G4VEC4_SCHMA Loading...

Putative tumor necrosis factor induced protein

AlphaFold DB , UniProt , Accession G4VEC4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 208 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.5	Very low	39.2	Very low	237 Å²	237	151.5 Å²	151.5	100%	1.167	82%	0.823	S	S	*	*				0	106.2	0	-79.3	179.5	162.7	0	0	108.4
2	T	40	Very low	39.2	Very low	154 Å²	154	152.9 Å²	152.9	95%	0.945	82%	0.821	S	S	*	*			trans	-154.9	109.2	159.8	7.5	0	0	0	0	106.6
3	N	34.5	Very low	39	Very low	164 Å²	164	150 Å²	150	88%	0.877	81%	0.812	S	S	*	*			trans	-99	157.1	-178.2	-128	-24.8	0	0	0	108.7
4	K	37.6	Very low	39.4	Very low	195 Å²	195	147.4 Å²	147.4	85%	0.848	81%	0.807	S	S	*	*			trans	85.2	153.8	168.8	-84.9	-177.3	171.8	-178.4	0	119.2
5	P	44	Very low	39.7	Very low	105 Å²	105	150.1 Å²	150.1	68%	0.682	81%	0.811	S	S	*	*			cis	-128.5	152.9	-13.3	26.6	-5.6	0	0	0	114.7
6	I	37.9	Very low	40.2	Very low	173 Å²	173	149.3 Å²	149.3	89%	0.887	81%	0.806	S	S	*	*			trans	-88	127	165.7	-64.3	164.8	0	0	0	107.3
7	T	41.8	Very low	40.6	Very low	124 Å²	124	146.6 Å²	146.6	76%	0.761	80%	0.802	S	S	*	*			trans	-123.2	140.6	171.5	-55.5	0	0	0	0	108.8
8	P	36.4	Very low	41.2	Very low	106 Å²	106	144.7 Å²	144.7	69%	0.688	80%	0.795	S	S	*	*			trans	-102.2	160.3	-144.9	37.5	-32.3	0	0	0	115.7
9	Q	35.2	Very low	42.2	Very low	176 Å²	176	146.7 Å²	146.7	82%	0.822	80%	0.798	S	S	*	*			trans	15.5	114.5	149	-64.7	-172.3	-27.6	0	0	118.5
10	N	38.6	Very low	43.2	Very low	147 Å²	147	148.7 Å²	148.7	79%	0.786	80%	0.802	S	S	*	*			trans	-111.3	74	151.8	-156.6	24.9	0	0	0	108.1	Q12	N10-Q12 PolarHBondContact O-N 3.43Å
11	S	41.1	Very low	44.7	Very low	85 Å²	85	149.1 Å²	149.1	59%	0.594	80%	0.797	S	S	*	*			trans	-81.1	96.1	165.8	38	0	0	0	0	107.3	T13	S11-T13 PolarHBondContact O-N 3.1Å
12	Q	38.5	Very low	46.4	Very low	169 Å²	169	141.1 Å²	141.1	79%	0.79	76%	0.759	S	S	*	*			trans	-66.7	96.9	170.5	-71.3	178.2	-31.2	0	0	108.3	N10	N10-Q12 PolarHBondContact O-N 3.43Å
13	T	37.6	Very low	48.1	Very low	115 Å²	115	137.3 Å²	137.3	71%	0.706	74%	0.737	S	S	*	*			trans	-62.6	132.5	163.5	-46	0	0	0	0	107.5	S11 E15	S11-T13 PolarHBondContact O-N 3.1Å; T13-E15 PolarHBondContact O-N 2.87Å
14	P	44.5	Very low	50	Low	114 Å²	114	136.1 Å²	136.1	74%	0.74	73%	0.726	S	S	*	*			trans	-61.2	126	177	-8.8	22.2	0	0	0	107.5	D16	P14-D16 PolarHBondContact O-N 3.23Å
15	E	42.8	Very low	51.7	Low	187 Å²	187	128.6 Å²	128.6	87%	0.874	70%	0.698	S	S	*	*			trans	-57.7	95.6	167.2	-71.9	176.8	164.8	0	0	107	T13 S17	T13-E15 PolarHBondContact O-N 2.87Å; E15-S17 PolarHBondContact O-N 3.2Å
16	D	47.7	Very low	53.1	Low	137 Å²	137	127.5 Å²	127.5	73%	0.733	69%	0.686	S	S	*	*			trans	-59.8	95.7	165.8	-164.9	16.1	0	0	0	104.7	P14 T18	P14-D16 PolarHBondContact O-N 3.23Å; D16-T18 PolarHBondContact O-N 3.18Å
17	S	47.3	Very low	54.7	Low	104 Å²	104	121.6 Å²	121.6	73%	0.727	66%	0.66	S	S	*	*			trans	-67.5	78.5	170.7	39	0	0	0	0	105.6	E15 E19	E15-S17 PolarHBondContact O-N 3.2Å; S17-E19 PolarHBondContact O-N 3.31Å
18	T	52.1	Low	56.1	Low	112 Å²	112	120.1 Å²	120.1	69%	0.687	65%	0.646	S	S	*	*			trans	-56.6	92.9	164.4	36.7	0	0	0	0	105.7	D16 Q20	D16-T18 PolarHBondContact O-N 3.18Å; T18-Q20 PolarHBondContact O-N 2.99Å
19	E	59	Low	57.3	Low	183 Å²	183	123.3 Å²	123.3	86%	0.855	65%	0.645	S	S	*	*			trans	-47.3	112.4	161.8	-81	-173	158.5	0	0	105.4	S17 F21	S17-E19 PolarHBondContact O-N 3.31Å; E19-F21 PolarHBondContact O-N 2.69Å
20	Q	63.7	Low	58.5	Low	187 Å²	187	117.2 Å²	117.2	87%	0.874	62%	0.624	S	S	*	*			trans	-59.3	102.7	-175	-171.7	174.9	-0	0	0	107.3	T18 D22	T18-Q20 PolarHBondContact O-N 2.99Å; Q20-D22 PolarHBondContact O-N 3.42Å
21	F	74.1	Confident	59.4	Low	158 Å²	158	115.8 Å²	115.8	69%	0.693	61%	0.613	S	S	*	*			trans	-61.7	103.4	178.7	176	-99.7	0	0	0	107.9	E19 P23 I26	E19-F21 PolarHBondContact O-N 2.69Å; F21-P23 HydrophobicContact CE1-CB 4.06Å; F21-P23 HydrophobicContact CE1-CG 4.32Å; F21-P23 WeakPolarHBondContact O-CD 3.33Å; F21-I26 HydrophobicContact CD2-CD1 3.99Å; F21-I26 HydrophobicContact CE2-CD1 3.4Å; F21-I26 HydrophobicContact CZ-CD1 3.89Å
22	D	79.4	Confident	59.9	Low	68 Å²	68	118.5 Å²	118.5	36%	0.364	61%	0.614	S	S	.	*			trans	-100.1	94.8	178.3	177.3	19.5	0	0	0	110.4	Q20 Q24 S25 I26	Q20-D22 PolarHBondContact O-N 3.42Å; D22-Q24 PolarHBondContact O-N 2.94Å; D22-Q24 VanDerWaalsContact OD1-CB 3.28Å; D22-Q24 WeakPolarHBondContact OD1-CB 3.07Å; D22-Q24 PolarHBondContact OD1-N 2.77Å; D22-S25 PolarHBondContact O-N 2.81Å; D22-S25 PolarHBondContact O-OG 2.77Å; D22-S25 VanDerWaalsContact OD2-CB 3.25Å; D22-S25 WeakPolarHBondContact OD2-CB 3.44Å; D22-S25 PolarHBondContact OD2-N 3.13Å; D22-S25 VanDerWaalsContact OD2-N 3.1Å; D22-I26 PolarHBondContact O-N 3.38Å
23	P	75.4	Confident	60.3	Low	75 Å²	75	118.6 Å²	118.6	49%	0.487	61%	0.612	S	S	.	*	H	α-helix	trans	-62	-21.7	176.9	24.9	-33.3	0	0	0	112.8	F21 S27	F21-P23 HydrophobicContact CE1-CB 4.06Å; F21-P23 HydrophobicContact CE1-CG 4.32Å; F21-P23 WeakPolarHBondContact O-CD 3.33Å; P23-S27 VanDerWaalsContact O-CB 3.31Å; P23-S27 WeakPolarHBondContact O-CB 3.48Å; P23-S27 PolarHBondContact O-N 2.72Å; P23-S27 PolarHBondContact O-OG 2.88Å
24	Q	75.9	Confident	60.9	Low	138 Å²	138	120 Å²	120	65%	0.645	62%	0.615	S	S	*	*	H	α-helix	trans	-67.9	-47.1	174.6	-65.7	-171.4	-31.3	0	0	110.8	D22 I26 S27 L28	D22-Q24 PolarHBondContact O-N 2.94Å; D22-Q24 VanDerWaalsContact OD1-CB 3.28Å; D22-Q24 WeakPolarHBondContact OD1-CB 3.07Å; D22-Q24 PolarHBondContact OD1-N 2.77Å; Q24-I26 VanDerWaalsContact C-N 3.3Å; Q24-I26 PolarHBondContact O-N 2.93Å; Q24-S27 PolarHBondContact O-N 3.44Å; Q24-S27 PolarHBondContact O-OG 2.7Å; Q24-L28 WeakPolarHBondContact O-CB 3.37Å; Q24-L28 PolarHBondContact O-N 3.45Å
25	S	72.4	Confident	61.1	Low	38 Å²	38	119.9 Å²	119.9	27%	0.266	61%	0.611	S	S	.	*	H	α-helix	trans	-59.4	-38.8	175.3	74.7	0	0	0	0	113	D22 R29	D22-S25 PolarHBondContact O-N 2.81Å; D22-S25 PolarHBondContact O-OG 2.77Å; D22-S25 VanDerWaalsContact OD2-CB 3.25Å; D22-S25 WeakPolarHBondContact OD2-CB 3.44Å; D22-S25 PolarHBondContact OD2-N 3.13Å; D22-S25 VanDerWaalsContact OD2-N 3.1Å; S25-R29 WeakPolarHBondContact O-CB 3.5Å; S25-R29 WeakPolarHBondContact O-CG 3.47Å; S25-R29 PolarHBondContact O-N 2.81Å
26	I	74.4	Confident	61.3	Low	82 Å²	82	112.2 Å²	112.2	42%	0.421	58%	0.582	S	S	.	*	H	α-helix	trans	-69	-45.9	178.5	-64.2	166.1	0	0	0	110.2	F21 D22 Q24 R29 A30	F21-I26 HydrophobicContact CD2-CD1 3.99Å; F21-I26 HydrophobicContact CE2-CD1 3.4Å; F21-I26 HydrophobicContact CZ-CD1 3.89Å; D22-I26 PolarHBondContact O-N 3.38Å; Q24-I26 VanDerWaalsContact C-N 3.3Å; Q24-I26 PolarHBondContact O-N 2.93Å; I26-R29 PolarHBondContact O-N 3.36Å; I26-A30 WeakPolarHBondContact O-CB 3.22Å; I26-A30 PolarHBondContact O-N 2.86Å
27	S	71.6	Confident	61.4	Low	49 Å²	49	109 Å²	109	34%	0.343	57%	0.571	S	S	.	*	H	α-helix	trans	-65.1	-40	177.6	71.4	0	0	0	0	112.1	P23 Q24 A30 Q31	P23-S27 VanDerWaalsContact O-CB 3.31Å; P23-S27 WeakPolarHBondContact O-CB 3.48Å; P23-S27 PolarHBondContact O-N 2.72Å; P23-S27 PolarHBondContact O-OG 2.88Å; Q24-S27 PolarHBondContact O-N 3.44Å; Q24-S27 PolarHBondContact O-OG 2.7Å; S27-A30 PolarHBondContact O-N 2.97Å; S27-Q31 VanDerWaalsContact O-CB 3.27Å; S27-Q31 WeakPolarHBondContact O-CB 3.46Å; S27-Q31 WeakPolarHBondContact O-CG 3.43Å; S27-Q31 PolarHBondContact O-N 3.35Å
28	L	69.7	Low	61.8	Low	92 Å²	92	104.8 Å²	104.8	48%	0.482	54%	0.54	S	S	.	.	H	α-helix	trans	-64.7	-40.5	173.5	-88.2	159.5	0	0	0	111.8	Q24 K32	Q24-L28 WeakPolarHBondContact O-CB 3.37Å; Q24-L28 PolarHBondContact O-N 3.45Å; L28-K32 WeakPolarHBondContact O-CB 3.34Å; L28-K32 WeakPolarHBondContact O-CG 3.45Å; L28-K32 PolarHBondContact O-N 3.21Å
29	R	63.4	Low	62	Low	174 Å²	174	102.1 Å²	102.1	66%	0.657	52%	0.524	S	S	*	.	H	α-helix	trans	-66.6	-39.8	174	-75.9	172.8	-175.5	178.2	3.6	111.9	S25 I26 K33	S25-R29 WeakPolarHBondContact O-CB 3.5Å; S25-R29 WeakPolarHBondContact O-CG 3.47Å; S25-R29 PolarHBondContact O-N 2.81Å; I26-R29 PolarHBondContact O-N 3.36Å; R29-K33 WeakPolarHBondContact O-CB 3.3Å; R29-K33 WeakPolarHBondContact O-CG 3.29Å; R29-K33 PolarHBondContact O-N 2.81Å
30	A	58.6	Low	62.4	Low	47 Å²	47	100.3 Å²	100.3	39%	0.388	51%	0.514	S	S	.	.	H	α-helix	trans	-68.7	-43.8	176.8	0	0	0	0	0	111.6	I26 S27 K33 L34	I26-A30 WeakPolarHBondContact O-CB 3.22Å; I26-A30 PolarHBondContact O-N 2.86Å; S27-A30 PolarHBondContact O-N 2.97Å; A30-K33 PolarHBondContact O-N 3.14Å; A30-L34 WeakPolarHBondContact O-CB 3.4Å; A30-L34 VanDerWaalsContact O-CG 3.31Å; A30-L34 WeakPolarHBondContact O-CG 3.37Å; A30-L34 PolarHBondContact O-N 3.39Å
31	Q	58.2	Low	62.9	Low	117 Å²	117	91.9 Å²	91.9	55%	0.547	48%	0.477	S	S	.	.	H	α-helix	trans	-62.2	-45.7	172.7	-73.8	173.2	16	0	0	110.5	S27 K33 L34 V35	S27-Q31 VanDerWaalsContact O-CB 3.27Å; S27-Q31 WeakPolarHBondContact O-CB 3.46Å; S27-Q31 WeakPolarHBondContact O-CG 3.43Å; S27-Q31 PolarHBondContact O-N 3.35Å; Q31-K33 VanDerWaalsContact C-N 3.3Å; Q31-K33 PolarHBondContact O-N 3Å; Q31-L34 PolarHBondContact O-N 3Å; Q31-V35 VanDerWaalsContact O-CB 3.22Å; Q31-V35 WeakPolarHBondContact O-CB 3.4Å; Q31-V35 WeakPolarHBondContact O-CG2 3.44Å; Q31-V35 PolarHBondContact O-N 2.89Å
32	K	51	Low	63.2	Low	142 Å²	142	84.4 Å²	84.4	62%	0.617	45%	0.445	S	S	*	.	H	α-helix	trans	-63.2	-30.8	173	-76.7	177.4	177.6	-171.6	0	113.2	L28 G36	L28-K32 WeakPolarHBondContact O-CB 3.34Å; L28-K32 WeakPolarHBondContact O-CG 3.45Å; L28-K32 PolarHBondContact O-N 3.21Å; K32-G36 WeakPolarHBondContact O-CA 3.21Å; K32-G36 PolarHBondContact O-N 3.03Å
33	K	48	Very low	63.4	Low	172 Å²	172	83.6 Å²	83.6	75%	0.748	44%	0.44	S	S	*	.	H	α-helix	trans	-74.9	-36.4	172.9	-87.8	-173.7	171.7	-173.4	0	112.8	R29 A30 Q31 G36 S37	R29-K33 WeakPolarHBondContact O-CB 3.3Å; R29-K33 WeakPolarHBondContact O-CG 3.29Å; R29-K33 PolarHBondContact O-N 2.81Å; A30-K33 PolarHBondContact O-N 3.14Å; Q31-K33 VanDerWaalsContact C-N 3.3Å; Q31-K33 PolarHBondContact O-N 3Å; K33-G36 CarbonylContact O-C 3.26Å; K33-G36 PolarHBondContact O-N 3.39Å; K33-S37 PolarHBondContact O-N 3.31Å
34	L	48.9	Very low	63.8	Low	145 Å²	145	85.4 Å²	85.4	76%	0.759	44%	0.44	S	S	*	.	H	α-helix	trans	-74.1	-34.4	175.8	-70.1	172.1	0	0	0	111.9	A30 Q31	A30-L34 WeakPolarHBondContact O-CB 3.4Å; A30-L34 VanDerWaalsContact O-CG 3.31Å; A30-L34 WeakPolarHBondContact O-CG 3.37Å; A30-L34 PolarHBondContact O-N 3.39Å; Q31-L34 PolarHBondContact O-N 3Å
35	V	50.2	Low	64.2	Low	110 Å²	110	79.2 Å²	79.2	67%	0.667	41%	0.411	S	S	*	.	H	α-helix	trans	-74.9	-28.5	167.9	173.5	0	0	0	0	111.2	Q31	Q31-V35 VanDerWaalsContact O-CB 3.22Å; Q31-V35 WeakPolarHBondContact O-CB 3.4Å; Q31-V35 WeakPolarHBondContact O-CG2 3.44Å; Q31-V35 PolarHBondContact O-N 2.89Å
36	G	45.3	Very low	64.7	Low	26 Å²	26	79.1 Å²	79.1	27%	0.268	41%	0.406	S	S	.	.	H	α-helix	trans	-90.1	-4.7	-175.8	0	0	0	0	0	114.8	K32 K33 L38	K32-G36 WeakPolarHBondContact O-CA 3.21Å; K32-G36 PolarHBondContact O-N 3.03Å; K33-G36 CarbonylContact O-C 3.26Å; K33-G36 PolarHBondContact O-N 3.39Å; G36-L38 PolarHBondContact O-N 2.92Å
37	S	51.6	Low	65.2	Low	70 Å²	70	80.9 Å²	80.9	49%	0.49	42%	0.416	S	S	.	.	S	Bend	trans	-58.1	100.7	147.6	155.2	0	0	0	0	104.5	K33	K33-S37 PolarHBondContact O-N 3.31Å
38	L	54	Low	66	Low	15 Å²	15	79.9 Å²	79.9	8%	0.079	41%	0.406	C	S	.	.			trans	-27.3	131.5	171.2	-159.6	88.2	0	0	0	109.7	G36 K40 I42 I43 I90 L100 Y104	G36-L38 PolarHBondContact O-N 2.92Å; L38-K40 PolarHBondContact O-N 3.07Å; L38-I42 HydrophobicContact CD1-CD1 4.13Å; L38-I42 HydrophobicContact CD2-CB 3.81Å; L38-I42 HydrophobicContact CD2-CG2 4.29Å; L38-I42 HydrophobicContact CG-CB 4.24Å; L38-I42 HydrophobicContact CG-CD1 4.28Å; L38-I43 HydrophobicContact CD2-CB 4.32Å; L38-I43 HydrophobicContact CD2-CD1 3.43Å; L38-I43 VanDerWaalsContact CD2-CD1 3.43Å; L38-I43 HydrophobicContact CD2-CG1 3.42Å; L38-I43 VanDerWaalsContact CD2-CG1 3.42Å; L38-I90 HydrophobicContact CD1-CB 4.47Å; L38-I90 HydrophobicContact CD1-CG2 3.25Å; L38-I90 HydrophobicContact CD2-CG2 3.16Å; L38-I90 HydrophobicContact CG-CG2 3.76Å; L38-L100 HydrophobicContact CD1-CD1 3.55Å; L38-Y104 HydrophobicContact CD1-CE1 3.83Å; L38-Y104 HydrophobicContact CG-CE1 4.34Å
39	P	57.9	Low	67	Low	56 Å²	56	81.3 Å²	81.3	36%	0.364	42%	0.415	S	S	.	.			trans	-50.2	118.1	168.7	-18.6	27.3	0	0	0	104.1	G41 I42 Y104	P39-G41 CarbonylContact O-C 3.51Å; P39-G41 WeakPolarHBondContact O-CA 3.48Å; P39-G41 PolarHBondContact O-N 3.18Å; P39-I42 PolarHBondContact O-N 2.85Å; P39-Y104 HydrophobicContact CG-CD1 4.23Å; P39-Y104 HydrophobicContact CG-CE1 4.06Å
40	K	66.9	Low	68.4	Low	145 Å²	145	73 Å²	73	63%	0.63	38%	0.383	S	S	*	.	H	α-helix	trans	-49.8	-22.7	175.9	-64.6	177.5	179.6	176.1	0	109.1	L38 I43 K44	L38-K40 PolarHBondContact O-N 3.07Å; K40-I43 PolarHBondContact O-N 3.23Å; K40-K44 HydrophobicContact CB-CD 4.19Å; K40-K44 WeakPolarHBondContact O-CB 3.48Å; K40-K44 WeakPolarHBondContact O-CD 3.36Å; K40-K44 WeakPolarHBondContact O-CG 3.28Å; K40-K44 PolarHBondContact O-N 2.75Å
41	G	75.1	Confident	69.9	Low	11 Å²	11	71.1 Å²	71.1	11%	0.113	37%	0.367	C	S	.	.	H	α-helix	trans	-34.4	-61.4	159.7	0	0	0	0	0	116	P39 I43 K44 L45	P39-G41 CarbonylContact O-C 3.51Å; P39-G41 WeakPolarHBondContact O-CA 3.48Å; P39-G41 PolarHBondContact O-N 3.18Å; G41-I43 PolarHBondContact O-N 2.96Å; G41-K44 CarbonylContact O-C 3.49Å; G41-K44 PolarHBondContact O-N 3.23Å; G41-K44 VanDerWaalsContact O-N 3.16Å; G41-L45 VanDerWaalsContact O-CB 3.28Å; G41-L45 WeakPolarHBondContact O-CB 3.49Å; G41-L45 PolarHBondContact O-N 2.87Å
42	I	79.9	Confident	71.6	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.005	37%	0.366	C	S	.	.	H	α-helix	trans	-59.7	-48.1	-176.5	-63.3	178.8	0	0	0	111.4	L38 P39 K44 L45 F46 I90 Y104 H107	L38-I42 HydrophobicContact CD1-CD1 4.13Å; L38-I42 HydrophobicContact CD2-CB 3.81Å; L38-I42 HydrophobicContact CD2-CG2 4.29Å; L38-I42 HydrophobicContact CG-CB 4.24Å; L38-I42 HydrophobicContact CG-CD1 4.28Å; P39-I42 PolarHBondContact O-N 2.85Å; I42-K44 VanDerWaalsContact C-N 3.35Å; I42-L45 PolarHBondContact O-N 3.44Å; I42-F46 HydrophobicContact CG2-CD2 4.16Å; I42-F46 HydrophobicContact CG2-CE2 4.14Å; I42-F46 VanDerWaalsContact O-CD2 3.3Å; I42-F46 WeakPolarHBondContact O-CD2 3.25Å; I42-F46 PolarHBondContact O-N 3.08Å; I42-I90 HydrophobicContact CG2-CD1 4.06Å; I42-Y104 HydrophobicContact CD1-CD1 3.82Å; I42-Y104 HydrophobicContact CD1-CE1 4.23Å; I42-H107 HydrophobicContact CD1-CB 3.66Å; I42-H107 HydrophobicContact CG1-CB 3.55Å
43	I	82.5	Confident	73.7	Confident	50 Å²	50	66.9 Å²	66.9	26%	0.256	36%	0.356	S	S	.	.	H	α-helix	trans	-62.3	-45.5	177.6	-75.1	161.2	0	0	0	110.5	L38 K40 G41 F46 L47 L87 I90	L38-I43 HydrophobicContact CD2-CB 4.32Å; L38-I43 HydrophobicContact CD2-CD1 3.43Å; L38-I43 VanDerWaalsContact CD2-CD1 3.43Å; L38-I43 HydrophobicContact CD2-CG1 3.42Å; L38-I43 VanDerWaalsContact CD2-CG1 3.42Å; K40-I43 PolarHBondContact O-N 3.23Å; G41-I43 PolarHBondContact O-N 2.96Å; I43-F46 PolarHBondContact O-N 3.35Å; I43-L47 HydrophobicContact CG2-CD1 3.65Å; I43-L47 HydrophobicContact CG2-CG 4.42Å; I43-L47 WeakPolarHBondContact O-CB 3.28Å; I43-L47 WeakPolarHBondContact O-CG 3.39Å; I43-L47 PolarHBondContact O-N 2.88Å; I43-L87 HydrophobicContact CB-CD1 3.98Å; I43-L87 HydrophobicContact CG1-CD1 3.63Å; I43-L87 HydrophobicContact CG2-CD1 4.14Å; I43-I90 HydrophobicContact CG1-CG2 4.48Å
44	K	84	Confident	76	Confident	114 Å²	114	60.1 Å²	60.1	50%	0.496	33%	0.327	S	S	.	.	H	α-helix	trans	-63.9	-43.7	179.9	-75.2	171.6	177.3	-173	0	111.7	K40 G41 I42 F46 L47 D48 L207	K40-K44 HydrophobicContact CB-CD 4.19Å; K40-K44 WeakPolarHBondContact O-CB 3.48Å; K40-K44 WeakPolarHBondContact O-CD 3.36Å; K40-K44 WeakPolarHBondContact O-CG 3.28Å; K40-K44 PolarHBondContact O-N 2.75Å; G41-K44 CarbonylContact O-C 3.49Å; G41-K44 PolarHBondContact O-N 3.23Å; G41-K44 VanDerWaalsContact O-N 3.16Å; I42-K44 VanDerWaalsContact C-N 3.35Å; K44-F46 VanDerWaalsContact C-N 3.3Å; K44-F46 PolarHBondContact O-N 2.99Å; K44-L47 PolarHBondContact O-N 3.4Å; K44-D48 WeakPolarHBondContact O-CB 3.34Å; K44-D48 PolarHBondContact O-N 2.88Å; K44-L207 HydrophobicContact CB-CD2 3.77Å
45	L	84.1	Confident	78.3	Confident	7 Å²	7	54.9 Å²	54.9	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-52.1	-52.2	178.4	178.7	64.2	0	0	0	109.5	G41 I42 D48 S51 M202 L207 F208	G41-L45 VanDerWaalsContact O-CB 3.28Å; G41-L45 WeakPolarHBondContact O-CB 3.49Å; G41-L45 PolarHBondContact O-N 2.87Å; I42-L45 PolarHBondContact O-N 3.44Å; L45-D48 PolarHBondContact O-N 3.48Å; L45-S51 VanDerWaalsContact O-CB 3.27Å; L45-S51 WeakPolarHBondContact O-CB 3.26Å; L45-S51 PolarHBondContact O-OG 3.42Å; L45-M202 HydrophobicContact CD1-CG 4.35Å; L45-M202 HydrophobicContact CD1-SD 3.83Å; L45-L207 HydrophobicContact CB-CB 4.42Å; L45-L207 HydrophobicContact CD1-CB 3.96Å; L45-F208 HydrophobicContact CD1-CD1 4.2Å; L45-F208 HydrophobicContact CD1-CE1 3.92Å; L45-F208 HydrophobicContact CD1-CZ 4.31Å; L45-F208 HydrophobicContact CD2-CD1 4.21Å; L45-F208 HydrophobicContact CD2-CE1 4.23Å
46	F	83.4	Confident	80.5	Confident	36 Å²	36	53.6 Å²	53.6	16%	0.158	29%	0.285	C	S	.	.	H	α-helix	trans	-77	-26.3	-176.5	-73.3	-59.3	0	0	0	115.6	I42 I43 K44 D48 N83 L87 F106	I42-F46 HydrophobicContact CG2-CD2 4.16Å; I42-F46 HydrophobicContact CG2-CE2 4.14Å; I42-F46 VanDerWaalsContact O-CD2 3.3Å; I42-F46 WeakPolarHBondContact O-CD2 3.25Å; I42-F46 PolarHBondContact O-N 3.08Å; I43-F46 PolarHBondContact O-N 3.35Å; K44-F46 VanDerWaalsContact C-N 3.3Å; K44-F46 PolarHBondContact O-N 2.99Å; F46-D48 VanDerWaalsContact C-N 3.33Å; F46-N83 HydrophobicContact CD1-CB 3.93Å; F46-N83 HydrophobicContact CE1-CB 3.59Å; F46-N83 VanDerWaalsContact CE1-CG 3.41Å; F46-N83 WeakPolarHBondContact CE1-OD1 3.38Å; F46-N83 HydrophobicContact CZ-CB 4.08Å; F46-N83 WeakPolarHBondContact CZ-OD1 3.31Å; F46-L87 HydrophobicContact CB-CD1 4.43Å; F46-L87 HydrophobicContact CB-CD2 4.08Å; F46-F106 AromaticContact CE2-CE1 3.79Å; F46-F106 HydrophobicContact CE2-CE1 3.79Å; F46-F106 AromaticContact CZ-CE1 3.42Å; F46-F106 HydrophobicContact CZ-CE1 3.42Å; F46-F106 VanDerWaalsContact CZ-CE1 3.42Å; F46-F106 AromaticContact CZ-CZ 3.76Å; F46-F106 HydrophobicContact CZ-CZ 3.76Å
