A0A087WUN6_HUMAN Loading...

[histone H3]-trimethyl-L-lysine(27) demethylase

AlphaFold DB , UniProt , Accession A0A087WUN6, Species HUMAN (Homo sapiens, Human), Gene KDM6A, Length 224 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	38.9	Very low	35.6	Very low	239 Å²	239	135.4 Å²	135.4	100%	1.177	85%	0.847	S	S	*	*				0	124	0	-79.4	175.1	163.3	0	0	108.4
2	K	42.6	Very low	35	Very low	203 Å²	203	132 Å²	132	88%	0.883	84%	0.842	S	S	*	*			trans	56.5	105	158.5	-62	173.5	176.9	177.1	0	116.6
3	S	35.8	Very low	34.7	Very low	115 Å²	115	129.6 Å²	129.6	80%	0.804	84%	0.841	S	S	*	*				58.4	113.7	63.8	-170.8	0	0	0	0	114.5
4	C	39.7	Very low	34.4	Very low	133 Å²	133	127.4 Å²	127.4	90%	0.899	84%	0.839	S	S	*	*			trans	174.3	126	139.7	-93.9	0	0	0	0	106.4
5	G	34.7	Very low	34.2	Very low	64 Å²	64	125.4 Å²	125.4	66%	0.66	84%	0.837	S	S	*	*			cis	130.4	111	6.8	0	0	0	0	0	110.7
6	V	35.5	Very low	34.1	Very low	146 Å²	146	123.8 Å²	123.8	89%	0.885	84%	0.836	S	S	*	*			trans	72	144.2	143.2	-167.8	0	0	0	0	116.8
7	S	33.9	Very low	34	Very low	97 Å²	97	121.8 Å²	121.8	68%	0.678	83%	0.831	S	S	*	*			cis	-155.6	144.6	5.2	-130.1	0	0	0	0	107.3
8	L	32	Very low	33.7	Very low	154 Å²	154	127.2 Å²	127.2	81%	0.806	84%	0.838	S	S	*	*				46.3	113.3	88.1	-111.1	125.1	0	0	0	117.4
9	A	33.1	Very low	33.6	Very low	102 Å²	102	124.2 Å²	124.2	84%	0.843	83%	0.832	S	S	*	*			trans	-157.6	111.2	139.9	0	0	0	0	0	111.2
10	T	33.1	Very low	33.5	Very low	127 Å²	127	125.9 Å²	125.9	78%	0.779	83%	0.832	S	S	*	*			trans	-69.2	148.2	158.4	43.7	0	0	0	0	111
11	A	32.5	Very low	33.6	Very low	109 Å²	109	128.1 Å²	128.1	90%	0.901	83%	0.831	S	S	*	*			trans	-139.8	110.6	154.5	0	0	0	0	0	109.9
12	A	28.7	Very low	33.4	Very low	95 Å²	95	123.1 Å²	123.1	79%	0.785	81%	0.805	S	S	*	*			trans	-100.2	152.9	166.5	0	0	0	0	0	109.5
13	A	31.1	Very low	33.2	Very low	101 Å²	101	121.7 Å²	121.7	84%	0.835	80%	0.799	S	S	*	*			trans	67.4	126	144.2	0	0	0	0	0	121.9
14	A	30	Very low	33.2	Very low	98 Å²	98	126.2 Å²	126.2	81%	0.81	80%	0.804	S	S	*	*				-164.7	116.4	127.3	0	0	0	0	0	106
15	A	30.7	Very low	33	Very low	98 Å²	98	128.7 Å²	128.7	81%	0.81	81%	0.805	S	S	*	*			cis	67.7	106	35	0	0	0	0	0	114.8
16	A	33.8	Very low	32.8	Very low	100 Å²	100	130.3 Å²	130.3	83%	0.826	81%	0.812	S	S	*	*			trans	154.1	120.5	135.3	0	0	0	0	0	109
17	A	31.7	Very low	32.5	Very low	90 Å²	90	128.3 Å²	128.3	74%	0.744	81%	0.811	S	S	*	*			cis	102.9	124.3	45.6	0	0	0	0	0	111.7
18	F	29.1	Very low	32.2	Very low	219 Å²	219	127.4 Å²	127.4	96%	0.961	82%	0.816	S	S	*	*			trans	-165.4	115.3	149.9	-97.5	-78.7	0	0	0	103.7
19	G	30.6	Very low	32.2	Very low	70 Å²	70	129.6 Å²	129.6	72%	0.722	82%	0.819	S	S	*	*			cis	93.3	77.4	43.3	0	0	0	0	0	107.9
20	D	33.4	Very low	32.5	Very low	157 Å²	157	129.8 Å²	129.8	84%	0.84	82%	0.821	S	S	*	*				73.4	116.5	85.2	-143.9	7.2	0	0	0	114.6
21	E	35.3	Very low	32.5	Very low	174 Å²	174	128.8 Å²	128.8	81%	0.813	82%	0.819	S	S	*	*				172.2	121.1	121.9	-108.7	-164.6	152.4	0	0	114.8
22	E	33.7	Very low	32.4	Very low	134 Å²	134	127 Å²	127	63%	0.626	81%	0.811	S	S	*	*			trans	22.4	139.7	140.7	-91	-166.3	124.6	0	0	127.2
