Å; P177-M179 PolarHBondContact O-N 2.77Å; M179-L182 PolarHBondContact O-N 3.22Å; M179-A183 WeakPolarHBondContact O-CB 3.31Å; M179-A183 PolarHBondContact O-N 2.78Å
180	A	98.1	Very high	97	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.6	-47.6	-179.6	0	0	0	0	0	112.4	V166 L169 C170 G176 P177 L182 A183 V184	V166-A180 HydrophobicContact CB-CB 4.42Å; V166-A180 HydrophobicContact CG1-CB 3.79Å; L169-A180 HydrophobicContact CB-CB 3.66Å; L169-A180 HydrophobicContact CD1-CB 4.4Å; C170-A180 VanDerWaalsContact SG-CB 3.59Å; G176-A180 PolarHBondContact O-N 3.11Å; P177-A180 PolarHBondContact O-N 2.82Å; P177-A180 VanDerWaalsContact O-N 3.16Å; A180-L182 PolarHBondContact O-N 3.06Å; A180-A183 PolarHBondContact O-N 3.38Å; A180-V184 WeakPolarHBondContact O-CG2 3.48Å; A180-V184 PolarHBondContact O-N 3.46Å
181	Y	98	Very high	96.9	Very high	29 Å²	29	40.1 Å²	40.1	11%	0.114	22%	0.219	C	C	.	.	H	α-helix	trans	-61.7	-45.5	176.5	-73.1	-65.2	0	0	0	112.3	V166 P177 A183 V184 Q185 G193 R221	V166-Y181 HydrophobicContact CB-CE1 4.29Å; V166-Y181 HydrophobicContact CG1-CD1 4.15Å; V166-Y181 HydrophobicContact CG1-CD2 4.41Å; V166-Y181 HydrophobicContact CG1-CE1 3.82Å; V166-Y181 HydrophobicContact CG1-CE2 4.07Å; V166-Y181 HydrophobicContact CG1-CG 4.42Å; V166-Y181 HydrophobicContact CG2-CD1 3.64Å; V166-Y181 HydrophobicContact CG2-CE1 3.71Å; V166-Y181 HydrophobicContact CG2-CG 4.4Å; P177-Y181 HydrophobicContact CB-CD2 4.42Å; P177-Y181 HydrophobicContact CB-CE2 4.18Å; P177-Y181 WeakPolarHBondContact O-CD2 3.47Å; P177-Y181 PolarHBondContact O-N 2.79Å; Y181-A183 VanDerWaalsContact C-N 3.34Å; Y181-A183 PolarHBondContact O-N 2.89Å; Y181-V184 PolarHBondContact O-N 3.33Å; Y181-Q185 VanDerWaalsContact O-CB 3.31Å; Y181-Q185 WeakPolarHBondContact O-CB 3.38Å; Y181-Q185 PolarHBondContact O-N 2.96Å; Y181-G193 VanDerWaalsContact CD1-CA 3.44Å; Y181-R221 PolarHBondContact OH-NH1 3.46Å; Y181-R221 VanDerWaalsContact OH-NH1 3.11Å
182	L	97	Very high	96.9	Very high	14 Å²	14	36.2 Å²	36.2	7%	0.073	21%	0.205	C	C	.	.	H	α-helix	trans	-65.3	-38.4	177.7	-68.5	178.8	0	0	0	112.2	L94 K178 M179 A180 Q185 I186 N237	L94-L182 HydrophobicContact CD1-CB 4.4Å; L94-L182 HydrophobicContact CD2-CB 4.05Å; L94-L182 HydrophobicContact CD2-CD1 4.05Å; K178-L182 HydrophobicContact CD-CD1 3.8Å; K178-L182 HydrophobicContact CG-CD1 4.33Å; K178-L182 VanDerWaalsContact O-CG 3.28Å; K178-L182 WeakPolarHBondContact O-CG 3.47Å; K178-L182 PolarHBondContact O-N 2.99Å; M179-L182 PolarHBondContact O-N 3.22Å; A180-L182 PolarHBondContact O-N 3.06Å; L182-Q185 PolarHBondContact O-N 3.01Å; L182-I186 WeakPolarHBondContact O-CB 3.4Å; L182-I186 WeakPolarHBondContact O-CD1 3.16Å; L182-I186 VanDerWaalsContact O-CG1 3.27Å; L182-I186 WeakPolarHBondContact O-CG1 3.27Å; L182-I186 PolarHBondContact O-N 3.03Å; L182-N237 HydrophobicContact CD2-CB 4.36Å
183	A	97.5	Very high	96.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.8	-50.7	176.4	0	0	0	0	0	110.5	L94 L169 M179 A180 Y181 Q185 I186 A187	L94-A183 HydrophobicContact CD1-CB 3.75Å; L169-A183 HydrophobicContact CD1-CB 3.94Å; L169-A183 HydrophobicContact CD2-CB 4.36Å; M179-A183 WeakPolarHBondContact O-CB 3.31Å; M179-A183 PolarHBondContact O-N 2.78Å; A180-A183 PolarHBondContact O-N 3.38Å; Y181-A183 VanDerWaalsContact C-N 3.34Å; Y181-A183 PolarHBondContact O-N 2.89Å; A183-Q185 VanDerWaalsContact C-N 3.32Å; A183-Q185 PolarHBondContact O-N 3.3Å; A183-I186 PolarHBondContact O-N 3.03Å; A183-A187 WeakPolarHBondContact O-CB 3.19Å; A183-A187 PolarHBondContact O-N 3.44Å
184	V	97.9	Very high	96.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.8	-42.2	177.9	176.5	0	0	0	0	111.7	V166 L169 A180 Y181 I186 W188 R190 D192	V166-V184 HydrophobicContact CG2-CB 4.48Å; V166-V184 HydrophobicContact CG2-CG2 3.91Å; L169-V184 HydrophobicContact CD1-CG2 3.49Å; L169-V184 VanDerWaalsContact CD1-CG2 3.49Å; A180-V184 WeakPolarHBondContact O-CG2 3.48Å; A180-V184 PolarHBondContact O-N 3.46Å; Y181-V184 PolarHBondContact O-N 3.33Å; V184-I186 PolarHBondContact O-N 2.96Å; V184-W188 WeakPolarHBondContact O-CA 3.3Å; V184-W188 WeakPolarHBondContact O-CB 3.3Å; V184-W188 PolarHBondContact O-N 3.44Å; V184-R190 CarbonylContact C-O 3.6Å; V184-R190 HydrophobicContact CG1-CB 3.87Å; V184-R190 PolarHBondContact O-N 3.12Å; V184-D192 HydrophobicContact CG1-CB 4.48Å
185	Q	96.8	Very high	97	Very high	21 Å²	21	31.9 Å²	31.9	10%	0.098	17%	0.166	C	C	.	.	H	α-helix	trans	-58.8	-44.3	177.8	-179	-177	-36.9	0	0	113.1	Y181 L182 A183 N189 R190 R234	Y181-Q185 VanDerWaalsContact O-CB 3.31Å; Y181-Q185 WeakPolarHBondContact O-CB 3.38Å; Y181-Q185 PolarHBondContact O-N 2.96Å; L182-Q185 PolarHBondContact O-N 3.01Å; A183-Q185 VanDerWaalsContact C-N 3.32Å; A183-Q185 PolarHBondContact O-N 3.3Å; Q185-N189 WeakPolarHBondContact O-CA 3.31Å; Q185-N189 PolarHBondContact O-N 2.89Å; Q185-R190 WeakPolarHBondContact CA-O 3.29Å; Q185-R190 PolarHBondContact N-O 3.12Å; Q185-R234 HydrophobicContact CG-CG 4.27Å; Q185-R234 VanDerWaalsContact NE2-CG 3.26Å; Q185-R234 PolarHBondContact NE2-O 3.15Å
186	I	95.4	Very high	97	Very high	68 Å²	68	31.8 Å²	31.8	35%	0.349	17%	0.166	S	C	.	.	H	α-helix	trans	-88.7	-44.1	-173.6	-59.2	160.3	0	0	0	110.9	C74 L90 L182 A183 V184	C74-I186 HydrophobicContact CB-CD1 3.81Å; C74-I186 HydrophobicContact CB-CG1 4.35Å; C74-I186 HydrophobicContact CB-CG2 4.34Å; L90-I186 HydrophobicContact CD1-CB 4.26Å; L90-I186 HydrophobicContact CD1-CD1 3.89Å; L90-I186 HydrophobicContact CD1-CG2 3.96Å; L90-I186 HydrophobicContact CD2-CB 3.69Å; L90-I186 HydrophobicContact CD2-CG2 3.68Å; L90-I186 HydrophobicContact CG-CG2 4.45Å; L182-I186 WeakPolarHBondContact O-CB 3.4Å; L182-I186 WeakPolarHBondContact O-CD1 3.16Å; L182-I186 VanDerWaalsContact O-CG1 3.27Å; L182-I186 WeakPolarHBondContact O-CG1 3.27Å; L182-I186 PolarHBondContact O-N 3.03Å; A183-I186 PolarHBondContact O-N 3.03Å; V184-I186 PolarHBondContact O-N 2.96Å
187	A	96.3	Very high	96.9	Very high	20 Å²	20	31.8 Å²	31.8	17%	0.165	16%	0.159	C	C	.	.	H	α-helix	trans	-71.9	-37.4	-176.3	0	0	0	0	0	113.4	R87 L90 I162 A183	R87-A187 HydrophobicContact CB-CB 4.48Å; R87-A187 HydrophobicContact CG-CB 3.74Å; L90-A187 HydrophobicContact CD2-CB 3.96Å; I162-A187 HydrophobicContact CD1-CB 3.76Å; A183-A187 WeakPolarHBondContact O-CB 3.19Å; A183-A187 PolarHBondContact O-N 3.44Å
188	W	96.6	Very high	96.9	Very high	53 Å²	53	33.7 Å²	33.7	20%	0.201	17%	0.17	C	C	.	.	S	Bend	trans	-118.7	7.3	-171.5	-52	121.6	0	0	0	112.8	I162 P163 Q164 V184 R190	I162-W188 HydrophobicContact CG1-CZ2 4.1Å; P163-W188 PolarHBondContact O-NE1 3.44Å; Q164-W188 HydrophobicContact CG-CD2 4.18Å; Q164-W188 HydrophobicContact CG-CH2 4.06Å; Q164-W188 HydrophobicContact CG-CZ2 3.62Å; V184-W188 WeakPolarHBondContact O-CA 3.3Å; V184-W188 WeakPolarHBondContact O-CB 3.3Å; V184-W188 PolarHBondContact O-N 3.44Å; W188-R190 PolarHBondContact O-N 3.23Å; W188-R190 VanDerWaalsContact O-N 3.09Å
189	N	95.6	Very high	96.9	Very high	115 Å²	115	33.1 Å²	33.1	62%	0.615	17%	0.168	S	C	*	.	S	Bend	trans	52.7	28.6	-177.9	-163.8	26.4	0	0	0	114.1	Q185 R234	Q185-N189 WeakPolarHBondContact O-CA 3.31Å; Q185-N189 PolarHBondContact O-N 2.89Å; N189-R234 PolarHBondContact O-NH2 3.28Å; N189-R234 PolarHBondContact OD1-NH1 3.24Å; N189-R234 PolarHBondContact OD1-NH2 2.89Å; N189-R234 VanDerWaalsContact OD1-NH2 3.1Å
190	R	96.9	Very high	97	Very high	119 Å²	119	32.4 Å²	32.4	45%	0.449	16%	0.164	S	C	.	.			trans	-117.2	126.2	-174.9	-84.5	178	53.6	-175.1	-4.3	112.5	V184 Q185 W188 D192	V184-R190 CarbonylContact C-O 3.6Å; V184-R190 HydrophobicContact CG1-CB 3.87Å; V184-R190 PolarHBondContact O-N 3.12Å; Q185-R190 WeakPolarHBondContact CA-O 3.29Å; Q185-R190 PolarHBondContact N-O 3.12Å; W188-R190 PolarHBondContact O-N 3.23Å; W188-R190 VanDerWaalsContact O-N 3.09Å; R190-D192 IonicContact CZ-OD1 3.75Å; R190-D192 IonicContact CZ-OD2 3.68Å; R190-D192 IonicContact NE-OD1 3.63Å; R190-D192 PolarHBondContact NE-OD1 3.24Å; R190-D192 IonicContact NE-OD2 3.29Å; R190-D192 IonicContact NH2-OD1 2.66Å; R190-D192 PolarHBondContact NH2-OD1 3.16Å; R190-D192 IonicContact NH2-OD2 3.18Å; R190-D192 PolarHBondContact NH2-OD2 3.34Å; R190-D192 PolarHBondContact O-N 3.02Å