47	L	85.2	Confident	83	Confident	120 Å²	120	53 Å²	53	63%	0.628	28%	0.276	S	S	*	.	H	α-helix	trans	-85.7	-6.7	176.4	-69.2	179	0	0	0	113.2	I43 K44 L87	I43-L47 HydrophobicContact CG2-CD1 3.65Å; I43-L47 HydrophobicContact CG2-CG 4.42Å; I43-L47 WeakPolarHBondContact O-CB 3.28Å; I43-L47 WeakPolarHBondContact O-CG 3.39Å; I43-L47 PolarHBondContact O-N 2.88Å; K44-L47 PolarHBondContact O-N 3.4Å; L47-L87 HydrophobicContact CD2-CD2 3.63Å; L47-L87 HydrophobicContact CG-CD2 3.84Å
48	D	88.5	Confident	85.2	Confident	27 Å²	27	50.3 Å²	50.3	14%	0.144	26%	0.256	C	S	.	.	S	Bend	trans	-76.4	144.3	-177.7	-157.2	79.2	0	0	0	113.3	K44 L45 F46 S50 S51 A52 R205 L207	K44-D48 WeakPolarHBondContact O-CB 3.34Å; K44-D48 PolarHBondContact O-N 2.88Å; L45-D48 PolarHBondContact O-N 3.48Å; F46-D48 VanDerWaalsContact C-N 3.33Å; D48-S50 PolarHBondContact O-N 3.43Å; D48-S50 VanDerWaalsContact OD2-CB 3.23Å; D48-S50 WeakPolarHBondContact OD2-CB 3.48Å; D48-S50 PolarHBondContact OD2-N 3.18Å; D48-S50 PolarHBondContact OD2-OG 3.25Å; D48-S51 WeakPolarHBondContact O-CB 3.43Å; D48-S51 PolarHBondContact O-N 2.79Å; D48-A52 PolarHBondContact O-N 3.28Å; D48-R205 VanDerWaalsContact CG-NH1 3.29Å; D48-R205 IonicContact OD1-CZ 2.72Å; D48-R205 VanDerWaalsContact OD1-CZ 3.3Å; D48-R205 IonicContact OD1-NH1 2.75Å; D48-R205 PolarHBondContact OD1-NH1 2.8Å; D48-R205 VanDerWaalsContact OD1-NH1 3.17Å; D48-R205 IonicContact OD1-NH2 2.89Å; D48-R205 PolarHBondContact OD1-NH2 2.73Å; D48-R205 IonicContact OD2-CZ 3.13Å; D48-R205 IonicContact OD2-NH1 2.81Å; D48-R205 PolarHBondContact OD2-NH1 2.93Å; D48-R205 IonicContact OD2-NH2 3.28Å; D48-L207 HydrophobicContact CB-CD1 3.8Å
49	D	90.4	Very high	87.3	Confident	123 Å²	123	51 Å²	51	66%	0.658	26%	0.258	S	S	*	.	H	α-helix	trans	-59.8	-31.3	175.2	-73.4	-27.1	0	0	0	112.4	S51 A52 R53	D49-S51 VanDerWaalsContact C-N 3.25Å; D49-S51 PolarHBondContact O-N 2.89Å; D49-A52 PolarHBondContact O-N 3.41Å; D49-R53 WeakPolarHBondContact O-CG 3.42Å; D49-R53 PolarHBondContact O-N 3.07Å; D49-R53 VanDerWaalsContact O-N 3.09Å
50	S	92.1	Very high	89.2	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.3	-35.2	174.3	59.9	0	0	0	0	112	D48 R53 L54 M202	D48-S50 PolarHBondContact O-N 3.43Å; D48-S50 VanDerWaalsContact OD2-CB 3.23Å; D48-S50 WeakPolarHBondContact OD2-CB 3.48Å; D48-S50 PolarHBondContact OD2-N 3.18Å; D48-S50 PolarHBondContact OD2-OG 3.25Å; S50-R53 PolarHBondContact O-N 3.25Å; S50-L54 WeakPolarHBondContact O-CB 3.29Å; S50-L54 PolarHBondContact O-N 3.04Å; S50-M202 WeakPolarHBondContact O-CE 3.37Å; S50-M202 WeakPolarHBondContact OG-CE 3.37Å; S50-M202 VanDerWaalsContact OG-CG 3.25Å; S50-M202 WeakPolarHBondContact OG-CG 3.31Å
51	S	91.5	Very high	90.7	Very high	6 Å²	6	46.3 Å²	46.3	4%	0.042	23%	0.23	C	C	.	.	H	α-helix	trans	-68.2	-39	176.8	-80.3	0	0	0	0	112	L45 D48 D49 L54 F55 M202	L45-S51 VanDerWaalsContact O-CB 3.27Å; L45-S51 WeakPolarHBondContact O-CB 3.26Å; L45-S51 PolarHBondContact O-OG 3.42Å; D48-S51 WeakPolarHBondContact O-CB 3.43Å; D48-S51 PolarHBondContact O-N 2.79Å; D49-S51 VanDerWaalsContact C-N 3.25Å; D49-S51 PolarHBondContact O-N 2.89Å; S51-L54 PolarHBondContact O-N 3.49Å; S51-F55 WeakPolarHBondContact O-CD2 3.21Å; S51-F55 PolarHBondContact O-N 3.37Å; S51-M202 WeakPolarHBondContact OG-CE 3.15Å
52	A	93.3	Very high	91.8	Very high	63 Å²	63	45.8 Å²	45.8	52%	0.521	22%	0.224	S	C	.	.	H	α-helix	trans	-62.6	-42.9	174.2	0	0	0	0	0	111.6	D48 D49 F55 E56	D48-A52 PolarHBondContact O-N 3.28Å; D49-A52 PolarHBondContact O-N 3.41Å; A52-F55 PolarHBondContact O-N 3Å; A52-E56 PolarHBondContact O-N 2.97Å
53	R	96	Very high	92.7	Very high	108 Å²	108	49.2 Å²	49.2	41%	0.408	24%	0.239	S	C	.	.	H	α-helix	trans	-65.7	-39.7	175.4	-65.5	-169.9	-53.2	-94	3.5	112.4	D49 S50 F55 E56 N57 D198	D49-R53 WeakPolarHBondContact O-CG 3.42Å; D49-R53 PolarHBondContact O-N 3.07Å; D49-R53 VanDerWaalsContact O-N 3.09Å; S50-R53 PolarHBondContact O-N 3.25Å; R53-F55 PolarHBondContact O-N 3.32Å; R53-E56 PolarHBondContact O-N 3.02Å; R53-N57 PolarHBondContact O-N 2.75Å; R53-N57 PolarHBondContact O-ND2 3.26Å; R53-N57 VanDerWaalsContact O-ND2 3.08Å; R53-D198 VanDerWaalsContact CB-OD2 3.3Å; R53-D198 WeakPolarHBondContact CB-OD2 3.36Å; R53-D198 IonicContact CZ-OD1 3.59Å; R53-D198 VanDerWaalsContact CZ-OD1 3.28Å; R53-D198 IonicContact NE-OD1 3.23Å; R53-D198 PolarHBondContact NE-OD1 3.49Å; R53-D198 IonicContact NH2-OD1 3.35Å; R53-D198 PolarHBondContact NH2-OD1 2.98Å
54	L	96	Very high	93.4	Very high	29 Å²	29	50 Å²	50	15%	0.152	24%	0.242	C	C	.	.	H	α-helix	trans	-58.6	-48.9	174.7	179.7	60.3	0	0	0	111	S50 S51 E56 N57 I58 I195 L199 M202	S50-L54 WeakPolarHBondContact O-CB 3.29Å; S50-L54 PolarHBondContact O-N 3.04Å; S51-L54 PolarHBondContact O-N 3.49Å; L54-E56 VanDerWaalsContact C-N 3.34Å; L54-E56 PolarHBondContact O-N 2.89Å; L54-N57 PolarHBondContact O-N 2.88Å; L54-I58 HydrophobicContact CD1-CD1 4.26Å; L54-I58 HydrophobicContact CG-CD1 4.08Å; L54-I58 WeakPolarHBondContact O-CG1 3.33Å; L54-I58 PolarHBondContact O-N 2.9Å; L54-I195 HydrophobicContact CD1-CB 4.29Å; L54-I195 HydrophobicContact CD1-CG1 4.02Å; L54-I195 HydrophobicContact CD1-CG2 3.79Å; L54-L199 HydrophobicContact CD1-CD2 4.44Å; L54-L199 HydrophobicContact CD2-CD2 4.13Å; L54-M202 HydrophobicContact CB-CE 4.16Å; L54-M202 HydrophobicContact CD2-CE 4.02Å; L54-M202 HydrophobicContact CD2-SD 4.35Å
55	F	96.1	Very high	94.1	Very high	36 Å²	36	47.9 Å²	47.9	16%	0.158	23%	0.231	C	C	.	.	H	α-helix	trans	-62.5	-38.6	175.8	-77.1	-60.1	0	0	0	112.9	S51 A52 R53 I58 F59 T76 A79 I80 N83	S51-F55 WeakPolarHBondContact O-CD2 3.21Å; S51-F55 PolarHBondContact O-N 3.37Å; A52-F55 PolarHBondContact O-N 3Å; R53-F55 PolarHBondContact O-N 3.32Å; F55-I58 PolarHBondContact O-N 2.98Å; F55-F59 PolarHBondContact O-N 3.48Å; F55-T76 HydrophobicContact CB-CG2 4.36Å; F55-T76 WeakPolarHBondContact O-CG2 3.39Å; F55-A79 HydrophobicContact CE1-CB 4.05Å; F55-I80 HydrophobicContact CB-CD1 4.09Å; F55-I80 HydrophobicContact CB-CG1 4.13Å; F55-I80 HydrophobicContact CD1-CG1 3.86Å; F55-I80 HydrophobicContact CD2-CG1 3.93Å; F55-I80 HydrophobicContact CE1-CG1 4.25Å; F55-I80 HydrophobicContact CE2-CG1 4.32Å; F55-I80 HydrophobicContact CG-CD1 4.23Å; F55-I80 HydrophobicContact CG-CG1 3.7Å; F55-I80 HydrophobicContact CZ-CG1 4.47Å; F55-N83 HydrophobicContact CZ-CB 4.45Å
56	E	97.7	Very high	94.7	Very high	82 Å²	82	49.6 Å²	49.6	38%	0.383	24%	0.242	S	C	.	.	H	α-helix	trans	-62.8	-45.1	174.7	175.5	60.4	-162.4	0	0	111.2	A52 R53 L54 I58 F59 R60	A52-E56 PolarHBondContact O-N 2.97Å; R53-E56 PolarHBondContact O-N 3.02Å; L54-E56 VanDerWaalsContact C-N 3.34Å; L54-E56 PolarHBondContact O-N 2.89Å; E56-I58 PolarHBondContact O-N 2.66Å; E56-F59 WeakPolarHBondContact O-CB 3.31Å; E56-F59 PolarHBondContact O-N 3.47Å; E56-R60 VanDerWaalsContact O-CG 3.28Å; E56-R60 WeakPolarHBondContact O-CG 3.3Å; E56-R60 PolarHBondContact O-N 3.46Å; E56-R60 IonicContact OE1-CZ 3.19Å; E56-R60 IonicContact OE1-NE 2.81Å; E56-R60 PolarHBondContact OE1-NE 3.17Å; E56-R60 IonicContact OE1-NH2 2.77Å; E56-R60 PolarHBondContact OE1-NH2 2.56Å
57	N	97.8	Very high	95.4	Very high	13 Å²	13	51.2 Å²	51.2	7%	0.07	27%	0.269	C	S	.	.	H	α-helix	trans	-66.8	-37	177.9	-70.7	-51.2	0	0	0	112	R53 L54 R60 L61 K194 I195 D198	R53-N57 PolarHBondContact O-N 2.75Å; R53-N57 PolarHBondContact O-ND2 3.26Å; R53-N57 VanDerWaalsContact O-ND2 3.08Å; L54-N57 PolarHBondContact O-N 2.88Å; N57-R60 WeakPolarHBondContact O-CB 3.17Å; N57-R60 PolarHBondContact O-N 3.06Å; N57-L61 WeakPolarHBondContact O-CG 3.39Å; N57-L61 PolarHBondContact O-N 2.93Å; N57-K194 WeakPolarHBondContact ND2-CB 3.22Å; N57-K194 WeakPolarHBondContact OD1-CD 3.27Å; N57-I195 HydrophobicContact CB-CD1 3.98Å; N57-I195 HydrophobicContact CB-CG1 3.5Å; N57-D198 PolarHBondContact ND2-OD2 2.85Å
58	I	96.7	Very high	96	Very high	15 Å²	15	49 Å²	49	8%	0.077	26%	0.258	C	S	.	.	H	α-helix	trans	-59.3	-46.8	170.8	-72.5	166.3	0	0	0	110.7	L54 F55 E56 R60 L61 I62 F172 I195	L54-I58 HydrophobicContact CD1-CD1 4.26Å; L54-I58 HydrophobicContact CG-CD1 4.08Å; L54-I58 WeakPolarHBondContact O-CG1 3.33Å; L54-I58 PolarHBondContact O-N 2.9Å; F55-I58 PolarHBondContact O-N 2.98Å; E56-I58 PolarHBondContact O-N 2.66Å; I58-R60 VanDerWaalsContact C-N 3.28Å; I58-R60 PolarHBondContact O-N 3.46Å; I58-L61 PolarHBondContact O-N 3.24Å; I58-I62 HydrophobicContact CG2-CD1 3.78Å; I58-I62 HydrophobicContact CG2-CG1 4.4Å; I58-I62 WeakPolarHBondContact O-CG1 3.18Å; I58-I62 PolarHBondContact O-N 3.5Å; I58-F172 HydrophobicContact CB-CE2 4.47Å; I58-F172 HydrophobicContact CD1-CE2 4.39Å; I58-F172 HydrophobicContact CD1-CZ 4.03Å; I58-F172 HydrophobicContact CG1-CE2 4.11Å; I58-F172 HydrophobicContact CG1-CZ 4.11Å; I58-F172 HydrophobicContact CG2-CD2 4.17Å; I58-F172 HydrophobicContact CG2-CE2 3.64Å; I58-F172 HydrophobicContact CG2-CZ 4.35Å; I58-I195 HydrophobicContact CG1-CD1 4.37Å
59	F	98.3	Very high	96.5	Very high	28 Å²	28	51.3 Å²	51.3	12%	0.123	27%	0.27	C	S	.	.	H	α-helix	trans	-54.9	-45.1	174.6	160.1	-105.9	0	0	0	111.7	F55 E56 I62 K63 A72 A73 T76	F55-F59 PolarHBondContact O-N 3.48Å; E56-F59 WeakPolarHBondContact O-CB 3.31Å; E56-F59 PolarHBondContact O-N 3.47Å; F59-I62 PolarHBondContact O-N 3.48Å; F59-K63 HydrophobicContact CE1-CD 4.27Å; F59-K63 HydrophobicContact CE2-CD 4.49Å; F59-K63 HydrophobicContact CZ-CD 3.89Å; F59-K63 VanDerWaalsContact O-CB 3.26Å; F59-K63 WeakPolarHBondContact O-CB 3.2Å; F59-K63 PolarHBondContact O-N 3Å; F59-A72 HydrophobicContact CD2-CB 3.74Å; F59-A72 HydrophobicContact CE2-CB 3.74Å; F59-A73 HydrophobicContact CE2-CB 4Å; F59-T76 WeakPolarHBondContact CA-OG1 3.09Å; F59-T76 HydrophobicContact CB-CG2 3.93Å; F59-T76 WeakPolarHBondContact CB-OG1 3.39Å
60	R	98.2	Very high	96.9	Very high	99 Å²	99	53.9 Å²	53.9	37%	0.374	28%	0.276	S	S	.	.	H	α-helix	trans	-63.5	-42.9	179.2	-64.3	-70.9	172.3	165.9	-0.8	112.2	E56 N57 I58 K63 Q64 H191	E56-R60 VanDerWaalsContact O-CG 3.28Å; E56-R60 WeakPolarHBondContact O-CG 3.3Å; E56-R60 PolarHBondContact O-N 3.46Å; E56-R60 IonicContact OE1-CZ 3.19Å; E56-R60 IonicContact OE1-NE 2.81Å; E56-R60 PolarHBondContact OE1-NE 3.17Å; E56-R60 IonicContact OE1-NH2 2.77Å; E56-R60 PolarHBondContact OE1-NH2 2.56Å; N57-R60 WeakPolarHBondContact O-CB 3.17Å; N57-R60 PolarHBondContact O-N 3.06Å; I58-R60 VanDerWaalsContact C-N 3.28Å; I58-R60 PolarHBondContact O-N 3.46Å; R60-K63 PolarHBondContact O-N 2.63Å; R60-Q64 VanDerWaalsContact O-CB 3.25Å; R60-Q64 WeakPolarHBondContact O-CB 3.22Å; R60-Q64 PolarHBondContact O-N 2.81Å; R60-H191 VanDerWaalsContact CB-CE1 3.45Å; R60-H191 WeakPolarHBondContact CB-CE1 3.46Å
61	L	98.1	Very high	97.2	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-60.1	-49.6	175.2	-70.8	180	0	0	0	111.8	N57 I58 K63 Q64 Y65 F177 V181 Y188 H191 M192 I195	N57-L61 WeakPolarHBondContact O-CG 3.39Å; N57-L61 PolarHBondContact O-N 2.93Å; I58-L61 PolarHBondContact O-N 3.24Å; L61-K63 VanDerWaalsContact C-N 3.33Å; L61-K63 PolarHBondContact O-N 2.85Å; L61-Q64 PolarHBondContact O-N 3.33Å; L61-Y65 VanDerWaalsContact O-CB 3.29Å; L61-Y65 WeakPolarHBondContact O-CB 3.5Å; L61-Y65 PolarHBondContact O-N 3.14Å; L61-F177 HydrophobicContact CB-CZ 4.25Å; L61-V181 HydrophobicContact CD2-CG1 4.36Å; L61-Y188 HydrophobicContact CD2-CD1 3.85Å; L61-Y188 HydrophobicContact CD2-CG 4.16Å; L61-H191 HydrophobicContact CD2-CB 3.65Å; L61-H191 HydrophobicContact CG-CB 4.05Å; L61-M192 HydrophobicContact CD1-SD 3.54Å; L61-M192 VanDerWaalsContact CD1-SD 3.54Å; L61-M192 HydrophobicContact CD2-CG 4.24Å; L61-M192 HydrophobicContact CD2-SD 4.1Å; L61-M192 HydrophobicContact CG-SD 4.48Å; L61-I195 HydrophobicContact CD1-CD1 3.37Å; L61-I195 HydrophobicContact CG-CD1 4.27Å
62	I	98.2	Very high	97.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-44.8	179.6	-63.6	171.9	0	0	0	110.2	I58 F59 Q64 Y65 T66 A72 L75 F171 F172 F177	I58-I62 HydrophobicContact CG2-CD1 3.78Å; I58-I62 HydrophobicContact CG2-CG1 4.4Å; I58-I62 WeakPolarHBondContact O-CG1 3.18Å; I58-I62 PolarHBondContact O-N 3.5Å; F59-I62 PolarHBondContact O-N 3.48Å; I62-Q64 PolarHBondContact O-N 3.45Å; I62-Y65 PolarHBondContact O-N 3.28Å; I62-T66 HydrophobicContact CG2-CG2 4.24Å; I62-T66 WeakPolarHBondContact O-CB 3.11Å; I62-T66 VanDerWaalsContact O-CG2 3.3Å; I62-T66 WeakPolarHBondContact O-CG2 3.32Å; I62-T66 PolarHBondContact O-N 3.1Å; I62-T66 PolarHBondContact O-OG1 3.25Å; I62-A72 HydrophobicContact CB-CB 4.05Å; I62-A72 HydrophobicContact CG2-CB 3.71Å; I62-L75 HydrophobicContact CD1-CB 4.48Å; I62-L75 HydrophobicContact CG2-CD1 4.05Å; I62-F171 HydrophobicContact CB-CE1 4.28Å; I62-F171 HydrophobicContact CD1-CD1 4.45Å; I62-F171 HydrophobicContact CD1-CE1 4.35Å; I62-F171 HydrophobicContact CG1-CD1 4.39Å; I62-F171 HydrophobicContact CG1-CE1 3.81Å; I62-F171 HydrophobicContact CG2-CD1 4.48Å; I62-F171 HydrophobicContact CG2-CE1 3.75Å; I62-F171 HydrophobicContact CG2-CE2 4.28Å; I62-F171 HydrophobicContact CG2-CZ 3.66Å; I62-F172 HydrophobicContact CD1-CD2 4.41Å; I62-F177 HydrophobicContact CG1-CE2 4.37Å; I62-F177 HydrophobicContact CG1-CZ 3.98Å
63	K	98.5	Very high	97.8	Very high	72 Å²	72	55.5 Å²	55.5	31%	0.313	28%	0.281	S	S	.	.	H	α-helix	trans	-60.2	-46	177.6	177.1	177.4	174	166.8	0	111.6	F59 R60 L61 G67 N69 A72	F59-K63 HydrophobicContact CE1-CD 4.27Å; F59-K63 HydrophobicContact CE2-CD 4.49Å; F59-K63 HydrophobicContact CZ-CD 3.89Å; F59-K63 VanDerWaalsContact O-CB 3.26Å; F59-K63 WeakPolarHBondContact O-CB 3.2Å; F59-K63 PolarHBondContact O-N 3Å; R60-K63 PolarHBondContact O-N 2.63Å; L61-K63 VanDerWaalsContact C-N 3.33Å; L61-K63 PolarHBondContact O-N 2.85Å; K63-G67 VanDerWaalsContact O-CA 3.31Å; K63-G67 WeakPolarHBondContact O-CA 3.41Å; K63-G67 PolarHBondContact O-N 3.38Å; K63-N69 HydrophobicContact CD-CB 4.48Å; K63-N69 WeakPolarHBondContact CD-OD1 3.25Å; K63-N69 VanDerWaalsContact CE-OD1 3.28Å; K63-N69 WeakPolarHBondContact CE-OD1 3.31Å; K63-N69 PolarHBondContact NZ-OD1 3.22Å; K63-A72 HydrophobicContact CB-CB 3.66Å
64	Q	97.6	Very high	97.9	Very high	67 Å²	67	53.7 Å²	53.7	31%	0.313	27%	0.274	S	S	.	.	H	α-helix	trans	-72	-33.4	-177.7	-171.1	176.6	6.9	0	0	112.7	R60 L61 I62 K187 Y188	R60-Q64 VanDerWaalsContact O-CB 3.25Å; R60-Q64 WeakPolarHBondContact O-CB 3.22Å; R60-Q64 PolarHBondContact O-N 2.81Å; L61-Q64 PolarHBondContact O-N 3.33Å; I62-Q64 PolarHBondContact O-N 3.45Å; Q64-K187 HydrophobicContact CG-CG 4.33Å; Q64-K187 PolarHBondContact NE2-O 3.35Å; Q64-K187 WeakPolarHBondContact O-CE 3.39Å; Q64-K187 PolarHBondContact O-NZ 2.95Å; Q64-K187 PolarHBondContact OE1-O 2.68Å; Q64-Y188 HydrophobicContact CB-CD1 4.38Å; Q64-Y188 HydrophobicContact CB-CE1 4.09Å; Q64-Y188 HydrophobicContact CG-CD1 4.24Å; Q64-Y188 HydrophobicContact CG-CE1 3.94Å
65	Y	98.1	Very high	98	Very high	69 Å²	69	52.6 Å²	52.6	27%	0.271	27%	0.268	S	S	.	.	H	α-helix	trans	-69.1	-49.7	174.6	177.1	-96.6	0	0	0	111.3	L61 I62 F171 F177 E180	L61-Y65 VanDerWaalsContact O-CB 3.29Å; L61-Y65 WeakPolarHBondContact O-CB 3.5Å; L61-Y65 PolarHBondContact O-N 3.14Å; I62-Y65 PolarHBondContact O-N 3.28Å; Y65-F171 HydrophobicContact CD1-CZ 4.09Å; Y65-F171 HydrophobicContact CE1-CZ 4.47Å; Y65-F177 AromaticContact CD1-CD2 3.7Å; Y65-F177 HydrophobicContact CD1-CD2 3.7Å; Y65-F177 HydrophobicContact CD1-CE2 4.42Å; Y65-F177 AromaticContact CD2-CD2 3.84Å; Y65-F177 HydrophobicContact CD2-CD2 3.84Å; Y65-F177 HydrophobicContact CE1-CB 4.23Å; Y65-F177 HydrophobicContact CE1-CD2 4.13Å; Y65-F177 HydrophobicContact CE2-CB 4.43Å; Y65-F177 HydrophobicContact CE2-CD2 4.27Å; Y65-F177 AromaticContact CG-CD2 3.54Å; Y65-F177 HydrophobicContact CG-CD2 3.54Å; Y65-F177 HydrophobicContact CG-CE2 4.06Å; Y65-E180 HydrophobicContact CD2-CB 4.16Å; Y65-E180 HydrophobicContact CD2-CG 3.78Å; Y65-E180 HydrophobicContact CE2-CB 3.82Å; Y65-E180 HydrophobicContact CE2-CG 3.76Å
66	T	97.8	Very high	98.1	Very high	43 Å²	43	51.2 Å²	51.2	26%	0.264	26%	0.263	S	S	.	.	H	α-helix	trans	-83.4	-21.3	-173.6	59.6	0	0	0	0	114.4	I62 N68 L71 F171	I62-T66 HydrophobicContact CG2-CG2 4.24Å; I62-T66 WeakPolarHBondContact O-CB 3.11Å; I62-T66 VanDerWaalsContact O-CG2 3.3Å; I62-T66 WeakPolarHBondContact O-CG2 3.32Å; I62-T66 PolarHBondContact O-N 3.1Å; I62-T66 PolarHBondContact O-OG1 3.25Å; T66-N68 PolarHBondContact O-N 3Å; T66-N68 PolarHBondContact OG1-N 3.49Å; T66-L71 HydrophobicContact CG2-CD2 4.06Å; T66-F171 HydrophobicContact CG2-CE2 3.52Å; T66-F171 HydrophobicContact CG2-CZ 3.46Å; T66-F171 VanDerWaalsContact CG2-CZ 3.46Å
67	G	97.9	Very high	98.1	Very high	71 Å²	71	52.8 Å²	52.8	73%	0.732	27%	0.269	S	S	*	.	S	Bend	trans	64.9	8.7	-165.3	0	0	0	0	0	113.8	K63	K63-G67 VanDerWaalsContact O-CA 3.31Å; K63-G67 WeakPolarHBondContact O-CA 3.41Å; K63-G67 PolarHBondContact O-N 3.38Å
68	N	98.3	Very high	98.2	Very high	72 Å²	72	53 Å²	53	39%	0.385	27%	0.269	S	S	.	.			trans	-118.9	99.3	-171.6	-172.8	-22.6	0	0	0	111.6	T66 K70 L71 A72	T66-N68 PolarHBondContact O-N 3Å; T66-N68 PolarHBondContact OG1-N 3.49Å; N68-K70 VanDerWaalsContact C-N 3.32Å; N68-K70 PolarHBondContact O-N 3.09Å; N68-K70 PolarHBondContact OD1-N 3.01Å; N68-L71 HydrophobicContact CB-CB 3.93Å; N68-L71 PolarHBondContact O-N 3.44Å; N68-L71 PolarHBondContact OD1-N 3.49Å; N68-A72 WeakPolarHBondContact O-CB 3.23Å; N68-A72 PolarHBondContact O-N 3.44Å
69	N	98.3	Very high	98.2	Very high	76 Å²	76	52.3 Å²	52.3	41%	0.406	27%	0.266	S	S	.	.	H	α-helix	trans	-61.6	-37.3	179.5	-172.1	84.2	0	0	0	113.1	K63 A73	K63-N69 HydrophobicContact CD-CB 4.48Å; K63-N69 WeakPolarHBondContact CD-OD1 3.25Å; K63-N69 VanDerWaalsContact CE-OD1 3.28Å; K63-N69 WeakPolarHBondContact CE-OD1 3.31Å; K63-N69 PolarHBondContact NZ-OD1 3.22Å; N69-A73 VanDerWaalsContact O-CB 3.28Å; N69-A73 WeakPolarHBondContact O-CB 3.17Å; N69-A73 PolarHBondContact O-N 2.99Å
70	K	98.5	Very high	98.1	Very high	177 Å²	177	54.2 Å²	54.2	77%	0.77	28%	0.277	S	S	*	.	H	α-helix	trans	-67.6	-44.7	-178.9	-68.8	-177.1	179.4	177.9	0	110.7	N68 Y74	N68-K70 VanDerWaalsContact C-N 3.32Å; N68-K70 PolarHBondContact O-N 3.09Å; N68-K70 PolarHBondContact OD1-N 3.01Å; K70-Y74 VanDerWaalsContact O-CB 3.26Å; K70-Y74 WeakPolarHBondContact O-CB 3.37Å; K70-Y74 PolarHBondContact O-N 2.88Å