23	K	37.8	Very low	32.6	Very low	172 Å²	172	131.4 Å²	131.4	75%	0.748	82%	0.816	S	S	*	*			trans	73	113.6	137.1	-86.6	175.3	175.7	131.7	0	121.3
24	K	36.1	Very low	32.7	Very low	211 Å²	211	131.8 Å²	131.8	92%	0.917	81%	0.812	S	S	*	*				-164.1	137.9	117.2	-140.9	170.3	174.8	177.1	0	113.2
25	M	36	Very low	33.2	Very low	184 Å²	184	136.1 Å²	136.1	91%	0.906	82%	0.815	S	S	*	*			trans	-65.4	145.5	170.4	-66.5	-94.7	-153.2	0	0	113
26	A	31.2	Very low	33.9	Very low	99 Å²	99	139.7 Å²	139.7	82%	0.818	82%	0.815	S	S	*	*			trans	-174.4	125.1	134.8	0	0	0	0	0	112.9
27	A	28.7	Very low	34.4	Very low	104 Å²	104	139.2 Å²	139.2	86%	0.86	81%	0.812	S	S	*	*			trans	20.2	124.4	145.2	0	0	0	0	0	121.4
28	G	27.8	Very low	35.5	Very low	77 Å²	77	137.7 Å²	137.7	79%	0.794	80%	0.795	S	S	*	*				89.2	94	120	0	0	0	0	0	118
29	K	32	Very low	37.4	Very low	200 Å²	200	129.5 Å²	129.5	87%	0.87	76%	0.764	S	S	*	*				-164.7	116.4	118.8	-123	171.2	178.9	176	0	110.2	S31	K29-S31 PolarHBondContact O-N 3.03Å
30	A	38	Very low	39.7	Very low	106 Å²	106	130.3 Å²	130.3	88%	0.876	76%	0.759	S	S	*	*			trans	-59.2	101.9	158.4	0	0	0	0	0	108
31	S	33.5	Very low	42.2	Very low	107 Å²	107	123.5 Å²	123.5	75%	0.748	72%	0.722	S	S	*	*			trans	-87.5	106.4	154.4	49.5	0	0	0	0	105.4	K29 E33	K29-S31 PolarHBondContact O-N 3.03Å; S31-E33 PolarHBondContact O-N 2.96Å
32	G	31.6	Very low	44.7	Very low	70 Å²	70	118.5 Å²	118.5	72%	0.722	70%	0.703	S	S	*	*			trans	-48.5	114.8	-177.4	0	0	0	0	0	111	S34	G32-S34 PolarHBondContact O-N 3.04Å
33	E	32.5	Very low	47.3	Very low	189 Å²	189	116 Å²	116	88%	0.883	71%	0.706	S	S	*	*			trans	-61	96.1	144.5	-69.6	177	160.1	0	0	104.2	S31 E35	S31-E33 PolarHBondContact O-N 2.96Å; E33-E35 VanDerWaalsContact C-N 3.28Å; E33-E35 PolarHBondContact O-N 2.93Å
34	S	33.3	Very low	49.6	Very low	108 Å²	108	115.5 Å²	115.5	76%	0.755	71%	0.706	S	S	*	*			trans	-52.8	108.7	155.5	-74.6	0	0	0	0	104.8	G32 E36	G32-S34 PolarHBondContact O-N 3.04Å; S34-E36 PolarHBondContact O-N 3.45Å
35	E	40.9	Very low	52.1	Low	189 Å²	189	107.4 Å²	107.4	88%	0.883	67%	0.672	S	S	*	*			trans	-45.8	97	155	-82.9	-179	132.4	0	0	105.4	E33 A37	E33-E35 VanDerWaalsContact C-N 3.28Å; E33-E35 PolarHBondContact O-N 2.93Å; E35-A37 PolarHBondContact O-N 2.98Å
36	E	44.8	Very low	54.5	Low	174 Å²	174	106 Å²	106	81%	0.813	66%	0.657	S	S	*	*			trans	-61	102.1	167.7	-85.2	-150.8	159.4	0	0	104.3	S34 S38	S34-E36 PolarHBondContact O-N 3.45Å; E36-S38 PolarHBondContact O-N 3.35Å
37	A	44.4	Very low	57.2	Low	90 Å²	90	109 Å²	109	74%	0.744	65%	0.654	S	S	*	*			trans	-45.2	110.4	171.8	0	0	0	0	0	106.1	E35 P39	E35-A37 PolarHBondContact O-N 2.98Å; A37-P39 WeakPolarHBondContact O-CD 3.46Å
38	S	55.4	Low	59.9	Low	58 Å²	58	106.7 Å²	106.7	41%	0.406	63%	0.634	S	S	.	*	P	Polyproline II helix	trans	-50.7	120	-175.3	-59.5	0	0	0	0	106.4	E36 S40 K86	E36-S38 PolarHBondContact O-N 3.35Å; S38-S40 PolarHBondContact O-N 3.28Å; S38-K86 PolarHBondContact OG-NZ 3.44Å