191	C	96.5	Very high	97	Very high	19 Å²	19	34.2 Å²	34.2	13%	0.128	17%	0.172	C	C	.	.			trans	-95.9	86.7	177.1	-168	0	0	0	0	110.7	G193 R230 W233	C191-G193 VanDerWaalsContact C-N 3.35Å; C191-R230 PolarHBondContact O-NH2 3.44Å; C191-W233 VanDerWaalsContact SG-CB 3.57Å
192	D	97.4	Very high	97	Very high	54 Å²	54	34.7 Å²	34.7	29%	0.289	17%	0.174	S	C	.	.			trans	-85.5	-9.9	-179.3	-72.8	10.5	0	0	0	112.8	V166 V184 R190	V166-D192 HydrophobicContact CG2-CB 4.11Å; V184-D192 HydrophobicContact CG1-CB 4.48Å; R190-D192 IonicContact CZ-OD1 3.75Å; R190-D192 IonicContact CZ-OD2 3.68Å; R190-D192 IonicContact NE-OD1 3.63Å; R190-D192 PolarHBondContact NE-OD1 3.24Å; R190-D192 IonicContact NE-OD2 3.29Å; R190-D192 IonicContact NH2-OD1 2.66Å; R190-D192 PolarHBondContact NH2-OD1 3.16Å; R190-D192 IonicContact NH2-OD2 3.18Å; R190-D192 PolarHBondContact NH2-OD2 3.34Å; R190-D192 PolarHBondContact O-N 3.02Å
193	G	97.6	Very high	97.1	Very high	1 Å²	1	34 Å²	34	1%	0.01	17%	0.171	C	C	.	.	S	Bend	trans	169.9	178.6	179	0	0	0	0	0	112.1	Y181 C191 E225	Y181-G193 VanDerWaalsContact CD1-CA 3.44Å; C191-G193 VanDerWaalsContact C-N 3.35Å; G193-E225 WeakPolarHBondContact CA-OE1 3.43Å
194	I	98.1	Very high	97.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.			trans	-92.3	122.6	-176.3	-57.9	172.5	0	0	0	110.3	V196 R221 L224 E225 L228 W233 I236	I194-V196 HydrophobicContact CB-CG2 4.49Å; I194-V196 HydrophobicContact CG2-CG2 3.93Å; I194-V196 PolarHBondContact O-N 3.37Å; I194-V196 VanDerWaalsContact O-N 3.11Å; I194-R221 HydrophobicContact CB-CG 4.32Å; I194-R221 VanDerWaalsContact O-CD 3.29Å; I194-R221 WeakPolarHBondContact O-CD 3.38Å; I194-R221 VanDerWaalsContact O-CG 3.3Å; I194-R221 WeakPolarHBondContact O-CG 3.31Å; I194-L224 HydrophobicContact CD1-CB 3.78Å; I194-E225 HydrophobicContact CB-CG 4.45Å; I194-E225 HydrophobicContact CD1-CG 3.77Å; I194-E225 HydrophobicContact CG1-CG 3.92Å; I194-E225 PolarHBondContact N-OE1 3.09Å; I194-L228 HydrophobicContact CD1-CD2 4.06Å; I194-W233 HydrophobicContact CD1-CB 4.46Å; I194-W233 HydrophobicContact CD1-CD2 4.11Å; I194-W233 HydrophobicContact CD1-CG 3.91Å; I194-W233 HydrophobicContact CG1-CB 3.91Å; I194-W233 HydrophobicContact CG1-CD2 3.85Å; I194-W233 HydrophobicContact CG1-CE3 4.2Å; I194-W233 HydrophobicContact CG1-CG 3.72Å; I194-I236 HydrophobicContact CD1-CG2 4.35Å; I194-I236 HydrophobicContact CG1-CG2 4.4Å; I194-I236 HydrophobicContact CG2-CG2 3.63Å
195	G	96.8	Very high	97.1	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.01	18%	0.18	C	C	.	.			trans	-71	101.3	168.8	0	0	0	0	0	111.1	N237	G195-N237 PolarHBondContact O-ND2 3.26Å
196	V	97.7	Very high	97.2	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.042	18%	0.181	C	C	.	.			trans	-96.6	117.2	178.7	179.2	0	0	0	0	111.1	K178 I194 V200 H201 P217 T220 R221 L224	K178-V196 WeakPolarHBondContact CB-O 3.18Å; K178-V196 WeakPolarHBondContact CG-O 3.3Å; I194-V196 HydrophobicContact CB-CG2 4.49Å; I194-V196 HydrophobicContact CG2-CG2 3.93Å; I194-V196 PolarHBondContact O-N 3.37Å; I194-V196 VanDerWaalsContact O-N 3.11Å; V196-V200 HydrophobicContact CB-CB 4.49Å; V196-V200 HydrophobicContact CB-CG1 4.28Å; V196-V200 HydrophobicContact CG1-CB 3.97Å; V196-V200 HydrophobicContact CG1-CG1 3.91Å; V196-V200 HydrophobicContact CG2-CG1 3.93Å; V196-H201 HydrophobicContact CG1-CB 3.97Å; V196-P217 HydrophobicContact CB-CB 4.34Å; V196-P217 HydrophobicContact CG1-CB 3.88Å; V196-P217 WeakPolarHBondContact CG1-O 3.42Å; V196-T220 HydrophobicContact CG1-CG2 4.25Å; V196-R221 HydrophobicContact CB-CB 4.31Å; V196-R221 HydrophobicContact CG2-CB 3.62Å; V196-R221 HydrophobicContact CG2-CG 4.15Å; V196-L224 HydrophobicContact CG2-CD1 4.37Å
197	D	95.2	Very high	97.3	Very high	28 Å²	28	33.4 Å²	33.4	15%	0.15	17%	0.166	C	C	.	.			trans	-105.6	-168	172.3	78.9	-13.4	0	0	0	111.8	K178 H199 V200 H201 V241	K178-D197 HydrophobicContact CD-CB 4.41Å; K178-D197 HydrophobicContact CG-CB 4.05Å; D197-H199 VanDerWaalsContact C-N 3.27Å; D197-H199 PolarHBondContact O-N 3.15Å; D197-H199 WeakPolarHBondContact OD1-CA 3.08Å; D197-H199 WeakPolarHBondContact OD1-CB 3.43Å; D197-H199 PolarHBondContact OD1-N 3.15Å; D197-H199 IonicContact OD2-CD2 2.97Å; D197-V200 WeakPolarHBondContact OD1-CG2 3.37Å; D197-V200 PolarHBondContact OD1-N 3.41Å; D197-H201 WeakPolarHBondContact O-CB 3.21Å; D197-H201 PolarHBondContact O-N 3.4Å; D197-V241 VanDerWaalsContact OD2-CG2 3.3Å; D197-V241 WeakPolarHBondContact OD2-CG2 3.42Å
198	T	95.3	Very high	97.3	Very high	97 Å²	97	33.6 Å²	33.6	60%	0.595	17%	0.171	S	C	*	.	H	α-helix	trans	-67.9	-24.9	179.6	58.1	0	0	0	0	113.5	R202	T198-R202 VanDerWaalsContact O-CB 3.23Å; T198-R202 WeakPolarHBondContact O-CB 3.46Å; T198-R202 PolarHBondContact O-N 2.92Å; T198-R202 PolarHBondContact O-NH1 2.75Å
199	H	97	Very high	97.4	Very high	35 Å²	35	31.1 Å²	31.1	16%	0.162	16%	0.161	C	C	.	.	H	α-helix	trans	-74.4	-55.5	174.7	-68.9	-97.4	0	0	0	110.1	D197 H201 R202 I203 V241	D197-H199 VanDerWaalsContact C-N 3.27Å; D197-H199 PolarHBondContact O-N 3.15Å; D197-H199 WeakPolarHBondContact OD1-CA 3.08Å; D197-H199 WeakPolarHBondContact OD1-CB 3.43Å; D197-H199 PolarHBondContact OD1-N 3.15Å; D197-H199 IonicContact OD2-CD2 2.97Å; H199-H201 VanDerWaalsContact C-N 3.31Å; H199-H201 PolarHBondContact O-N 2.95Å; H199-R202 PolarHBondContact ND1-NH2 3.08Å; H199-R202 PolarHBondContact O-N 3.46Å; H199-I203 HydrophobicContact CB-CD1 4.35Å; H199-I203 WeakPolarHBondContact O-CB 3.41Å; H199-I203 WeakPolarHBondContact O-CD1 3.49Å; H199-I203 WeakPolarHBondContact O-CG1 3.48Å; H199-I203 PolarHBondContact O-N 2.88Å; H199-V241 HydrophobicContact CB-CB 4.47Å; H199-V241 HydrophobicContact CB-CG2 4.07Å
200	V	98.1	Very high	97.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-57.6	-47.1	179.1	-179.7	0	0	0	0	110	V196 D197 R202 I203 S204 L224 N237 L240	V196-V200 HydrophobicContact CB-CB 4.49Å; V196-V200 HydrophobicContact CB-CG1 4.28Å; V196-V200 HydrophobicContact CG1-CB 3.97Å; V196-V200 HydrophobicContact CG1-CG1 3.91Å; V196-V200 HydrophobicContact CG2-CG1 3.93Å; D197-V200 WeakPolarHBondContact OD1-CG2 3.37Å; D197-V200 PolarHBondContact OD1-N 3.41Å; V200-R202 PolarHBondContact O-N 2.91Å; V200-I203 PolarHBondContact O-N 3.35Å; V200-S204 VanDerWaalsContact O-CB 3.31Å; V200-S204 WeakPolarHBondContact O-CB 3.39Å; V200-S204 PolarHBondContact O-N 3.17Å; V200-S204 PolarHBondContact O-OG 3.47Å; V200-L224 HydrophobicContact CG1-CD1 3.86Å; V200-N237 HydrophobicContact CG2-CB 4.36Å; V200-L240 HydrophobicContact CG1-CD1 4.07Å; V200-L240 HydrophobicContact CG2-CB 4.13Å; V200-L240 HydrophobicContact CG2-CD1 4.46Å
201	H	98.4	Very high	97.4	Very high	37 Å²	37	24.1 Å²	24.1	17%	0.171	14%	0.137	C	C	.	.	H	α-helix	trans	-55.6	-54.4	177.3	179.6	58.9	0	0	0	112.2	V196 D197 H199 I203 N205 T214 T216 P217 T220	V196-H201 HydrophobicContact CG1-CB 3.97Å; D197-H201 WeakPolarHBondContact O-CB 3.21Å; D197-H201 PolarHBondContact O-N 3.4Å; H199-H201 VanDerWaalsContact C-N 3.31Å; H199-H201 PolarHBondContact O-N 2.95Å; H201-I203 PolarHBondContact O-N 3.31Å; H201-N205 PolarHBondContact O-N 3.2Å; H201-N205 PolarHBondContact O-ND2 3.29Å; H201-T214 PolarHBondContact CE1-O 3.03Å; H201-T214 VanDerWaalsContact CE1-O 3.26Å; H201-T216 PolarHBondContact CE1-O 3.31Å; H201-T216 PolarHBondContact ND1-O 3.35Å; H201-P217 HydrophobicContact CB-CG 4.46Å; H201-T220 PolarHBondContact CE1-OG1 2.86Å; H201-T220 PolarHBondContact ND1-OG1 2.96Å