71	L	98.4	Very high	98	Very high	60 Å²	60	54.3 Å²	54.3	31%	0.314	28%	0.28	S	S	.	.	H	α-helix	trans	-63.7	-47.9	176.9	-179.8	61.2	0	0	0	111	T66 N68 A73 Y74 L75 F171	T66-L71 HydrophobicContact CG2-CD2 4.06Å; N68-L71 HydrophobicContact CB-CB 3.93Å; N68-L71 PolarHBondContact O-N 3.44Å; N68-L71 PolarHBondContact OD1-N 3.49Å; L71-A73 PolarHBondContact O-N 3.35Å; L71-Y74 PolarHBondContact O-N 2.91Å; L71-L75 HydrophobicContact CD1-CD1 3.79Å; L71-L75 HydrophobicContact CD1-CD2 4.31Å; L71-L75 HydrophobicContact CD1-CG 3.89Å; L71-L75 HydrophobicContact CG-CD1 3.79Å; L71-L75 HydrophobicContact CG-CG 4.3Å; L71-L75 VanDerWaalsContact O-CG 3.31Å; L71-L75 WeakPolarHBondContact O-CG 3.47Å; L71-L75 PolarHBondContact O-N 3.2Å; L71-F171 HydrophobicContact CD2-CE2 4.24Å
72	A	98.6	Very high	97.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58.6	-46.2	178.7	0	0	0	0	0	112.6	F59 I62 K63 N68 T76	F59-A72 HydrophobicContact CD2-CB 3.74Å; F59-A72 HydrophobicContact CE2-CB 3.74Å; I62-A72 HydrophobicContact CB-CB 4.05Å; I62-A72 HydrophobicContact CG2-CB 3.71Å; K63-A72 HydrophobicContact CB-CB 3.66Å; N68-A72 WeakPolarHBondContact O-CB 3.23Å; N68-A72 PolarHBondContact O-N 3.44Å; A72-T76 WeakPolarHBondContact O-CB 3.5Å; A72-T76 PolarHBondContact O-N 3.33Å; A72-T76 VanDerWaalsContact O-N 3.08Å; A72-T76 PolarHBondContact O-OG1 2.73Å
73	A	98.5	Very high	97.7	Very high	43 Å²	43	54.9 Å²	54.9	36%	0.355	28%	0.283	S	S	.	.	H	α-helix	trans	-64.2	-41.7	177.2	0	0	0	0	0	111.5	F59 N69 L71 K77	F59-A73 HydrophobicContact CE2-CB 4Å; N69-A73 VanDerWaalsContact O-CB 3.28Å; N69-A73 WeakPolarHBondContact O-CB 3.17Å; N69-A73 PolarHBondContact O-N 2.99Å; L71-A73 PolarHBondContact O-N 3.35Å; A73-K77 WeakPolarHBondContact O-CB 3.11Å; A73-K77 PolarHBondContact O-N 2.92Å
74	Y	98.6	Very high	97.5	Very high	71 Å²	71	54.8 Å²	54.8	28%	0.278	29%	0.288	S	S	.	.	H	α-helix	trans	-60.8	-52.4	177.8	168.2	-101.9	0	0	0	112.2	K70 L71 K77 Q78 E167	K70-Y74 VanDerWaalsContact O-CB 3.26Å; K70-Y74 WeakPolarHBondContact O-CB 3.37Å; K70-Y74 PolarHBondContact O-N 2.88Å; L71-Y74 PolarHBondContact O-N 2.91Å; Y74-K77 WeakPolarHBondContact O-CB 3.33Å; Y74-K77 PolarHBondContact O-N 2.89Å; Y74-Q78 HydrophobicContact CD2-CG 4.4Å; Y74-Q78 HydrophobicContact CE1-CG 4.32Å; Y74-Q78 HydrophobicContact CE2-CG 3.98Å; Y74-Q78 VanDerWaalsContact CE2-NE2 3.32Å; Y74-Q78 VanDerWaalsContact O-CG 3.32Å; Y74-Q78 WeakPolarHBondContact O-CG 3.35Å; Y74-Q78 PolarHBondContact O-N 3.42Å; Y74-Q78 VanDerWaalsContact O-N 3.08Å; Y74-Q78 PolarHBondContact O-NE2 3.49Å; Y74-Q78 VanDerWaalsContact O-NE2 3.09Å; Y74-E167 WeakPolarHBondContact CE1-OE2 3.48Å; Y74-E167 VanDerWaalsContact CZ-OE2 3.25Å; Y74-E167 VanDerWaalsContact OH-CD 3.29Å; Y74-E167 PolarHBondContact OH-OE1 3.35Å; Y74-E167 PolarHBondContact OH-OE2 3.11Å
75	L	98.6	Very high	97.4	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-62.9	-49.6	-177.1	-66.5	171.9	0	0	0	111	I62 L71 K77 Q78 A79 F168 F171	I62-L75 HydrophobicContact CD1-CB 4.48Å; I62-L75 HydrophobicContact CG2-CD1 4.05Å; L71-L75 HydrophobicContact CD1-CD1 3.79Å; L71-L75 HydrophobicContact CD1-CD2 4.31Å; L71-L75 HydrophobicContact CD1-CG 3.89Å; L71-L75 HydrophobicContact CG-CD1 3.79Å; L71-L75 HydrophobicContact CG-CG 4.3Å; L71-L75 VanDerWaalsContact O-CG 3.31Å; L71-L75 WeakPolarHBondContact O-CG 3.47Å; L71-L75 PolarHBondContact O-N 3.2Å; L75-K77 VanDerWaalsContact C-N 3.27Å; L75-K77 PolarHBondContact O-N 3.27Å; L75-Q78 PolarHBondContact O-N 2.98Å; L75-A79 PolarHBondContact O-N 3.4Å; L75-A79 VanDerWaalsContact O-N 3.14Å; L75-F168 HydrophobicContact CB-CD2 4.13Å; L75-F168 HydrophobicContact CD2-CB 4.48Å; L75-F168 WeakPolarHBondContact O-CD2 3.4Å; L75-F171 HydrophobicContact CD1-CB 3.92Å; L75-F171 HydrophobicContact CD1-CD1 3.9Å; L75-F171 HydrophobicContact CD1-CD2 3.35Å; L75-F171 HydrophobicContact CD1-CE1 4.39Å; L75-F171 HydrophobicContact CD1-CE2 3.82Å; L75-F171 HydrophobicContact CD1-CG 3.45Å; L75-F171 VanDerWaalsContact CD1-CG 3.45Å; L75-F171 HydrophobicContact CD1-CZ 4.38Å; L75-F171 HydrophobicContact CD2-CB 4.31Å
76	T	98.1	Very high	97.2	Very high	7 Å²	7	52.1 Å²	52.1	4%	0.043	28%	0.277	C	S	.	.	H	α-helix	trans	-60.4	-39.7	178.3	-45.9	0	0	0	0	111.1	F55 F59 A72 Q78 A79 I80	F55-T76 HydrophobicContact CB-CG2 4.36Å; F55-T76 WeakPolarHBondContact O-CG2 3.39Å; F59-T76 WeakPolarHBondContact CA-OG1 3.09Å; F59-T76 HydrophobicContact CB-CG2 3.93Å; F59-T76 WeakPolarHBondContact CB-OG1 3.39Å; A72-T76 WeakPolarHBondContact O-CB 3.5Å; A72-T76 PolarHBondContact O-N 3.33Å; A72-T76 VanDerWaalsContact O-N 3.08Å; A72-T76 PolarHBondContact O-OG1 2.73Å; T76-Q78 VanDerWaalsContact C-N 3.32Å; T76-Q78 PolarHBondContact O-N 2.86Å; T76-A79 WeakPolarHBondContact O-CB 3.49Å; T76-A79 PolarHBondContact O-N 3.28Å; T76-I80 HydrophobicContact CG2-CD1 4.06Å; T76-I80 WeakPolarHBondContact O-CG1 3.33Å; T76-I80 PolarHBondContact O-N 3.43Å
77	K	98.1	Very high	96.9	Very high	115 Å²	115	50.9 Å²	50.9	50%	0.5	27%	0.269	S	S	.	.	H	α-helix	trans	-62.2	-36.9	175.6	179.9	176.8	-176.3	172.9	0	112.6	A73 Y74 L75 K81	A73-K77 WeakPolarHBondContact O-CB 3.11Å; A73-K77 PolarHBondContact O-N 2.92Å; Y74-K77 WeakPolarHBondContact O-CB 3.33Å; Y74-K77 PolarHBondContact O-N 2.89Å; L75-K77 VanDerWaalsContact C-N 3.27Å; L75-K77 PolarHBondContact O-N 3.27Å; K77-K81 HydrophobicContact CG-CD 4.24Å; K77-K81 HydrophobicContact CG-CG 4.45Å; K77-K81 VanDerWaalsContact O-CB 3.3Å; K77-K81 WeakPolarHBondContact O-CB 3.29Å; K77-K81 VanDerWaalsContact O-CG 3.25Å; K77-K81 WeakPolarHBondContact O-CG 3.45Å; K77-K81 PolarHBondContact O-N 2.93Å
78	Q	98.2	Very high	96.6	Very high	17 Å²	17	51.8 Å²	51.8	8%	0.079	26%	0.256	C	S	.	.	H	α-helix	trans	-69.3	-38.7	177.3	-54.9	-35.2	-57.7	0	0	111.4	Y74 L75 T76 K81 L82 K164 F168	Y74-Q78 HydrophobicContact CD2-CG 4.4Å; Y74-Q78 HydrophobicContact CE1-CG 4.32Å; Y74-Q78 HydrophobicContact CE2-CG 3.98Å; Y74-Q78 VanDerWaalsContact CE2-NE2 3.32Å; Y74-Q78 VanDerWaalsContact O-CG 3.32Å; Y74-Q78 WeakPolarHBondContact O-CG 3.35Å; Y74-Q78 PolarHBondContact O-N 3.42Å; Y74-Q78 VanDerWaalsContact O-N 3.08Å; Y74-Q78 PolarHBondContact O-NE2 3.49Å; Y74-Q78 VanDerWaalsContact O-NE2 3.09Å; L75-Q78 PolarHBondContact O-N 2.98Å; T76-Q78 VanDerWaalsContact C-N 3.32Å; T76-Q78 PolarHBondContact O-N 2.86Å; Q78-K81 PolarHBondContact O-N 2.72Å; Q78-L82 PolarHBondContact O-N 2.99Å; Q78-L82 VanDerWaalsContact O-N 3.08Å; Q78-K164 HydrophobicContact CB-CB 4.46Å; Q78-K164 WeakPolarHBondContact CB-O 3.43Å; Q78-K164 HydrophobicContact CG-CB 3.94Å; Q78-F168 HydrophobicContact CB-CB 4.34Å
79	A	97.4	Very high	96.3	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-58.6	-54.7	172.8	0	0	0	0	0	111.3	F55 L75 T76 K81 L82 N83 F168	F55-A79 HydrophobicContact CE1-CB 4.05Å; L75-A79 PolarHBondContact O-N 3.4Å; L75-A79 VanDerWaalsContact O-N 3.14Å; T76-A79 WeakPolarHBondContact O-CB 3.49Å; T76-A79 PolarHBondContact O-N 3.28Å; A79-K81 VanDerWaalsContact C-N 3.32Å; A79-K81 PolarHBondContact O-N 3.06Å; A79-L82 PolarHBondContact O-N 3.41Å; A79-N83 PolarHBondContact O-N 2.99Å; A79-N83 PolarHBondContact O-ND2 2.98Å; A79-F168 HydrophobicContact CB-CD1 3.69Å; A79-F168 HydrophobicContact CB-CD2 3.82Å; A79-F168 HydrophobicContact CB-CE1 3.52Å; A79-F168 HydrophobicContact CB-CE2 3.65Å; A79-F168 HydrophobicContact CB-CG 3.84Å; A79-F168 HydrophobicContact CB-CZ 3.5Å
80	I	96.2	Very high	95.9	Very high	69 Å²	69	46 Å²	46	35%	0.354	23%	0.225	S	C	.	.	H	α-helix	trans	-57.8	-46.3	179.9	-66	166	0	0	0	110.7	F55 T76 L82 N83 V84	F55-I80 HydrophobicContact CB-CD1 4.09Å; F55-I80 HydrophobicContact CB-CG1 4.13Å; F55-I80 HydrophobicContact CD1-CG1 3.86Å; F55-I80 HydrophobicContact CD2-CG1 3.93Å; F55-I80 HydrophobicContact CE1-CG1 4.25Å; F55-I80 HydrophobicContact CE2-CG1 4.32Å; F55-I80 HydrophobicContact CG-CD1 4.23Å; F55-I80 HydrophobicContact CG-CG1 3.7Å; F55-I80 HydrophobicContact CZ-CG1 4.47Å; T76-I80 HydrophobicContact CG2-CD1 4.06Å; T76-I80 WeakPolarHBondContact O-CG1 3.33Å; T76-I80 PolarHBondContact O-N 3.43Å; I80-L82 VanDerWaalsContact C-N 3.34Å; I80-L82 PolarHBondContact O-N 3Å; I80-N83 PolarHBondContact O-N 3.39Å; I80-V84 HydrophobicContact CG2-CG2 4.18Å; I80-V84 WeakPolarHBondContact O-CB 3.28Å; I80-V84 VanDerWaalsContact O-CG2 3.31Å; I80-V84 WeakPolarHBondContact O-CG2 3.44Å; I80-V84 PolarHBondContact O-N 2.54Å
81	K	96.1	Very high	95.4	Very high	100 Å²	100	40.3 Å²	40.3	44%	0.435	21%	0.207	S	C	.	.	H	α-helix	trans	-58.5	-43.6	-179.8	-83.6	-178.8	167.8	-167.1	0	113	K77 Q78 A79 K85	K77-K81 HydrophobicContact CG-CD 4.24Å; K77-K81 HydrophobicContact CG-CG 4.45Å; K77-K81 VanDerWaalsContact O-CB 3.3Å; K77-K81 WeakPolarHBondContact O-CB 3.29Å; K77-K81 VanDerWaalsContact O-CG 3.25Å; K77-K81 WeakPolarHBondContact O-CG 3.45Å; K77-K81 PolarHBondContact O-N 2.93Å; Q78-K81 PolarHBondContact O-N 2.72Å; A79-K81 VanDerWaalsContact C-N 3.32Å; A79-K81 PolarHBondContact O-N 3.06Å; K81-K85 WeakPolarHBondContact O-CB 3.46Å; K81-K85 WeakPolarHBondContact O-CG 3.41Å; K81-K85 PolarHBondContact O-N 3.12Å
82	L	96.7	Very high	95	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-70	-43.2	-179.5	-168.7	69.9	0	0	0	111	Q78 A79 I80 V84 K85 A86 L149 I150 V153 I157 F165	Q78-L82 PolarHBondContact O-N 2.99Å; Q78-L82 VanDerWaalsContact O-N 3.08Å; A79-L82 PolarHBondContact O-N 3.41Å; I80-L82 VanDerWaalsContact C-N 3.34Å; I80-L82 PolarHBondContact O-N 3Å; L82-V84 VanDerWaalsContact C-N 3.34Å; L82-V84 PolarHBondContact O-N 2.7Å; L82-K85 WeakPolarHBondContact O-CB 3.3Å; L82-K85 PolarHBondContact O-N 2.77Å; L82-K85 VanDerWaalsContact O-N 3.15Å; L82-A86 PolarHBondContact O-N 3.29Å; L82-L149 HydrophobicContact CD2-CD2 3.84Å; L82-L149 HydrophobicContact CD2-CG 4.04Å; L82-L149 HydrophobicContact CG-CD2 4.26Å; L82-I150 HydrophobicContact CD2-CD1 3.58Å; L82-I150 HydrophobicContact CD2-CG1 4.21Å; L82-V153 HydrophobicContact CD1-CG2 3.88Å; L82-I157 HydrophobicContact CD1-CD1 3.44Å; L82-I157 VanDerWaalsContact CD1-CD1 3.44Å; L82-F165 HydrophobicContact CB-CB 4.37Å; L82-F165 HydrophobicContact CB-CD2 3.6Å; L82-F165 HydrophobicContact CB-CE2 4.09Å; L82-F165 HydrophobicContact CB-CG 4.11Å; L82-F165 HydrophobicContact CD2-CB 3.74Å; L82-F165 HydrophobicContact CD2-CD1 3.34Å; L82-F165 HydrophobicContact CD2-CD2 3.37Å; L82-F165 HydrophobicContact CD2-CE1 3.62Å; L82-F165 HydrophobicContact CD2-CE2 3.68Å; L82-F165 HydrophobicContact CD2-CG 3.18Å; L82-F165 HydrophobicContact CD2-CZ 3.79Å; L82-F165 HydrophobicContact CG-CD2 4.09Å; L82-F165 HydrophobicContact CG-CE2 4.47Å; L82-F165 HydrophobicContact CG-CG 4.2Å
83	N	93.7	Very high	94.4	Very high	13 Å²	13	49.3 Å²	49.3	7%	0.07	26%	0.255	C	S	.	.	H	α-helix	trans	-59.9	-43.2	177	-74.6	-69.6	0	0	0	112	F46 F55 A79 I80 K85 A86 L87	F46-N83 HydrophobicContact CD1-CB 3.93Å; F46-N83 HydrophobicContact CE1-CB 3.59Å; F46-N83 VanDerWaalsContact CE1-CG 3.41Å; F46-N83 WeakPolarHBondContact CE1-OD1 3.38Å; F46-N83 HydrophobicContact CZ-CB 4.08Å; F46-N83 WeakPolarHBondContact CZ-OD1 3.31Å; F55-N83 HydrophobicContact CZ-CB 4.45Å; A79-N83 PolarHBondContact O-N 2.99Å; A79-N83 PolarHBondContact O-ND2 2.98Å; I80-N83 PolarHBondContact O-N 3.39Å; N83-K85 PolarHBondContact O-N 3.37Å; N83-A86 PolarHBondContact O-N 3.06Å; N83-L87 WeakPolarHBondContact O-CB 3.33Å; N83-L87 PolarHBondContact O-N 3.25Å
84	V	94.1	Very high	94	Very high	70 Å²	70	51.5 Å²	51.5	42%	0.424	26%	0.26	S	S	.	.	H	α-helix	trans	-64.3	-40.4	175	171.7	0	0	0	0	111.7	I80 L82 L87 I88	I80-V84 HydrophobicContact CG2-CG2 4.18Å; I80-V84 WeakPolarHBondContact O-CB 3.28Å; I80-V84 VanDerWaalsContact O-CG2 3.31Å; I80-V84 WeakPolarHBondContact O-CG2 3.44Å; I80-V84 PolarHBondContact O-N 2.54Å; L82-V84 VanDerWaalsContact C-N 3.34Å; L82-V84 PolarHBondContact O-N 2.7Å; V84-L87 PolarHBondContact O-N 3.37Å; V84-I88 HydrophobicContact CG1-CD1 3.92Å; V84-I88 VanDerWaalsContact O-CG1 3.28Å; V84-I88 WeakPolarHBondContact O-CG1 3.38Å; V84-I88 PolarHBondContact O-N 3.41Å
85	K	94.6	Very high	93.6	Very high	80 Å²	80	49.2 Å²	49.2	35%	0.348	25%	0.253	S	S	.	.	H	α-helix	trans	-62.4	-46.7	174.7	-78.3	170.8	171.4	-109.4	0	111.2	K81 L82 N83 L87 I88 L89 I157	K81-K85 WeakPolarHBondContact O-CB 3.46Å; K81-K85 WeakPolarHBondContact O-CG 3.41Å; K81-K85 PolarHBondContact O-N 3.12Å; L82-K85 WeakPolarHBondContact O-CB 3.3Å; L82-K85 PolarHBondContact O-N 2.77Å; L82-K85 VanDerWaalsContact O-N 3.15Å; N83-K85 PolarHBondContact O-N 3.37Å; K85-L87 VanDerWaalsContact C-N 3.32Å; K85-L87 PolarHBondContact O-N 3Å; K85-I88 PolarHBondContact O-N 2.91Å; K85-L89 WeakPolarHBondContact O-CG 3.29Å; K85-L89 PolarHBondContact O-N 3.45Å; K85-I157 HydrophobicContact CB-CG2 4.47Å; K85-I157 HydrophobicContact CD-CG2 4.07Å
86	A	93.5	Very high	93.4	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-57.5	-47.4	176.2	0	0	0	0	0	111.1	L82 N83 I88 L89 I90 L149 V153	L82-A86 PolarHBondContact O-N 3.29Å; N83-A86 PolarHBondContact O-N 3.06Å; A86-I88 VanDerWaalsContact C-N 3.34Å; A86-I88 PolarHBondContact O-N 3.37Å; A86-L89 PolarHBondContact O-N 2.96Å; A86-I90 VanDerWaalsContact O-CB 3.24Å; A86-I90 WeakPolarHBondContact O-CB 3.31Å; A86-I90 WeakPolarHBondContact O-CD1 3.25Å; A86-I90 WeakPolarHBondContact O-CG1 3.4Å; A86-I90 PolarHBondContact O-N 2.99Å; A86-L149 HydrophobicContact CB-CD1 3.6Å; A86-V153 HydrophobicContact CB-CG1 3.73Å
87	L	91.9	Very high	93	Very high	16 Å²	16	57.2 Å²	57.2	8%	0.084	30%	0.299	C	S	.	.	H	α-helix	trans	-55.9	-45.8	176	178.3	64.9	0	0	0	112.5	I43 F46 L47 N83 V84 K85 S91	I43-L87 HydrophobicContact CB-CD1 3.98Å; I43-L87 HydrophobicContact CG1-CD1 3.63Å; I43-L87 HydrophobicContact CG2-CD1 4.14Å; F46-L87 HydrophobicContact CB-CD1 4.43Å; F46-L87 HydrophobicContact CB-CD2 4.08Å; L47-L87 HydrophobicContact CD2-CD2 3.63Å; L47-L87 HydrophobicContact CG-CD2 3.84Å; N83-L87 WeakPolarHBondContact O-CB 3.33Å; N83-L87 PolarHBondContact O-N 3.25Å; V84-L87 PolarHBondContact O-N 3.37Å; K85-L87 VanDerWaalsContact C-N 3.32Å; K85-L87 PolarHBondContact O-N 3Å; L87-S91 VanDerWaalsContact O-CB 3.26Å; L87-S91 WeakPolarHBondContact O-CB 3.24Å; L87-S91 PolarHBondContact O-N 2.9Å; L87-S91 PolarHBondContact O-OG 2.98Å
88	I	92.1	Very high	92.9	Very high	90 Å²	90	58.2 Å²	58.2	46%	0.462	31%	0.306	S	S	.	.	H	α-helix	trans	-63	-47.7	178	-69.2	164.7	0	0	0	110.5	V84 K85 A86 I90 S91 N92	V84-I88 HydrophobicContact CG1-CD1 3.92Å; V84-I88 VanDerWaalsContact O-CG1 3.28Å; V84-I88 WeakPolarHBondContact O-CG1 3.38Å; V84-I88 PolarHBondContact O-N 3.41Å; K85-I88 PolarHBondContact O-N 2.91Å; A86-I88 VanDerWaalsContact C-N 3.34Å; A86-I88 PolarHBondContact O-N 3.37Å; I88-I90 VanDerWaalsContact C-N 3.33Å; I88-I90 PolarHBondContact O-N 3.48Å; I88-S91 PolarHBondContact O-N 2.98Å; I88-N92 PolarHBondContact O-N 3.37Å; I88-N92 VanDerWaalsContact O-N 3.08Å; I88-N92 PolarHBondContact O-ND2 2.55Å
89	L	92.8	Very high	92.7	Very high	19 Å²	19	58.3 Å²	58.3	10%	0.099	31%	0.307	C	S	.	.	H	α-helix	trans	-61.3	-45.2	-178.9	-65.3	167.5	0	0	0	111.6	K85 A86 N92 I94 L95 V153 H156 I157	K85-L89 WeakPolarHBondContact O-CG 3.29Å; K85-L89 PolarHBondContact O-N 3.45Å; A86-L89 PolarHBondContact O-N 2.96Å; L89-N92 PolarHBondContact O-N 3.29Å; L89-I94 HydrophobicContact CB-CG1 4.44Å; L89-I94 HydrophobicContact CD2-CD1 3.39Å; L89-I94 HydrophobicContact CD2-CG1 4.02Å; L89-L95 HydrophobicContact CB-CD2 3.93Å; L89-L95 HydrophobicContact CB-CG 4.3Å; L89-V153 HydrophobicContact CD1-CB 3.68Å; L89-V153 HydrophobicContact CD1-CG1 3.69Å; L89-H156 HydrophobicContact CD1-CB 3.68Å; L89-H156 HydrophobicContact CD2-CB 3.52Å; L89-H156 HydrophobicContact CG-CB 4.26Å; L89-I157 HydrophobicContact CD1-CG2 4.46Å
90	I	89.3	Confident	92.5	Very high	9 Å²	9	59.7 Å²	59.7	5%	0.046	31%	0.314	C	S	.	.	H	α-helix	trans	-60.6	-47.5	175.7	-74.8	168.6	0	0	0	111	L38 I42 I43 A86 I88 N92 D93 L95 A103	L38-I90 HydrophobicContact CD1-CB 4.47Å; L38-I90 HydrophobicContact CD1-CG2 3.25Å; L38-I90 HydrophobicContact CD2-CG2 3.16Å; L38-I90 HydrophobicContact CG-CG2 3.76Å; I42-I90 HydrophobicContact CG2-CD1 4.06Å; I43-I90 HydrophobicContact CG1-CG2 4.48Å; A86-I90 VanDerWaalsContact O-CB 3.24Å; A86-I90 WeakPolarHBondContact O-CB 3.31Å; A86-I90 WeakPolarHBondContact O-CD1 3.25Å; A86-I90 WeakPolarHBondContact O-CG1 3.4Å; A86-I90 PolarHBondContact O-N 2.99Å; I88-I90 VanDerWaalsContact C-N 3.33Å; I88-I90 PolarHBondContact O-N 3.48Å; I90-N92 PolarHBondContact O-N 3.45Å; I90-D93 PolarHBondContact O-N 2.89Å; I90-L95 HydrophobicContact CG1-CD1 3.61Å; I90-A103 HydrophobicContact CD1-CB 3.85Å; I90-A103 HydrophobicContact CG1-CB 4.33Å
91	S	88	Confident	92.3	Very high	56 Å²	56	61.1 Å²	61.1	39%	0.392	32%	0.322	S	S	.	.	H	α-helix	trans	-73.4	-14.7	-175.5	-54.1	0	0	0	0	114	L87 I88	L87-S91 VanDerWaalsContact O-CB 3.26Å; L87-S91 WeakPolarHBondContact O-CB 3.24Å; L87-S91 PolarHBondContact O-N 2.9Å; L87-S91 PolarHBondContact O-OG 2.98Å; I88-S91 PolarHBondContact O-N 2.98Å
92	N	89.2	Confident	92.3	Very high	104 Å²	104	58.4 Å²	58.4	56%	0.556	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	6	176.6	-76.3	-90.1	0	0	0	112.6	I88 L89 I90 I94	I88-N92 PolarHBondContact O-N 3.37Å; I88-N92 VanDerWaalsContact O-N 3.08Å; I88-N92 PolarHBondContact O-ND2 2.55Å; L89-N92 PolarHBondContact O-N 3.29Å; I90-N92 PolarHBondContact O-N 3.45Å; N92-I94 HydrophobicContact CB-CG2 4Å; N92-I94 VanDerWaalsContact O-CG2 3.27Å; N92-I94 WeakPolarHBondContact O-CG2 3.19Å; N92-I94 PolarHBondContact O-N 3.35Å; N92-I94 VanDerWaalsContact O-N 3.13Å
93	D	85.8	Confident	92.1	Very high	145 Å²	145	58.3 Å²	58.3	78%	0.775	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	34	178.1	-59.9	-45.4	0	0	0	113.6	I90	I90-D93 PolarHBondContact O-N 2.89Å
94	I	90.5	Very high	92	Very high	90 Å²	90	59.8 Å²	59.8	46%	0.462	32%	0.315	S	S	.	.			trans	-98	-4.6	-178.8	72.6	172.1	0	0	0	114	L89 N92	L89-I94 HydrophobicContact CB-CG1 4.44Å; L89-I94 HydrophobicContact CD2-CD1 3.39Å; L89-I94 HydrophobicContact CD2-CG1 4.02Å; N92-I94 HydrophobicContact CB-CG2 4Å; N92-I94 VanDerWaalsContact O-CG2 3.27Å; N92-I94 WeakPolarHBondContact O-CG2 3.19Å; N92-I94 PolarHBondContact O-N 3.35Å; N92-I94 VanDerWaalsContact O-N 3.13Å