39	P	67.3	Low	62.7	Low	46 Å²	46	103.3 Å²	103.3	30%	0.299	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-57.9	118.9	-172.7	21.6	-31.4	0	0	0	106.7	A37 R78 C79	A37-P39 WeakPolarHBondContact O-CD 3.46Å; P39-R78 HydrophobicContact CG-CB 4.18Å; P39-C79 PolarHBondContact O-SG 3.28Å
40	S	78.9	Confident	65.2	Low	88 Å²	88	96.8 Å²	96.8	62%	0.615	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-103.8	133.8	-179.6	62.8	0	0	0	0	108.1	S38 K75	S38-S40 PolarHBondContact O-N 3.28Å; S40-K75 WeakPolarHBondContact O-CE 3.37Å; S40-K75 PolarHBondContact O-NZ 2.93Å
41	L	85.9	Confident	67.4	Low	14 Å²	14	94.3 Å²	94.3	7%	0.073	57%	0.572	C	S	.	*	P	Polyproline II helix	trans	-81.9	129.1	173	-66.8	168.4	0	0	0	108.9	E45 R46 L49 K75 A76 C79 Y80	L41-E45 WeakPolarHBondContact CA-OE2 3.49Å; L41-E45 HydrophobicContact CB-CB 4.47Å; L41-E45 HydrophobicContact CD2-CB 4.26Å; L41-R46 HydrophobicContact CB-CG 3.75Å; L41-R46 HydrophobicContact CD1-CG 4.35Å; L41-R46 PolarHBondContact O-NE 2.98Å; L41-R46 VanDerWaalsContact O-NE 3.15Å; L41-R46 PolarHBondContact O-NH2 3.2Å; L41-L49 HydrophobicContact CD1-CD1 3.71Å; L41-L49 HydrophobicContact CD2-CD1 4.02Å; L41-L49 HydrophobicContact CG-CD1 4.46Å; L41-K75 HydrophobicContact CD2-CD 4.24Å; L41-K75 HydrophobicContact CD2-CG 4.21Å; L41-A76 HydrophobicContact CD1-CB 4.33Å; L41-A76 HydrophobicContact CD2-CB 4.35Å; L41-C79 HydrophobicContact CD1-CB 4.14Å; L41-C79 HydrophobicContact CG-CB 4.06Å; L41-Y80 HydrophobicContact CD1-CD1 4.35Å; L41-Y80 HydrophobicContact CD1-CE1 3.84Å
42	T	89.6	Confident	70.2	Confident	68 Å²	68	90.5 Å²	90.5	42%	0.417	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-66.8	164.1	171.2	71.3	0	0	0	0	110.3	E44 E45 R46	T42-E44 VanDerWaalsContact C-N 3.32Å; T42-E44 PolarHBondContact O-N 2.73Å; T42-E45 PolarHBondContact N-OE2 3.04Å; T42-E45 PolarHBondContact O-N 2.8Å; T42-E45 WeakPolarHBondContact OG1-CB 3.36Å; T42-E45 WeakPolarHBondContact OG1-CG 3.4Å; T42-E45 PolarHBondContact OG1-N 3.05Å; T42-R46 WeakPolarHBondContact O-CG 3.23Å; T42-R46 PolarHBondContact O-N 3.4Å
43	A	86.7	Confident	73.1	Confident	83 Å²	83	88.1 Å²	88.1	69%	0.686	51%	0.514	S	S	*	.	H	α-helix	trans	-60.6	-43.7	178.4	0	0	0	0	0	111.8	E45 R46 E47	A43-E45 PolarHBondContact O-N 3.39Å; A43-R46 PolarHBondContact O-N 3.44Å; A43-E47 PolarHBondContact O-N 3.13Å
44	E	86.9	Confident	76	Confident	160 Å²	160	79.1 Å²	79.1	75%	0.748	47%	0.472	S	S	*	.	H	α-helix	trans	-60.4	-42.7	176.4	-63	173.4	-178.4	0	0	112	T42 R46 E47 A48	T42-E44 VanDerWaalsContact C-N 3.32Å; T42-E44 PolarHBondContact O-N 2.73Å; E44-R46 VanDerWaalsContact C-N 3.35Å; E44-R46 PolarHBondContact O-N 2.86Å; E44-E47 PolarHBondContact O-N 2.83Å; E44-A48 WeakPolarHBondContact O-CB 3.49Å; E44-A48 PolarHBondContact O-N 3.47Å