202	R	98.3	Very high	97.3	Very high	40 Å²	40	30.9 Å²	30.9	15%	0.151	17%	0.165	C	C	.	.	H	α-helix	trans	-61.7	-46.2	-178.9	179.9	-177.9	70	-102.9	5.7	111.9	T198 H199 V200 N205 R206 G244 C248	T198-R202 VanDerWaalsContact O-CB 3.23Å; T198-R202 WeakPolarHBondContact O-CB 3.46Å; T198-R202 PolarHBondContact O-N 2.92Å; T198-R202 PolarHBondContact O-NH1 2.75Å; H199-R202 PolarHBondContact ND1-NH2 3.08Å; H199-R202 PolarHBondContact O-N 3.46Å; V200-R202 PolarHBondContact O-N 2.91Å; R202-N205 PolarHBondContact O-N 2.87Å; R202-R206 WeakPolarHBondContact O-CG 3.42Å; R202-R206 PolarHBondContact O-N 3.09Å; R202-G244 PolarHBondContact NH2-O 3.45Å; R202-C248 PolarHBondContact NE-O 3.47Å; R202-C248 PolarHBondContact NH2-O 3.11Å
203	I	98.6	Very high	97.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-72.3	-41.8	-171.7	-64.6	165.4	0	0	0	110.4	H199 V200 H201 N205 R206 L207 L240 F243 C248	H199-I203 HydrophobicContact CB-CD1 4.35Å; H199-I203 WeakPolarHBondContact O-CB 3.41Å; H199-I203 WeakPolarHBondContact O-CD1 3.49Å; H199-I203 WeakPolarHBondContact O-CG1 3.48Å; H199-I203 PolarHBondContact O-N 2.88Å; V200-I203 PolarHBondContact O-N 3.35Å; H201-I203 PolarHBondContact O-N 3.31Å; I203-N205 VanDerWaalsContact C-N 3.3Å; I203-N205 PolarHBondContact O-N 3.25Å; I203-R206 PolarHBondContact O-N 3.06Å; I203-R206 VanDerWaalsContact O-N 3.11Å; I203-L207 HydrophobicContact CG2-CD1 3.57Å; I203-L207 HydrophobicContact CG2-CG 3.96Å; I203-L207 WeakPolarHBondContact O-CB 3.15Å; I203-L207 VanDerWaalsContact O-CG 3.32Å; I203-L207 WeakPolarHBondContact O-CG 3.4Å; I203-L207 PolarHBondContact O-N 3.04Å; I203-L240 HydrophobicContact CD1-CB 4.3Å; I203-L240 WeakPolarHBondContact CD1-O 3.48Å; I203-L240 HydrophobicContact CG2-CD2 3.96Å; I203-F243 HydrophobicContact CD1-CD1 4.11Å; I203-F243 HydrophobicContact CG2-CD1 4.12Å; I203-F243 HydrophobicContact CG2-CE1 4.21Å; I203-C248 HydrophobicContact CD1-CB 4.35Å; I203-C248 HydrophobicContact CG1-CB 4.17Å
204	S	98.6	Very high	97.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.2	-39.1	176.3	-61.5	0	0	0	0	112.1	V200 G208 W209	V200-S204 VanDerWaalsContact O-CB 3.31Å; V200-S204 WeakPolarHBondContact O-CB 3.39Å; V200-S204 PolarHBondContact O-N 3.17Å; V200-S204 PolarHBondContact O-OG 3.47Å; S204-G208 PolarHBondContact O-N 2.89Å; S204-W209 PolarHBondContact O-N 2.93Å
205	N	98.4	Very high	97.2	Very high	38 Å²	38	45.9 Å²	45.9	20%	0.203	23%	0.23	C	C	.	.	H	α-helix	trans	-65.6	-42.8	172.8	-75.3	-81.2	0	0	0	111.9	H201 R202 I203 L207 G208 V210 T214	H201-N205 PolarHBondContact O-N 3.2Å; H201-N205 PolarHBondContact O-ND2 3.29Å; R202-N205 PolarHBondContact O-N 2.87Å; I203-N205 VanDerWaalsContact C-N 3.3Å; I203-N205 PolarHBondContact O-N 3.25Å; N205-L207 PolarHBondContact O-N 2.69Å; N205-G208 PolarHBondContact O-N 3.31Å; N205-V210 WeakPolarHBondContact OD1-CG2 3.48Å; N205-T214 PolarHBondContact ND2-OG1 2.69Å; N205-T214 PolarHBondContact OD1-N 3.36Å; N205-T214 PolarHBondContact OD1-OG1 2.86Å
206	R	97.9	Very high	97.2	Very high	30 Å²	30	48.6 Å²	48.6	11%	0.113	25%	0.247	C	C	.	.	H	α-helix	trans	-64.7	-37.8	178.1	-75	-176.9	173.7	172.5	-1.9	113.7	R202 I203 G208 C248 V249 P250 Y266	R202-R206 WeakPolarHBondContact O-CG 3.42Å; R202-R206 PolarHBondContact O-N 3.09Å; I203-R206 PolarHBondContact O-N 3.06Å; I203-R206 VanDerWaalsContact O-N 3.11Å; R206-G208 PolarHBondContact O-N 2.88Å; R206-C248 PolarHBondContact NH1-SG 3.26Å; R206-C248 VanDerWaalsContact NH1-SG 3.41Å; R206-V249 PolarHBondContact NH1-O 3.28Å; R206-P250 PolarHBondContact NH2-O 2.99Å; R206-Y266 HydrophobicContact CB-CD2 4.34Å; R206-Y266 HydrophobicContact CB-CG 3.97Å; R206-Y266 HydrophobicContact CG-CD1 4.24Å; R206-Y266 HydrophobicContact CG-CD2 3.69Å; R206-Y266 HydrophobicContact CG-CE2 4.19Å; R206-Y266 HydrophobicContact CG-CG 3.71Å; R206-Y266 WeakPolarHBondContact O-CB 3.4Å; R206-Y266 PolarHBondContact O-N 3.37Å
207	L	97.8	Very high	97.2	Very high	7 Å²	7	50.9 Å²	50.9	4%	0.037	26%	0.262	C	S	.	.	H	α-helix	trans	-77.5	-9.4	179.2	-66.1	176	0	0	0	112.7	M53 I57 I203 N205 W209 C264	M53-L207 HydrophobicContact SD-CB 4.37Å; M53-L207 HydrophobicContact SD-CD2 4.17Å; I57-L207 HydrophobicContact CD1-CD1 3.77Å; I203-L207 HydrophobicContact CG2-CD1 3.57Å; I203-L207 HydrophobicContact CG2-CG 3.96Å; I203-L207 WeakPolarHBondContact O-CB 3.15Å; I203-L207 VanDerWaalsContact O-CG 3.32Å; I203-L207 WeakPolarHBondContact O-CG 3.4Å; I203-L207 PolarHBondContact O-N 3.04Å; N205-L207 PolarHBondContact O-N 2.69Å; L207-W209 VanDerWaalsContact C-N 3.3Å; L207-W209 HydrophobicContact CB-CD2 4.08Å; L207-W209 HydrophobicContact CB-CG 3.86Å; L207-W209 HydrophobicContact CD1-CD2 3.87Å; L207-W209 HydrophobicContact CD1-CE3 4.07Å; L207-W209 HydrophobicContact CD1-CH2 3.93Å; L207-W209 HydrophobicContact CD1-CZ2 3.74Å; L207-W209 HydrophobicContact CD1-CZ3 4.1Å; L207-C264 HydrophobicContact CD2-CB 4.45Å
208	G	97.3	Very high	97.3	Very high	25 Å²	25	52.3 Å²	52.3	26%	0.258	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	24	-172.7	0	0	0	0	0	113.1	P47 S204 N205 R206 V210	P47-G208 WeakPolarHBondContact CB-O 3.27Å; S204-G208 PolarHBondContact O-N 2.89Å; N205-G208 PolarHBondContact O-N 3.31Å; R206-G208 PolarHBondContact O-N 2.88Å; G208-V210 PolarHBondContact O-N 3.13Å
209	W	97.9	Very high	97.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.26	C	S	.	.			trans	-80.9	9.9	-179.3	-76	9.6	0	0	0	114.1	P47 M53 L54 I57 S204 L207 L224 W227 I236 L240	P47-W209 HydrophobicContact CG-CB 4.42Å; P47-W209 HydrophobicContact CG-CG 4.39Å; M53-W209 HydrophobicContact CB-CZ2 4.08Å; L54-W209 HydrophobicContact CB-CH2 4.16Å; L54-W209 HydrophobicContact CB-CZ2 4.26Å; L54-W209 HydrophobicContact CD1-CH2 3.91Å; I57-W209 HydrophobicContact CD1-CH2 4.16Å; I57-W209 HydrophobicContact CD1-CZ2 4.45Å; S204-W209 PolarHBondContact O-N 2.93Å; L207-W209 VanDerWaalsContact C-N 3.3Å; L207-W209 HydrophobicContact CB-CD2 4.08Å; L207-W209 HydrophobicContact CB-CG 3.86Å; L207-W209 HydrophobicContact CD1-CD2 3.87Å; L207-W209 HydrophobicContact CD1-CE3 4.07Å; L207-W209 HydrophobicContact CD1-CH2 3.93Å; L207-W209 HydrophobicContact CD1-CZ2 3.74Å; L207-W209 HydrophobicContact CD1-CZ3 4.1Å; W209-L224 HydrophobicContact CB-CD2 4.07Å; W209-L224 HydrophobicContact CE3-CD2 4.28Å; W209-W227 HydrophobicContact CB-CZ2 3.89Å; W209-W227 HydrophobicContact CD2-CH2 4.36Å; W209-W227 HydrophobicContact CD2-CZ2 4.31Å; W209-W227 HydrophobicContact CG-CH2 4.34Å; W209-W227 AromaticContact CG-CZ2 3.97Å; W209-W227 HydrophobicContact CG-CZ2 3.97Å; W209-W227 PolarHBondContact O-NE1 2.7Å; W209-I236 HydrophobicContact CH2-CD1 4.36Å; W209-I236 HydrophobicContact CZ3-CD1 3.81Å; W209-L240 HydrophobicContact CZ3-CD1 4.1Å; W209-L240 HydrophobicContact CZ3-CD2 4.21Å
210	V	97.6	Very high	97.5	Very high	11 Å²	11	50.4 Å²	50.4	7%	0.067	25%	0.252	C	S	.	.	S	Bend	trans	-122.7	138.4	173.6	-65.1	0	0	0	0	107.9	N205 G208 K212 T214 T220 A223	N205-V210 WeakPolarHBondContact OD1-CG2 3.48Å; G208-V210 PolarHBondContact O-N 3.13Å; V210-K212 WeakPolarHBondContact CB-O 3.39Å; V210-K212 WeakPolarHBondContact CG2-O 3.4Å; V210-K212 PolarHBondContact O-N 3.4Å; V210-T214 HydrophobicContact CB-CG2 4.07Å; V210-T214 HydrophobicContact CG1-CG2 4.06Å; V210-T214 HydrophobicContact CG2-CG2 4.38Å; V210-T220 HydrophobicContact CG1-CG2 3.96Å; V210-A223 HydrophobicContact CB-CB 4.07Å; V210-A223 HydrophobicContact CG1-CB 3.77Å
211	P	94.1	Very high	97.5	Very high	76 Å²	76	51.5 Å²	51.5	49%	0.494	26%	0.256	S	S	.	.	S	Bend	trans	-65.7	-25.1	-175.5	25.5	-33.1	0	0	0	112.3	W45	W45-P211 HydrophobicContact CD2-CB 4.05Å; W45-P211 HydrophobicContact CE3-CB 3.9Å; W45-P211 HydrophobicContact CE3-CG 4.44Å; W45-P211 VanDerWaalsContact CH2-CA 3.49Å; W45-P211 HydrophobicContact CH2-CB 4.1Å; W45-P211 HydrophobicContact CZ2-CB 4.24Å; W45-P211 HydrophobicContact CZ3-CB 3.93Å; W45-P211 HydrophobicContact CZ3-CG 4.36Å
212	K	94.4	Very high	97.4	Very high	162 Å²	162	55.7 Å²	55.7	70%	0.704	27%	0.274	S	S	*	.	S	Bend	trans	-141.8	154.4	170.1	63.6	-177.4	179.1	-174.9	0	109	V210 T214	V210-K212 WeakPolarHBondContact CB-O 3.39Å; V210-K212 WeakPolarHBondContact CG2-O 3.4Å; V210-K212 PolarHBondContact O-N 3.4Å; K212-T214 WeakPolarHBondContact O-CG2 3.35Å; K212-T214 PolarHBondContact O-N 3.29Å