95	L	91.4	Very high	92	Very high	23 Å²	23	60.3 Å²	60.3	12%	0.12	31%	0.313	C	S	.	.	S	Bend	trans	-78.7	143.2	177.6	-62.9	-170.8	0	0	0	110.5	L89 I90 Q99 H156	L89-L95 HydrophobicContact CB-CD2 3.93Å; L89-L95 HydrophobicContact CB-CG 4.3Å; I90-L95 HydrophobicContact CG1-CD1 3.61Å; L95-Q99 HydrophobicContact CB-CB 3.88Å; L95-Q99 HydrophobicContact CD1-CB 4.41Å; L95-Q99 HydrophobicContact CD2-CB 4.23Å; L95-Q99 HydrophobicContact CG-CB 4.4Å; L95-H156 VanDerWaalsContact CD2-CD2 3.49Å; L95-H156 WeakPolarHBondContact CD2-CD2 3.49Å; L95-H156 WeakPolarHBondContact CD2-NE2 3.3Å
96	S	92.9	Very high	92	Very high	54 Å²	54	57 Å²	57	38%	0.378	30%	0.299	S	S	.	.			trans	-69.1	164.7	168.3	69.7	0	0	0	0	111.4	E98 Q99 L100	S96-E98 PolarHBondContact O-N 3.48Å; S96-Q99 PolarHBondContact O-N 3.15Å; S96-Q99 VanDerWaalsContact O-N 3.12Å; S96-Q99 WeakPolarHBondContact OG-CG 3.33Å; S96-Q99 PolarHBondContact OG-N 3.32Å; S96-L100 WeakPolarHBondContact O-CB 3.32Å; S96-L100 PolarHBondContact O-N 3.4Å
97	D	91.7	Very high	92	Very high	125 Å²	125	57.4 Å²	57.4	67%	0.668	30%	0.3	S	S	*	.	H	α-helix	trans	-54.5	-39.2	175.3	-70.6	-7.3	0	0	0	112.5	L100 N101	D97-L100 PolarHBondContact O-N 3.07Å; D97-N101 PolarHBondContact O-N 3.26Å; D97-N101 PolarHBondContact O-ND2 2.98Å
98	E	94.1	Very high	92	Very high	136 Å²	136	61.6 Å²	61.6	64%	0.636	32%	0.32	S	S	*	.	H	α-helix	trans	-66.2	-45.8	176.8	-176.9	-179.7	-169	0	0	112	S96 L100 N101 H102	S96-E98 PolarHBondContact O-N 3.48Å; E98-L100 VanDerWaalsContact C-N 3.3Å; E98-L100 PolarHBondContact O-N 3.06Å; E98-N101 WeakPolarHBondContact O-CB 3.27Å; E98-N101 PolarHBondContact O-N 3.4Å; E98-H102 PolarHBondContact O-CD2 3.33Å; E98-H102 PolarHBondContact O-N 3Å; E98-H102 VanDerWaalsContact O-N 3.13Å
99	Q	95	Very high	92.1	Very high	20 Å²	20	58.2 Å²	58.2	9%	0.093	30%	0.302	C	S	.	.	H	α-helix	trans	-63.4	-38.8	176.8	-73.2	171	-17.6	0	0	111.7	L95 S96 H102 A103 A152 H155 H156	L95-Q99 HydrophobicContact CB-CB 3.88Å; L95-Q99 HydrophobicContact CD1-CB 4.41Å; L95-Q99 HydrophobicContact CD2-CB 4.23Å; L95-Q99 HydrophobicContact CG-CB 4.4Å; S96-Q99 PolarHBondContact O-N 3.15Å; S96-Q99 VanDerWaalsContact O-N 3.12Å; S96-Q99 WeakPolarHBondContact OG-CG 3.33Å; S96-Q99 PolarHBondContact OG-N 3.32Å; Q99-H102 PolarHBondContact O-N 3.08Å; Q99-A103 PolarHBondContact O-N 3.14Å; Q99-A103 VanDerWaalsContact O-N 3.08Å; Q99-A152 WeakPolarHBondContact CB-O 3.46Å; Q99-A152 WeakPolarHBondContact O-CB 3.42Å; Q99-H155 PolarHBondContact NE2-CD2 2.82Å; Q99-H156 PolarHBondContact NE2-NE2 3.4Å; Q99-H156 PolarHBondContact OE1-NE2 2.88Å
100	L	92.4	Very high	92.2	Very high	30 Å²	30	58.4 Å²	58.4	16%	0.157	30%	0.304	C	S	.	.	H	α-helix	trans	-66.3	-39.1	176.6	-170.2	62.8	0	0	0	111.4	L38 S96 D97 E98 H102 A103 Y104	L38-L100 HydrophobicContact CD1-CD1 3.55Å; S96-L100 WeakPolarHBondContact O-CB 3.32Å; S96-L100 PolarHBondContact O-N 3.4Å; D97-L100 PolarHBondContact O-N 3.07Å; E98-L100 VanDerWaalsContact C-N 3.3Å; E98-L100 PolarHBondContact O-N 3.06Å; L100-H102 VanDerWaalsContact C-N 3.32Å; L100-H102 PolarHBondContact O-N 3.33Å; L100-A103 WeakPolarHBondContact O-CB 3.41Å; L100-A103 PolarHBondContact O-N 3.06Å; L100-A103 VanDerWaalsContact O-N 3.1Å; L100-Y104 HydrophobicContact CD1-CE1 4.34Å; L100-Y104 HydrophobicContact CD1-CE2 4.4Å; L100-Y104 HydrophobicContact CD2-CE2 4.02Å; L100-Y104 WeakPolarHBondContact CD2-OH 3.5Å; L100-Y104 HydrophobicContact CG-CD2 4.38Å; L100-Y104 HydrophobicContact CG-CE1 4.41Å; L100-Y104 HydrophobicContact CG-CE2 3.62Å; L100-Y104 WeakPolarHBondContact O-CD2 3.4Å; L100-Y104 PolarHBondContact O-N 3.09Å
101	N	93.2	Very high	92.3	Very high	99 Å²	99	60.2 Å²	60.2	53%	0.529	31%	0.312	S	S	.	.	H	α-helix	trans	-60.5	-40.3	173.1	-70.4	-26.7	0	0	0	112.3	D97 E98 A103 Y104 E105	D97-N101 PolarHBondContact O-N 3.26Å; D97-N101 PolarHBondContact O-ND2 2.98Å; E98-N101 WeakPolarHBondContact O-CB 3.27Å; E98-N101 PolarHBondContact O-N 3.4Å; N101-A103 VanDerWaalsContact C-N 3.32Å; N101-A103 PolarHBondContact O-N 3.33Å; N101-Y104 PolarHBondContact O-N 3.08Å; N101-E105 PolarHBondContact O-N 2.93Å
102	H	95.7	Very high	92.5	Very high	42 Å²	42	60.6 Å²	60.6	19%	0.194	31%	0.308	C	S	.	.	H	α-helix	trans	-65.2	-35.1	173.4	-70.1	-49.5	0	0	0	112.8	E98 Q99 L100 E105 F106 E151 A152	E98-H102 PolarHBondContact O-CD2 3.33Å; E98-H102 PolarHBondContact O-N 3Å; E98-H102 VanDerWaalsContact O-N 3.13Å; Q99-H102 PolarHBondContact O-N 3.08Å; L100-H102 VanDerWaalsContact C-N 3.32Å; L100-H102 PolarHBondContact O-N 3.33Å; H102-E105 IonicContact ND1-OE2 3.73Å; H102-E105 PolarHBondContact O-N 3.43Å; H102-F106 WeakPolarHBondContact O-CB 3.36Å; H102-F106 PolarHBondContact O-N 3.38Å; H102-E151 HydrophobicContact CB-CB 4.22Å; H102-A152 HydrophobicContact CB-CB 3.86Å
103	A	92.7	Very high	92.8	Very high	2 Å²	2	57.2 Å²	57.2	2%	0.017	29%	0.29	C	S	.	.	H	α-helix	trans	-65.8	-37.7	173.5	0	0	0	0	0	112.1	I90 Q99 L100 N101 F106 H107 A152	I90-A103 HydrophobicContact CD1-CB 3.85Å; I90-A103 HydrophobicContact CG1-CB 4.33Å; Q99-A103 PolarHBondContact O-N 3.14Å; Q99-A103 VanDerWaalsContact O-N 3.08Å; L100-A103 WeakPolarHBondContact O-CB 3.41Å; L100-A103 PolarHBondContact O-N 3.06Å; L100-A103 VanDerWaalsContact O-N 3.1Å; N101-A103 VanDerWaalsContact C-N 3.32Å; N101-A103 PolarHBondContact O-N 3.33Å; A103-F106 PolarHBondContact O-N 3.31Å; A103-H107 PolarHBondContact O-N 2.99Å; A103-H107 VanDerWaalsContact O-N 3.14Å; A103-A152 HydrophobicContact CB-CB 4.18Å
104	Y	91.5	Very high	93.2	Very high	44 Å²	44	50.3 Å²	50.3	17%	0.173	25%	0.253	C	S	.	.	H	α-helix	trans	-64.9	-45.8	171.6	-63.3	-39.3	0	0	0	112	L38 P39 I42 L100 N101 F106 H107 E108	L38-Y104 HydrophobicContact CD1-CE1 3.83Å; L38-Y104 HydrophobicContact CG-CE1 4.34Å; P39-Y104 HydrophobicContact CG-CD1 4.23Å; P39-Y104 HydrophobicContact CG-CE1 4.06Å; I42-Y104 HydrophobicContact CD1-CD1 3.82Å; I42-Y104 HydrophobicContact CD1-CE1 4.23Å; L100-Y104 HydrophobicContact CD1-CE1 4.34Å; L100-Y104 HydrophobicContact CD1-CE2 4.4Å; L100-Y104 HydrophobicContact CD2-CE2 4.02Å; L100-Y104 WeakPolarHBondContact CD2-OH 3.5Å; L100-Y104 HydrophobicContact CG-CD2 4.38Å; L100-Y104 HydrophobicContact CG-CE1 4.41Å; L100-Y104 HydrophobicContact CG-CE2 3.62Å; L100-Y104 WeakPolarHBondContact O-CD2 3.4Å; L100-Y104 PolarHBondContact O-N 3.09Å; N101-Y104 PolarHBondContact O-N 3.08Å; Y104-F106 VanDerWaalsContact C-N 3.27Å; Y104-F106 PolarHBondContact O-N 2.92Å; Y104-H107 WeakPolarHBondContact O-CB 3.44Å; Y104-H107 PolarHBondContact O-N 3.19Å; Y104-H107 VanDerWaalsContact O-N 3.11Å; Y104-E108 WeakPolarHBondContact O-CG 3.32Å; Y104-E108 PolarHBondContact O-N 3.19Å
105	E	94.4	Very high	93.4	Very high	82 Å²	82	46.3 Å²	46.3	38%	0.383	23%	0.232	S	C	.	.	H	α-helix	trans	-60.8	-39.7	177.7	-166.7	-173.2	164.3	0	0	111.5	N101 H102 H107 E108 K109 T148	N101-E105 PolarHBondContact O-N 2.93Å; H102-E105 IonicContact ND1-OE2 3.73Å; H102-E105 PolarHBondContact O-N 3.43Å; E105-H107 PolarHBondContact O-N 3.34Å; E105-E108 PolarHBondContact O-N 3.28Å; E105-K109 HydrophobicContact CG-CD 4.49Å; E105-K109 WeakPolarHBondContact O-CB 3.29Å; E105-K109 VanDerWaalsContact O-CG 3.28Å; E105-K109 WeakPolarHBondContact O-CG 3.36Å; E105-K109 PolarHBondContact O-N 3.05Å; E105-K109 WeakPolarHBondContact OE1-CE 3.09Å; E105-K109 IonicContact OE1-NZ 2.89Å; E105-K109 PolarHBondContact OE1-NZ 3.24Å; E105-T148 HydrophobicContact CB-CG2 4.13Å; E105-T148 HydrophobicContact CG-CG2 3.86Å; E105-T148 WeakPolarHBondContact OE2-CG2 3.41Å
106	F	94.8	Very high	93.5	Very high	11 Å²	11	45.2 Å²	45.2	5%	0.048	23%	0.226	C	C	.	.	H	α-helix	trans	-58.7	-46.2	173.4	166.2	-100	0	0	0	112.1	F46 H102 A103 Y104 K109 C110 A145 T148 L149	F46-F106 AromaticContact CE2-CE1 3.79Å; F46-F106 HydrophobicContact CE2-CE1 3.79Å; F46-F106 AromaticContact CZ-CE1 3.42Å; F46-F106 HydrophobicContact CZ-CE1 3.42Å; F46-F106 VanDerWaalsContact CZ-CE1 3.42Å; F46-F106 AromaticContact CZ-CZ 3.76Å; F46-F106 HydrophobicContact CZ-CZ 3.76Å; H102-F106 WeakPolarHBondContact O-CB 3.36Å; H102-F106 PolarHBondContact O-N 3.38Å; A103-F106 PolarHBondContact O-N 3.31Å; Y104-F106 VanDerWaalsContact C-N 3.27Å; Y104-F106 PolarHBondContact O-N 2.92Å; F106-K109 PolarHBondContact O-N 3.49Å; F106-C110 WeakPolarHBondContact CZ-SG 3.31Å; F106-C110 PolarHBondContact O-N 3.37Å; F106-C110 PolarHBondContact O-SG 2.9Å; F106-A145 HydrophobicContact CD2-CB 4.05Å; F106-A145 VanDerWaalsContact CD2-O 3.25Å; F106-A145 WeakPolarHBondContact CD2-O 3.4Å; F106-A145 HydrophobicContact CE2-CB 4.27Å; F106-T148 WeakPolarHBondContact CA-OG1 3.39Å; F106-L149 HydrophobicContact CD1-CD1 4.19Å; F106-L149 HydrophobicContact CD2-CB 3.67Å; F106-L149 HydrophobicContact CD2-CD1 4.48Å; F106-L149 HydrophobicContact CD2-CG 4.44Å; F106-L149 HydrophobicContact CE1-CD1 4.32Å; F106-L149 HydrophobicContact CE2-CB 3.97Å; F106-L149 HydrophobicContact CE2-CD2 4.02Å; F106-L149 HydrophobicContact CE2-CG 4.4Å; F106-L149 HydrophobicContact CG-CB 4.06Å; F106-L149 HydrophobicContact CG-CD1 4.27Å; F106-L149 HydrophobicContact CZ-CD1 4.44Å; F106-L149 HydrophobicContact CZ-CD2 4.17Å
107	H	92	Very high	93.6	Very high	8 Å²	8	43 Å²	43	4%	0.037	21%	0.211	C	C	.	.	H	α-helix	trans	-62.7	-45.7	179.1	-179.5	-113.8	0	0	0	112.4	I42 A103 Y104 E105 K109 C110 H111 L207 F208	I42-H107 HydrophobicContact CD1-CB 3.66Å; I42-H107 HydrophobicContact CG1-CB 3.55Å; A103-H107 PolarHBondContact O-N 2.99Å; A103-H107 VanDerWaalsContact O-N 3.14Å; Y104-H107 WeakPolarHBondContact O-CB 3.44Å; Y104-H107 PolarHBondContact O-N 3.19Å; Y104-H107 VanDerWaalsContact O-N 3.11Å; E105-H107 PolarHBondContact O-N 3.34Å; H107-K109 VanDerWaalsContact C-N 3.3Å; H107-K109 PolarHBondContact O-N 3Å; H107-C110 WeakPolarHBondContact O-CA 3.32Å; H107-C110 VanDerWaalsContact O-CB 3.3Å; H107-C110 WeakPolarHBondContact O-CB 3.41Å; H107-C110 PolarHBondContact O-N 2.8Å; H107-C110 VanDerWaalsContact O-N 3.09Å; H107-H111 PolarHBondContact O-N 2.91Å; H107-L207 PolarHBondContact NE2-O 3.2Å; H107-F208 PolarHBondContact CE1-OXT 3Å; H107-F208 WeakPolarHBondContact NE2-CA 3.25Å; H107-F208 PolarHBondContact NE2-OXT 3.33Å
108	E	92.1	Very high	93.7	Very high	105 Å²	105	37 Å²	37	49%	0.491	18%	0.179	S	C	.	.	H	α-helix	trans	-60.9	-38.3	173.6	-71.1	-63.8	140.1	0	0	112.1	Y104 E105 H111 Q112	Y104-E108 WeakPolarHBondContact O-CG 3.32Å; Y104-E108 PolarHBondContact O-N 3.19Å; E105-E108 PolarHBondContact O-N 3.28Å; E108-H111 WeakPolarHBondContact O-CB 3.26Å; E108-H111 PolarHBondContact O-N 3.33Å; E108-Q112 WeakPolarHBondContact O-CG 3.35Å; E108-Q112 PolarHBondContact O-N 3.09Å
109	K	95	Very high	93.6	Very high	19 Å²	19	32.6 Å²	32.6	8%	0.083	16%	0.157	C	C	.	.	H	α-helix	trans	-70.1	-33.3	174.9	-71.7	-178.9	-169	-68.3	0	112	E105 F106 H107 H111 Q112 I113 T141 E144 A145 T148	E105-K109 HydrophobicContact CG-CD 4.49Å; E105-K109 WeakPolarHBondContact O-CB 3.29Å; E105-K109 VanDerWaalsContact O-CG 3.28Å; E105-K109 WeakPolarHBondContact O-CG 3.36Å; E105-K109 PolarHBondContact O-N 3.05Å; E105-K109 WeakPolarHBondContact OE1-CE 3.09Å; E105-K109 IonicContact OE1-NZ 2.89Å; E105-K109 PolarHBondContact OE1-NZ 3.24Å; F106-K109 PolarHBondContact O-N 3.49Å; H107-K109 VanDerWaalsContact C-N 3.3Å; H107-K109 PolarHBondContact O-N 3Å; K109-H111 VanDerWaalsContact C-N 3.34Å; K109-Q112 PolarHBondContact O-N 2.87Å; K109-I113 WeakPolarHBondContact O-CB 3.35Å; K109-I113 WeakPolarHBondContact O-CD1 3.47Å; K109-I113 WeakPolarHBondContact O-CG1 3.19Å; K109-I113 PolarHBondContact O-N 3.35Å; K109-T141 HydrophobicContact CB-CG2 4.26Å; K109-T141 HydrophobicContact CG-CG2 4.47Å; K109-E144 VanDerWaalsContact CD-C 3.47Å; K109-E144 HydrophobicContact CD-CB 3.61Å; K109-E144 VanDerWaalsContact CE-CB 3.49Å; K109-E144 IonicContact NZ-OE2 3.81Å; K109-E144 PolarHBondContact NZ-OE2 2.93Å; K109-A145 HydrophobicContact CB-CB 3.78Å; K109-A145 HydrophobicContact CD-CB 4.29Å; K109-T148 HydrophobicContact CD-CG2 4.37Å
110	C	94.2	Very high	93.5	Very high	23 Å²	23	34.1 Å²	34.1	16%	0.155	17%	0.165	C	C	.	.	H	α-helix	trans	-60.7	-42.8	170.5	-76.6	0	0	0	0	111.7	F106 H107 Q112 I113 A114 F208	F106-C110 WeakPolarHBondContact CZ-SG 3.31Å; F106-C110 PolarHBondContact O-N 3.37Å; F106-C110 PolarHBondContact O-SG 2.9Å; H107-C110 WeakPolarHBondContact O-CA 3.32Å; H107-C110 VanDerWaalsContact O-CB 3.3Å; H107-C110 WeakPolarHBondContact O-CB 3.41Å; H107-C110 PolarHBondContact O-N 2.8Å; H107-C110 VanDerWaalsContact O-N 3.09Å; C110-Q112 PolarHBondContact O-N 2.85Å; C110-I113 PolarHBondContact O-N 3.39Å; C110-A114 PolarHBondContact O-N 2.91Å; C110-F208 HydrophobicContact CB-CD1 4.02Å; C110-F208 HydrophobicContact CB-CE1 3.94Å
111	H	92.1	Very high	93.5	Very high	46 Å²	46	33.7 Å²	33.7	21%	0.213	17%	0.168	C	C	.	.	H	α-helix	trans	-55.9	-50.8	171.9	-171.3	88.6	0	0	0	111.3	H107 E108 K109 I113 A114 E115 F208	H107-H111 PolarHBondContact O-N 2.91Å; E108-H111 WeakPolarHBondContact O-CB 3.26Å; E108-H111 PolarHBondContact O-N 3.33Å; K109-H111 VanDerWaalsContact C-N 3.34Å; H111-I113 VanDerWaalsContact C-N 3.34Å; H111-I113 PolarHBondContact O-N 3.03Å; H111-A114 WeakPolarHBondContact O-CB 3.42Å; H111-A114 PolarHBondContact O-N 3.3Å; H111-E115 PolarHBondContact O-N 3.1Å; H111-F208 HydrophobicContact CB-CB 3.8Å; H111-F208 HydrophobicContact CB-CD1 4.46Å; H111-F208 HydrophobicContact CB-CG 4.34Å; H111-F208 WeakPolarHBondContact ND1-CB 3.49Å
112	Q	93	Very high	93.4	Very high	65 Å²	65	31.7 Å²	31.7	30%	0.304	15%	0.153	S	C	.	.	H	α-helix	trans	-61.6	-39.1	179.1	-70	173.1	51.7	0	0	112.7	E108 K109 C110 E115 I116 T141	E108-Q112 WeakPolarHBondContact O-CG 3.35Å; E108-Q112 PolarHBondContact O-N 3.09Å; K109-Q112 PolarHBondContact O-N 2.87Å; C110-Q112 PolarHBondContact O-N 2.85Å; Q112-E115 PolarHBondContact O-N 2.91Å; Q112-I116 WeakPolarHBondContact O-CD1 3.42Å; Q112-I116 WeakPolarHBondContact O-CG1 3.13Å; Q112-I116 PolarHBondContact O-N 2.94Å; Q112-T141 HydrophobicContact CB-CG2 3.91Å
113	I	95.5	Very high	92.7	Very high	32 Å²	32	34.5 Å²	34.5	16%	0.164	18%	0.175	C	C	.	.	H	α-helix	trans	-61.6	-46.6	175.6	-71.5	158.9	0	0	0	110.3	K109 C110 H111 E115 I116 A117 L138 T141 M142 A145	K109-I113 WeakPolarHBondContact O-CB 3.35Å; K109-I113 WeakPolarHBondContact O-CD1 3.47Å; K109-I113 WeakPolarHBondContact O-CG1 3.19Å; K109-I113 PolarHBondContact O-N 3.35Å; C110-I113 PolarHBondContact O-N 3.39Å; H111-I113 VanDerWaalsContact C-N 3.34Å; H111-I113 PolarHBondContact O-N 3.03Å; I113-E115 VanDerWaalsContact C-N 3.31Å; I113-E115 PolarHBondContact O-N 3.33Å; I113-I116 PolarHBondContact O-N 3.3Å; I113-A117 VanDerWaalsContact O-CB 3.24Å; I113-A117 WeakPolarHBondContact O-CB 3.46Å; I113-A117 PolarHBondContact O-N 2.95Å; I113-L138 HydrophobicContact CG2-CD1 3.98Å; I113-T141 HydrophobicContact CD1-CG2 4.4Å; I113-T141 HydrophobicContact CG1-CG2 3.74Å; I113-M142 HydrophobicContact CD1-CB 4.37Å; I113-M142 HydrophobicContact CD1-CG 3.88Å; I113-M142 HydrophobicContact CG1-CG 3.92Å; I113-M142 HydrophobicContact CG2-CG 4.12Å; I113-A145 HydrophobicContact CD1-CB 3.65Å
114	A	94.2	Very high	92.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-46.7	177.5	0	0	0	0	0	110.8	C110 H111 A117 L118 L199 M203 F208	C110-A114 PolarHBondContact O-N 2.91Å; H111-A114 WeakPolarHBondContact O-CB 3.42Å; H111-A114 PolarHBondContact O-N 3.3Å; A114-A117 PolarHBondContact O-N 3.41Å; A114-L118 WeakPolarHBondContact O-CB 3.48Å; A114-L118 VanDerWaalsContact O-CG 3.29Å; A114-L118 WeakPolarHBondContact O-CG 3.49Å; A114-L118 PolarHBondContact O-N 2.94Å; A114-L199 HydrophobicContact CB-CB 4.42Å; A114-L199 HydrophobicContact CB-CD2 3.92Å; A114-M203 HydrophobicContact CB-CG 4.31Å; A114-M203 HydrophobicContact CB-SD 4.08Å; A114-F208 HydrophobicContact CB-CD2 4.27Å; A114-F208 HydrophobicContact CB-CE1 4.28Å; A114-F208 HydrophobicContact CB-CE2 3.64Å; A114-F208 HydrophobicContact CB-CZ 3.66Å
115	E	93.1	Very high	91	Very high	6 Å²	6	45.8 Å²	45.8	3%	0.028	22%	0.223	C	C	.	.	H	α-helix	trans	-60.4	-50.5	177.9	-172.2	177.4	-174.6	0	0	112.3	H111 Q112 I113 A117 L118 R119 L127 M128	H111-E115 PolarHBondContact O-N 3.1Å; Q112-E115 PolarHBondContact O-N 2.91Å; I113-E115 VanDerWaalsContact C-N 3.31Å; I113-E115 PolarHBondContact O-N 3.33Å; E115-A117 PolarHBondContact O-N 3.42Å; E115-L118 PolarHBondContact O-N 2.71Å; E115-R119 WeakPolarHBondContact O-CG 3.19Å; E115-R119 PolarHBondContact O-N 3.16Å; E115-R119 IonicContact OE1-CZ 3.86Å; E115-R119 VanDerWaalsContact OE1-CZ 3.26Å; E115-R119 IonicContact OE1-NE 2.79Å; E115-R119 PolarHBondContact OE1-NE 3.38Å; E115-R119 VanDerWaalsContact OE1-NE 3.12Å; E115-R119 IonicContact OE1-NH2 3.73Å; E115-R119 PolarHBondContact OE1-NH2 2.87Å; E115-L127 HydrophobicContact CG-CB 4.05Å; E115-L127 HydrophobicContact CG-CD1 4.26Å; E115-L127 HydrophobicContact CG-CD2 4.42Å; E115-L127 HydrophobicContact CG-CG 4.47Å; E115-M128 WeakPolarHBondContact OE1-CA 3.48Å; E115-M128 WeakPolarHBondContact OE1-CB 3.29Å; E115-M128 PolarHBondContact OE1-N 2.89Å; E115-M128 VanDerWaalsContact OE1-O 3.06Å
116	I	94.6	Very high	89.6	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-62.8	-45.4	-179	-63.5	158	0	0	0	110.3	Q112 I113 L118 R119 L120 V131 P133 K137 L138	Q112-I116 WeakPolarHBondContact O-CD1 3.42Å; Q112-I116 WeakPolarHBondContact O-CG1 3.13Å; Q112-I116 PolarHBondContact O-N 2.94Å; I113-I116 PolarHBondContact O-N 3.3Å; I116-L118 VanDerWaalsContact C-N 3.32Å; I116-L118 PolarHBondContact O-N 3.47Å; I116-R119 PolarHBondContact O-N 2.8Å; I116-L120 HydrophobicContact CG2-CD1 3.96Å; I116-L120 HydrophobicContact CG2-CG 4.37Å; I116-L120 VanDerWaalsContact O-CG 3.31Å; I116-L120 WeakPolarHBondContact O-CG 3.27Å; I116-L120 PolarHBondContact O-N 3.47Å; I116-V131 HydrophobicContact CD1-CG1 4.39Å; I116-V131 HydrophobicContact CG1-CG1 3.75Å; I116-P133 HydrophobicContact CG2-CB 4.49Å; I116-K137 HydrophobicContact CD1-CG 3.91Å; I116-L138 HydrophobicContact CB-CD1 4.14Å; I116-L138 HydrophobicContact CG2-CB 3.72Å; I116-L138 HydrophobicContact CG2-CD1 4.05Å; I116-L138 HydrophobicContact CG2-CG 4.4Å
117	A	95.1	Very high	88.3	Confident	7 Å²	7	54.4 Å²	54.4	6%	0.058	25%	0.254	C	S	.	.	H	α-helix	trans	-60.1	-42.6	179.9	0	0	0	0	0	111.8	I113 A114 E115 L120 G121 L138 F182 L199	I113-A117 VanDerWaalsContact O-CB 3.24Å; I113-A117 WeakPolarHBondContact O-CB 3.46Å; I113-A117 PolarHBondContact O-N 2.95Å; A114-A117 PolarHBondContact O-N 3.41Å; E115-A117 PolarHBondContact O-N 3.42Å; A117-L120 PolarHBondContact O-N 3.43Å; A117-G121 PolarHBondContact O-N 2.76Å; A117-L138 HydrophobicContact CB-CD1 4.43Å; A117-F182 HydrophobicContact CB-CE1 4.29Å; A117-F182 HydrophobicContact CB-CZ 3.97Å; A117-L199 HydrophobicContact CB-CD1 4.08Å