45	E	88.3	Confident	78.8	Confident	42 Å²	42	79 Å²	79	20%	0.196	46%	0.455	C	S	.	.	H	α-helix	trans	-63.6	-40.1	176.6	-75	175	153.7	0	0	111.7	L41 T42 A43 A48 L49 L72 K75	L41-E45 WeakPolarHBondContact CA-OE2 3.49Å; L41-E45 HydrophobicContact CB-CB 4.47Å; L41-E45 HydrophobicContact CD2-CB 4.26Å; T42-E45 PolarHBondContact N-OE2 3.04Å; T42-E45 PolarHBondContact O-N 2.8Å; T42-E45 WeakPolarHBondContact OG1-CB 3.36Å; T42-E45 WeakPolarHBondContact OG1-CG 3.4Å; T42-E45 PolarHBondContact OG1-N 3.05Å; A43-E45 PolarHBondContact O-N 3.39Å; E45-A48 PolarHBondContact O-N 3.11Å; E45-L49 WeakPolarHBondContact O-CB 3.28Å; E45-L49 WeakPolarHBondContact O-CD1 3.39Å; E45-L49 WeakPolarHBondContact O-CG 3.38Å; E45-L49 PolarHBondContact O-N 3.42Å; E45-L72 HydrophobicContact CB-CD1 3.83Å; E45-L72 HydrophobicContact CG-CD1 3.63Å; E45-K75 IonicContact OE1-NZ 2.73Å; E45-K75 PolarHBondContact OE1-NZ 2.66Å; E45-K75 IonicContact OE2-NZ 2.73Å; E45-K75 PolarHBondContact OE2-NZ 2.7Å
46	R	86.6	Confident	81.2	Confident	155 Å²	155	72.6 Å²	72.6	59%	0.585	43%	0.427	S	S	*	.	H	α-helix	trans	-66.4	-39.9	177.2	-68.3	177.2	-160.6	-167.6	2	112.1	L41 T42 A43 E44 L49 G50	L41-R46 HydrophobicContact CB-CG 3.75Å; L41-R46 HydrophobicContact CD1-CG 4.35Å; L41-R46 PolarHBondContact O-NE 2.98Å; L41-R46 VanDerWaalsContact O-NE 3.15Å; L41-R46 PolarHBondContact O-NH2 3.2Å; T42-R46 WeakPolarHBondContact O-CG 3.23Å; T42-R46 PolarHBondContact O-N 3.4Å; A43-R46 PolarHBondContact O-N 3.44Å; E44-R46 VanDerWaalsContact C-N 3.35Å; E44-R46 PolarHBondContact O-N 2.86Å; R46-L49 PolarHBondContact O-N 3.43Å; R46-G50 PolarHBondContact O-N 2.98Å; R46-G50 VanDerWaalsContact O-N 3.11Å
47	E	87.1	Confident	83.3	Confident	162 Å²	162	65.6 Å²	65.6	76%	0.757	39%	0.394	S	S	*	.	H	α-helix	trans	-62.6	-46.8	175.7	-174.1	176.2	-177.5	0	0	110.8	A43 E44 L49 G50	A43-E47 PolarHBondContact O-N 3.13Å; E44-E47 PolarHBondContact O-N 2.83Å; E47-L49 VanDerWaalsContact C-N 3.28Å; E47-L49 PolarHBondContact O-N 2.88Å; E47-G50 PolarHBondContact O-N 3.25Å; E47-G50 VanDerWaalsContact O-N 3.14Å
48	A	86.2	Confident	85.1	Confident	55 Å²	55	63 Å²	63	46%	0.455	38%	0.376	S	S	.	.	H	α-helix	trans	-60.7	-36.3	176.5	0	0	0	0	0	112.9	E44 E45 L72	E44-A48 WeakPolarHBondContact O-CB 3.49Å; E44-A48 PolarHBondContact O-N 3.47Å; E45-A48 PolarHBondContact O-N 3.11Å; A48-L72 HydrophobicContact CB-CD2 4.04Å
49	L	87.3	Confident	86	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.026	37%	0.366	C	S	.	.	H	α-helix	trans	-71.7	-27.4	177.4	-72.1	167.5	0	0	0	113.3	L41 E45 R46 E47 G51 L52 L72 L73 A76 F102	L41-L49 HydrophobicContact CD1-CD1 3.71Å; L41-L49 HydrophobicContact CD2-CD1 4.02Å; L41-L49 HydrophobicContact CG-CD1 4.46Å; E45-L49 WeakPolarHBondContact O-CB 3.28Å; E45-L49 WeakPolarHBondContact O-CD1 3.39Å; E45-L49 WeakPolarHBondContact O-CG 3.38Å; E45-L49 PolarHBondContact O-N 3.42Å; R46-L49 PolarHBondContact O-N 3.43Å; E47-L49 VanDerWaalsContact C-N 3.28Å; E47-L49 PolarHBondContact O-N 2.88Å; L49-G51 PolarHBondContact O-N 2.97Å; L49-L52 HydrophobicContact CD2-CD1 3.95Å; L49-L52 PolarHBondContact O-N 3.22Å; L49-L72 HydrophobicContact CD2-CD2 4.28Å; L49-L72 HydrophobicContact CD2-CG 3.99Å; L49-L72 HydrophobicContact CG-CD2 4.36Å; L49-L72 HydrophobicContact CG-CG 4.29Å; L49-L73 HydrophobicContact CD2-CD2 4.14Å; L49-A76 HydrophobicContact CD1-CB 3.5Å; L49-A76 VanDerWaalsContact CD1-CB 3.5Å; L49-A76 HydrophobicContact CD2-CB 3.78Å; L49-A76 HydrophobicContact CG-CB 4.3Å; L49-F102 HydrophobicContact CB-CZ 4.06Å; L49-F102 HydrophobicContact CD2-CE1 4.22Å; L49-F102 HydrophobicContact CD2-CE2 4.36Å; L49-F102 HydrophobicContact CD2-CZ 3.99Å; L49-F102 HydrophobicContact CG-CZ 4.47Å