213	E	95.9	Very high	97.4	Very high	173 Å²	173	54.3 Å²	54.3	81%	0.808	27%	0.271	S	S	*	.			trans	-53.4	131.2	175	-171.1	176.7	-176.5	0	0	110.6
214	T	97.7	Very high	97.4	Very high	10 Å²	10	54.3 Å²	54.3	6%	0.061	27%	0.271	C	S	.	.			trans	-108.8	139.4	-176.2	51.4	0	0	0	0	109.7	H201 N205 V210 K212 Q219 T220 A223	H201-T214 PolarHBondContact CE1-O 3.03Å; H201-T214 VanDerWaalsContact CE1-O 3.26Å; N205-T214 PolarHBondContact ND2-OG1 2.69Å; N205-T214 PolarHBondContact OD1-N 3.36Å; N205-T214 PolarHBondContact OD1-OG1 2.86Å; V210-T214 HydrophobicContact CB-CG2 4.07Å; V210-T214 HydrophobicContact CG1-CG2 4.06Å; V210-T214 HydrophobicContact CG2-CG2 4.38Å; K212-T214 WeakPolarHBondContact O-CG2 3.35Å; K212-T214 PolarHBondContact O-N 3.29Å; T214-Q219 HydrophobicContact CG2-CB 3.85Å; T214-T220 PolarHBondContact OG1-OG1 3.43Å; T214-A223 HydrophobicContact CG2-CB 4.46Å
215	K	97.4	Very high	97.3	Very high	186 Å²	186	56.4 Å²	56.4	81%	0.809	28%	0.281	S	S	*	.	S	Bend	trans	-96.4	-18.2	-177.1	-62.8	-175.4	179.5	-177.7	0	113.3
216	T	97.3	Very high	97.2	Very high	58 Å²	58	58 Å²	58	36%	0.356	29%	0.294	S	S	.	.	S	Bend	trans	-131.9	151.8	-177	72.4	0	0	0	0	111.7	H201 E218 Q219 T220	H201-T216 PolarHBondContact CE1-O 3.31Å; H201-T216 PolarHBondContact ND1-O 3.35Å; T216-E218 PolarHBondContact O-N 3.46Å; T216-Q219 WeakPolarHBondContact O-CB 3.06Å; T216-Q219 PolarHBondContact O-N 2.93Å; T216-Q219 VanDerWaalsContact O-N 3.13Å; T216-Q219 WeakPolarHBondContact OG1-CG 3.39Å; T216-Q219 PolarHBondContact OG1-N 3.5Å; T216-T220 PolarHBondContact O-N 2.82Å; T216-T220 VanDerWaalsContact O-N 3.15Å; T216-T220 PolarHBondContact O-OG1 2.95Å
217	P	97.2	Very high	97.2	Very high	55 Å²	55	57 Å²	57	36%	0.357	29%	0.291	S	S	.	.	H	α-helix	trans	-54.7	-36.8	174.6	-29.2	36.8	0	0	0	113.5	V196 H201 T220 R221	V196-P217 HydrophobicContact CB-CB 4.34Å; V196-P217 HydrophobicContact CG1-CB 3.88Å; V196-P217 WeakPolarHBondContact CG1-O 3.42Å; H201-P217 HydrophobicContact CB-CG 4.46Å; P217-T220 PolarHBondContact O-N 2.85Å; P217-R221 PolarHBondContact O-N 3.31Å
218	E	97.2	Very high	97.1	Very high	59 Å²	59	56.8 Å²	56.8	28%	0.276	29%	0.29	S	S	.	.	H	α-helix	trans	-69.4	-34.6	179.9	-175.9	56.1	-156.2	0	0	112.5	T216 R221 K222	T216-E218 PolarHBondContact O-N 3.46Å; E218-R221 VanDerWaalsContact CD-NE 3.35Å; E218-R221 PolarHBondContact O-N 3.46Å; E218-R221 IonicContact OE1-CZ 3.29Å; E218-R221 VanDerWaalsContact OE1-CZ 3.25Å; E218-R221 IonicContact OE1-NE 3.53Å; E218-R221 PolarHBondContact OE1-NE 3.17Å; E218-R221 IonicContact OE1-NH2 2.7Å; E218-R221 PolarHBondContact OE1-NH2 3.4Å; E218-R221 IonicContact OE2-NE 2.99Å; E218-R221 PolarHBondContact OE2-NE 2.89Å; E218-K222 WeakPolarHBondContact O-CG 3.24Å; E218-K222 PolarHBondContact O-N 3.28Å; E218-K222 WeakPolarHBondContact OE1-CE 3.42Å
219	Q	98	Very high	97.1	Very high	92 Å²	92	57.7 Å²	57.7	43%	0.43	29%	0.291	S	S	.	.	H	α-helix	trans	-65.4	-42.5	171.3	-73.2	171.3	-3.8	0	0	111.1	T214 T216 R221 K222 A223	T214-Q219 HydrophobicContact CG2-CB 3.85Å; T216-Q219 WeakPolarHBondContact O-CB 3.06Å; T216-Q219 PolarHBondContact O-N 2.93Å; T216-Q219 VanDerWaalsContact O-N 3.13Å; T216-Q219 WeakPolarHBondContact OG1-CG 3.39Å; T216-Q219 PolarHBondContact OG1-N 3.5Å; Q219-R221 VanDerWaalsContact C-N 3.34Å; Q219-R221 PolarHBondContact O-N 2.98Å; Q219-K222 PolarHBondContact O-N 3.39Å; Q219-A223 WeakPolarHBondContact O-CB 3.47Å; Q219-A223 PolarHBondContact O-N 3.22Å
220	T	98.5	Very high	97.1	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-64	-38.6	175.6	-54.2	0	0	0	0	112.3	V196 H201 V210 T214 T216 P217 A223 L224	V196-T220 HydrophobicContact CG1-CG2 4.25Å; H201-T220 PolarHBondContact CE1-OG1 2.86Å; H201-T220 PolarHBondContact ND1-OG1 2.96Å; V210-T220 HydrophobicContact CG1-CG2 3.96Å; T214-T220 PolarHBondContact OG1-OG1 3.43Å; T216-T220 PolarHBondContact O-N 2.82Å; T216-T220 VanDerWaalsContact O-N 3.15Å; T216-T220 PolarHBondContact O-OG1 2.95Å; P217-T220 PolarHBondContact O-N 2.85Å; T220-A223 PolarHBondContact O-N 3.45Å; T220-L224 HydrophobicContact CG2-CD1 4Å; T220-L224 HydrophobicContact CG2-CG 4.2Å; T220-L224 WeakPolarHBondContact O-CG 3.27Å; T220-L224 PolarHBondContact O-N 3.38Å
221	R	98.2	Very high	97	Very high	23 Å²	23	71.7 Å²	71.7	9%	0.087	35%	0.349	C	S	.	.	H	α-helix	trans	-56.6	-55.9	176.2	-176.1	-170.7	71.3	78.9	6	110.7	Y181 I194 V196 P217 E218 Q219 A223 L224 E225	Y181-R221 PolarHBondContact OH-NH1 3.46Å; Y181-R221 VanDerWaalsContact OH-NH1 3.11Å; I194-R221 HydrophobicContact CB-CG 4.32Å; I194-R221 VanDerWaalsContact O-CD 3.29Å; I194-R221 WeakPolarHBondContact O-CD 3.38Å; I194-R221 VanDerWaalsContact O-CG 3.3Å; I194-R221 WeakPolarHBondContact O-CG 3.31Å; V196-R221 HydrophobicContact CB-CB 4.31Å; V196-R221 HydrophobicContact CG2-CB 3.62Å; V196-R221 HydrophobicContact CG2-CG 4.15Å; P217-R221 PolarHBondContact O-N 3.31Å; E218-R221 VanDerWaalsContact CD-NE 3.35Å; E218-R221 PolarHBondContact O-N 3.46Å; E218-R221 IonicContact OE1-CZ 3.29Å; E218-R221 VanDerWaalsContact OE1-CZ 3.25Å; E218-R221 IonicContact OE1-NE 3.53Å; E218-R221 PolarHBondContact OE1-NE 3.17Å; E218-R221 IonicContact OE1-NH2 2.7Å; E218-R221 PolarHBondContact OE1-NH2 3.4Å; E218-R221 IonicContact OE2-NE 2.99Å; E218-R221 PolarHBondContact OE2-NE 2.89Å; Q219-R221 VanDerWaalsContact C-N 3.34Å; Q219-R221 PolarHBondContact O-N 2.98Å; R221-A223 PolarHBondContact O-N 2.91Å; R221-L224 PolarHBondContact O-N 3.23Å; R221-L224 VanDerWaalsContact O-N 3.15Å; R221-E225 HydrophobicContact CG-CG 4.43Å; R221-E225 VanDerWaalsContact CG-OE1 3.27Å; R221-E225 WeakPolarHBondContact CG-OE1 3.35Å; R221-E225 IonicContact CZ-OE1 3.48Å; R221-E225 IonicContact CZ-OE2 3.06Å; R221-E225 IonicContact NH1-OE1 2.65Å; R221-E225 PolarHBondContact NH1-OE1 3.09Å; R221-E225 IonicContact NH1-OE2 2.99Å; R221-E225 PolarHBondContact NH1-OE2 3.36Å; R221-E225 WeakPolarHBondContact O-CG 3.39Å; R221-E225 PolarHBondContact O-N 3.25Å
222	K	97.6	Very high	97.2	Very high	125 Å²	125	69.5 Å²	69.5	54%	0.543	33%	0.331	S	S	.	.	H	α-helix	trans	-57.8	-38.8	178.8	-67.8	-179.7	-179.7	-173.7	0	112.1	E218 Q219 S226	E218-K222 WeakPolarHBondContact O-CG 3.24Å; E218-K222 PolarHBondContact O-N 3.28Å; E218-K222 WeakPolarHBondContact OE1-CE 3.42Å; Q219-K222 PolarHBondContact O-N 3.39Å; K222-S226 PolarHBondContact O-N 3Å
223	A	97.6	Very high	97.3	Very high	10 Å²	10	63.3 Å²	63.3	8%	0.083	30%	0.303	C	S	.	.	H	α-helix	trans	-67.7	-40	176.8	0	0	0	0	0	113.5	V210 T214 Q219 T220 R221 S226 W227	V210-A223 HydrophobicContact CB-CB 4.07Å; V210-A223 HydrophobicContact CG1-CB 3.77Å; T214-A223 HydrophobicContact CG2-CB 4.46Å; Q219-A223 WeakPolarHBondContact O-CB 3.47Å; Q219-A223 PolarHBondContact O-N 3.22Å; T220-A223 PolarHBondContact O-N 3.45Å; R221-A223 PolarHBondContact O-N 2.91Å; A223-S226 PolarHBondContact O-OG 3.46Å; A223-W227 PolarHBondContact O-NE1 2.97Å
224	L	98	Very high	97.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-69	-44.2	175.9	-72.1	171.8	0	0	0	111	I194 V196 V200 W209 T220 R221 S226 W227 L228	I194-L224 HydrophobicContact CD1-CB 3.78Å; V196-L224 HydrophobicContact CG2-CD1 4.37Å; V200-L224 HydrophobicContact CG1-CD1 3.86Å; W209-L224 HydrophobicContact CB-CD2 4.07Å; W209-L224 HydrophobicContact CE3-CD2 4.28Å; T220-L224 HydrophobicContact CG2-CD1 4Å; T220-L224 HydrophobicContact CG2-CG 4.2Å; T220-L224 WeakPolarHBondContact O-CG 3.27Å; T220-L224 PolarHBondContact O-N 3.38Å; R221-L224 PolarHBondContact O-N 3.23Å; R221-L224 VanDerWaalsContact O-N 3.15Å; L224-S226 PolarHBondContact O-N 2.91Å; L224-W227 HydrophobicContact CD2-CZ2 4.12Å; L224-W227 PolarHBondContact O-N 2.89Å; L224-L228 WeakPolarHBondContact O-CB 3.42Å; L224-L228 PolarHBondContact O-N 3.32Å