118	L	94.1	Very high	87.1	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-71.3	-36	178.9	-72.7	169.1	0	0	0	112.9	A114 E115 I116 L120 G121 R122 L127 Y196 L199 E200 M203	A114-L118 WeakPolarHBondContact O-CB 3.48Å; A114-L118 VanDerWaalsContact O-CG 3.29Å; A114-L118 WeakPolarHBondContact O-CG 3.49Å; A114-L118 PolarHBondContact O-N 2.94Å; E115-L118 PolarHBondContact O-N 2.71Å; I116-L118 VanDerWaalsContact C-N 3.32Å; I116-L118 PolarHBondContact O-N 3.47Å; L118-L120 VanDerWaalsContact C-N 3.33Å; L118-L120 PolarHBondContact O-N 3.46Å; L118-G121 PolarHBondContact O-N 3.37Å; L118-R122 CarbonylContact O-C 3.54Å; L118-R122 VanDerWaalsContact O-C 3.26Å; L118-R122 VanDerWaalsContact O-CA 3.29Å; L118-R122 WeakPolarHBondContact O-CA 3.37Å; L118-R122 PolarHBondContact O-N 3.35Å; L118-L127 HydrophobicContact CB-CD1 3.87Å; L118-Y196 HydrophobicContact CD2-CD1 3.88Å; L118-Y196 HydrophobicContact CD2-CG 4.06Å; L118-L199 HydrophobicContact CD1-CB 4.03Å; L118-L199 HydrophobicContact CD2-CB 4.48Å; L118-L199 HydrophobicContact CG-CB 4.32Å; L118-E200 HydrophobicContact CD1-CG 3.72Å; L118-E200 HydrophobicContact CD2-CG 3.59Å; L118-E200 HydrophobicContact CG-CG 4.33Å; L118-M203 HydrophobicContact CD1-CE 3.02Å; L118-M203 HydrophobicContact CD1-SD 3.98Å; L118-M203 HydrophobicContact CG-CE 4.49Å
119	R	91.9	Very high	86	Confident	43 Å²	43	60.8 Å²	60.8	16%	0.162	30%	0.296	C	S	.	.	H	α-helix	trans	-62.2	-41.3	171.3	-72.2	176.1	-176.5	-108.5	-22.9	112.2	E115 I116 P123 L127 M128 V131 P133	E115-R119 WeakPolarHBondContact O-CG 3.19Å; E115-R119 PolarHBondContact O-N 3.16Å; E115-R119 IonicContact OE1-CZ 3.86Å; E115-R119 VanDerWaalsContact OE1-CZ 3.26Å; E115-R119 IonicContact OE1-NE 2.79Å; E115-R119 PolarHBondContact OE1-NE 3.38Å; E115-R119 VanDerWaalsContact OE1-NE 3.12Å; E115-R119 IonicContact OE1-NH2 3.73Å; E115-R119 PolarHBondContact OE1-NH2 2.87Å; I116-R119 PolarHBondContact O-N 2.8Å; R119-P123 WeakPolarHBondContact O-CA 3.29Å; R119-P123 WeakPolarHBondContact O-CB 3.47Å; R119-L127 HydrophobicContact CB-CD1 4.29Å; R119-L127 HydrophobicContact CG-CB 4.28Å; R119-L127 HydrophobicContact CG-CD1 3.36Å; R119-L127 HydrophobicContact CG-CG 4.42Å; R119-L127 PolarHBondContact NH2-O 2.91Å; R119-M128 VanDerWaalsContact NH2-C 3.29Å; R119-M128 PolarHBondContact NH2-O 3.33Å; R119-V131 PolarHBondContact NH1-O 3.42Å; R119-P133 HydrophobicContact CB-CB 3.44Å; R119-P133 VanDerWaalsContact CB-CB 3.44Å; R119-P133 HydrophobicContact CB-CG 3.7Å; R119-P133 HydrophobicContact CG-CB 4.29Å; R119-P133 HydrophobicContact CG-CG 4.42Å
120	L	93	Very high	85.1	Confident	52 Å²	52	63.8 Å²	63.8	27%	0.272	33%	0.332	S	S	.	.	H	α-helix	trans	-67.4	-42.2	179.2	-71.2	172.8	0	0	0	111.9	I116 A117 L118 P133 I135 L138 F182	I116-L120 HydrophobicContact CG2-CD1 3.96Å; I116-L120 HydrophobicContact CG2-CG 4.37Å; I116-L120 VanDerWaalsContact O-CG 3.31Å; I116-L120 WeakPolarHBondContact O-CG 3.27Å; I116-L120 PolarHBondContact O-N 3.47Å; A117-L120 PolarHBondContact O-N 3.43Å; L118-L120 VanDerWaalsContact C-N 3.33Å; L118-L120 PolarHBondContact O-N 3.46Å; L120-P133 HydrophobicContact CD2-CB 4Å; L120-P133 HydrophobicContact CG-CB 4.09Å; L120-I135 HydrophobicContact CD1-CG1 4.23Å; L120-L138 HydrophobicContact CD1-CB 4.24Å; L120-L138 HydrophobicContact CD1-CD2 3.96Å; L120-F182 HydrophobicContact CB-CD1 3.8Å; L120-F182 HydrophobicContact CB-CE1 3.84Å; L120-F182 HydrophobicContact CD1-CD1 4.24Å; L120-F182 HydrophobicContact CD1-CE1 4.14Å
121	G	92.2	Very high	84	Confident	21 Å²	21	64.5 Å²	64.5	22%	0.216	34%	0.335	C	S	.	.	H	α-helix	trans	-83.9	-43.9	-177.6	0	0	0	0	0	114.9	A117 L118 P123 Y196	A117-G121 PolarHBondContact O-N 2.76Å; L118-G121 PolarHBondContact O-N 3.37Å; G121-P123 VanDerWaalsContact C-CD 3.48Å; G121-P123 WeakPolarHBondContact O-CD 3.44Å; G121-Y196 VanDerWaalsContact CA-CZ 3.49Å; G121-Y196 VanDerWaalsContact CA-OH 3.31Å; G121-Y196 WeakPolarHBondContact CA-OH 3.49Å
122	R	90.3	Very high	83.5	Confident	57 Å²	57	70.7 Å²	70.7	22%	0.215	37%	0.365	C	S	.	.			trans	-126.5	64.5	-173.1	-65.6	-174.8	173.3	175.7	3	111.3	L118 K124 R125 E193 Y196 D197 E200	L118-R122 CarbonylContact O-C 3.54Å; L118-R122 VanDerWaalsContact O-C 3.26Å; L118-R122 VanDerWaalsContact O-CA 3.29Å; L118-R122 WeakPolarHBondContact O-CA 3.37Å; L118-R122 PolarHBondContact O-N 3.35Å; R122-K124 PolarHBondContact O-N 2.89Å; R122-R125 PolarHBondContact O-N 3.44Å; R122-E193 IonicContact CZ-OE2 3.92Å; R122-E193 IonicContact NE-OE2 3.52Å; R122-E193 PolarHBondContact NE-OE2 2.94Å; R122-E193 VanDerWaalsContact NE-OE2 3.13Å; R122-E193 PolarHBondContact NH2-O 3.12Å; R122-E193 IonicContact NH2-OE2 3.71Å; R122-E193 PolarHBondContact NH2-OE2 3.36Å; R122-Y196 HydrophobicContact CG-CD2 4.11Å; R122-Y196 HydrophobicContact CG-CG 4.45Å; R122-D197 IonicContact CZ-OD1 3.98Å; R122-D197 VanDerWaalsContact CZ-OD1 3.23Å; R122-D197 IonicContact NH1-OD1 2.77Å; R122-D197 PolarHBondContact NH1-OD1 3.27Å; R122-D197 IonicContact NH2-OD1 3.9Å; R122-D197 PolarHBondContact NH2-OD1 3.05Å; R122-E200 WeakPolarHBondContact CD-OE1 3.49Å; R122-E200 IonicContact CZ-OE2 3.26Å; R122-E200 VanDerWaalsContact NH1-CD 3.34Å; R122-E200 IonicContact NH1-OE1 3.77Å; R122-E200 IonicContact NH1-OE2 2.7Å; R122-E200 PolarHBondContact NH1-OE2 2.91Å
123	P	81.8	Confident	83.3	Confident	100 Å²	100	70.2 Å²	70.2	65%	0.649	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-15	-171.8	24	-35.5	0	0	0	115.5	R119 G121 R125	R119-P123 WeakPolarHBondContact O-CA 3.29Å; R119-P123 WeakPolarHBondContact O-CB 3.47Å; G121-P123 VanDerWaalsContact C-CD 3.48Å; G121-P123 WeakPolarHBondContact O-CD 3.44Å; P123-R125 VanDerWaalsContact C-N 3.25Å; P123-R125 PolarHBondContact O-N 2.85Å
124	K	78.3	Confident	83.3	Confident	213 Å²	213	71 Å²	71	93%	0.926	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-9.7	176.6	-66.7	-175.7	179.1	179.8	0	113.5	R122	R122-K124 PolarHBondContact O-N 2.89Å
125	R	69.4	Low	83.4	Confident	70 Å²	70	72.6 Å²	72.6	26%	0.264	38%	0.384	S	S	.	.	S	Bend	trans	-75.9	135.8	179.5	-171.3	177.2	158.6	123.7	2.2	110.7	R122 P123 L127 E200 D204	R122-R125 PolarHBondContact O-N 3.44Å; P123-R125 VanDerWaalsContact C-N 3.25Å; P123-R125 PolarHBondContact O-N 2.85Å; R125-L127 HydrophobicContact CB-CG 4.41Å; R125-L127 HydrophobicContact CG-CD2 4.26Å; R125-L127 HydrophobicContact CG-CG 4.12Å; R125-L127 PolarHBondContact O-N 3.42Å; R125-E200 WeakPolarHBondContact CD-OE1 3.36Å; R125-E200 VanDerWaalsContact NH1-CD 3.32Å; R125-E200 IonicContact NH1-OE1 3.12Å; R125-E200 IonicContact NH1-OE2 3.17Å; R125-D204 IonicContact CZ-OD1 2.65Å; R125-D204 IonicContact NH1-OD1 3.34Å; R125-D204 IonicContact NH1-OD2 2.94Å; R125-D204 IonicContact NH2-OD1 2.86Å; R125-D204 PolarHBondContact NH2-OD1 3.21Å
126	R	64.2	Low	83.6	Confident	241 Å²	241	76.4 Å²	76.4	91%	0.909	40%	0.404	S	S	*	.			trans	-74.3	107.2	170.2	-67.7	-166.3	-64	-99	0.7	108.8
127	L	69	Low	83.6	Confident	33 Å²	33	80 Å²	80	17%	0.173	42%	0.42	C	S	.	.			trans	-114.8	169.7	175.8	-68.6	168.5	0	0	0	109.6	E115 L118 R119 R125 M203	E115-L127 HydrophobicContact CG-CB 4.05Å; E115-L127 HydrophobicContact CG-CD1 4.26Å; E115-L127 HydrophobicContact CG-CD2 4.42Å; E115-L127 HydrophobicContact CG-CG 4.47Å; L118-L127 HydrophobicContact CB-CD1 3.87Å; R119-L127 HydrophobicContact CB-CD1 4.29Å; R119-L127 HydrophobicContact CG-CB 4.28Å; R119-L127 HydrophobicContact CG-CD1 3.36Å; R119-L127 HydrophobicContact CG-CG 4.42Å; R119-L127 PolarHBondContact NH2-O 2.91Å; R125-L127 HydrophobicContact CB-CG 4.41Å; R125-L127 HydrophobicContact CG-CD2 4.26Å; R125-L127 HydrophobicContact CG-CG 4.12Å; R125-L127 PolarHBondContact O-N 3.42Å; L127-M203 HydrophobicContact CD2-CE 4.06Å
128	M	66.4	Low	83.7	Confident	123 Å²	123	79.8 Å²	79.8	61%	0.606	42%	0.417	S	S	*	.			trans	-57	124.8	-173.6	-97.6	176.2	55.9	0	0	113	E115 R119 G130	E115-M128 WeakPolarHBondContact OE1-CA 3.48Å; E115-M128 WeakPolarHBondContact OE1-CB 3.29Å; E115-M128 PolarHBondContact OE1-N 2.89Å; E115-M128 VanDerWaalsContact OE1-O 3.06Å; R119-M128 VanDerWaalsContact NH2-C 3.29Å; R119-M128 PolarHBondContact NH2-O 3.33Å; M128-G130 PolarHBondContact O-N 3.33Å
129	P	69.7	Low	83.9	Confident	125 Å²	125	80.3 Å²	80.3	81%	0.812	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	142.9	179.7	25.1	-33.2	0	0	0	111.5
130	G	74.3	Confident	84.2	Confident	81 Å²	81	82.5 Å²	82.5	84%	0.835	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	117.4	-9.9	170.6	0	0	0	0	0	117.1	M128	M128-G130 PolarHBondContact O-N 3.33Å
131	V	72.7	Confident	84.4	Confident	38 Å²	38	80 Å²	80	23%	0.23	42%	0.419	C	S	.	.			trans	-107	110.4	175.9	-175	0	0	0	0	110.7	I116 R119 P133	I116-V131 HydrophobicContact CD1-CG1 4.39Å; I116-V131 HydrophobicContact CG1-CG1 3.75Å; R119-V131 PolarHBondContact NH1-O 3.42Å; V131-P133 VanDerWaalsContact O-CD 3.29Å; V131-P133 WeakPolarHBondContact O-CD 3.46Å
132	E	81.8	Confident	84.7	Confident	177 Å²	177	79.7 Å²	79.7	83%	0.827	41%	0.412	S	S	*	.			trans	-73.2	114.1	166.4	-73	-169.8	168.6	0	0	109.4	S134	E132-S134 PolarHBondContact O-N 3.49Å
133	P	87.8	Confident	85.1	Confident	55 Å²	55	81.8 Å²	81.8	36%	0.357	42%	0.423	S	S	.	.			trans	-76.8	120.2	-176.5	33.5	-36.2	0	0	0	110	I116 R119 L120 V131	I116-P133 HydrophobicContact CG2-CB 4.49Å; R119-P133 HydrophobicContact CB-CB 3.44Å; R119-P133 VanDerWaalsContact CB-CB 3.44Å; R119-P133 HydrophobicContact CB-CG 3.7Å; R119-P133 HydrophobicContact CG-CB 4.29Å; R119-P133 HydrophobicContact CG-CG 4.42Å; L120-P133 HydrophobicContact CD2-CB 4Å; L120-P133 HydrophobicContact CG-CB 4.09Å; V131-P133 VanDerWaalsContact O-CD 3.29Å; V131-P133 WeakPolarHBondContact O-CD 3.46Å
134	S	94.6	Very high	85.9	Confident	48 Å²	48	79.8 Å²	79.8	34%	0.336	41%	0.405	S	S	.	.			trans	-135.6	153.4	168.4	75.4	0	0	0	0	110.2	E132 D136 K137 L138	E132-S134 PolarHBondContact O-N 3.49Å; S134-D136 PolarHBondContact O-N 3.32Å; S134-K137 PolarHBondContact O-N 3.25Å; S134-K137 VanDerWaalsContact OG-CB 3.27Å; S134-K137 WeakPolarHBondContact OG-CB 3.3Å; S134-K137 PolarHBondContact OG-N 3.08Å; S134-L138 PolarHBondContact O-N 3.07Å
135	I	96.4	Very high	86.8	Confident	34 Å²	34	69.7 Å²	69.7	17%	0.174	36%	0.361	C	S	.	.	H	α-helix	trans	-59.7	-38.5	175.3	-71.1	167.4	0	0	0	110.4	L120 L138 I139 V178 V179 T183	L120-I135 HydrophobicContact CD1-CG1 4.23Å; I135-L138 WeakPolarHBondContact O-CB 3.36Å; I135-L138 PolarHBondContact O-N 2.84Å; I135-I139 HydrophobicContact CG2-CD1 3.71Å; I135-I139 HydrophobicContact CG2-CG1 4.4Å; I135-I139 WeakPolarHBondContact O-CD1 3.18Å; I135-I139 VanDerWaalsContact O-CG1 3.29Å; I135-I139 WeakPolarHBondContact O-CG1 3.06Å; I135-I139 PolarHBondContact O-N 3.11Å; I135-V178 HydrophobicContact CG2-CB 4.4Å; I135-V178 HydrophobicContact CG2-CG1 3.84Å; I135-V179 HydrophobicContact CD1-CG2 4.14Å; I135-V179 HydrophobicContact CG2-CG2 3.81Å; I135-T183 HydrophobicContact CD1-CG2 4.34Å
136	D	97.3	Very high	88.2	Confident	86 Å²	86	67.2 Å²	67.2	46%	0.46	35%	0.353	S	S	.	.	H	α-helix	trans	-67.8	-38.6	179.2	-61	-46.2	0	0	0	111.4	S134 I139 Q140 R175	S134-D136 PolarHBondContact O-N 3.32Å; D136-I139 PolarHBondContact O-N 3.4Å; D136-Q140 WeakPolarHBondContact O-CB 3.28Å; D136-Q140 PolarHBondContact O-N 3.38Å; D136-R175 IonicContact OD1-CZ 3.74Å; D136-R175 IonicContact OD1-NE 3.86Å; D136-R175 PolarHBondContact OD1-NE 2.88Å; D136-R175 IonicContact OD1-NH2 3.3Å; D136-R175 IonicContact OD2-NH2 3.74Å
137	K	95.9	Very high	89.8	Confident	76 Å²	76	60.6 Å²	60.6	33%	0.33	33%	0.333	S	S	.	.	H	α-helix	trans	-64.8	-41.3	172.7	-178.4	58.4	-178.5	173.3	0	111.6	I116 S134 Q140 T141	I116-K137 HydrophobicContact CD1-CG 3.91Å; S134-K137 PolarHBondContact O-N 3.25Å; S134-K137 VanDerWaalsContact OG-CB 3.27Å; S134-K137 WeakPolarHBondContact OG-CB 3.3Å; S134-K137 PolarHBondContact OG-N 3.08Å; K137-Q140 PolarHBondContact O-N 3.35Å; K137-T141 PolarHBondContact O-N 3.47Å; K137-T141 PolarHBondContact O-OG1 3.2Å; K137-T141 VanDerWaalsContact O-OG1 3.1Å
138	L	97.3	Very high	91.1	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-58.2	-50.6	174.9	-179.4	61.9	0	0	0	111.2	I113 I116 A117 L120 S134 I135 Q140 T141 M142 V178 F182	I113-L138 HydrophobicContact CG2-CD1 3.98Å; I116-L138 HydrophobicContact CB-CD1 4.14Å; I116-L138 HydrophobicContact CG2-CB 3.72Å; I116-L138 HydrophobicContact CG2-CD1 4.05Å; I116-L138 HydrophobicContact CG2-CG 4.4Å; A117-L138 HydrophobicContact CB-CD1 4.43Å; L120-L138 HydrophobicContact CD1-CB 4.24Å; L120-L138 HydrophobicContact CD1-CD2 3.96Å; S134-L138 PolarHBondContact O-N 3.07Å; I135-L138 WeakPolarHBondContact O-CB 3.36Å; I135-L138 PolarHBondContact O-N 2.84Å; L138-Q140 VanDerWaalsContact C-N 3.31Å; L138-Q140 PolarHBondContact O-N 3.46Å; L138-T141 PolarHBondContact O-N 3.23Å; L138-M142 HydrophobicContact CD1-CG 4.32Å; L138-M142 HydrophobicContact CD1-SD 4.45Å; L138-M142 HydrophobicContact CG-CE 4.02Å; L138-M142 HydrophobicContact CG-SD 4.35Å; L138-M142 WeakPolarHBondContact O-CB 3.34Å; L138-M142 VanDerWaalsContact O-CG 3.29Å; L138-M142 WeakPolarHBondContact O-CG 2.98Å; L138-M142 PolarHBondContact O-N 3.36Å; L138-V178 HydrophobicContact CD2-CG1 3.99Å; L138-F182 HydrophobicContact CD2-CD2 4.23Å; L138-F182 HydrophobicContact CD2-CE1 4.23Å; L138-F182 HydrophobicContact CD2-CE2 3.4Å; L138-F182 VanDerWaalsContact CD2-CE2 3.4Å; L138-F182 HydrophobicContact CD2-CZ 3.39Å
139	I	98.4	Very high	92.6	Very high	12 Å²	12	53.8 Å²	53.8	6%	0.062	30%	0.299	C	S	.	.	H	α-helix	trans	-58.6	-45.4	178.5	-69.7	161.7	0	0	0	110.8	I135 D136 M142 K143 C173 R175 V178	I135-I139 HydrophobicContact CG2-CD1 3.71Å; I135-I139 HydrophobicContact CG2-CG1 4.4Å; I135-I139 WeakPolarHBondContact O-CD1 3.18Å; I135-I139 VanDerWaalsContact O-CG1 3.29Å; I135-I139 WeakPolarHBondContact O-CG1 3.06Å; I135-I139 PolarHBondContact O-N 3.11Å; D136-I139 PolarHBondContact O-N 3.4Å; I139-M142 HydrophobicContact CG1-CE 4.23Å; I139-M142 PolarHBondContact O-N 2.78Å; I139-K143 HydrophobicContact CG2-CD 4.27Å; I139-K143 WeakPolarHBondContact O-CG 3.39Å; I139-K143 PolarHBondContact O-N 2.92Å; I139-C173 HydrophobicContact CG2-CB 4.36Å; I139-C173 WeakPolarHBondContact CG2-O 3.48Å; I139-R175 HydrophobicContact CD1-CB 3.9Å; I139-R175 HydrophobicContact CD1-CG 3.81Å; I139-V178 HydrophobicContact CD1-CB 4.13Å; I139-V178 HydrophobicContact CD1-CG1 4.38Å; I139-V178 HydrophobicContact CD1-CG2 4.42Å; I139-V178 HydrophobicContact CG1-CB 4.03Å; I139-V178 HydrophobicContact CG1-CG1 4.06Å; I139-V178 HydrophobicContact CG1-CG2 3.92Å
140	Q	97.9	Very high	94	Very high	89 Å²	89	48.9 Å²	48.9	42%	0.416	27%	0.266	S	S	.	.	H	α-helix	trans	-61.5	-49.8	179.2	-177.6	58	34	0	0	111.4	D136 K137 L138 M142 K143 E144	D136-Q140 WeakPolarHBondContact O-CB 3.28Å; D136-Q140 PolarHBondContact O-N 3.38Å; K137-Q140 PolarHBondContact O-N 3.35Å; L138-Q140 VanDerWaalsContact C-N 3.31Å; L138-Q140 PolarHBondContact O-N 3.46Å; Q140-M142 VanDerWaalsContact C-N 3.33Å; Q140-M142 PolarHBondContact O-N 3.18Å; Q140-K143 PolarHBondContact O-N 2.98Å; Q140-E144 WeakPolarHBondContact CG-OE1 3.32Å; Q140-E144 PolarHBondContact NE2-OE1 3.49Å; Q140-E144 WeakPolarHBondContact O-CG 3Å; Q140-E144 PolarHBondContact O-N 2.62Å
141	T	97.4	Very high	95.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.8	-37.7	179.1	-56.1	0	0	0	0	111.8	K109 Q112 I113 K137 L138 E144 A145	K109-T141 HydrophobicContact CB-CG2 4.26Å; K109-T141 HydrophobicContact CG-CG2 4.47Å; Q112-T141 HydrophobicContact CB-CG2 3.91Å; I113-T141 HydrophobicContact CD1-CG2 4.4Å; I113-T141 HydrophobicContact CG1-CG2 3.74Å; K137-T141 PolarHBondContact O-N 3.47Å; K137-T141 PolarHBondContact O-OG1 3.2Å; K137-T141 VanDerWaalsContact O-OG1 3.1Å; L138-T141 PolarHBondContact O-N 3.23Å; T141-E144 PolarHBondContact O-N 3.48Å; T141-A145 WeakPolarHBondContact O-CB 3.39Å; T141-A145 PolarHBondContact O-N 3.02Å
142	M	98.3	Very high	96.2	Very high	13 Å²	13	45.6 Å²	45.6	6%	0.064	23%	0.227	C	C	.	.	H	α-helix	trans	-61.6	-42.2	173.3	-72.4	-170.9	-58.8	0	0	112.7	I113 L138 I139 Q140 A145 N146 F172 V178	I113-M142 HydrophobicContact CD1-CB 4.37Å; I113-M142 HydrophobicContact CD1-CG 3.88Å; I113-M142 HydrophobicContact CG1-CG 3.92Å; I113-M142 HydrophobicContact CG2-CG 4.12Å; L138-M142 HydrophobicContact CD1-CG 4.32Å; L138-M142 HydrophobicContact CD1-SD 4.45Å; L138-M142 HydrophobicContact CG-CE 4.02Å; L138-M142 HydrophobicContact CG-SD 4.35Å; L138-M142 WeakPolarHBondContact O-CB 3.34Å; L138-M142 VanDerWaalsContact O-CG 3.29Å; L138-M142 WeakPolarHBondContact O-CG 2.98Å; L138-M142 PolarHBondContact O-N 3.36Å; I139-M142 HydrophobicContact CG1-CE 4.23Å; I139-M142 PolarHBondContact O-N 2.78Å; Q140-M142 VanDerWaalsContact C-N 3.33Å; Q140-M142 PolarHBondContact O-N 3.18Å; M142-A145 PolarHBondContact O-N 3.18Å; M142-N146 VanDerWaalsContact O-CG 3.3Å; M142-N146 PolarHBondContact O-N 2.98Å; M142-N146 PolarHBondContact O-ND2 3.38Å; M142-F172 HydrophobicContact SD-CD1 3.96Å; M142-F172 HydrophobicContact SD-CE1 3.63Å; M142-V178 HydrophobicContact CE-CG1 4.48Å; M142-V178 HydrophobicContact CE-CG2 3.76Å
143	K	98.3	Very high	96.9	Very high	102 Å²	102	37.2 Å²	37.2	44%	0.443	19%	0.187	S	C	.	.	H	α-helix	trans	-62.8	-44.7	176.4	-74.5	175.7	177.7	179.2	0	111.5	I139 Q140 N146 Q147 C173	I139-K143 HydrophobicContact CG2-CD 4.27Å; I139-K143 WeakPolarHBondContact O-CG 3.39Å; I139-K143 PolarHBondContact O-N 2.92Å; Q140-K143 PolarHBondContact O-N 2.98Å; K143-N146 PolarHBondContact O-N 2.82Å; K143-Q147 WeakPolarHBondContact O-CB 3.29Å; K143-Q147 PolarHBondContact O-N 3.23Å; K143-C173 HydrophobicContact CD-CB 4.46Å; K143-C173 HydrophobicContact CG-CB 3.72Å
144	E	98.3	Very high	97.4	Very high	58 Å²	58	37.7 Å²	37.7	27%	0.271	18%	0.184	S	C	.	.	H	α-helix	trans	-65.4	-38.4	178.2	-66.3	169.3	-173.2	0	0	112.1	K109 Q140 T141 Q147 T148	K109-E144 VanDerWaalsContact CD-C 3.47Å; K109-E144 HydrophobicContact CD-CB 3.61Å; K109-E144 VanDerWaalsContact CE-CB 3.49Å; K109-E144 IonicContact NZ-OE2 3.81Å; K109-E144 PolarHBondContact NZ-OE2 2.93Å; Q140-E144 WeakPolarHBondContact CG-OE1 3.32Å; Q140-E144 PolarHBondContact NE2-OE1 3.49Å; Q140-E144 WeakPolarHBondContact O-CG 3Å; Q140-E144 PolarHBondContact O-N 2.62Å; T141-E144 PolarHBondContact O-N 3.48Å; E144-Q147 PolarHBondContact O-N 2.98Å; E144-T148 WeakPolarHBondContact O-CB 3.25Å; E144-T148 VanDerWaalsContact O-CG2 3.3Å; E144-T148 WeakPolarHBondContact O-CG2 3.32Å; E144-T148 PolarHBondContact O-N 3.27Å; E144-T148 PolarHBondContact O-OG1 3.37Å