50	G	84.4	Confident	85.7	Confident	63 Å²	63	61.1 Å²	61.1	65%	0.649	36%	0.357	S	S	*	.	H	α-helix	trans	-62	-24.6	-176.9	0	0	0	0	0	114	R46 E47	R46-G50 PolarHBondContact O-N 2.98Å; R46-G50 VanDerWaalsContact O-N 3.11Å; E47-G50 PolarHBondContact O-N 3.25Å; E47-G50 VanDerWaalsContact O-N 3.14Å
51	G	84.3	Confident	84.5	Confident	54 Å²	54	64.9 Å²	64.9	56%	0.557	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-3.7	175.5	0	0	0	0	0	115	L49	L49-G51 PolarHBondContact O-N 2.97Å
52	L	90.6	Very high	82.8	Confident	28 Å²	28	72.4 Å²	72.4	15%	0.147	39%	0.39	C	S	.	.			trans	-94.5	113.8	-174.6	-58.8	-177.9	0	0	0	111.3	L49 L56 T69 L73 F102 L105	L49-L52 HydrophobicContact CD2-CD1 3.95Å; L49-L52 PolarHBondContact O-N 3.22Å; L52-L56 HydrophobicContact CB-CD1 4.36Å; L52-L56 HydrophobicContact CD2-CD1 3.35Å; L52-L56 HydrophobicContact CG-CD1 4.44Å; L52-T69 HydrophobicContact CD1-CG2 3.98Å; L52-T69 HydrophobicContact CD2-CG2 4.35Å; L52-L73 HydrophobicContact CD1-CD2 3.72Å; L52-L73 HydrophobicContact CD1-CG 4.13Å; L52-F102 HydrophobicContact CB-CE1 4.13Å; L52-L105 HydrophobicContact CB-CD1 4.18Å
53	D	93	Very high	81.2	Confident	20 Å²	20	75 Å²	75	11%	0.107	40%	0.398	C	S	.	.			trans	-139.1	-175.9	175.8	65.2	35	0	0	0	112.7	R55 L56	D53-R55 VanDerWaalsContact CG-NE 3.3Å; D53-R55 PolarHBondContact O-N 3.4Å; D53-R55 VanDerWaalsContact O-N 3.11Å; D53-R55 WeakPolarHBondContact OD1-CA 3.2Å; D53-R55 WeakPolarHBondContact OD1-CB 3.47Å; D53-R55 VanDerWaalsContact OD1-CG 3.27Å; D53-R55 WeakPolarHBondContact OD1-CG 3.42Å; D53-R55 PolarHBondContact OD1-N 3.22Å; D53-R55 IonicContact OD1-NE 2.8Å; D53-R55 PolarHBondContact OD1-NE 3.08Å; D53-R55 VanDerWaalsContact OD1-NE 3.12Å; D53-R55 IonicContact OD2-CZ 2.77Å; D53-R55 IonicContact OD2-NE 3.2Å; D53-R55 PolarHBondContact OD2-NE 2.72Å; D53-R55 IonicContact OD2-NH2 2.74Å; D53-R55 PolarHBondContact OD2-NH2 3.49Å; D53-L56 PolarHBondContact O-N 3.19Å; D53-L56 VanDerWaalsContact O-N 3.14Å
54	S	93.8	Very high	79.7	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-56.7	-23.8	179.6	54.2	0	0	0	0	114.1	L56 F57 H101 A131 Y134	S54-L56 PolarHBondContact O-N 3.41Å; S54-F57 WeakPolarHBondContact O-CB 3.5Å; S54-F57 PolarHBondContact O-N 3.25Å; S54-H101 WeakPolarHBondContact CB-ND1 3.38Å; S54-H101 PolarHBondContact N-ND1 3.23Å; S54-A131 PolarHBondContact OG-O 3.23Å; S54-Y134 WeakPolarHBondContact O-CE1 3.48Å
55	R	92.4	Very high	78.9	Confident	104 Å²	104	75.6 Å²	75.6	39%	0.392	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-66.6	-18.5	-179.7	-56.4	174.7	-69.4	178	-3.7	111.9	D53 F57 F163 R165	D53-R55 VanDerWaalsContact CG-NE 3.3Å; D53-R55 PolarHBondContact O-N 3.4Å; D53-R55 VanDerWaalsContact O-N 3.11Å; D53-R55 WeakPolarHBondContact OD1-CA 3.2Å; D53-R55 WeakPolarHBondContact OD1-CB 3.47Å; D53-R55 VanDerWaalsContact OD1-CG 3.27Å; D53-R55 WeakPolarHBondContact OD1-CG 3.42Å; D53-R55 PolarHBondContact