225	E	97.4	Very high	97.3	Very high	44 Å²	44	63.4 Å²	63.4	21%	0.206	30%	0.302	C	S	.	.	H	α-helix	trans	-65.6	-21.4	-179.2	-70.4	-179.9	-168.6	0	0	113.3	G193 I194 R221 W227 W233	G193-E225 WeakPolarHBondContact CA-OE1 3.43Å; I194-E225 HydrophobicContact CB-CG 4.45Å; I194-E225 HydrophobicContact CD1-CG 3.77Å; I194-E225 HydrophobicContact CG1-CG 3.92Å; I194-E225 PolarHBondContact N-OE1 3.09Å; R221-E225 HydrophobicContact CG-CG 4.43Å; R221-E225 VanDerWaalsContact CG-OE1 3.27Å; R221-E225 WeakPolarHBondContact CG-OE1 3.35Å; R221-E225 IonicContact CZ-OE1 3.48Å; R221-E225 IonicContact CZ-OE2 3.06Å; R221-E225 IonicContact NH1-OE1 2.65Å; R221-E225 PolarHBondContact NH1-OE1 3.09Å; R221-E225 IonicContact NH1-OE2 2.99Å; R221-E225 PolarHBondContact NH1-OE2 3.36Å; R221-E225 WeakPolarHBondContact O-CG 3.39Å; R221-E225 PolarHBondContact O-N 3.25Å; E225-W227 PolarHBondContact O-N 3.5Å; E225-W233 HydrophobicContact CB-CH2 3.67Å; E225-W233 HydrophobicContact CB-CZ2 3.58Å; E225-W233 HydrophobicContact CB-CZ3 4.49Å; E225-W233 HydrophobicContact CG-CD2 4.36Å; E225-W233 HydrophobicContact CG-CE3 4.28Å; E225-W233 HydrophobicContact CG-CH2 3.52Å; E225-W233 HydrophobicContact CG-CZ2 3.63Å; E225-W233 HydrophobicContact CG-CZ3 3.87Å
226	S	96.6	Very high	97.3	Very high	71 Å²	71	54.7 Å²	54.7	50%	0.497	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-10.5	179.2	74.9	0	0	0	0	114.4	K222 A223 L224	K222-S226 PolarHBondContact O-N 3Å; A223-S226 PolarHBondContact O-OG 3.46Å; L224-S226 PolarHBondContact O-N 2.91Å
227	W	96.7	Very high	97.2	Very high	9 Å²	9	52.7 Å²	52.7	3%	0.034	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-147.6	-28.9	-176.3	72.2	-98.5	0	0	0	115.2	W45 Q46 P47 W50 W209 A223 L224 E225 P229	W45-W227 AromaticContact CE3-CD1 3.89Å; W45-W227 HydrophobicContact CE3-CG 4.3Å; W45-W227 AromaticContact CZ3-CD1 3.71Å; W45-W227 HydrophobicContact CZ3-CG 4.37Å; W45-W227 AromaticContact CZ3-NE1 3.78Å; W45-W227 WeakPolarHBondContact O-CB 3.32Å; Q46-W227 HydrophobicContact CB-CE3 4.47Å; Q46-W227 HydrophobicContact CG-CB 4.44Å; Q46-W227 HydrophobicContact CG-CE3 4.2Å; P47-W227 VanDerWaalsContact CD-CD2 3.43Å; P47-W227 VanDerWaalsContact CD-CE2 3.48Å; P47-W227 HydrophobicContact CG-CD2 4.08Å; P47-W227 HydrophobicContact CG-CE3 4.35Å; P47-W227 HydrophobicContact CG-CH2 3.78Å; P47-W227 HydrophobicContact CG-CZ2 3.42Å; P47-W227 VanDerWaalsContact CG-CZ2 3.42Å; P47-W227 HydrophobicContact CG-CZ3 4.23Å; W50-W227 HydrophobicContact CB-CH2 3.82Å; W50-W227 HydrophobicContact CB-CZ3 3.94Å; W50-W227 HydrophobicContact CD2-CE3 4.48Å; W50-W227 HydrophobicContact CD2-CH2 4.04Å; W50-W227 AromaticContact CD2-CZ3 3.44Å; W50-W227 HydrophobicContact CD2-CZ3 3.44Å; W50-W227 VanDerWaalsContact CD2-CZ3 3.44Å; W50-W227 AromaticContact CE2-CZ3 3.94Å; W50-W227 HydrophobicContact CE3-CH2 4.06Å; W50-W227 AromaticContact CE3-CZ3 3.7Å; W50-W227 HydrophobicContact CE3-CZ3 3.7Å; W50-W227 HydrophobicContact CG-CE3 4.49Å; W50-W227 AromaticContact CG-CH2 3.96Å; W50-W227 HydrophobicContact CG-CH2 3.96Å; W50-W227 AromaticContact CG-CZ3 3.55Å; W50-W227 HydrophobicContact CG-CZ3 3.55Å; W50-W227 HydrophobicContact CZ3-CZ3 4.38Å; W209-W227 HydrophobicContact CB-CZ2 3.89Å; W209-W227 HydrophobicContact CD2-CH2 4.36Å; W209-W227 HydrophobicContact CD2-CZ2 4.31Å; W209-W227 HydrophobicContact CG-CH2 4.34Å; W209-W227 AromaticContact CG-CZ2 3.97Å; W209-W227 HydrophobicContact CG-CZ2 3.97Å; W209-W227 PolarHBondContact O-NE1 2.7Å; A223-W227 PolarHBondContact O-NE1 2.97Å; L224-W227 HydrophobicContact CD2-CZ2 4.12Å; L224-W227 PolarHBondContact O-N 2.89Å; E225-W227 PolarHBondContact O-N 3.5Å; W227-P229 WeakPolarHBondContact O-CD 3.18Å
228	L	97.1	Very high	97.2	Very high	4 Å²	4	54 Å²	54	2%	0.021	25%	0.252	C	S	.	.	S	Bend	trans	-67.8	125.7	-176.9	-178.7	68.8	0	0	0	109.4	W50 I194 L224 R230 Y232 W233 I236	W50-L228 HydrophobicContact CE3-CD1 4.38Å; W50-L228 HydrophobicContact CZ3-CD1 4.1Å; I194-L228 HydrophobicContact CD1-CD2 4.06Å; L224-L228 WeakPolarHBondContact O-CB 3.42Å; L224-L228 PolarHBondContact O-N 3.32Å; L228-R230 PolarHBondContact O-N 3.15Å; L228-Y232 HydrophobicContact CD1-CD2 4.14Å; L228-Y232 HydrophobicContact CD1-CG 4.39Å; L228-W233 PolarHBondContact O-NE1 3.28Å; L228-I236 HydrophobicContact CD2-CB 4.33Å; L228-I236 HydrophobicContact CD2-CD1 4.47Å; L228-I236 HydrophobicContact CD2-CG1 4.16Å; L228-I236 HydrophobicContact CD2-CG2 4.38Å
229	P	97.1	Very high	97.2	Very high	43 Å²	43	52.5 Å²	52.5	28%	0.279	25%	0.246	S	C	.	.			trans	-57.2	136.8	179	-26.8	35.2	0	0	0	112.2	W50 W227 Q231 Y232	W50-P229 HydrophobicContact CH2-CG 3.83Å; W50-P229 HydrophobicContact CZ2-CG 4.08Å; W227-P229 WeakPolarHBondContact O-CD 3.18Å; P229-Q231 HydrophobicContact CB-CG 4.34Å; P229-Q231 PolarHBondContact O-N 2.88Å; P229-Y232 HydrophobicContact CB-CD2 3.84Å; P229-Y232 HydrophobicContact CB-CE2 3.96Å; P229-Y232 HydrophobicContact CG-CD2 4.16Å; P229-Y232 HydrophobicContact CG-CE2 4.07Å; P229-Y232 WeakPolarHBondContact O-CD2 3.23Å; P229-Y232 PolarHBondContact O-N 2.71Å
230	R	96.4	Very high	97.2	Very high	165 Å²	165	48.1 Å²	48.1	62%	0.623	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-58.1	-27.7	-169.2	-162.4	167	-175.9	-111	-1.6	114.3	C191 L228 Y232 W233	C191-R230 PolarHBondContact O-NH2 3.44Å; L228-R230 PolarHBondContact O-N 3.15Å; R230-Y232 PolarHBondContact O-N 2.85Å; R230-W233 HydrophobicContact CG-CD2 4.13Å; R230-W233 HydrophobicContact CG-CE3 4.34Å; R230-W233 HydrophobicContact CG-CG 4.41Å; R230-W233 WeakPolarHBondContact O-CB 3.34Å; R230-W233 PolarHBondContact O-N 3.49Å; R230-W233 VanDerWaalsContact O-N 3.16Å
231	Q	96.9	Very high	97.1	Very high	140 Å²	140	48.5 Å²	48.5	65%	0.654	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-58.7	-25.5	175.5	69.5	-172.5	14.9	0	0	113.7	P229	P229-Q231 HydrophobicContact CB-CG 4.34Å; P229-Q231 PolarHBondContact O-N 2.88Å
232	Y	97.4	Very high	97	Very high	31 Å²	31	47.4 Å²	47.4	12%	0.122	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-89.9	-13.4	-179.9	-59.5	-70.5	0	0	0	113.7	W50 L54 R55 L228 P229 R230 R234 D235 I236	W50-Y232 HydrophobicContact CH2-CD2 4.3Å; W50-Y232 AromaticContact CH2-CE2 3.7Å; W50-Y232 HydrophobicContact CH2-CE2 3.7Å; W50-Y232 HydrophobicContact CZ3-CD2 4.28Å; W50-Y232 AromaticContact CZ3-CE2 3.94Å; W50-Y232 HydrophobicContact CZ3-CE2 3.94Å; L54-Y232 HydrophobicContact CD2-CD1 3.62Å; L54-Y232 HydrophobicContact CD2-CD2 4.47Å; L54-Y232 HydrophobicContact CD2-CE1 3.6Å; L54-Y232 HydrophobicContact CD2-CE2 4.47Å; L54-Y232 HydrophobicContact CD2-CG 4.07Å; R55-Y232 PolarHBondContact NH2-OH 3.44Å; L228-Y232 HydrophobicContact CD1-CD2 4.14Å; L228-Y232 HydrophobicContact CD1-CG 4.39Å; P229-Y232 HydrophobicContact CB-CD2 3.84Å; P229-Y232 HydrophobicContact CB-CE2 3.96Å; P229-Y232 HydrophobicContact CG-CD2 4.16Å; P229-Y232 HydrophobicContact CG-CE2 4.07Å; P229-Y232 WeakPolarHBondContact O-CD2 3.23Å; P229-Y232 PolarHBondContact O-N 2.71Å; R230-Y232 PolarHBondContact O-N 2.85Å; Y232-R234 VanDerWaalsContact C-N 3.3Å; Y232-R234 PolarHBondContact O-N 3.26Å; Y232-D235 PolarHBondContact O-N 3.13Å; Y232-I236 WeakPolarHBondContact O-CB 3.37Å; Y232-I236 PolarHBondContact O-N 3.02Å
233	W	97.9	Very high	97	Very high	31 Å²	31	41.6 Å²	41.6	12%	0.117	20%	0.198	C	C	.	.	H	α-helix	trans	-62.5	-36	-170.3	-73.3	22.4	0	0	0	113.4	C191 I194 E225 L228 R230	C191-W233 VanDerWaalsContact SG-CB 3.57Å; I194-W233 HydrophobicContact CD1-CB 4.46Å; I194-W233 HydrophobicContact CD1-CD2 4.11Å; I194-W233 HydrophobicContact CD1-CG 3.91Å; I194-W233 HydrophobicContact CG1-CB 3.91Å; I194-W233 HydrophobicContact CG1-CD2 3.85Å; I194-W233 HydrophobicContact CG1-CE3 4.2Å; I194-W233 HydrophobicContact CG1-CG 3.72Å; E225-W233 HydrophobicContact CB-CH2 3.67Å; E225-W233 HydrophobicContact CB-CZ2 3.58Å; E225-W233 HydrophobicContact CB-CZ3 4.49Å; E225-W233 HydrophobicContact CG-CD2 4.36Å; E225-W233 HydrophobicContact CG-CE3 4.28Å; E225-W233 HydrophobicContact CG-CH2 3.52Å; E225-W233 HydrophobicContact CG-CZ2 3.63Å; E225-W233 HydrophobicContact CG-CZ3 3.87Å; L228-W233 PolarHBondContact O-NE1 3.28Å; R230-W233 HydrophobicContact CG-CD2 4.13Å; R230-W233 HydrophobicContact CG-CE3 4.34Å; R230-W233 HydrophobicContact CG-CG 4.41Å; R230-W233 WeakPolarHBondContact O-CB 3.34Å; R230-W233 PolarHBondContact O-N 3.49Å; R230-W233 VanDerWaalsContact O-N 3.16Å