145	A	97.7	Very high	97.5	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-60.7	-50.7	173	0	0	0	0	0	110.5	F106 K109 I113 T141 M142 Q147 T148 L149	F106-A145 HydrophobicContact CD2-CB 4.05Å; F106-A145 VanDerWaalsContact CD2-O 3.25Å; F106-A145 WeakPolarHBondContact CD2-O 3.4Å; F106-A145 HydrophobicContact CE2-CB 4.27Å; K109-A145 HydrophobicContact CB-CB 3.78Å; K109-A145 HydrophobicContact CD-CB 4.29Å; I113-A145 HydrophobicContact CD1-CB 3.65Å; T141-A145 WeakPolarHBondContact O-CB 3.39Å; T141-A145 PolarHBondContact O-N 3.02Å; M142-A145 PolarHBondContact O-N 3.18Å; A145-Q147 VanDerWaalsContact C-N 3.26Å; A145-Q147 PolarHBondContact O-N 3.41Å; A145-T148 WeakPolarHBondContact CA-OG1 3.08Å; A145-T148 PolarHBondContact O-N 3.5Å; A145-T148 PolarHBondContact O-OG1 3.14Å; A145-L149 PolarHBondContact O-N 3.35Å
146	N	97.9	Very high	97.5	Very high	18 Å²	18	43.7 Å²	43.7	10%	0.096	21%	0.205	C	C	.	.	H	α-helix	trans	-61.8	-35.9	179.5	-69.7	-18.4	0	0	0	112.4	M142 K143 I150 F165 S169	M142-N146 VanDerWaalsContact O-CG 3.3Å; M142-N146 PolarHBondContact O-N 2.98Å; M142-N146 PolarHBondContact O-ND2 3.38Å; K143-N146 PolarHBondContact O-N 2.82Å; N146-I150 WeakPolarHBondContact O-CG1 3.49Å; N146-I150 PolarHBondContact O-N 3.24Å; N146-F165 HydrophobicContact CB-CE1 3.81Å; N146-F165 HydrophobicContact CB-CZ 4.08Å; N146-S169 VanDerWaalsContact CB-OG 3.27Å; N146-S169 WeakPolarHBondContact CB-OG 3.31Å; N146-S169 WeakPolarHBondContact ND2-CB 3.39Å; N146-S169 PolarHBondContact ND2-OG 2.96Å
147	Q	98.1	Very high	97.5	Very high	102 Å²	102	40.3 Å²	40.3	48%	0.477	19%	0.187	S	C	.	.	H	α-helix	trans	-66.8	-49	175.5	-172.5	62.2	43.7	0	0	111.5	K143 E144 A145 L149 I150 E151	K143-Q147 WeakPolarHBondContact O-CB 3.29Å; K143-Q147 PolarHBondContact O-N 3.23Å; E144-Q147 PolarHBondContact O-N 2.98Å; A145-Q147 VanDerWaalsContact C-N 3.26Å; A145-Q147 PolarHBondContact O-N 3.41Å; Q147-L149 VanDerWaalsContact C-N 3.3Å; Q147-L149 PolarHBondContact O-N 2.92Å; Q147-I150 WeakPolarHBondContact O-CB 3.49Å; Q147-I150 PolarHBondContact O-N 3.44Å; Q147-E151 HydrophobicContact CG-CG 4.44Å; Q147-E151 PolarHBondContact NE2-OE1 2.88Å; Q147-E151 WeakPolarHBondContact O-CG 3.45Å; Q147-E151 PolarHBondContact O-N 2.68Å
148	T	97.6	Very high	97.6	Very high	9 Å²	9	39.7 Å²	39.7	6%	0.055	19%	0.192	C	C	.	.	H	α-helix	trans	-61.3	-38.4	179.6	48	0	0	0	0	112	E105 F106 K109 E144 A145 I150 E151 A152	E105-T148 HydrophobicContact CB-CG2 4.13Å; E105-T148 HydrophobicContact CG-CG2 3.86Å; E105-T148 WeakPolarHBondContact OE2-CG2 3.41Å; F106-T148 WeakPolarHBondContact CA-OG1 3.39Å; K109-T148 HydrophobicContact CD-CG2 4.37Å; E144-T148 WeakPolarHBondContact O-CB 3.25Å; E144-T148 VanDerWaalsContact O-CG2 3.3Å; E144-T148 WeakPolarHBondContact O-CG2 3.32Å; E144-T148 PolarHBondContact O-N 3.27Å; E144-T148 PolarHBondContact O-OG1 3.37Å; A145-T148 WeakPolarHBondContact CA-OG1 3.08Å; A145-T148 PolarHBondContact O-N 3.5Å; A145-T148 PolarHBondContact O-OG1 3.14Å; T148-I150 VanDerWaalsContact C-N 3.34Å; T148-I150 PolarHBondContact O-N 3.39Å; T148-E151 PolarHBondContact O-N 2.89Å; T148-A152 PolarHBondContact O-N 3.21Å
149	L	97.3	Very high	97.6	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-43.4	172.2	-176	60.5	0	0	0	112.3	L82 A86 F106 A145 Q147 A152 V153 F165	L82-L149 HydrophobicContact CD2-CD2 3.84Å; L82-L149 HydrophobicContact CD2-CG 4.04Å; L82-L149 HydrophobicContact CG-CD2 4.26Å; A86-L149 HydrophobicContact CB-CD1 3.6Å; F106-L149 HydrophobicContact CD1-CD1 4.19Å; F106-L149 HydrophobicContact CD2-CB 3.67Å; F106-L149 HydrophobicContact CD2-CD1 4.48Å; F106-L149 HydrophobicContact CD2-CG 4.44Å; F106-L149 HydrophobicContact CE1-CD1 4.32Å; F106-L149 HydrophobicContact CE2-CB 3.97Å; F106-L149 HydrophobicContact CE2-CD2 4.02Å; F106-L149 HydrophobicContact CE2-CG 4.4Å; F106-L149 HydrophobicContact CG-CB 4.06Å; F106-L149 HydrophobicContact CG-CD1 4.27Å; F106-L149 HydrophobicContact CZ-CD1 4.44Å; F106-L149 HydrophobicContact CZ-CD2 4.17Å; A145-L149 PolarHBondContact O-N 3.35Å; Q147-L149 VanDerWaalsContact C-N 3.3Å; Q147-L149 PolarHBondContact O-N 2.92Å; L149-A152 PolarHBondContact O-N 2.75Å; L149-V153 WeakPolarHBondContact O-CG2 3.49Å; L149-V153 PolarHBondContact O-N 3.01Å; L149-F165 HydrophobicContact CD2-CE1 4.49Å; L149-F165 HydrophobicContact CD2-CE2 4.27Å; L149-F165 HydrophobicContact CD2-CZ 3.86Å
150	I	98	Very high	97.6	Very high	22 Å²	22	50 Å²	50	11%	0.113	24%	0.24	C	C	.	.	H	α-helix	trans	-65	-46.1	176.7	-74.6	-71.2	0	0	0	110.8	L82 N146 Q147 T148 A152 V153 K154 Q162 F165	L82-I150 HydrophobicContact CD2-CD1 3.58Å; L82-I150 HydrophobicContact CD2-CG1 4.21Å; N146-I150 WeakPolarHBondContact O-CG1 3.49Å; N146-I150 PolarHBondContact O-N 3.24Å; Q147-I150 WeakPolarHBondContact O-CB 3.49Å; Q147-I150 PolarHBondContact O-N 3.44Å; T148-I150 VanDerWaalsContact C-N 3.34Å; T148-I150 PolarHBondContact O-N 3.39Å; I150-A152 PolarHBondContact O-N 3.21Å; I150-V153 PolarHBondContact O-N 2.97Å; I150-V153 VanDerWaalsContact O-N 3.07Å; I150-K154 HydrophobicContact CG2-CB 4.26Å; I150-K154 WeakPolarHBondContact O-CA 3.3Å; I150-K154 WeakPolarHBondContact O-CB 3.47Å; I150-K154 PolarHBondContact O-N 3.41Å; I150-Q162 HydrophobicContact CD1-CB 4.39Å; I150-Q162 HydrophobicContact CD1-CG 4.42Å; I150-F165 HydrophobicContact CD1-CB 4.33Å; I150-F165 HydrophobicContact CD1-CD1 3.66Å; I150-F165 HydrophobicContact CD1-CE1 4.35Å; I150-F165 HydrophobicContact CD1-CG 4.32Å; I150-F165 HydrophobicContact CG1-CD1 3.66Å; I150-F165 HydrophobicContact CG1-CE1 3.94Å
151	E	98	Very high	97.6	Very high	48 Å²	48	47 Å²	47	22%	0.224	23%	0.229	C	C	.	.	H	α-helix	trans	-57.2	-38.6	177.3	-67.1	-54.5	136.6	0	0	112.1	H102 Q147 T148 V153 K154	H102-E151 HydrophobicContact CB-CB 4.22Å; Q147-E151 HydrophobicContact CG-CG 4.44Å; Q147-E151 PolarHBondContact NE2-OE1 2.88Å; Q147-E151 WeakPolarHBondContact O-CG 3.45Å; Q147-E151 PolarHBondContact O-N 2.68Å; T148-E151 PolarHBondContact O-N 2.89Å; E151-V153 VanDerWaalsContact C-N 3.31Å; E151-V153 PolarHBondContact O-N 3.27Å; E151-K154 IonicContact OE1-NZ 2.81Å; E151-K154 WeakPolarHBondContact OE2-CE 3.11Å; E151-K154 IonicContact OE2-NZ 2.63Å; E151-K154 PolarHBondContact OE2-NZ 2.98Å
152	A	96.1	Very high	97.7	Very high	2 Å²	2	48.5 Å²	48.5	2%	0.017	24%	0.236	C	C	.	.	H	α-helix	trans	-62.5	-34.2	177	0	0	0	0	0	113.3	Q99 H102 A103 T148 L149 I150	Q99-A152 WeakPolarHBondContact CB-O 3.46Å; Q99-A152 WeakPolarHBondContact O-CB 3.42Å; H102-A152 HydrophobicContact CB-CB 3.86Å; A103-A152 HydrophobicContact CB-CB 4.18Å; T148-A152 PolarHBondContact O-N 3.21Å; L149-A152 PolarHBondContact O-N 2.75Å; I150-A152 PolarHBondContact O-N 3.21Å
153	V	96.8	Very high	97.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-119.6	-10.3	-168.1	-52.3	0	0	0	0	115.3	L82 A86 L89 L149 I150 E151 H155 H156 I157	L82-V153 HydrophobicContact CD1-CG2 3.88Å; A86-V153 HydrophobicContact CB-CG1 3.73Å; L89-V153 HydrophobicContact CD1-CB 3.68Å; L89-V153 HydrophobicContact CD1-CG1 3.69Å; L149-V153 WeakPolarHBondContact O-CG2 3.49Å; L149-V153 PolarHBondContact O-N 3.01Å; I150-V153 PolarHBondContact O-N 2.97Å; I150-V153 VanDerWaalsContact O-N 3.07Å; E151-V153 VanDerWaalsContact C-N 3.31Å; E151-V153 PolarHBondContact O-N 3.27Å; V153-H155 PolarHBondContact O-N 3.46Å; V153-H156 PolarHBondContact O-N 3.08Å; V153-I157 HydrophobicContact CB-CG2 4.49Å; V153-I157 HydrophobicContact CG2-CD1 3.74Å; V153-I157 HydrophobicContact CG2-CG1 4.27Å; V153-I157 HydrophobicContact CG2-CG2 4.42Å; V153-I157 PolarHBondContact O-N 3.37Å
154	K	97.3	Very high	97.7	Very high	65 Å²	65	49.2 Å²	49.2	28%	0.283	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-53.9	-33.6	-168.7	62.5	-177.6	-174.5	-176.9	0	114.2	I150 E151 H156 Q162	I150-K154 HydrophobicContact CG2-CB 4.26Å; I150-K154 WeakPolarHBondContact O-CA 3.3Å; I150-K154 WeakPolarHBondContact O-CB 3.47Å; I150-K154 PolarHBondContact O-N 3.41Å; E151-K154 IonicContact OE1-NZ 2.81Å; E151-K154 WeakPolarHBondContact OE2-CE 3.11Å; E151-K154 IonicContact OE2-NZ 2.63Å; E151-K154 PolarHBondContact OE2-NZ 2.98Å; K154-H156 VanDerWaalsContact C-N 3.28Å; K154-H156 PolarHBondContact O-N 3.45Å; K154-Q162 PolarHBondContact O-NE2 3.23Å
155	H	97	Very high	97.7	Very high	136 Å²	136	46.6 Å²	46.6	63%	0.63	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-75.4	-16.1	179.5	-65	-71.8	0	0	0	114	Q99 V153	Q99-H155 PolarHBondContact NE2-CD2 2.82Å; V153-H155 PolarHBondContact O-N 3.46Å
156	H	96.9	Very high	97.7	Very high	72 Å²	72	51.9 Å²	51.9	33%	0.333	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-108.8	0.8	-175.6	-58.2	-78.4	0	0	0	112.8	L89 L95 Q99 V153 K154	L89-H156 HydrophobicContact CD1-CB 3.68Å; L89-H156 HydrophobicContact CD2-CB 3.52Å; L89-H156 HydrophobicContact CG-CB 4.26Å; L95-H156 VanDerWaalsContact CD2-CD2 3.49Å; L95-H156 WeakPolarHBondContact CD2-CD2 3.49Å; L95-H156 WeakPolarHBondContact CD2-NE2 3.3Å; Q99-H156 PolarHBondContact NE2-NE2 3.4Å; Q99-H156 PolarHBondContact OE1-NE2 2.88Å; V153-H156 PolarHBondContact O-N 3.08Å; K154-H156 VanDerWaalsContact C-N 3.28Å; K154-H156 PolarHBondContact O-N 3.45Å
157	I	97.1	Very high	97.7	Very high	16 Å²	16	55.4 Å²	55.4	8%	0.082	27%	0.269	C	S	.	.	S	Bend	trans	-128.9	152.7	-179.6	66.4	167.8	0	0	0	111.3	L82 K85 L89 V153 Q162	L82-I157 HydrophobicContact CD1-CD1 3.44Å; L82-I157 VanDerWaalsContact CD1-CD1 3.44Å; K85-I157 HydrophobicContact CB-CG2 4.47Å; K85-I157 HydrophobicContact CD-CG2 4.07Å; L89-I157 HydrophobicContact CD1-CG2 4.46Å; V153-I157 HydrophobicContact CB-CG2 4.49Å; V153-I157 HydrophobicContact CG2-CD1 3.74Å; V153-I157 HydrophobicContact CG2-CG1 4.27Å; V153-I157 HydrophobicContact CG2-CG2 4.42Å; V153-I157 PolarHBondContact O-N 3.37Å; I157-Q162 HydrophobicContact CD1-CG 3.51Å; I157-Q162 HydrophobicContact CG1-CG 3.76Å
158	S	98	Very high	97.7	Very high	62 Å²	62	51 Å²	51	43%	0.434	25%	0.248	S	C	.	.			trans	-65.9	150.6	177.3	63.4	0	0	0	0	112.1	Q160 S161 Q162	S158-Q160 PolarHBondContact O-N 2.84Å; S158-S161 WeakPolarHBondContact O-CA 3.44Å; S158-S161 WeakPolarHBondContact O-CB 3.35Å; S158-S161 PolarHBondContact O-N 3.15Å; S158-S161 PolarHBondContact OG-N 3.42Å; S158-S161 PolarHBondContact OG-OG 2.77Å; S158-Q162 PolarHBondContact O-N 3.14Å
159	Q	98.1	Very high	97.7	Very high	111 Å²	111	51.3 Å²	51.3	52%	0.519	25%	0.251	S	S	.	.	H	α-helix	trans	-52.1	-42.8	172.1	-171.3	58.8	48.9	0	0	111.5	S161 Q162 D163	Q159-S161 PolarHBondContact O-N 2.95Å; Q159-Q162 WeakPolarHBondContact O-CA 3.39Å; Q159-Q162 WeakPolarHBondContact O-CB 3.25Å; Q159-Q162 PolarHBondContact O-N 2.85Å; Q159-D163 PolarHBondContact NE2-OD1 2.65Å; Q159-D163 VanDerWaalsContact O-CG 3.23Å; Q159-D163 PolarHBondContact O-N 3.04Å
160	Q	98.2	Very high	97.8	Very high	120 Å²	120	55.2 Å²	55.2	56%	0.561	27%	0.271	S	S	*	.	H	α-helix	trans	-57.5	-34.5	175.3	-168.2	-167.5	73.3	0	0	113.3	S158 K164	S158-Q160 PolarHBondContact O-N 2.84Å; Q160-K164 VanDerWaalsContact CD-NZ 3.27Å; Q160-K164 HydrophobicContact CG-CD 4.31Å; Q160-K164 WeakPolarHBondContact O-CB 3.4Å; Q160-K164 WeakPolarHBondContact O-CD 3.42Å; Q160-K164 WeakPolarHBondContact O-CG 3.28Å; Q160-K164 PolarHBondContact O-N 2.86Å
161	S	97.7	Very high	97.8	Very high	25 Å²	25	54.7 Å²	54.7	18%	0.175	27%	0.268	C	S	.	.	H	α-helix	trans	-71.4	-36.8	176	-56.8	0	0	0	0	111.4	S158 Q159 F165	S158-S161 WeakPolarHBondContact O-CA 3.44Å; S158-S161 WeakPolarHBondContact O-CB 3.35Å; S158-S161 PolarHBondContact O-N 3.15Å; S158-S161 PolarHBondContact OG-N 3.42Å; S158-S161 PolarHBondContact OG-OG 2.77Å; Q159-S161 PolarHBondContact O-N 2.95Å; S161-F165 PolarHBondContact O-N 3.14Å; S161-F165 VanDerWaalsContact O-N 3.14Å
162	Q	98.3	Very high	97.8	Very high	32 Å²	32	54.2 Å²	54.2	15%	0.15	27%	0.266	C	S	.	.	H	α-helix	trans	-64.2	-49	175.5	-59.7	175.1	43.1	0	0	110.6	I150 K154 I157 S158 Q159 K164 F165 K166	I150-Q162 HydrophobicContact CD1-CB 4.39Å; I150-Q162 HydrophobicContact CD1-CG 4.42Å; K154-Q162 PolarHBondContact O-NE2 3.23Å; I157-Q162 HydrophobicContact CD1-CG 3.51Å; I157-Q162 HydrophobicContact CG1-CG 3.76Å; S158-Q162 PolarHBondContact O-N 3.14Å; Q159-Q162 WeakPolarHBondContact O-CA 3.39Å; Q159-Q162 WeakPolarHBondContact O-CB 3.25Å; Q159-Q162 PolarHBondContact O-N 2.85Å; Q162-K164 VanDerWaalsContact C-N 3.34Å; Q162-K164 PolarHBondContact O-N 2.87Å; Q162-F165 PolarHBondContact O-N 3.43Å; Q162-F165 VanDerWaalsContact O-N 3.16Å; Q162-K166 PolarHBondContact O-N 3.44Å
163	D	98.4	Very high	97.9	Very high	72 Å²	72	54.3 Å²	54.3	39%	0.385	27%	0.266	S	S	.	.	H	α-helix	trans	-60.3	-43.6	-179.4	-57.4	-24.8	0	0	0	111.5	Q159 F165 K166 E167	Q159-D163 PolarHBondContact NE2-OD1 2.65Å; Q159-D163 VanDerWaalsContact O-CG 3.23Å; Q159-D163 PolarHBondContact O-N 3.04Å; D163-F165 PolarHBondContact O-N 3.16Å; D163-K166 WeakPolarHBondContact O-CB 3.44Å; D163-K166 PolarHBondContact O-N 3.38Å; D163-K166 VanDerWaalsContact O-N 3.14Å; D163-E167 PolarHBondContact O-N 3.38Å
164	K	98.4	Very high	98	Very high	58 Å²	58	59.3 Å²	59.3	25%	0.252	29%	0.285	S	S	.	.	H	α-helix	trans	-62.4	-39.1	176.5	-77.7	174.9	179.8	167.5	0	113.1	Q78 Q160 Q162 F168	Q78-K164 HydrophobicContact CB-CB 4.46Å; Q78-K164 WeakPolarHBondContact CB-O 3.43Å; Q78-K164 HydrophobicContact CG-CB 3.94Å; Q160-K164 VanDerWaalsContact CD-NZ 3.27Å; Q160-K164 HydrophobicContact CG-CD 4.31Å; Q160-K164 WeakPolarHBondContact O-CB 3.4Å; Q160-K164 WeakPolarHBondContact O-CD 3.42Å; Q160-K164 WeakPolarHBondContact O-CG 3.28Å; Q160-K164 PolarHBondContact O-N 2.86Å; Q162-K164 VanDerWaalsContact C-N 3.34Å; Q162-K164 PolarHBondContact O-N 2.87Å; K164-F168 PolarHBondContact O-N 3.34Å
165	F	98.3	Very high	98	Very high	3 Å²	3	62.4 Å²	62.4	1%	0.013	30%	0.295	C	S	.	.	H	α-helix	trans	-71.3	-35.8	174.2	-179.2	-102.3	0	0	0	111.6	L82 N146 L149 I150 S161 Q162 D163 E167 F168 S169	L82-F165 HydrophobicContact CB-CB 4.37Å; L82-F165 HydrophobicContact CB-CD2 3.6Å; L82-F165 HydrophobicContact CB-CE2 4.09Å; L82-F165 HydrophobicContact CB-CG 4.11Å; L82-F165 HydrophobicContact CD2-CB 3.74Å; L82-F165 HydrophobicContact CD2-CD1 3.34Å; L82-F165 HydrophobicContact CD2-CD2 3.37Å; L82-F165 HydrophobicContact CD2-CE1 3.62Å; L82-F165 HydrophobicContact CD2-CE2 3.68Å; L82-F165 HydrophobicContact CD2-CG 3.18Å; L82-F165 HydrophobicContact CD2-CZ 3.79Å; L82-F165 HydrophobicContact CG-CD2 4.09Å; L82-F165 HydrophobicContact CG-CE2 4.47Å; L82-F165 HydrophobicContact CG-CG 4.2Å; N146-F165 HydrophobicContact CB-CE1 3.81Å; N146-F165 HydrophobicContact CB-CZ 4.08Å; L149-F165 HydrophobicContact CD2-CE1 4.49Å; L149-F165 HydrophobicContact CD2-CE2 4.27Å; L149-F165 HydrophobicContact CD2-CZ 3.86Å; I150-F165 HydrophobicContact CD1-CB 4.33Å; I150-F165 HydrophobicContact CD1-CD1 3.66Å; I150-F165 HydrophobicContact CD1-CE1 4.35Å; I150-F165 HydrophobicContact CD1-CG 4.32Å; I150-F165 HydrophobicContact CG1-CD1 3.66Å; I150-F165 HydrophobicContact CG1-CE1 3.94Å; S161-F165 PolarHBondContact O-N 3.14Å; S161-F165 VanDerWaalsContact O-N 3.14Å; Q162-F165 PolarHBondContact O-N 3.43Å; Q162-F165 VanDerWaalsContact O-N 3.16Å; D163-F165 PolarHBondContact O-N 3.16Å; F165-E167 VanDerWaalsContact C-N 3.3Å; F165-E167 PolarHBondContact O-N 2.89Å; F165-F168 HydrophobicContact CD2-CD1 4.05Å; F165-F168 AromaticContact CE2-CD1 3.75Å; F165-F168 HydrophobicContact CE2-CD1 3.75Å; F165-F168 HydrophobicContact CE2-CE1 4.13Å; F165-F168 HydrophobicContact CZ-CD1 4.34Å; F165-F168 WeakPolarHBondContact O-CA 3.38Å; F165-F168 WeakPolarHBondContact O-CB 3.24Å; F165-F168 PolarHBondContact O-N 2.72Å; F165-F168 VanDerWaalsContact O-N 3.11Å; F165-S169 PolarHBondContact O-N 3.27Å
166	K	98	Very high	98.1	Very high	112 Å²	112	61.8 Å²	61.8	49%	0.487	29%	0.292	S	S	.	.	H	α-helix	trans	-59	-42.3	173.5	-167.5	-170.8	-176.8	-50.4	0	111.2	Q162 D163 F168 S169 D170	Q162-K166 PolarHBondContact O-N 3.44Å; D163-K166 WeakPolarHBondContact O-CB 3.44Å; D163-K166 PolarHBondContact O-N 3.38Å; D163-K166 VanDerWaalsContact O-N 3.14Å; K166-F168 VanDerWaalsContact C-N 3.3Å; K166-F168 PolarHBondContact O-N 2.8Å; K166-S169 PolarHBondContact O-N 3.1Å; K166-D170 IonicContact NZ-OD1 2.6Å; K166-D170 PolarHBondContact NZ-OD1 2.9Å; K166-D170 IonicContact NZ-OD2 3.94Å; K166-D170 PolarHBondContact NZ-OD2 2.89Å; K166-D170 VanDerWaalsContact O-CB 3.27Å; K166-D170 WeakPolarHBondContact O-CB 3.39Å; K166-D170 PolarHBondContact O-N 3.21Å
167	E	98.4	Very high	98.1	Very high	92 Å²	92	58.6 Å²	58.6	43%	0.43	28%	0.277	S	S	.	.	H	α-helix	trans	-57.8	-40.9	173.7	-69.9	172.2	-141.6	0	0	112.6	Y74 D163 F165 F171	Y74-E167 WeakPolarHBondContact CE1-OE2 3.48Å; Y74-E167 VanDerWaalsContact CZ-OE2 3.25Å; Y74-E167 VanDerWaalsContact OH-CD 3.29Å; Y74-E167 PolarHBondContact OH-OE1 3.35Å; Y74-E167 PolarHBondContact OH-OE2 3.11Å; D163-E167 PolarHBondContact O-N 3.38Å; F165-E167 VanDerWaalsContact C-N 3.3Å; F165-E167 PolarHBondContact O-N 2.89Å; E167-F171 WeakPolarHBondContact O-CB 3.27Å; E167-F171 PolarHBondContact O-N 2.93Å
168	F	98.3	Very high	98.2	Very high	10 Å²	10	58 Å²	58	4%	0.044	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-52.3	172.4	163.7	-98.5	0	0	0	111.8	L75 Q78 A79 K164 F165 K166 D170 F171 F172	L75-F168 HydrophobicContact CB-CD2 4.13Å; L75-F168 HydrophobicContact CD2-CB 4.48Å; L75-F168 WeakPolarHBondContact O-CD2 3.4Å; Q78-F168 HydrophobicContact CB-CB 4.34Å; A79-F168 HydrophobicContact CB-CD1 3.69Å; A79-F168 HydrophobicContact CB-CD2 3.82Å; A79-F168 HydrophobicContact CB-CE1 3.52Å; A79-F168 HydrophobicContact CB-CE2 3.65Å; A79-F168 HydrophobicContact CB-CG 3.84Å; A79-F168 HydrophobicContact CB-CZ 3.5Å; K164-F168 PolarHBondContact O-N 3.34Å; F165-F168 HydrophobicContact CD2-CD1 4.05Å; F165-F168 AromaticContact CE2-CD1 3.75Å; F165-F168 HydrophobicContact CE2-CD1 3.75Å; F165-F168 HydrophobicContact CE2-CE1 4.13Å; F165-F168 HydrophobicContact CZ-CD1 4.34Å; F165-F168 WeakPolarHBondContact O-CA 3.38Å; F165-F168 WeakPolarHBondContact O-CB 3.24Å; F165-F168 PolarHBondContact O-N 2.72Å; F165-F168 VanDerWaalsContact O-N 3.11Å; K166-F168 VanDerWaalsContact C-N 3.3Å; K166-F168 PolarHBondContact O-N 2.8Å; F168-D170 PolarHBondContact O-N 2.89Å; F168-F171 PolarHBondContact O-N 2.95Å; F168-F172 HydrophobicContact CD2-CB 4.45Å; F168-F172 HydrophobicContact CE1-CB 4.43Å; F168-F172 HydrophobicContact CE2-CB 3.98Å; F168-F172 HydrophobicContact CE2-CD2 4.22Å; F168-F172 HydrophobicContact CE2-CG 4.07Å; F168-F172 HydrophobicContact CZ-CB 3.96Å; F168-F172 HydrophobicContact CZ-CD1 4.08Å; F168-F172 HydrophobicContact CZ-CD2 4.32Å; F168-F172 AromaticContact CZ-CG 3.86Å; F168-F172 HydrophobicContact CZ-CG 3.86Å; F168-F172 WeakPolarHBondContact O-CB 3.2Å; F168-F172 PolarHBondContact O-N 3.3Å