OD1-N 3.22Å; D53-R55 IonicContact OD1-NE 2.8Å; D53-R55 PolarHBondContact OD1-NE 3.08Å; D53-R55 VanDerWaalsContact OD1-NE 3.12Å; D53-R55 IonicContact OD2-CZ 2.77Å; D53-R55 IonicContact OD2-NE 3.2Å; D53-R55 PolarHBondContact OD2-NE 2.72Å; D53-R55 IonicContact OD2-NH2 2.74Å; D53-R55 PolarHBondContact OD2-NH2 3.49Å; R55-F57 VanDerWaalsContact C-N 3.34Å; R55-F163 HydrophobicContact CG-CE1 4.34Å; R55-F163 HydrophobicContact CG-CE2 4.05Å; R55-F163 HydrophobicContact CG-CZ 3.57Å; R55-R165 HydrophobicContact CB-CG 4.3Å; R55-R165 VanDerWaalsContact O-CZ 3.28Å; R55-R165 PolarHBondContact O-NE 3.33Å; R55-R165 PolarHBondContact O-NH2 3.36Å
56	L	90.9	Very high	78.5	Confident	56 Å²	56	74.2 Å²	74.2	29%	0.293	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-84.7	-10	175.5	-58.1	178.3	0	0	0	112.9	L52 D53 S54 G58 F59 V60 L105	L52-L56 HydrophobicContact CB-CD1 4.36Å; L52-L56 HydrophobicContact CD2-CD1 3.35Å; L52-L56 HydrophobicContact CG-CD1 4.44Å; D53-L56 PolarHBondContact O-N 3.19Å; D53-L56 VanDerWaalsContact O-N 3.14Å; S54-L56 PolarHBondContact O-N 3.41Å; L56-G58 PolarHBondContact O-N 3.48Å; L56-F59 WeakPolarHBondContact O-CA 3.49Å; L56-F59 PolarHBondContact O-N 3.39Å; L56-V60 HydrophobicContact CB-CG2 3.78Å; L56-V60 WeakPolarHBondContact O-CG2 3.42Å; L56-V60 PolarHBondContact O-N 2.86Å; L56-V60 VanDerWaalsContact O-N 3.13Å; L56-L105 HydrophobicContact CB-CD2 3.91Å
57	F	89.9	Confident	78.4	Confident	27 Å²	27	70.8 Å²	70.8	12%	0.118	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	131.2	-179.3	-178.1	-93.6	0	0	0	111.4	S54 R55 F59 L104 L105 E107 Y109 L138	S54-F57 WeakPolarHBondContact O-CB 3.5Å; S54-F57 PolarHBondContact O-N 3.25Å; R55-F57 VanDerWaalsContact C-N 3.34Å; F57-F59 WeakPolarHBondContact O-CD2 3.34Å; F57-F59 PolarHBondContact O-N 3.13Å; F57-L104 HydrophobicContact CD2-CD1 3.87Å; F57-L104 HydrophobicContact CD2-CG 3.77Å; F57-L104 WeakPolarHBondContact CD2-O 3.47Å; F57-L104 HydrophobicContact CE2-CD1 3.94Å; F57-L104 HydrophobicContact CE2-CG 4.32Å; F57-L104 WeakPolarHBondContact CE2-O 3.42Å; F57-L104 HydrophobicContact CG-CG 4.35Å; F57-L105 HydrophobicContact CB-CD2 4.12Å; F57-E107 HydrophobicContact CE2-CG 4.15Å; F57-Y109 HydrophobicContact CE2-CE1 4.34Å; F57-Y109 HydrophobicContact CZ-CE1 4.31Å; F57-Y109 WeakPolarHBondContact CZ-OH 3.25Å; F57-L138 HydrophobicContact CB-CD1 3.81Å; F57-L138 HydrophobicContact CD1-CD1 3.62Å; F57-L138 HydrophobicContact CD1-CD2 4.13Å; F57-L138 HydrophobicContact CD1-CG 4.43Å; F57-L138 HydrophobicContact CE1-CD1 4.46Å; F57-L138 HydrophobicContact CE1-CD2 4.39Å; F57-L138 HydrophobicContact CG-CD1 3.81Å
58	G	81.2	Confident	78.3	Confident	36 Å²	36	71.8 Å²	71.8	37%	0.371	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	-17.2	-174.2	0	0	0	0	0	115	L56	L56-G58 PolarHBondContact O-N 3.48Å