234	R	96.2	Very high	97	Very high	86 Å²	86	41.2 Å²	41.2	33%	0.325	20%	0.195	S	C	.	.	H	α-helix	trans	-63.6	-42.8	-179.2	-176.8	176.4	-76.3	-105.3	2.4	111.7	Q185 N189 Y232	Q185-R234 HydrophobicContact CG-CG 4.27Å; Q185-R234 VanDerWaalsContact NE2-CG 3.26Å; Q185-R234 PolarHBondContact NE2-O 3.15Å; N189-R234 PolarHBondContact O-NH2 3.28Å; N189-R234 PolarHBondContact OD1-NH1 3.24Å; N189-R234 PolarHBondContact OD1-NH2 2.89Å; N189-R234 VanDerWaalsContact OD1-NH2 3.1Å; Y232-R234 VanDerWaalsContact C-N 3.3Å; Y232-R234 PolarHBondContact O-N 3.26Å
235	D	95.5	Very high	96.9	Very high	100 Å²	100	43.6 Å²	43.6	54%	0.535	21%	0.206	S	C	.	.	H	α-helix	trans	-100.2	-18.4	-167.6	-59.4	-45.2	0	0	0	113.3	Y232 N237 K238 L239	Y232-D235 PolarHBondContact O-N 3.13Å; D235-N237 VanDerWaalsContact C-N 3.27Å; D235-N237 PolarHBondContact O-N 3.22Å; D235-K238 PolarHBondContact O-N 2.96Å; D235-L239 WeakPolarHBondContact O-CB 3.1Å; D235-L239 PolarHBondContact O-N 3.12Å
236	I	97.6	Very high	96.8	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-57.9	-37.4	-174.5	-162.6	70	0	0	0	113	L54 I194 W209 L228 Y232 L240	L54-I236 HydrophobicContact CD1-CD1 3.84Å; I194-I236 HydrophobicContact CD1-CG2 4.35Å; I194-I236 HydrophobicContact CG1-CG2 4.4Å; I194-I236 HydrophobicContact CG2-CG2 3.63Å; W209-I236 HydrophobicContact CH2-CD1 4.36Å; W209-I236 HydrophobicContact CZ3-CD1 3.81Å; L228-I236 HydrophobicContact CD2-CB 4.33Å; L228-I236 HydrophobicContact CD2-CD1 4.47Å; L228-I236 HydrophobicContact CD2-CG1 4.16Å; L228-I236 HydrophobicContact CD2-CG2 4.38Å; Y232-I236 WeakPolarHBondContact O-CB 3.37Å; Y232-I236 PolarHBondContact O-N 3.02Å; I236-L240 HydrophobicContact CD1-CD1 4.17Å; I236-L240 HydrophobicContact CD1-CG 4.16Å; I236-L240 HydrophobicContact CG1-CD1 3.88Å; I236-L240 HydrophobicContact CG1-CG 4.15Å; I236-L240 WeakPolarHBondContact O-CB 3.33Å; I236-L240 VanDerWaalsContact O-CG 3.31Å; I236-L240 WeakPolarHBondContact O-CG 3.47Å; I236-L240 PolarHBondContact O-N 3.26Å
237	N	97	Very high	96.8	Very high	17 Å²	17	39.5 Å²	39.5	9%	0.091	18%	0.18	C	C	.	.	H	α-helix	trans	-61.4	-57	177.5	175.5	-87.2	0	0	0	110.8	L182 G195 V200 D235 L239 L240 V241	L182-N237 HydrophobicContact CD2-CB 4.36Å; G195-N237 PolarHBondContact O-ND2 3.26Å; V200-N237 HydrophobicContact CG2-CB 4.36Å; D235-N237 VanDerWaalsContact C-N 3.27Å; D235-N237 PolarHBondContact O-N 3.22Å; N237-L239 VanDerWaalsContact C-N 3.29Å; N237-L239 PolarHBondContact O-N 3.29Å; N237-L240 PolarHBondContact O-N 3.15Å; N237-V241 WeakPolarHBondContact O-CB 2.92Å; N237-V241 WeakPolarHBondContact O-CG2 3.21Å; N237-V241 PolarHBondContact O-N 3.28Å
238	K	95.6	Very high	96.9	Very high	83 Å²	83	39.7 Å²	39.7	36%	0.361	18%	0.183	S	C	.	.	H	α-helix	trans	-60.6	-41.8	-176.5	-173.5	-176.8	176.5	-165.3	0	111.2	V68 D69 D235 G242	V68-K238 HydrophobicContact CG1-CG 4.37Å; V68-K238 HydrophobicContact CG2-CG 4.2Å; D69-K238 WeakPolarHBondContact OD1-CE 3.31Å; D69-K238 IonicContact OD1-NZ 3.63Å; D235-K238 PolarHBondContact O-N 2.96Å; K238-G242 PolarHBondContact O-N 3.46Å; K238-G242 VanDerWaalsContact O-N 3.09Å
239	L	97.3	Very high	96.9	Very high	27 Å²	27	41 Å²	41	14%	0.141	19%	0.191	C	C	.	.	H	α-helix	trans	-58.8	-53.3	178.5	-176.7	69	0	0	0	111.3	L54 I57 E58 R61 D235 N237 G242 F243	L54-L239 HydrophobicContact CD1-CD2 3.52Å; I57-L239 HydrophobicContact CG2-CD1 4.02Å; I57-L239 HydrophobicContact CG2-CD2 3.99Å; I57-L239 HydrophobicContact CG2-CG 3.76Å; E58-L239 HydrophobicContact CG-CD1 4.23Å; E58-L239 HydrophobicContact CG-CD2 3.93Å; R61-L239 HydrophobicContact CB-CD1 3.94Å; R61-L239 HydrophobicContact CG-CD1 3.93Å; D235-L239 WeakPolarHBondContact O-CB 3.1Å; D235-L239 PolarHBondContact O-N 3.12Å; N237-L239 VanDerWaalsContact C-N 3.29Å; N237-L239 PolarHBondContact O-N 3.29Å; L239-G242 PolarHBondContact O-N 3.14Å; L239-F243 WeakPolarHBondContact O-CB 3.26Å; L239-F243 PolarHBondContact O-N 3Å
240	L	98.1	Very high	96.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-72.3	-31.6	-177.4	-65.4	-173.9	0	0	0	112.9	I57 V200 I203 W209 I236 N237 G244	I57-L240 HydrophobicContact CD1-CD2 4.08Å; I57-L240 HydrophobicContact CG2-CD2 4.47Å; V200-L240 HydrophobicContact CG1-CD1 4.07Å; V200-L240 HydrophobicContact CG2-CB 4.13Å; V200-L240 HydrophobicContact CG2-CD1 4.46Å; I203-L240 HydrophobicContact CD1-CB 4.3Å; I203-L240 WeakPolarHBondContact CD1-O 3.48Å; I203-L240 HydrophobicContact CG2-CD2 3.96Å; W209-L240 HydrophobicContact CZ3-CD1 4.1Å; W209-L240 HydrophobicContact CZ3-CD2 4.21Å; I236-L240 HydrophobicContact CD1-CD1 4.17Å; I236-L240 HydrophobicContact CD1-CG 4.16Å; I236-L240 HydrophobicContact CG1-CD1 3.88Å; I236-L240 HydrophobicContact CG1-CG 4.15Å; I236-L240 WeakPolarHBondContact O-CB 3.33Å; I236-L240 VanDerWaalsContact O-CG 3.31Å; I236-L240 WeakPolarHBondContact O-CG 3.47Å; I236-L240 PolarHBondContact O-N 3.26Å; N237-L240 PolarHBondContact O-N 3.15Å; L240-G244 PolarHBondContact O-N 2.82Å
241	V	96.6	Very high	96.8	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.042	21%	0.213	C	C	.	.	H	α-helix	trans	-59.8	-53.5	172	171.9	0	0	0	0	109.8	V68 D197 H199 N237 F243 G244 Q245	V68-V241 HydrophobicContact CB-CB 4.48Å; V68-V241 HydrophobicContact CB-CG1 3.72Å; V68-V241 HydrophobicContact CG1-CB 4.43Å; V68-V241 HydrophobicContact CG1-CG1 4.06Å; V68-V241 HydrophobicContact CG2-CB 4.27Å; V68-V241 HydrophobicContact CG2-CG1 3.78Å; D197-V241 VanDerWaalsContact OD2-CG2 3.3Å; D197-V241 WeakPolarHBondContact OD2-CG2 3.42Å; H199-V241 HydrophobicContact CB-CB 4.47Å; H199-V241 HydrophobicContact CB-CG2 4.07Å; N237-V241 WeakPolarHBondContact O-CB 2.92Å; N237-V241 WeakPolarHBondContact O-CG2 3.21Å; N237-V241 PolarHBondContact O-N 3.28Å; V241-F243 PolarHBondContact O-N 3.05Å; V241-G244 CarbonylContact O-C 3.26Å; V241-G244 PolarHBondContact O-N 2.79Å; V241-G244 VanDerWaalsContact O-N 3.12Å; V241-Q245 HydrophobicContact CG1-CG 4.41Å; V241-Q245 VanDerWaalsContact O-CG 3.31Å; V241-Q245 WeakPolarHBondContact O-CG 3.38Å; V241-Q245 PolarHBondContact O-N 2.92Å
242	G	96.7	Very high	96.7	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.1	-39.9	-179.7	0	0	0	0	0	113	K238 L239 G244 Q245 T246	K238-G242 PolarHBondContact O-N 3.46Å; K238-G242 VanDerWaalsContact O-N 3.09Å; L239-G242 PolarHBondContact O-N 3.14Å; G242-G244 VanDerWaalsContact C-N 3.31Å; G242-G244 PolarHBondContact O-N 3Å; G242-Q245 PolarHBondContact O-N 3.28Å; G242-T246 WeakPolarHBondContact O-CG2 2.94Å; G242-T246 PolarHBondContact O-N 3.41Å; G242-T246 VanDerWaalsContact O-N 3.13Å; G242-T246 PolarHBondContact O-OG1 2.81Å
243	F	97.8	Very high	96.7	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.018	22%	0.221	C	C	.	.	H	α-helix	trans	-61.7	-40.2	172.8	178.5	-117.7	0	0	0	112	I57 M60 R61 I203 L239 V241 Q245 T246 I247 C248	I57-F243 HydrophobicContact CD1-CD1 4.32Å; I57-F243 HydrophobicContact CD1-CE1 4.24Å; I57-F243 HydrophobicContact CG1-CD1 4.27Å; I57-F243 HydrophobicContact CG1-CD2 4.43Å; I57-F243 HydrophobicContact CG1-CE1 4.16Å; I57-F243 HydrophobicContact CG1-CE2 4.33Å; I57-F243 HydrophobicContact CG1-CG 4.42Å; I57-F243 HydrophobicContact CG1-CZ 4.21Å; I57-F243 HydrophobicContact CG2-CB 3.89Å; I57-F243 HydrophobicContact CG2-CD1 4.29Å; I57-F243 HydrophobicContact CG2-CD2 4.13Å; I57-F243 HydrophobicContact CG2-CG 3.86Å; M60-F243 HydrophobicContact CE-CD2 4.29Å; M60-F243 HydrophobicContact CE-CE2 3.49Å; M60-F243 VanDerWaalsContact CE-CE2 3.49Å; M60-F243 HydrophobicContact CE-CZ 4.1Å; M60-F243 HydrophobicContact SD-CE2 4.04Å; R61-F243 HydrophobicContact CG-CB 4.39Å; I203-F243 HydrophobicContact CD1-CD1 4.11Å; I203-F243 HydrophobicContact CG2-CD1 4.12Å; I203-F243 HydrophobicContact CG2-CE1 4.21Å; L239-F243 WeakPolarHBondContact O-CB 3.26Å; L239-F243 PolarHBondContact O-N 3Å; V241-F243 PolarHBondContact O-N 3.05Å; F243-Q245 VanDerWaalsContact C-N 3.33Å; F243-Q245 PolarHBondContact O-N 3.41Å; F243-T246 PolarHBondContact O-N 3.15Å; F243-I247 HydrophobicContact CD2-CB 3.76Å; F243-I247 HydrophobicContact CD2-CG1 4.09Å; F243-I247 HydrophobicContact CD2-CG2 4.29Å; F243-I247 HydrophobicContact CE2-CB 3.46Å; F243-I247 VanDerWaalsContact CE2-CB 3.46Å; F243-I247 HydrophobicContact CE2-CG1 4Å; F243-I247 HydrophobicContact CE2-CG2 3.47Å; F243-I247 VanDerWaalsContact CE2-CG2 3.47Å; F243-I247 HydrophobicContact CZ-CB 4.21Å; F243-I247 HydrophobicContact CZ-CG2 3.92Å; F243-I247 PolarHBondContact O-N 3.48Å; F243-C248 HydrophobicContact CD1-CB 3.8Å; F243-C248 HydrophobicContact CE1-CB 3.38Å; F243-C248 HydrophobicContact CZ-CB 3.85Å; F243-C248 PolarHBondContact O-N 3.43Å