169	S	98.1	Very high	98.2	Very high	16 Å²	16	56.8 Å²	56.8	11%	0.112	27%	0.265	C	S	.	.	H	α-helix	trans	-58	-49.1	-178.7	179.6	0	0	0	0	111.2	N146 F165 K166 F171 F172 C173	N146-S169 VanDerWaalsContact CB-OG 3.27Å; N146-S169 WeakPolarHBondContact CB-OG 3.31Å; N146-S169 WeakPolarHBondContact ND2-CB 3.39Å; N146-S169 PolarHBondContact ND2-OG 2.96Å; F165-S169 PolarHBondContact O-N 3.27Å; K166-S169 PolarHBondContact O-N 3.1Å; S169-F171 VanDerWaalsContact C-N 3.31Å; S169-F171 PolarHBondContact O-N 3.08Å; S169-F172 PolarHBondContact O-N 3.49Å; S169-C173 VanDerWaalsContact O-CB 3.29Å; S169-C173 WeakPolarHBondContact O-CB 3.44Å; S169-C173 PolarHBondContact O-N 3.43Å; S169-C173 PolarHBondContact O-SG 2.98Å; S169-C173 VanDerWaalsContact O-SG 3.37Å
170	D	98.4	Very high	98.2	Very high	85 Å²	85	54.4 Å²	54.4	46%	0.455	25%	0.253	S	S	.	.	H	α-helix	trans	-56.7	-46	178.4	-73.3	-11.2	0	0	0	110.4	K166 F168 R174	K166-D170 IonicContact NZ-OD1 2.6Å; K166-D170 PolarHBondContact NZ-OD1 2.9Å; K166-D170 IonicContact NZ-OD2 3.94Å; K166-D170 PolarHBondContact NZ-OD2 2.89Å; K166-D170 VanDerWaalsContact O-CB 3.27Å; K166-D170 WeakPolarHBondContact O-CB 3.39Å; K166-D170 PolarHBondContact O-N 3.21Å; F168-D170 PolarHBondContact O-N 2.89Å; D170-R174 WeakPolarHBondContact O-CG 3.45Å; D170-R174 PolarHBondContact O-N 3.29Å
171	F	98.6	Very high	98.1	Very high	11 Å²	11	49 Å²	49	5%	0.048	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-52.9	176.7	179.6	-71.6	0	0	0	112	I62 Y65 T66 L71 L75 E167 F168 S169 C173 R174 F177	I62-F171 HydrophobicContact CB-CE1 4.28Å; I62-F171 HydrophobicContact CD1-CD1 4.45Å; I62-F171 HydrophobicContact CD1-CE1 4.35Å; I62-F171 HydrophobicContact CG1-CD1 4.39Å; I62-F171 HydrophobicContact CG1-CE1 3.81Å; I62-F171 HydrophobicContact CG2-CD1 4.48Å; I62-F171 HydrophobicContact CG2-CE1 3.75Å; I62-F171 HydrophobicContact CG2-CE2 4.28Å; I62-F171 HydrophobicContact CG2-CZ 3.66Å; Y65-F171 HydrophobicContact CD1-CZ 4.09Å; Y65-F171 HydrophobicContact CE1-CZ 4.47Å; T66-F171 HydrophobicContact CG2-CE2 3.52Å; T66-F171 HydrophobicContact CG2-CZ 3.46Å; T66-F171 VanDerWaalsContact CG2-CZ 3.46Å; L71-F171 HydrophobicContact CD2-CE2 4.24Å; L75-F171 HydrophobicContact CD1-CB 3.92Å; L75-F171 HydrophobicContact CD1-CD1 3.9Å; L75-F171 HydrophobicContact CD1-CD2 3.35Å; L75-F171 HydrophobicContact CD1-CE1 4.39Å; L75-F171 HydrophobicContact CD1-CE2 3.82Å; L75-F171 HydrophobicContact CD1-CG 3.45Å; L75-F171 VanDerWaalsContact CD1-CG 3.45Å; L75-F171 HydrophobicContact CD1-CZ 4.38Å; L75-F171 HydrophobicContact CD2-CB 4.31Å; E167-F171 WeakPolarHBondContact O-CB 3.27Å; E167-F171 PolarHBondContact O-N 2.93Å; F168-F171 PolarHBondContact O-N 2.95Å; S169-F171 VanDerWaalsContact C-N 3.31Å; S169-F171 PolarHBondContact O-N 3.08Å; F171-C173 PolarHBondContact O-N 3.38Å; F171-R174 WeakPolarHBondContact O-CB 3.26Å; F171-R174 WeakPolarHBondContact O-CG 3.28Å; F171-R174 PolarHBondContact O-N 3.25Å; F171-F177 HydrophobicContact CE1-CD1 4.2Å; F171-F177 AromaticContact CE1-CD2 3.99Å; F171-F177 HydrophobicContact CE1-CD2 3.99Å; F171-F177 HydrophobicContact CE1-CE1 4.35Å; F171-F177 HydrophobicContact CE1-CE2 4.14Å; F171-F177 HydrophobicContact CE1-CG 4.02Å; F171-F177 HydrophobicContact CE1-CZ 4.32Å; F171-F177 HydrophobicContact CZ-CD2 4.39Å
172	F	97.4	Very high	98	Very high	39 Å²	39	49.6 Å²	49.6	17%	0.171	23%	0.228	C	C	.	.	H	α-helix	trans	-68.6	-27.2	-169.1	-167.9	-111.3	0	0	0	111.5	I58 I62 M142 F168 S169 F177 V178	I58-F172 HydrophobicContact CB-CE2 4.47Å; I58-F172 HydrophobicContact CD1-CE2 4.39Å; I58-F172 HydrophobicContact CD1-CZ 4.03Å; I58-F172 HydrophobicContact CG1-CE2 4.11Å; I58-F172 HydrophobicContact CG1-CZ 4.11Å; I58-F172 HydrophobicContact CG2-CD2 4.17Å; I58-F172 HydrophobicContact CG2-CE2 3.64Å; I58-F172 HydrophobicContact CG2-CZ 4.35Å; I62-F172 HydrophobicContact CD1-CD2 4.41Å; M142-F172 HydrophobicContact SD-CD1 3.96Å; M142-F172 HydrophobicContact SD-CE1 3.63Å; F168-F172 HydrophobicContact CD2-CB 4.45Å; F168-F172 HydrophobicContact CE1-CB 4.43Å; F168-F172 HydrophobicContact CE2-CB 3.98Å; F168-F172 HydrophobicContact CE2-CD2 4.22Å; F168-F172 HydrophobicContact CE2-CG 4.07Å; F168-F172 HydrophobicContact CZ-CB 3.96Å; F168-F172 HydrophobicContact CZ-CD1 4.08Å; F168-F172 HydrophobicContact CZ-CD2 4.32Å; F168-F172 AromaticContact CZ-CG 3.86Å; F168-F172 HydrophobicContact CZ-CG 3.86Å; F168-F172 WeakPolarHBondContact O-CB 3.2Å; F168-F172 PolarHBondContact O-N 3.3Å; S169-F172 PolarHBondContact O-N 3.49Å; F172-F177 AromaticContact CD2-CE1 3.73Å; F172-F177 HydrophobicContact CD2-CE1 3.73Å; F172-F177 HydrophobicContact CD2-CZ 4.45Å; F172-F177 AromaticContact CE2-CE1 3.95Å; F172-F177 HydrophobicContact CE2-CE1 3.95Å; F172-F177 HydrophobicContact CE2-CZ 4.48Å; F172-V178 WeakPolarHBondContact O-CG2 3.32Å
173	C	98.2	Very high	97.8	Very high	4 Å²	4	52 Å²	52	3%	0.027	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	10.2	174.6	-59	0	0	0	0	113.9	I139 K143 S169 F171 R175	I139-C173 HydrophobicContact CG2-CB 4.36Å; I139-C173 WeakPolarHBondContact CG2-O 3.48Å; K143-C173 HydrophobicContact CD-CB 4.46Å; K143-C173 HydrophobicContact CG-CB 3.72Å; S169-C173 VanDerWaalsContact O-CB 3.29Å; S169-C173 WeakPolarHBondContact O-CB 3.44Å; S169-C173 PolarHBondContact O-N 3.43Å; S169-C173 PolarHBondContact O-SG 2.98Å; S169-C173 VanDerWaalsContact O-SG 3.37Å; F171-C173 PolarHBondContact O-N 3.38Å; C173-R175 PolarHBondContact O-N 3.43Å
174	R	98.3	Very high	97.6	Very high	105 Å²	105	50.8 Å²	50.8	40%	0.396	24%	0.238	S	C	.	.			trans	-67.7	129.9	173.9	-69.2	-168.6	-70.2	-172	11.3	110.6	D170 F171 E176 F177 V178	D170-R174 WeakPolarHBondContact O-CG 3.45Å; D170-R174 PolarHBondContact O-N 3.29Å; F171-R174 WeakPolarHBondContact O-CB 3.26Å; F171-R174 WeakPolarHBondContact O-CG 3.28Å; F171-R174 PolarHBondContact O-N 3.25Å; R174-E176 VanDerWaalsContact C-N 3.3Å; R174-E176 PolarHBondContact O-N 3.39Å; R174-F177 HydrophobicContact CB-CB 4.22Å; R174-F177 WeakPolarHBondContact O-CB 3.27Å; R174-F177 PolarHBondContact O-N 3.31Å; R174-F177 VanDerWaalsContact O-N 3.15Å; R174-V178 WeakPolarHBondContact O-CG2 3.4Å; R174-V178 PolarHBondContact O-N 3.38Å
175	R	98.4	Very high	96.9	Very high	129 Å²	129	55.8 Å²	55.8	49%	0.487	26%	0.26	S	S	.	.	H	α-helix	trans	-60.5	-41.6	-176.1	-171.9	174.3	-171.4	-77	-0.6	111.9	D136 I139 C173 F177 V178 V179	D136-R175 IonicContact OD1-CZ 3.74Å; D136-R175 IonicContact OD1-NE 3.86Å; D136-R175 PolarHBondContact OD1-NE 2.88Å; D136-R175 IonicContact OD1-NH2 3.3Å; D136-R175 IonicContact OD2-NH2 3.74Å; I139-R175 HydrophobicContact CD1-CB 3.9Å; I139-R175 HydrophobicContact CD1-CG 3.81Å; C173-R175 PolarHBondContact O-N 3.43Å; R175-F177 VanDerWaalsContact C-N 3.3Å; R175-F177 PolarHBondContact O-N 3.43Å; R175-V178 PolarHBondContact O-N 3.13Å; R175-V179 HydrophobicContact CG-CG2 3.95Å; R175-V179 VanDerWaalsContact O-CB 3.29Å; R175-V179 WeakPolarHBondContact O-CB 3.34Å; R175-V179 WeakPolarHBondContact O-CG2 3.45Å; R175-V179 PolarHBondContact O-N 3.04Å
176	E	98.1	Very high	96.6	Very high	124 Å²	124	62 Å²	62	58%	0.579	30%	0.298	S	S	*	.	H	α-helix	trans	-62.2	-39.9	179.7	-56.2	74.8	-163.3	0	0	111.3	R174 E180	R174-E176 VanDerWaalsContact C-N 3.3Å; R174-E176 PolarHBondContact O-N 3.39Å; E176-E180 WeakPolarHBondContact O-CB 3.43Å; E176-E180 PolarHBondContact O-N 3.07Å; E176-E180 VanDerWaalsContact O-N 3.1Å
177	F	98.3	Very high	96.4	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.018	29%	0.292	C	S	.	.	H	α-helix	trans	-66.5	-51.8	175.8	171	-110.3	0	0	0	111	L61 I62 Y65 F171 F172 R174 R175 E180 V181	L61-F177 HydrophobicContact CB-CZ 4.25Å; I62-F177 HydrophobicContact CG1-CE2 4.37Å; I62-F177 HydrophobicContact CG1-CZ 3.98Å; Y65-F177 AromaticContact CD1-CD2 3.7Å; Y65-F177 HydrophobicContact CD1-CD2 3.7Å; Y65-F177 HydrophobicContact CD1-CE2 4.42Å; Y65-F177 AromaticContact CD2-CD2 3.84Å; Y65-F177 HydrophobicContact CD2-CD2 3.84Å; Y65-F177 HydrophobicContact CE1-CB 4.23Å; Y65-F177 HydrophobicContact CE1-CD2 4.13Å; Y65-F177 HydrophobicContact CE2-CB 4.43Å; Y65-F177 HydrophobicContact CE2-CD2 4.27Å; Y65-F177 AromaticContact CG-CD2 3.54Å; Y65-F177 HydrophobicContact CG-CD2 3.54Å; Y65-F177 HydrophobicContact CG-CE2 4.06Å; F171-F177 HydrophobicContact CE1-CD1 4.2Å; F171-F177 AromaticContact CE1-CD2 3.99Å; F171-F177 HydrophobicContact CE1-CD2 3.99Å; F171-F177 HydrophobicContact CE1-CE1 4.35Å; F171-F177 HydrophobicContact CE1-CE2 4.14Å; F171-F177 HydrophobicContact CE1-CG 4.02Å; F171-F177 HydrophobicContact CE1-CZ 4.32Å; F171-F177 HydrophobicContact CZ-CD2 4.39Å; F172-F177 AromaticContact CD2-CE1 3.73Å; F172-F177 HydrophobicContact CD2-CE1 3.73Å; F172-F177 HydrophobicContact CD2-CZ 4.45Å; F172-F177 AromaticContact CE2-CE1 3.95Å; F172-F177 HydrophobicContact CE2-CE1 3.95Å; F172-F177 HydrophobicContact CE2-CZ 4.48Å; R174-F177 HydrophobicContact CB-CB 4.22Å; R174-F177 WeakPolarHBondContact O-CB 3.27Å; R174-F177 PolarHBondContact O-N 3.31Å; R174-F177 VanDerWaalsContact O-N 3.15Å; R175-F177 VanDerWaalsContact C-N 3.3Å; R175-F177 PolarHBondContact O-N 3.43Å; F177-E180 PolarHBondContact O-N 3.06Å; F177-V181 HydrophobicContact CD2-CG1 3.99Å; F177-V181 HydrophobicContact CE2-CG1 3.55Å; F177-V181 HydrophobicContact CZ-CG1 3.94Å; F177-V181 WeakPolarHBondContact O-CG1 3.32Å; F177-V181 WeakPolarHBondContact O-CG2 2.96Å; F177-V181 PolarHBondContact O-N 2.78Å
178	V	98.2	Very high	96.3	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-64.4	-44.3	-177	-178.8	0	0	0	0	111.3	I135 L138 I139 M142 F172 R174 R175 E180 V181 F182	I135-V178 HydrophobicContact CG2-CB 4.4Å; I135-V178 HydrophobicContact CG2-CG1 3.84Å; L138-V178 HydrophobicContact CD2-CG1 3.99Å; I139-V178 HydrophobicContact CD1-CB 4.13Å; I139-V178 HydrophobicContact CD1-CG1 4.38Å; I139-V178 HydrophobicContact CD1-CG2 4.42Å; I139-V178 HydrophobicContact CG1-CB 4.03Å; I139-V178 HydrophobicContact CG1-CG1 4.06Å; I139-V178 HydrophobicContact CG1-CG2 3.92Å; M142-V178 HydrophobicContact CE-CG1 4.48Å; M142-V178 HydrophobicContact CE-CG2 3.76Å; F172-V178 WeakPolarHBondContact O-CG2 3.32Å; R174-V178 WeakPolarHBondContact O-CG2 3.4Å; R174-V178 PolarHBondContact O-N 3.38Å; R175-V178 PolarHBondContact O-N 3.13Å; V178-E180 VanDerWaalsContact C-N 3.34Å; V178-E180 PolarHBondContact O-N 3.44Å; V178-V181 WeakPolarHBondContact O-CG2 3.46Å; V178-V181 PolarHBondContact O-N 2.98Å; V178-F182 HydrophobicContact CG1-CD2 3.85Å; V178-F182 HydrophobicContact CG1-CE2 4.05Å; V178-F182 WeakPolarHBondContact O-CD2 3.4Å; V178-F182 PolarHBondContact O-N 3.17Å; V178-F182 VanDerWaalsContact O-N 3.14Å
179	V	97.9	Very high	96.1	Very high	38 Å²	38	57.7 Å²	57.7	23%	0.23	28%	0.283	C	S	.	.	H	α-helix	trans	-58.9	-47.8	175.5	170.9	0	0	0	0	110.6	I135 R175 V181 F182 T183	I135-V179 HydrophobicContact CD1-CG2 4.14Å; I135-V179 HydrophobicContact CG2-CG2 3.81Å; R175-V179 HydrophobicContact CG-CG2 3.95Å; R175-V179 VanDerWaalsContact O-CB 3.29Å; R175-V179 WeakPolarHBondContact O-CB 3.34Å; R175-V179 WeakPolarHBondContact O-CG2 3.45Å; R175-V179 PolarHBondContact O-N 3.04Å; V179-V181 PolarHBondContact O-N 2.86Å; V179-F182 PolarHBondContact O-N 3.37Å; V179-T183 HydrophobicContact CG1-CG2 4.18Å; V179-T183 VanDerWaalsContact O-CB 3.31Å; V179-T183 WeakPolarHBondContact O-CB 3.3Å; V179-T183 VanDerWaalsContact O-CG2 3.25Å; V179-T183 WeakPolarHBondContact O-CG2 3.5Å; V179-T183 PolarHBondContact O-N 2.87Å; V179-T183 PolarHBondContact O-OG1 3.29Å
180	E	97.7	Very high	96	Very high	60 Å²	60	61.2 Å²	61.2	28%	0.28	30%	0.304	S	S	.	.	H	α-helix	trans	-62	-45.8	-177.3	179.6	62.4	-157.7	0	0	111.7	Y65 E176 F177 V178 F182 N184 Y188	Y65-E180 HydrophobicContact CD2-CB 4.16Å; Y65-E180 HydrophobicContact CD2-CG 3.78Å; Y65-E180 HydrophobicContact CE2-CB 3.82Å; Y65-E180 HydrophobicContact CE2-CG 3.76Å; E176-E180 WeakPolarHBondContact O-CB 3.43Å; E176-E180 PolarHBondContact O-N 3.07Å; E176-E180 VanDerWaalsContact O-N 3.1Å; F177-E180 PolarHBondContact O-N 3.06Å; V178-E180 VanDerWaalsContact C-N 3.34Å; V178-E180 PolarHBondContact O-N 3.44Å; E180-F182 PolarHBondContact O-N 3.19Å; E180-N184 WeakPolarHBondContact O-CB 3.18Å; E180-N184 PolarHBondContact O-N 2.9Å; E180-N184 PolarHBondContact OE1-ND2 3.24Å; E180-Y188 HydrophobicContact CG-CE2 3.56Å; E180-Y188 WeakPolarHBondContact CG-OH 3.2Å; E180-Y188 WeakPolarHBondContact OE1-CE2 3.41Å
181	V	97.3	Very high	95.9	Very high	8 Å²	8	59 Å²	59	5%	0.048	29%	0.291	C	S	.	.	H	α-helix	trans	-70	-33.5	-178.1	-59.8	0	0	0	0	113.3	L61 F177 V178 V179 Y188 M192	L61-V181 HydrophobicContact CD2-CG1 4.36Å; F177-V181 HydrophobicContact CD2-CG1 3.99Å; F177-V181 HydrophobicContact CE2-CG1 3.55Å; F177-V181 HydrophobicContact CZ-CG1 3.94Å; F177-V181 WeakPolarHBondContact O-CG1 3.32Å; F177-V181 WeakPolarHBondContact O-CG2 2.96Å; F177-V181 PolarHBondContact O-N 2.78Å; V178-V181 WeakPolarHBondContact O-CG2 3.46Å; V178-V181 PolarHBondContact O-N 2.98Å; V179-V181 PolarHBondContact O-N 2.86Å; V181-Y188 HydrophobicContact CB-CD2 4.45Å; V181-Y188 HydrophobicContact CB-CG 4.36Å; V181-Y188 HydrophobicContact CG1-CD1 4.19Å; V181-Y188 HydrophobicContact CG1-CD2 4.36Å; V181-Y188 HydrophobicContact CG1-CE1 4.34Å; V181-Y188 HydrophobicContact CG1-CG 4.18Å; V181-M192 HydrophobicContact CB-SD 4.11Å; V181-M192 HydrophobicContact CG2-SD 4.26Å
182	F	95.4	Very high	95.8	Very high	36 Å²	36	58.9 Å²	58.9	16%	0.158	29%	0.29	C	S	.	.	H	α-helix	trans	-82.1	-25.5	178.7	-84.1	-92.8	0	0	0	113.7	A117 L120 L138 V178 V179 E180 M192 Y196	A117-F182 HydrophobicContact CB-CE1 4.29Å; A117-F182 HydrophobicContact CB-CZ 3.97Å; L120-F182 HydrophobicContact CB-CD1 3.8Å; L120-F182 HydrophobicContact CB-CE1 3.84Å; L120-F182 HydrophobicContact CD1-CD1 4.24Å; L120-F182 HydrophobicContact CD1-CE1 4.14Å; L138-F182 HydrophobicContact CD2-CD2 4.23Å; L138-F182 HydrophobicContact CD2-CE1 4.23Å; L138-F182 HydrophobicContact CD2-CE2 3.4Å; L138-F182 VanDerWaalsContact CD2-CE2 3.4Å; L138-F182 HydrophobicContact CD2-CZ 3.39Å; V178-F182 HydrophobicContact CG1-CD2 3.85Å; V178-F182 HydrophobicContact CG1-CE2 4.05Å; V178-F182 WeakPolarHBondContact O-CD2 3.4Å; V178-F182 PolarHBondContact O-N 3.17Å; V178-F182 VanDerWaalsContact O-N 3.14Å; V179-F182 PolarHBondContact O-N 3.37Å; E180-F182 PolarHBondContact O-N 3.19Å; F182-M192 HydrophobicContact CD1-CE 4Å; F182-M192 HydrophobicContact CD2-CE 4.08Å; F182-M192 HydrophobicContact CE1-CE 3.8Å; F182-M192 HydrophobicContact CE2-CE 3.87Å; F182-M192 HydrophobicContact CG-CE 4.15Å; F182-M192 HydrophobicContact CZ-CE 3.73Å; F182-Y196 HydrophobicContact CE1-CE1 4.24Å
183	T	94.3	Very high	95.8	Very high	82 Å²	82	60.7 Å²	60.7	50%	0.503	30%	0.3	S	S	.	.	H	α-helix	trans	-99.8	-31	-175.3	62.6	0	0	0	0	113.6	I135 V179 K185	I135-T183 HydrophobicContact CD1-CG2 4.34Å; V179-T183 HydrophobicContact CG1-CG2 4.18Å; V179-T183 VanDerWaalsContact O-CB 3.31Å; V179-T183 WeakPolarHBondContact O-CB 3.3Å; V179-T183 VanDerWaalsContact O-CG2 3.25Å; V179-T183 WeakPolarHBondContact O-CG2 3.5Å; V179-T183 PolarHBondContact O-N 2.87Å; V179-T183 PolarHBondContact O-OG1 3.29Å; T183-K185 PolarHBondContact O-N 2.89Å
184	N	93.2	Very high	95.7	Very high	47 Å²	47	65.2 Å²	65.2	25%	0.251	32%	0.319	S	S	.	.			trans	-84.6	78.6	-179.4	-170.3	-19.7	0	0	0	111.6	E180 V186 K187 Y188	E180-N184 WeakPolarHBondContact O-CB 3.18Å; E180-N184 PolarHBondContact O-N 2.9Å; E180-N184 PolarHBondContact OE1-ND2 3.24Å; N184-V186 PolarHBondContact O-N 3.24Å; N184-V186 VanDerWaalsContact O-N 3.1Å; N184-V186 PolarHBondContact OD1-N 3.39Å; N184-K187 HydrophobicContact CB-CB 4.48Å; N184-K187 PolarHBondContact O-N 2.84Å; N184-K187 WeakPolarHBondContact OD1-CB 3.39Å; N184-K187 PolarHBondContact OD1-N 3.2Å; N184-Y188 HydrophobicContact CB-CD2 3.85Å; N184-Y188 HydrophobicContact CB-CE2 3.92Å; N184-Y188 PolarHBondContact O-N 2.81Å
185	K	84.6	Confident	95.7	Very high	164 Å²	164	60.9 Å²	60.9	71%	0.713	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-6.1	-179.4	-63.5	-173.8	178.5	-173.7	0	115	T183 S189	T183-K185 PolarHBondContact O-N 2.89Å; K185-S189 WeakPolarHBondContact O-CB 3.48Å; K185-S189 PolarHBondContact O-OG 2.78Å
186	V	91.3	Very high	95.5	Very high	133 Å²	133	55.2 Å²	55.2	81%	0.806	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-48.3	174.6	-179	0	0	0	0	110	N184	N184-V186 PolarHBondContact O-N 3.24Å; N184-V186 VanDerWaalsContact O-N 3.1Å; N184-V186 PolarHBondContact OD1-N 3.39Å
187	K	94.3	Very high	95.4	Very high	83 Å²	83	53 Å²	53	36%	0.361	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-45.9	-173	-170.3	172.5	173.7	-163.8	0	112	Q64 N184	Q64-K187 HydrophobicContact CG-CG 4.33Å; Q64-K187 PolarHBondContact NE2-O 3.35Å; Q64-K187 WeakPolarHBondContact O-CE 3.39Å; Q64-K187 PolarHBondContact O-NZ 2.95Å; Q64-K187 PolarHBondContact OE1-O 2.68Å; N184-K187 HydrophobicContact CB-CB 4.48Å; N184-K187 PolarHBondContact O-N 2.84Å; N184-K187 WeakPolarHBondContact OD1-CB 3.39Å; N184-K187 PolarHBondContact OD1-N 3.2Å