59	F	74.3	Confident	78.4	Confident	45 Å²	45	70.6 Å²	70.6	20%	0.197	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-18.6	-177.9	-68.7	-94	0	0	0	114.1	L56 F57 R61 F62 P199	L56-F59 WeakPolarHBondContact O-CA 3.49Å; L56-F59 PolarHBondContact O-N 3.39Å; F57-F59 WeakPolarHBondContact O-CD2 3.34Å; F57-F59 PolarHBondContact O-N 3.13Å; F59-R61 PolarHBondContact O-N 3.44Å; F59-F62 HydrophobicContact CD1-CD2 4.47Å; F59-F62 PolarHBondContact O-N 2.87Å; F59-P199 HydrophobicContact CE1-CB 3.96Å; F59-P199 HydrophobicContact CZ-CB 4.44Å
60	V	62	Low	78.4	Confident	18 Å²	18	73.8 Å²	73.8	11%	0.109	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-56.1	-26.1	176.1	176.9	0	0	0	0	112.8	L56 F62 T69 L105	L56-V60 HydrophobicContact CB-CG2 3.78Å; L56-V60 WeakPolarHBondContact O-CG2 3.42Å; L56-V60 PolarHBondContact O-N 2.86Å; L56-V60 VanDerWaalsContact O-N 3.13Å; V60-F62 VanDerWaalsContact C-N 3.29Å; V60-F62 PolarHBondContact O-N 3.22Å; V60-T69 HydrophobicContact CG1-CG2 4.17Å; V60-L105 HydrophobicContact CG2-CD2 3.99Å
61	R	53.4	Low	78.7	Confident	168 Å²	168	74 Å²	74	63%	0.634	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-72.5	-17.7	178.6	-64.3	-174	-175.5	-172.6	0.5	114	F59 E107	F59-R61 PolarHBondContact O-N 3.44Å; R61-E107 IonicContact CZ-OE1 2.82Å; R61-E107 IonicContact NE-OE1 3.81Å; R61-E107 PolarHBondContact NE-OE1 3.35Å; R61-E107 IonicContact NH2-OE1 2.75Å; R61-E107 PolarHBondContact NH2-OE1 2.93Å; R61-E107 IonicContact NH2-OE2 2.89Å; R61-E107 PolarHBondContact NH2-OE2 2.97Å
62	F	49.3	Very low	79	Confident	171 Å²	171	73 Å²	73	75%	0.75	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-92.1	-5.6	-176.7	-66.6	-77.7	0	0	0	114.1	F59 V60	F59-F62 HydrophobicContact CD1-CD2 4.47Å; F59-F62 PolarHBondContact O-N 2.87Å; V60-F62 VanDerWaalsContact C-N 3.29Å; V60-F62 PolarHBondContact O-N 3.22Å
63	H	55.9	Low	79.1	Confident	124 Å²	124	71.6 Å²	71.6	57%	0.574	36%	0.357	S	S	*	.	S	Bend	trans	-90.3	140	174.6	-152.3	-91.6	0	0	0	110.2	D65 G66	H63-D65 IonicContact CE1-OD2 3.74Å; H63-D65 IonicContact ND1-OD2 3.66Å; H63-D65 PolarHBondContact O-N 3.4Å; H63-G66 PolarHBondContact O-N 3.17Å
64	E	56.4	Low	79.1	Confident	200 Å²	200	71.5 Å²	71.5	94%	0.935	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-19.3	179.1	-66.2	-173	150.8	0	0	113.2
65	D	70.3	Confident	79.1	Confident	55 Å²	55	73.9 Å²	73.9	29%	0.294	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	10.7	179.8	-68.6	-55.3	0	0	0	114.9	H63 A67 R68 T69	H63-D65 IonicContact CE1-OD2 3.74Å; H63-D65 IonicContact ND1-OD2 3.66Å; H63-D65 PolarHBondContact O-N 3.4Å; D65-A67 PolarHBondContact O-N 2.96Å; D65-R68 HydrophobicContact CB-CB 4.38Å; D65-R68 WeakPolarHBondContact O-CA 3.45Å; D65-R68 WeakPolarHBondContact O-CB 3.31Å; D65-R68 PolarHBondContact O-N 2.93Å; D65-R68 WeakPolarHBondContact OD1-CD 3.21Å; D65-R68 IonicContact OD1-CZ 2.64Å; D65-R68 IonicContact OD1-NE 3.06Å; D65-R68 IonicContact OD1-NH1 3.12Å; D65-R68 PolarHBondContact OD1-NH1 2.86Å; D65-T69 PolarHBondContact O-N 2.88Å; D65-T69 PolarHBondContact O-OG1 3.06Å
66	G	79.7	Confident	79.1	Confident	13 Å²	13	68.9 Å²	68.9	13%	0.134	35%	0.352	C	S	.	.	H	α-helix	trans	-52.3	-35.9	-173.3	0	0	0	0	0	114.7	H63 K70	H63-G66 PolarHBondContact O-N 3.17Å; G66-K70 WeakPolarHBondContact O-CB 3.47Å; G66-K70 WeakPolarHBondContact O-CG 3.46Å; G66-K70 PolarHBondContact O-N 3.28Å