244	G	97.6	Very high	96.6	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-72.2	-22.9	176.8	0	0	0	0	0	114.6	R202 L240 V241 G242 V249	R202-G244 PolarHBondContact NH2-O 3.45Å; L240-G244 PolarHBondContact O-N 2.82Å; V241-G244 CarbonylContact O-C 3.26Å; V241-G244 PolarHBondContact O-N 2.79Å; V241-G244 VanDerWaalsContact O-N 3.12Å; G242-G244 VanDerWaalsContact C-N 3.31Å; G242-G244 PolarHBondContact O-N 3Å; G244-V249 WeakPolarHBondContact O-CA 3.24Å
245	Q	95.3	Very high	96.6	Very high	51 Å²	51	46.5 Å²	46.5	24%	0.238	23%	0.233	C	C	.	.	H	α-helix	trans	-80.4	-27.3	174.2	-73.6	174.2	-19.2	0	0	111.9	A66 P67 V68 D102 V241 G242 F243	A66-Q245 HydrophobicContact CB-CB 4.46Å; P67-Q245 VanDerWaalsContact CD-OE1 3.28Å; V68-Q245 VanDerWaalsContact N-OE1 3.09Å; D102-Q245 PolarHBondContact OD2-NE2 3.1Å; V241-Q245 HydrophobicContact CG1-CG 4.41Å; V241-Q245 VanDerWaalsContact O-CG 3.31Å; V241-Q245 WeakPolarHBondContact O-CG 3.38Å; V241-Q245 PolarHBondContact O-N 2.92Å; G242-Q245 PolarHBondContact O-N 3.28Å; F243-Q245 VanDerWaalsContact C-N 3.33Å; F243-Q245 PolarHBondContact O-N 3.41Å
246	T	95.9	Very high	96.5	Very high	23 Å²	23	49.8 Å²	49.8	14%	0.141	24%	0.244	C	C	.	.	H	α-helix	trans	-110.3	-40.1	-169.8	54	0	0	0	0	114.6	A66 G242 F243 K254	A66-T246 HydrophobicContact CB-CG2 3.78Å; G242-T246 WeakPolarHBondContact O-CG2 2.94Å; G242-T246 PolarHBondContact O-N 3.41Å; G242-T246 VanDerWaalsContact O-N 3.13Å; G242-T246 PolarHBondContact O-OG1 2.81Å; F243-T246 PolarHBondContact O-N 3.15Å; T246-K254 PolarHBondContact O-NZ 2.87Å
247	I	97	Very high	96.3	Very high	5 Å²	5	52 Å²	52	3%	0.026	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-61.9	-173	-57.5	-64.9	0	0	0	111.3	F243 V249 K254 C258	F243-I247 HydrophobicContact CD2-CB 3.76Å; F243-I247 HydrophobicContact CD2-CG1 4.09Å; F243-I247 HydrophobicContact CD2-CG2 4.29Å; F243-I247 HydrophobicContact CE2-CB 3.46Å; F243-I247 VanDerWaalsContact CE2-CB 3.46Å; F243-I247 HydrophobicContact CE2-CG1 4Å; F243-I247 HydrophobicContact CE2-CG2 3.47Å; F243-I247 VanDerWaalsContact CE2-CG2 3.47Å; F243-I247 HydrophobicContact CZ-CB 4.21Å; F243-I247 HydrophobicContact CZ-CG2 3.92Å; F243-I247 PolarHBondContact O-N 3.48Å; I247-V249 PolarHBondContact O-N 3.02Å; I247-K254 HydrophobicContact CG2-CB 4.43Å; I247-K254 PolarHBondContact O-N 2.85Å; I247-C258 HydrophobicContact CG2-CB 3.94Å
248	C	97.8	Very high	96.3	Very high	13 Å²	13	51.8 Å²	51.8	9%	0.088	26%	0.26	C	S	.	.	S	Bend	trans	-87.6	56.2	-175.6	-163.8	0	0	0	0	112	R202 I203 R206 F243	R202-C248 PolarHBondContact NE-O 3.47Å; R202-C248 PolarHBondContact NH2-O 3.11Å; I203-C248 HydrophobicContact CD1-CB 4.35Å; I203-C248 HydrophobicContact CG1-CB 4.17Å; R206-C248 PolarHBondContact NH1-SG 3.26Å; R206-C248 VanDerWaalsContact NH1-SG 3.41Å; F243-C248 HydrophobicContact CD1-CB 3.8Å; F243-C248 HydrophobicContact CE1-CB 3.38Å; F243-C248 HydrophobicContact CZ-CB 3.85Å; F243-C248 PolarHBondContact O-N 3.43Å
249	V	96.8	Very high	96.4	Very high	33 Å²	33	52.5 Å²	52.5	20%	0.2	27%	0.267	C	S	.	.			trans	-65.8	158	-179.7	-66.8	0	0	0	0	112.2	R206 G244 I247 R251	R206-V249 PolarHBondContact NH1-O 3.28Å; G244-V249 WeakPolarHBondContact O-CA 3.24Å; I247-V249 PolarHBondContact O-N 3.02Å; V249-R251 VanDerWaalsContact CG2-O 3.26Å; V249-R251 WeakPolarHBondContact CG2-O 3.02Å; V249-R251 PolarHBondContact O-N 3.48Å
250	P	96.3	Very high	96.4	Very high	78 Å²	78	51.2 Å²	51.2	51%	0.506	26%	0.26	S	S	.	.	S	Bend	trans	-58.6	-47	-175.9	-26.6	35	0	0	0	114	R206	R206-P250 PolarHBondContact NH2-O 2.99Å
251	R	95.6	Very high	96.3	Very high	223 Å²	223	52.5 Å²	52.5	84%	0.842	27%	0.269	S	S	*	.	S	Bend	trans	-108.2	132.8	177.8	-63.9	-175.2	179.2	-174.6	-0.8	109.5	V249	V249-R251 VanDerWaalsContact CG2-O 3.26Å; V249-R251 WeakPolarHBondContact CG2-O 3.02Å; V249-R251 PolarHBondContact O-N 3.48Å
252	N	94.4	Very high	96.3	Very high	152 Å²	152	57.4 Å²	57.4	81%	0.813	30%	0.295	S	S	*	.	S	Bend	trans	49.3	64.2	179.3	-59.1	-17.4	0	0	0	113.1
253	P	97.1	Very high	96.3	Very high	21 Å²	21	59.8 Å²	59.8	14%	0.136	31%	0.307	C	S	.	.			trans	-55.9	146.6	175.4	25.1	-32.3	0	0	0	110.9	C255 Y266	P253-C255 PolarHBondContact O-N 3.37Å; P253-Y266 HydrophobicContact CG-CD1 4.47Å; P253-Y266 HydrophobicContact CG-CE1 3.64Å
254	K	96	Very high	96.2	Very high	100 Å²	100	60.1 Å²	60.1	44%	0.435	31%	0.31	S	S	.	.			trans	-78.1	56.7	-176.4	-58.1	-179.1	-176.6	169.3	0	111.4	T246 I247 H256 S257 C258	T246-K254 PolarHBondContact O-NZ 2.87Å; I247-K254 HydrophobicContact CG2-CB 4.43Å; I247-K254 PolarHBondContact O-N 2.85Å; K254-H256 PolarHBondContact O-N 3.11Å; K254-S257 PolarHBondContact O-N 2.77Å; K254-S257 VanDerWaalsContact O-N 3.15Å; K254-S257 PolarHBondContact O-OG 3.28Å; K254-C258 PolarHBondContact O-N 3.26Å
255	C	96.5	Very high	96.2	Very high	37 Å²	37	63.2 Å²	63.2	25%	0.25	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-60.1	-33.1	-176.5	-65.7	0	0	0	0	112.1	P253 S257 C258 S261 A267	P253-C255 PolarHBondContact O-N 3.37Å; C255-S257 PolarHBondContact O-N 2.89Å; C255-C258 WeakPolarHBondContact O-CB 3.37Å; C255-C258 PolarHBondContact O-N 3.49Å; C255-C258 VanDerWaalsContact O-N 3.12Å; C255-S261 WeakPolarHBondContact O-CB 3.45Å; C255-A267 HydrophobicContact CB-CB 4.37Å
256	H	93.9	Very high	96.2	Very high	168 Å²	168	64 Å²	64	78%	0.778	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-60.9	-29.6	177.8	65.9	-92.5	0	0	0	113.5	K254	K254-H256 PolarHBondContact O-N 3.11Å
257	S	93.8	Very high	96.2	Very high	48 Å²	48	63.2 Å²	63.2	34%	0.336	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-104.4	8.5	178.3	67.9	0	0	0	0	112.8	K254 C255	K254-S257 PolarHBondContact O-N 2.77Å; K254-S257 VanDerWaalsContact O-N 3.15Å; K254-S257 PolarHBondContact O-OG 3.28Å; C255-S257 PolarHBondContact O-N 2.89Å
258	C	96.9	Very high	96.2	Very high	14 Å²	14	67.3 Å²	67.3	10%	0.095	35%	0.348	C	S	.	.			trans	-93.1	125.4	-176.3	-176.3	0	0	0	0	109.4	M60 I247 K254 C255 N260 S261	M60-C258 HydrophobicContact SD-CB 4.47Å; I247-C258 HydrophobicContact CG2-CB 3.94Å; K254-C258 PolarHBondContact O-N 3.26Å; C255-C258 WeakPolarHBondContact O-CB 3.37Å; C255-C258 PolarHBondContact O-N 3.49Å; C255-C258 VanDerWaalsContact O-N 3.12Å; C258-N260 PolarHBondContact O-N 3.25Å; C258-S261 VanDerWaalsContact O-CB 3.24Å; C258-S261 WeakPolarHBondContact O-CB 3.47Å; C258-S261 PolarHBondContact O-N 2.94Å; C258-S261 PolarHBondContact O-OG 3.3Å
259	L	97.3	Very high	96	Very high	98 Å²	98	70.9 Å²	70.9	51%	0.513	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-16.1	177.1	-62.1	-177.1	0	0	0	113.3	N56 A59 M60	N56-L259 HydrophobicContact CB-CB 3.83Å; N56-L259 PolarHBondContact ND2-O 3.44Å; A59-L259 HydrophobicContact CB-CD1 4.22Å; M60-L259 HydrophobicContact CE-CB 4.12Å; M60-L259 HydrophobicContact CG-CB 4.32Å; M60-L259 HydrophobicContact CG-CD1 3.79Å; M60-L259 HydrophobicContact CG-CG 3.74Å; M60-L259 HydrophobicContact SD-CB 4.12Å; M60-L259 HydrophobicContact SD-CG 4.04Å; M60-L259 PolarHBondContact SD-N 3.41Å; M60-L259 VanDerWaalsContact SD-N 3.36Å