188	Y	96.4	Very high	95.2	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	28%	0.276	C	S	.	.	S	Bend	trans	-108.4	-3.6	-168.9	-52.5	-77.5	0	0	0	114.9	L61 Q64 E180 V181 N184 T190 H191 M192	L61-Y188 HydrophobicContact CD2-CD1 3.85Å; L61-Y188 HydrophobicContact CD2-CG 4.16Å; Q64-Y188 HydrophobicContact CB-CD1 4.38Å; Q64-Y188 HydrophobicContact CB-CE1 4.09Å; Q64-Y188 HydrophobicContact CG-CD1 4.24Å; Q64-Y188 HydrophobicContact CG-CE1 3.94Å; E180-Y188 HydrophobicContact CG-CE2 3.56Å; E180-Y188 WeakPolarHBondContact CG-OH 3.2Å; E180-Y188 WeakPolarHBondContact OE1-CE2 3.41Å; V181-Y188 HydrophobicContact CB-CD2 4.45Å; V181-Y188 HydrophobicContact CB-CG 4.36Å; V181-Y188 HydrophobicContact CG1-CD1 4.19Å; V181-Y188 HydrophobicContact CG1-CD2 4.36Å; V181-Y188 HydrophobicContact CG1-CE1 4.34Å; V181-Y188 HydrophobicContact CG1-CG 4.18Å; N184-Y188 HydrophobicContact CB-CD2 3.85Å; N184-Y188 HydrophobicContact CB-CE2 3.92Å; N184-Y188 PolarHBondContact O-N 2.81Å; Y188-T190 VanDerWaalsContact C-N 3.33Å; Y188-T190 PolarHBondContact O-N 2.96Å; Y188-H191 PolarHBondContact O-N 3.43Å; Y188-M192 WeakPolarHBondContact O-CG 3.33Å; Y188-M192 PolarHBondContact O-N 3.49Å
189	S	94.1	Very high	95.1	Very high	39 Å²	39	53.8 Å²	53.8	27%	0.273	28%	0.278	S	S	.	.	H	α-helix	trans	-53.3	-45.6	-173.1	45.8	0	0	0	0	113.3	K185 H191 M192 E193	K185-S189 WeakPolarHBondContact O-CB 3.48Å; K185-S189 PolarHBondContact O-OG 2.78Å; S189-H191 VanDerWaalsContact C-N 3.25Å; S189-H191 PolarHBondContact O-N 3.18Å; S189-M192 PolarHBondContact O-N 3.24Å; S189-E193 WeakPolarHBondContact O-CB 3.45Å; S189-E193 WeakPolarHBondContact O-CG 3.15Å; S189-E193 PolarHBondContact O-N 3.31Å
190	T	95.9	Very high	94.8	Very high	91 Å²	91	53.5 Å²	53.5	56%	0.558	28%	0.275	S	S	*	.	H	α-helix	trans	-55.1	-39.1	179.7	-55.8	0	0	0	0	113.5	Y188 K194	Y188-T190 VanDerWaalsContact C-N 3.33Å; Y188-T190 PolarHBondContact O-N 2.96Å; T190-K194 WeakPolarHBondContact O-CG 3.21Å
191	H	96.4	Very high	94.6	Very high	37 Å²	37	53.4 Å²	53.4	17%	0.171	28%	0.276	C	S	.	.	H	α-helix	trans	-85.8	-35.7	179.7	-67.6	-57.7	0	0	0	111.8	R60 L61 Y188 S189 K194 I195	R60-H191 VanDerWaalsContact CB-CE1 3.45Å; R60-H191 WeakPolarHBondContact CB-CE1 3.46Å; L61-H191 HydrophobicContact CD2-CB 3.65Å; L61-H191 HydrophobicContact CG-CB 4.05Å; Y188-H191 PolarHBondContact O-N 3.43Å; S189-H191 VanDerWaalsContact C-N 3.25Å; S189-H191 PolarHBondContact O-N 3.18Å; H191-K194 PolarHBondContact O-N 2.6Å; H191-I195 WeakPolarHBondContact O-CG1 3.27Å; H191-I195 PolarHBondContact O-N 2.84Å
192	M	97.1	Very high	94.3	Very high	9 Å²	9	53.1 Å²	53.1	4%	0.044	27%	0.274	C	S	.	.	H	α-helix	trans	-64	-43	175.3	-69.8	-59.5	-62.5	0	0	112.1	L61 V181 F182 Y188 S189 K194 I195 Y196	L61-M192 HydrophobicContact CD1-SD 3.54Å; L61-M192 VanDerWaalsContact CD1-SD 3.54Å; L61-M192 HydrophobicContact CD2-CG 4.24Å; L61-M192 HydrophobicContact CD2-SD 4.1Å; L61-M192 HydrophobicContact CG-SD 4.48Å; V181-M192 HydrophobicContact CB-SD 4.11Å; V181-M192 HydrophobicContact CG2-SD 4.26Å; F182-M192 HydrophobicContact CD1-CE 4Å; F182-M192 HydrophobicContact CD2-CE 4.08Å; F182-M192 HydrophobicContact CE1-CE 3.8Å; F182-M192 HydrophobicContact CE2-CE 3.87Å; F182-M192 HydrophobicContact CG-CE 4.15Å; F182-M192 HydrophobicContact CZ-CE 3.73Å; Y188-M192 WeakPolarHBondContact O-CG 3.33Å; Y188-M192 PolarHBondContact O-N 3.49Å; S189-M192 PolarHBondContact O-N 3.24Å; M192-K194 VanDerWaalsContact C-N 3.3Å; M192-K194 PolarHBondContact O-N 2.85Å; M192-I195 WeakPolarHBondContact O-CB 3.21Å; M192-I195 PolarHBondContact O-N 3.33Å; M192-I195 VanDerWaalsContact O-N 3.14Å; M192-I195 HydrophobicContact SD-CD1 4.45Å; M192-Y196 HydrophobicContact CB-CE2 4.02Å; M192-Y196 HydrophobicContact CE-CE1 3.78Å; M192-Y196 WeakPolarHBondContact CE-OH 3.33Å; M192-Y196 VanDerWaalsContact O-CD2 3.22Å; M192-Y196 WeakPolarHBondContact O-CD2 3.46Å; M192-Y196 PolarHBondContact O-N 3.13Å
193	E	95.9	Very high	94	Very high	78 Å²	78	52.6 Å²	52.6	36%	0.364	27%	0.273	S	S	.	.	H	α-helix	trans	-61.3	-39.8	177.1	-69.8	-54.6	141	0	0	111.9	R122 S189 Y196 D197	R122-E193 IonicContact CZ-OE2 3.92Å; R122-E193 IonicContact NE-OE2 3.52Å; R122-E193 PolarHBondContact NE-OE2 2.94Å; R122-E193 VanDerWaalsContact NE-OE2 3.13Å; R122-E193 PolarHBondContact NH2-O 3.12Å; R122-E193 IonicContact NH2-OE2 3.71Å; R122-E193 PolarHBondContact NH2-OE2 3.36Å; S189-E193 WeakPolarHBondContact O-CB 3.45Å; S189-E193 WeakPolarHBondContact O-CG 3.15Å; S189-E193 PolarHBondContact O-N 3.31Å; E193-Y196 WeakPolarHBondContact O-CB 3.31Å; E193-Y196 PolarHBondContact O-N 3.28Å; E193-D197 VanDerWaalsContact O-CG 3.22Å; E193-D197 PolarHBondContact O-N 2.96Å
194	K	97	Very high	93.7	Very high	99 Å²	99	54.2 Å²	54.2	43%	0.43	28%	0.278	S	S	.	.	H	α-helix	trans	-65.5	-39.2	174.4	-68	176.5	179.8	-172.6	0	112.6	N57 T190 H191 M192 Y196 D197 D198	N57-K194 WeakPolarHBondContact ND2-CB 3.22Å; N57-K194 WeakPolarHBondContact OD1-CD 3.27Å; T190-K194 WeakPolarHBondContact O-CG 3.21Å; H191-K194 PolarHBondContact O-N 2.6Å; M192-K194 VanDerWaalsContact C-N 3.3Å; M192-K194 PolarHBondContact O-N 2.85Å; K194-Y196 VanDerWaalsContact C-N 3.3Å; K194-D197 PolarHBondContact O-N 3.44Å; K194-D198 PolarHBondContact O-N 3.33Å
195	I	97.1	Very high	93.6	Very high	14 Å²	14	57.8 Å²	57.8	7%	0.072	29%	0.288	C	S	.	.	H	α-helix	trans	-61.4	-43.6	173	-71.8	174.5	0	0	0	109.9	L54 N57 I58 L61 H191 M192 D198 L199	L54-I195 HydrophobicContact CD1-CB 4.29Å; L54-I195 HydrophobicContact CD1-CG1 4.02Å; L54-I195 HydrophobicContact CD1-CG2 3.79Å; N57-I195 HydrophobicContact CB-CD1 3.98Å; N57-I195 HydrophobicContact CB-CG1 3.5Å; I58-I195 HydrophobicContact CG1-CD1 4.37Å; L61-I195 HydrophobicContact CD1-CD1 3.37Å; L61-I195 HydrophobicContact CG-CD1 4.27Å; H191-I195 WeakPolarHBondContact O-CG1 3.27Å; H191-I195 PolarHBondContact O-N 2.84Å; M192-I195 WeakPolarHBondContact O-CB 3.21Å; M192-I195 PolarHBondContact O-N 3.33Å; M192-I195 VanDerWaalsContact O-N 3.14Å; M192-I195 HydrophobicContact SD-CD1 4.45Å; I195-D198 PolarHBondContact O-N 2.76Å; I195-L199 HydrophobicContact CG2-CD1 3.73Å; I195-L199 HydrophobicContact CG2-CG 4.15Å; I195-L199 WeakPolarHBondContact O-CB 3.48Å; I195-L199 WeakPolarHBondContact O-CG 3.36Å; I195-L199 PolarHBondContact O-N 2.83Å
196	Y	95.4	Very high	93.6	Very high	9 Å²	9	52.3 Å²	52.3	4%	0.035	28%	0.278	C	S	.	.	H	α-helix	trans	-60.5	-47.8	176.2	-57.9	-34.1	0	0	0	110.8	L118 G121 R122 F182 M192 E193 K194 D198 L199 E200	L118-Y196 HydrophobicContact CD2-CD1 3.88Å; L118-Y196 HydrophobicContact CD2-CG 4.06Å; G121-Y196 VanDerWaalsContact CA-CZ 3.49Å; G121-Y196 VanDerWaalsContact CA-OH 3.31Å; G121-Y196 WeakPolarHBondContact CA-OH 3.49Å; R122-Y196 HydrophobicContact CG-CD2 4.11Å; R122-Y196 HydrophobicContact CG-CG 4.45Å; F182-Y196 HydrophobicContact CE1-CE1 4.24Å; M192-Y196 HydrophobicContact CB-CE2 4.02Å; M192-Y196 HydrophobicContact CE-CE1 3.78Å; M192-Y196 WeakPolarHBondContact CE-OH 3.33Å; M192-Y196 VanDerWaalsContact O-CD2 3.22Å; M192-Y196 WeakPolarHBondContact O-CD2 3.46Å; M192-Y196 PolarHBondContact O-N 3.13Å; E193-Y196 WeakPolarHBondContact O-CB 3.31Å; E193-Y196 PolarHBondContact O-N 3.28Å; K194-Y196 VanDerWaalsContact C-N 3.3Å; Y196-D198 VanDerWaalsContact C-N 3.34Å; Y196-D198 PolarHBondContact O-N 2.8Å; Y196-L199 PolarHBondContact O-N 3.31Å; Y196-E200 WeakPolarHBondContact O-CB 3.17Å; Y196-E200 WeakPolarHBondContact O-CG 3.48Å; Y196-E200 PolarHBondContact O-N 3.24Å
197	D	95.2	Very high	93.3	Very high	79 Å²	79	46.3 Å²	46.3	42%	0.422	24%	0.241	S	C	.	.	H	α-helix	trans	-58	-44.1	177.1	-63.6	-25.5	0	0	0	112.3	R122 E193 K194 E200 D201	R122-D197 IonicContact CZ-OD1 3.98Å; R122-D197 VanDerWaalsContact CZ-OD1 3.23Å; R122-D197 IonicContact NH1-OD1 2.77Å; R122-D197 PolarHBondContact NH1-OD1 3.27Å; R122-D197 IonicContact NH2-OD1 3.9Å; R122-D197 PolarHBondContact NH2-OD1 3.05Å; E193-D197 VanDerWaalsContact O-CG 3.22Å; E193-D197 PolarHBondContact O-N 2.96Å; K194-D197 PolarHBondContact O-N 3.44Å; D197-E200 PolarHBondContact O-N 3.46Å; D197-D201 WeakPolarHBondContact O-CB 3.07Å; D197-D201 PolarHBondContact O-N 3.44Å
198	D	95.4	Very high	92.6	Very high	9 Å²	9	44.1 Å²	44.1	5%	0.048	23%	0.232	C	C	.	.	H	α-helix	trans	-66.6	-41.9	178.2	-72.7	-39.8	0	0	0	111.9	R53 N57 K194 I195 Y196 E200 D201 M202	R53-D198 VanDerWaalsContact CB-OD2 3.3Å; R53-D198 WeakPolarHBondContact CB-OD2 3.36Å; R53-D198 IonicContact CZ-OD1 3.59Å; R53-D198 VanDerWaalsContact CZ-OD1 3.28Å; R53-D198 IonicContact NE-OD1 3.23Å; R53-D198 PolarHBondContact NE-OD1 3.49Å; R53-D198 IonicContact NH2-OD1 3.35Å; R53-D198 PolarHBondContact NH2-OD1 2.98Å; N57-D198 PolarHBondContact ND2-OD2 2.85Å; K194-D198 PolarHBondContact O-N 3.33Å; I195-D198 PolarHBondContact O-N 2.76Å; Y196-D198 VanDerWaalsContact C-N 3.34Å; Y196-D198 PolarHBondContact O-N 2.8Å; D198-E200 VanDerWaalsContact C-N 3.35Å; D198-D201 PolarHBondContact O-N 3.3Å; D198-M202 WeakPolarHBondContact O-CB 3.41Å; D198-M202 VanDerWaalsContact O-CG 3.22Å; D198-M202 WeakPolarHBondContact O-CG 3.46Å; D198-M202 PolarHBondContact O-N 2.92Å
199	L	94.9	Very high	92.4	Very high	13 Å²	13	46.3 Å²	46.3	7%	0.068	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-38.1	176.7	-69.5	174.5	0	0	0	111.9	L54 A114 A117 L118 I195 Y196 M203 F208	L54-L199 HydrophobicContact CD1-CD2 4.44Å; L54-L199 HydrophobicContact CD2-CD2 4.13Å; A114-L199 HydrophobicContact CB-CB 4.42Å; A114-L199 HydrophobicContact CB-CD2 3.92Å; A117-L199 HydrophobicContact CB-CD1 4.08Å; L118-L199 HydrophobicContact CD1-CB 4.03Å; L118-L199 HydrophobicContact CD2-CB 4.48Å; L118-L199 HydrophobicContact CG-CB 4.32Å; I195-L199 HydrophobicContact CG2-CD1 3.73Å; I195-L199 HydrophobicContact CG2-CG 4.15Å; I195-L199 WeakPolarHBondContact O-CB 3.48Å; I195-L199 WeakPolarHBondContact O-CG 3.36Å; I195-L199 PolarHBondContact O-N 2.83Å; Y196-L199 PolarHBondContact O-N 3.31Å; L199-M203 WeakPolarHBondContact O-CG 3.15Å; L199-M203 PolarHBondContact O-N 2.92Å; L199-F208 HydrophobicContact CD2-CE2 4.43Å; L199-F208 HydrophobicContact CD2-CZ 3.89Å
200	E	92.2	Very high	92.3	Very high	33 Å²	33	46.6 Å²	46.6	15%	0.154	24%	0.242	C	C	.	.	H	α-helix	trans	-65.1	-47.6	175.6	-70.3	-175.3	159.5	0	0	111.3	L118 R122 R125 Y196 D197 D198 M202 M203 D204	L118-E200 HydrophobicContact CD1-CG 3.72Å; L118-E200 HydrophobicContact CD2-CG 3.59Å; L118-E200 HydrophobicContact CG-CG 4.33Å; R122-E200 WeakPolarHBondContact CD-OE1 3.49Å; R122-E200 IonicContact CZ-OE2 3.26Å; R122-E200 VanDerWaalsContact NH1-CD 3.34Å; R122-E200 IonicContact NH1-OE1 3.77Å; R122-E200 IonicContact NH1-OE2 2.7Å; R122-E200 PolarHBondContact NH1-OE2 2.91Å; R125-E200 WeakPolarHBondContact CD-OE1 3.36Å; R125-E200 VanDerWaalsContact NH1-CD 3.32Å; R125-E200 IonicContact NH1-OE1 3.12Å; R125-E200 IonicContact NH1-OE2 3.17Å; Y196-E200 WeakPolarHBondContact O-CB 3.17Å; Y196-E200 WeakPolarHBondContact O-CG 3.48Å; Y196-E200 PolarHBondContact O-N 3.24Å; D197-E200 PolarHBondContact O-N 3.46Å; D198-E200 VanDerWaalsContact C-N 3.35Å; E200-M202 VanDerWaalsContact C-N 3.33Å; E200-M202 PolarHBondContact O-N 3.17Å; E200-M203 PolarHBondContact O-N 2.92Å; E200-D204 WeakPolarHBondContact O-CB 3.33Å; E200-D204 PolarHBondContact O-N 3.19Å
201	D	92.6	Very high	92.2	Very high	58 Å²	58	44.2 Å²	44.2	31%	0.31	22%	0.224	S	C	.	.	H	α-helix	trans	-55.9	-47.6	175.1	-179.8	67	0	0	0	111.6	D197 D198 M203 D204 R205	D197-D201 WeakPolarHBondContact O-CB 3.07Å; D197-D201 PolarHBondContact O-N 3.44Å; D198-D201 PolarHBondContact O-N 3.3Å; D201-M203 PolarHBondContact O-N 3.33Å; D201-D204 PolarHBondContact O-N 3.1Å; D201-R205 VanDerWaalsContact CG-CD 3.48Å; D201-R205 VanDerWaalsContact O-CB 3.3Å; D201-R205 WeakPolarHBondContact O-CB 3.44Å; D201-R205 WeakPolarHBondContact O-CD 3.28Å; D201-R205 WeakPolarHBondContact O-CG 3.35Å; D201-R205 PolarHBondContact O-N 2.82Å; D201-R205 WeakPolarHBondContact OD1-CD 3.35Å; D201-R205 WeakPolarHBondContact OD2-CD 3.22Å; D201-R205 IonicContact OD2-CZ 2.7Å; D201-R205 IonicContact OD2-NH1 2.72Å; D201-R205 PolarHBondContact OD2-NH1 3.36Å
202	M	91.5	Very high	91.9	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-61.3	-43.6	179	-72.4	174.1	-176.9	0	0	112.9	L45 S50 S51 L54 D198 E200 G206 L207 F208	L45-M202 HydrophobicContact CD1-CG 4.35Å; L45-M202 HydrophobicContact CD1-SD 3.83Å; S50-M202 WeakPolarHBondContact O-CE 3.37Å; S50-M202 WeakPolarHBondContact OG-CE 3.37Å; S50-M202 VanDerWaalsContact OG-CG 3.25Å; S50-M202 WeakPolarHBondContact OG-CG 3.31Å; S51-M202 WeakPolarHBondContact OG-CE 3.15Å; L54-M202 HydrophobicContact CB-CE 4.16Å; L54-M202 HydrophobicContact CD2-CE 4.02Å; L54-M202 HydrophobicContact CD2-SD 4.35Å; D198-M202 WeakPolarHBondContact O-CB 3.41Å; D198-M202 VanDerWaalsContact O-CG 3.22Å; D198-M202 WeakPolarHBondContact O-CG 3.46Å; D198-M202 PolarHBondContact O-N 2.92Å; E200-M202 VanDerWaalsContact C-N 3.33Å; E200-M202 PolarHBondContact O-N 3.17Å; M202-G206 PolarHBondContact O-N 2.74Å; M202-L207 HydrophobicContact CB-CB 4.24Å; M202-L207 HydrophobicContact CB-CD1 4.32Å; M202-L207 HydrophobicContact CG-CD1 4.06Å; M202-L207 WeakPolarHBondContact O-CB 3.09Å; M202-L207 PolarHBondContact O-N 2.84Å; M202-F208 HydrophobicContact CB-CD2 3.88Å; M202-F208 HydrophobicContact CB-CE2 3.36Å; M202-F208 HydrophobicContact CB-CZ 3.98Å; M202-F208 HydrophobicContact CG-CE2 4.35Å; M202-F208 HydrophobicContact SD-CE2 4.07Å; M202-F208 HydrophobicContact SD-CZ 3.72Å
203	M	89.2	Confident	91.6	Very high	26 Å²	26	46.8 Å²	46.8	13%	0.128	24%	0.239	C	C	.	.	H	α-helix	trans	-67.1	-46	177.5	-75.2	-171.8	-44	0	0	111.8	A114 L118 L127 L199 E200 D201 R205 G206 F208	A114-M203 HydrophobicContact CB-CG 4.31Å; A114-M203 HydrophobicContact CB-SD 4.08Å; L118-M203 HydrophobicContact CD1-CE 3.02Å; L118-M203 HydrophobicContact CD1-SD 3.98Å; L118-M203 HydrophobicContact CG-CE 4.49Å; L127-M203 HydrophobicContact CD2-CE 4.06Å; L199-M203 WeakPolarHBondContact O-CG 3.15Å; L199-M203 PolarHBondContact O-N 2.92Å; E200-M203 PolarHBondContact O-N 2.92Å; D201-M203 PolarHBondContact O-N 3.33Å; M203-R205 PolarHBondContact O-N 2.91Å; M203-G206 PolarHBondContact O-N 2.79Å; M203-F208 HydrophobicContact CB-CD2 4.16Å; M203-F208 HydrophobicContact CG-CD2 3.34Å; M203-F208 HydrophobicContact CG-CE2 3.66Å; M203-F208 HydrophobicContact CG-CG 4.43Å
204	D	89.1	Confident	91.3	Very high	115 Å²	115	44.7 Å²	44.7	62%	0.615	23%	0.23	S	C	*	.	H	α-helix	trans	-65.9	-26.6	-176.7	-66.7	-9.2	0	0	0	111.3	R125 E200 D201	R125-D204 IonicContact CZ-OD1 2.65Å; R125-D204 IonicContact NH1-OD1 3.34Å; R125-D204 IonicContact NH1-OD2 2.94Å; R125-D204 IonicContact NH2-OD1 2.86Å; R125-D204 PolarHBondContact NH2-OD1 3.21Å; E200-D204 WeakPolarHBondContact O-CB 3.33Å; E200-D204 PolarHBondContact O-N 3.19Å; D201-D204 PolarHBondContact O-N 3.1Å
205	R	89.1	Confident	90.9	Very high	123 Å²	123	40.9 Å²	40.9	46%	0.464	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-1.8	174.8	-66.1	168	62.4	-151.5	-5.1	114.2	D48 D201 M203 L207	D48-R205 VanDerWaalsContact CG-NH1 3.29Å; D48-R205 IonicContact OD1-CZ 2.72Å; D48-R205 VanDerWaalsContact OD1-CZ 3.3Å; D48-R205 IonicContact OD1-NH1 2.75Å; D48-R205 PolarHBondContact OD1-NH1 2.8Å; D48-R205 VanDerWaalsContact OD1-NH1 3.17Å; D48-R205 IonicContact OD1-NH2 2.89Å; D48-R205 PolarHBondContact OD1-NH2 2.73Å; D48-R205 IonicContact OD2-CZ 3.13Å; D48-R205 IonicContact OD2-NH1 2.81Å; D48-R205 PolarHBondContact OD2-NH1 2.93Å; D48-R205 IonicContact OD2-NH2 3.28Å; D201-R205 VanDerWaalsContact CG-CD 3.48Å; D201-R205 VanDerWaalsContact O-CB 3.3Å; D201-R205 WeakPolarHBondContact O-CB 3.44Å; D201-R205 WeakPolarHBondContact O-CD 3.28Å; D201-R205 WeakPolarHBondContact O-CG 3.35Å; D201-R205 PolarHBondContact O-N 2.82Å; D201-R205 WeakPolarHBondContact OD1-CD 3.35Å; D201-R205 WeakPolarHBondContact OD2-CD 3.22Å; D201-R205 IonicContact OD2-CZ 2.7Å; D201-R205 IonicContact OD2-NH1 2.72Å; D201-R205 PolarHBondContact OD2-NH1 3.36Å; M203-R205 PolarHBondContact O-N 2.91Å; R205-L207 HydrophobicContact CB-CG 4.18Å
206	G	84.6	Confident	90.4	Very high	49 Å²	49	42.9 Å²	42.9	51%	0.505	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	39	-178.3	0	0	0	0	0	113.2	M202 M203 F208	M202-G206 PolarHBondContact O-N 2.74Å; M203-G206 PolarHBondContact O-N 2.79Å; G206-F208 CarbonylContact C-O 3.57Å
207	L	85.3	Confident	90	Very high	7 Å²	7	45.8 Å²	45.8	4%	0.037	24%	0.243	C	C	.	.			trans	-80.7	-27.6	172.2	-61.8	-173.1	0	0	0	111.9	K44 L45 D48 H107 M202 R205	K44-L207 HydrophobicContact CB-CD2 3.77Å; L45-L207 HydrophobicContact CB-CB 4.42Å; L45-L207 HydrophobicContact CD1-CB 3.96Å; D48-L207 HydrophobicContact CB-CD1 3.8Å; H107-L207 PolarHBondContact NE2-O 3.2Å; M202-L207 HydrophobicContact CB-CB 4.24Å; M202-L207 HydrophobicContact CB-CD1 4.32Å; M202-L207 HydrophobicContact CG-CD1 4.06Å; M202-L207 WeakPolarHBondContact O-CB 3.09Å; M202-L207 PolarHBondContact O-N 2.84Å; R205-L207 HydrophobicContact CB-CG 4.18Å
208	F	80.7	Confident	89.5	Confident	36 Å²	36	42.7 Å²	42.7	16%	0.158	23%	0.227	C	C	.	.			trans	-84.7	0	165.5	-61.1	-68.6	0	0	0	112.1	L45 H107 C110 H111 A114 L199 M202 M203 G206	L45-F208 HydrophobicContact CD1-CD1 4.2Å; L45-F208 HydrophobicContact CD1-CE1 3.92Å; L45-F208 HydrophobicContact CD1-CZ 4.31Å; L45-F208 HydrophobicContact CD2-CD1 4.21Å; L45-F208 HydrophobicContact CD2-CE1 4.23Å; H107-F208 PolarHBondContact CE1-OXT 3Å; H107-F208 WeakPolarHBondContact NE2-CA 3.25Å; H107-F208 PolarHBondContact NE2-OXT 3.33Å; C110-F208 HydrophobicContact CB-CD1 4.02Å; C110-F208 HydrophobicContact CB-CE1 3.94Å; H111-F208 HydrophobicContact CB-CB 3.8Å; H111-F208 HydrophobicContact CB-CD1 4.46Å; H111-F208 HydrophobicContact CB-CG 4.34Å; H111-F208 WeakPolarHBondContact ND1-CB 3.49Å; A114-F208 HydrophobicContact CB-CD2 4.27Å; A114-F208 HydrophobicContact CB-CE1 4.28Å; A114-F208 HydrophobicContact CB-CE2 3.64Å; A114-F208 HydrophobicContact CB-CZ 3.66Å; L199-F208 HydrophobicContact CD2-CE2 4.43Å; L199-F208 HydrophobicContact CD2-CZ 3.89Å; M202-F208 HydrophobicContact CB-CD2 3.88Å; M202-F208 HydrophobicContact CB-CE2 3.36Å; M202-F208 HydrophobicContact CB-CZ 3.98Å; M202-F208 HydrophobicContact CG-CE2 4.35Å; M202-F208 HydrophobicContact SD-CE2 4.07Å; M202-F208 HydrophobicContact SD-CZ 3.72Å; M203-F208 HydrophobicContact CB-CD2 4.16Å; M203-F208 HydrophobicContact CG-CD2 3.34Å; M203-F208 HydrophobicContact CG-CE2 3.66Å; M203-F208 HydrophobicContact CG-CG 4.43Å; G206-F208 CarbonylContact C-O 3.57Å

Retrieved 208 of 208 residues in 683 ms (Link to these results)

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