260	N	97.6	Very high	95.7	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	6.9	176	-68.6	-30.6	0	0	0	114	M53 N56 I57 C258 D262 I263 C264	M53-N260 WeakPolarHBondContact CA-OD1 3.4Å; M53-N260 PolarHBondContact O-ND2 3.22Å; N56-N260 WeakPolarHBondContact CB-OD1 3.38Å; N56-N260 PolarHBondContact ND2-OD1 3.08Å; I57-N260 WeakPolarHBondContact CG1-ND2 3.14Å; C258-N260 PolarHBondContact O-N 3.25Å; N260-D262 PolarHBondContact O-N 2.9Å; N260-I263 HydrophobicContact CB-CG1 4.18Å; N260-I263 PolarHBondContact O-N 2.87Å; N260-I263 VanDerWaalsContact O-N 3.15Å; N260-C264 HydrophobicContact CB-CB 4.19Å; N260-C264 WeakPolarHBondContact O-CB 3.49Å; N260-C264 PolarHBondContact O-N 3.42Å
261	S	96	Very high	95.2	Very high	26 Å²	26	76.3 Å²	76.3	18%	0.182	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-30.1	-172.3	65.4	0	0	0	0	114.4	C255 C258 A267 R271	C255-S261 WeakPolarHBondContact O-CB 3.45Å; C258-S261 VanDerWaalsContact O-CB 3.24Å; C258-S261 WeakPolarHBondContact O-CB 3.47Å; C258-S261 PolarHBondContact O-N 2.94Å; C258-S261 PolarHBondContact O-OG 3.3Å; S261-A267 WeakPolarHBondContact O-CB 3.42Å; S261-R271 PolarHBondContact O-NH2 3.4Å
262	D	95.6	Very high	94.2	Very high	111 Å²	111	71.3 Å²	71.3	59%	0.594	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-18.5	179.8	-65.4	-52.9	0	0	0	113.9	N260 I268 R271	N260-D262 PolarHBondContact O-N 2.9Å; D262-I268 WeakPolarHBondContact O-CD1 3.4Å; D262-R271 IonicContact OD1-CZ 2.7Å; D262-R271 IonicContact OD1-NH1 3.42Å; D262-R271 PolarHBondContact OD1-NH1 2.65Å; D262-R271 IonicContact OD1-NH2 3.76Å; D262-R271 PolarHBondContact OD1-NH2 3.33Å
263	I	96.9	Very high	93.2	Very high	50 Å²	50	68.5 Å²	68.5	26%	0.256	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-18.5	-176.1	60.8	175.5	0	0	0	113.5	N49 P52 M53 N260	N49-I263 HydrophobicContact CB-CD1 4.41Å; P52-I263 HydrophobicContact CB-CD1 4.31Å; M53-I263 HydrophobicContact CB-CD1 4.47Å; M53-I263 VanDerWaalsContact CE-C 3.48Å; M53-I263 HydrophobicContact CE-CB 4.14Å; M53-I263 HydrophobicContact CE-CD1 4.42Å; M53-I263 HydrophobicContact CE-CG1 4.03Å; M53-I263 WeakPolarHBondContact CE-O 3.49Å; M53-I263 HydrophobicContact CG-CD1 3.52Å; M53-I263 HydrophobicContact CG-CG1 3.92Å; N260-I263 HydrophobicContact CB-CG1 4.18Å; N260-I263 PolarHBondContact O-N 2.87Å; N260-I263 VanDerWaalsContact O-N 3.15Å
264	C	97.3	Very high	91.5	Very high	11 Å²	11	76.8 Å²	76.8	7%	0.074	42%	0.415	C	S	.	.			trans	-76.4	122.5	-178.2	173.9	0	0	0	0	111.4	L207 N260 Y266 A267 I268	L207-C264 HydrophobicContact CD2-CB 4.45Å; N260-C264 HydrophobicContact CB-CB 4.19Å; N260-C264 WeakPolarHBondContact O-CB 3.49Å; N260-C264 PolarHBondContact O-N 3.42Å; C264-Y266 VanDerWaalsContact C-N 3.3Å; C264-Y266 PolarHBondContact O-N 2.82Å; C264-A267 HydrophobicContact CB-CB 3.87Å; C264-A267 PolarHBondContact O-N 3.3Å; C264-I268 WeakPolarHBondContact O-CG1 3.19Å; C264-I268 PolarHBondContact O-N 2.86Å
265	P	96	Very high	89.3	Confident	66 Å²	66	82.8 Å²	82.8	43%	0.429	44%	0.435	S	S	.	.	H	α-helix	trans	-55.8	-42.1	179.6	-26.3	34.1	0	0	0	113.4	S269	P265-S269 WeakPolarHBondContact O-CB 3.43Å; P265-S269 PolarHBondContact O-N 3.18Å; P265-S269 PolarHBondContact O-OG 3.2Å
266	Y	96.5	Very high	87.1	Confident	67 Å²	67	88.4 Å²	88.4	26%	0.263	46%	0.463	S	S	.	.	H	α-helix	trans	-64.2	-40.4	177	-178	-91.1	0	0	0	112.6	R206 P253 C264 S269 N270	R206-Y266 HydrophobicContact CB-CD2 4.34Å; R206-Y266 HydrophobicContact CB-CG 3.97Å; R206-Y266 HydrophobicContact CG-CD1 4.24Å; R206-Y266 HydrophobicContact CG-CD2 3.69Å; R206-Y266 HydrophobicContact CG-CE2 4.19Å; R206-Y266 HydrophobicContact CG-CG 3.71Å; R206-Y266 WeakPolarHBondContact O-CB 3.4Å; R206-Y266 PolarHBondContact O-N 3.37Å; P253-Y266 HydrophobicContact CG-CD1 4.47Å; P253-Y266 HydrophobicContact CG-CE1 3.64Å; C264-Y266 VanDerWaalsContact C-N 3.3Å; C264-Y266 PolarHBondContact O-N 2.82Å; Y266-S269 WeakPolarHBondContact CA-OG 3.34Å; Y266-S269 PolarHBondContact O-OG 3Å; Y266-N270 WeakPolarHBondContact O-CB 3.37Å; Y266-N270 PolarHBondContact O-N 3.05Å; Y266-N270 PolarHBondContact O-ND2 3.26Å
267	A	96	Very high	84.9	Confident	7 Å²	7	91.1 Å²	91.1	6%	0.058	48%	0.483	C	S	.	.	H	α-helix	trans	-68.6	-42.4	179.6	0	0	0	0	0	111.5	C255 S261 C264 N270 R271	C255-A267 HydrophobicContact CB-CB 4.37Å; S261-A267 WeakPolarHBondContact O-CB 3.42Å; C264-A267 HydrophobicContact CB-CB 3.87Å; C264-A267 PolarHBondContact O-N 3.3Å; A267-N270 PolarHBondContact O-N 3.02Å; A267-R271 PolarHBondContact O-N 2.76Å
268	I	95.3	Very high	84.5	Confident	90 Å²	90	93.3 Å²	93.3	46%	0.462	49%	0.49	S	S	.	.	H	α-helix	trans	-62.3	-48.3	178.6	-64.7	164.2	0	0	0	110.6	D262 C264 N270 R271	D262-I268 WeakPolarHBondContact O-CD1 3.4Å; C264-I268 WeakPolarHBondContact O-CG1 3.19Å; C264-I268 PolarHBondContact O-N 2.86Å; I268-N270 VanDerWaalsContact C-N 3.27Å; I268-N270 PolarHBondContact O-N 3.18Å; I268-R271 PolarHBondContact O-N 3.03Å
269	S	93.6	Very high	83.8	Confident	89 Å²	89	97.4 Å²	97.4	62%	0.622	51%	0.511	S	S	*	.	H	α-helix	trans	-66.5	-23.5	179.6	52.1	0	0	0	0	114.6	P265 Y266	P265-S269 WeakPolarHBondContact O-CB 3.43Å; P265-S269 PolarHBondContact O-N 3.18Å; P265-S269 PolarHBondContact O-OG 3.2Å; Y266-S269 WeakPolarHBondContact CA-OG 3.34Å; Y266-S269 PolarHBondContact O-OG 3Å
270	N	92.2	Very high	83.1	Confident	95 Å²	95	97.4 Å²	97.4	51%	0.508	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	15.8	-178.6	-69.9	-95.9	0	0	0	112.9	Y266 A267 I268	Y266-N270 WeakPolarHBondContact O-CB 3.37Å; Y266-N270 PolarHBondContact O-N 3.05Å; Y266-N270 PolarHBondContact O-ND2 3.26Å; A267-N270 PolarHBondContact O-N 3.02Å; I268-N270 VanDerWaalsContact C-N 3.27Å; I268-N270 PolarHBondContact O-N 3.18Å
271	R	84	Confident	82.2	Confident	130 Å²	130	103.1 Å²	103.1	49%	0.491	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-66.3	133.8	171.9	-88.5	-178.4	-161.6	-158.9	-2	109.7	S261 D262 A267 I268 A273	S261-R271 PolarHBondContact O-NH2 3.4Å; D262-R271 IonicContact OD1-CZ 2.7Å; D262-R271 IonicContact OD1-NH1 3.42Å; D262-R271 PolarHBondContact OD1-NH1 2.65Å; D262-R271 IonicContact OD1-NH2 3.76Å; D262-R271 PolarHBondContact OD1-NH2 3.33Å; A267-R271 PolarHBondContact O-N 2.76Å; I268-R271 PolarHBondContact O-N 3.03Å; R271-A273 PolarHBondContact O-N 3.26Å
272	P	75.6	Confident	81.4	Confident	118 Å²	118	107.9 Å²	107.9	77%	0.766	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-59.3	132.8	167	24	-29.4	0	0	0	108.3	K274	P272-K274 PolarHBondContact O-N 3.32Å
273	A	72.4	Confident	80.4	Confident	92 Å²	92	107.7 Å²	107.7	76%	0.76	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-52	130.4	172.4	0	0	0	0	0	108	R271 R275	R271-A273 PolarHBondContact O-N 3.26Å; A273-R275 PolarHBondContact O-N 2.97Å
274	K	61.3	Low	79.2	Confident	195 Å²	195	111.9 Å²	111.9	85%	0.848	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-51.7	116.9	173.2	-82	-176.1	174.3	-177.2	0	106.8	P272 N276	P272-K274 PolarHBondContact O-N 3.32Å; K274-N276 PolarHBondContact O-N 3.16Å; K274-N276 VanDerWaalsContact O-N 3.11Å
275	R	50.8	Low	77.9	Confident	227 Å²	227	119.6 Å²	119.6	86%	0.857	62%	0.622	S	S	*	*			trans	-63.2	113.3	162.5	-79.3	-177.2	174.6	-175.3	-2.9	104.7	A273 D277	A273-R275 PolarHBondContact O-N 2.97Å; R275-D277 PolarHBondContact O-N 3.11Å; R275-D277 VanDerWaalsContact O-N 3.16Å
276	N	50.5	Low	76.3	Confident	155 Å²	155	124.1 Å²	124.1	83%	0.829	64%	0.638	S	S	*	*			trans	-69.5	105.5	164.2	-75	-12.9	0	0	0	104.9	K274	K274-N276 PolarHBondContact O-N 3.16Å; K274-N276 VanDerWaalsContact O-N 3.11Å
277	D	48	Very low	74.5	Confident	224 Å²	224	129.3 Å²	129.3	100%	1.198	67%	0.673	S	S	*	*			trans	-68.9	0	161.8	-71.2	-29.7	0	0	0	109.9	R275	R275-D277 PolarHBondContact O-N 3.11Å; R275-D277 VanDerWaalsContact O-N 3.16Å

Retrieved 277 of 277 residues in 354.8 ms (Link to these results)

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