67	A	83.5	Confident	79.2	Confident	83 Å²	83	66.6 Å²	66.6	69%	0.686	34%	0.341	S	S	*	.	H	α-helix	trans	-68.7	-39.7	174.6	0	0	0	0	0	112.9	D65 K70 A71	D65-A67 PolarHBondContact O-N 2.96Å; A67-K70 PolarHBondContact O-N 3.43Å; A67-A71 WeakPolarHBondContact O-CB 3.27Å; A67-A71 PolarHBondContact O-N 2.96Å
68	R	85.6	Confident	79.4	Confident	182 Å²	182	72 Å²	72	69%	0.687	36%	0.36	S	S	*	.	H	α-helix	trans	-66.7	-43.6	175.4	-65.3	-177.5	179.2	159.9	-9.5	110.8	D65 K70 A71 L72	D65-R68 HydrophobicContact CB-CB 4.38Å; D65-R68 WeakPolarHBondContact O-CA 3.45Å; D65-R68 WeakPolarHBondContact O-CB 3.31Å; D65-R68 PolarHBondContact O-N 2.93Å; D65-R68 WeakPolarHBondContact OD1-CD 3.21Å; D65-R68 IonicContact OD1-CZ 2.64Å; D65-R68 IonicContact OD1-NE 3.06Å; D65-R68 IonicContact OD1-NH1 3.12Å; D65-R68 PolarHBondContact OD1-NH1 2.86Å; R68-K70 PolarHBondContact O-N 3.48Å; R68-A71 PolarHBondContact O-N 3.4Å; R68-L72 WeakPolarHBondContact O-CB 3.46Å; R68-L72 PolarHBondContact O-N 2.88Å
69	T	87.5	Confident	79.8	Confident	30 Å²	30	70.5 Å²	70.5	18%	0.184	34%	0.344	C	S	.	.	H	α-helix	trans	-61.5	-43.9	176	-52.7	0	0	0	0	111.2	L52 V60 D65 A71 L72 L73	L52-T69 HydrophobicContact CD1-CG2 3.98Å; L52-T69 HydrophobicContact CD2-CG2 4.35Å; V60-T69 HydrophobicContact CG1-CG2 4.17Å; D65-T69 PolarHBondContact O-N 2.88Å; D65-T69 PolarHBondContact O-OG1 3.06Å; T69-A71 PolarHBondContact O-N 2.93Å; T69-L72 PolarHBondContact O-N 2.85Å; T69-L73 HydrophobicContact CG2-CD1 4.16Å; T69-L73 HydrophobicContact CG2-CG 4.44Å; T69-L73 WeakPolarHBondContact O-CB 3.31Å; T69-L73 VanDerWaalsContact O-CG 3.25Å; T69-L73 WeakPolarHBondContact O-CG 3.19Å; T69-L73 PolarHBondContact O-N 2.88Å
70	K	88.4	Confident	80.6	Confident	72 Å²	72	69.6 Å²	69.6	31%	0.313	34%	0.34	S	S	.	.	H	α-helix	trans	-62.3	-42	174.7	-77.4	-174.3	173.7	-162.3	0	112.5	G66 A67 R68 L73 G74 L106 E107	G66-K70 WeakPolarHBondContact O-CB 3.47Å; G66-K70 WeakPolarHBondContact O-CG 3.46Å; G66-K70 PolarHBondContact O-N 3.28Å; A67-K70 PolarHBondContact O-N 3.43Å; R68-K70 PolarHBondContact O-N 3.48Å; K70-L73 PolarHBondContact O-N 2.95Å; K70-G74 PolarHBondContact O-N 3.34Å; K70-L106 HydrophobicContact CB-CD2 4.31Å; K70-L106 HydrophobicContact CG-CD2 4.37Å; K70-E107 IonicContact NZ-OE1 3.63Å
71	A	90.3	Very high	82	Confident	67 Å²	67	72.3 Å²	72.3	55%	0.554	35%	0.351	S	S	*	.	H	α-helix	trans	-63.4	-42.4	176	0	0	0	0	0	111.9	A67 R68 T69 G74 K75	A67-A71 WeakPolarHBondContact O-CB 3.27Å; A67-A71 PolarHBondContact O-N 2.96Å; R68-A71 PolarHBondContact O-N 3.4Å; T69-A71 PolarHBondContact O-N 2.93Å; A71-G74 PolarHBondContact O-N 3.23Å; A71-K75 PolarHBondContact O-N 3.11Å
72	L	91.4	Very high	83.7	Confident	33 Å²	33	66.1 Å²	66.1	17%	0.173	33%	0.333	C	S	.	.	H	α-helix	trans	-63.5	-46.6	176.4	179.8	60.1	0	0	0	111.8	E45 A48 L49 R68 T69 G74 K75 A76	E45-L72 HydrophobicContact CB-CD1 3.83Å; E45-L72 HydrophobicContact CG-CD1 3.63Å; A48-L72 HydrophobicContact CB-CD2 4.04Å; L49-L72 HydrophobicContact CD2-CD2 4.28Å; L49-L72 HydrophobicContact CD2-CG 3.99Å; L49-L72 HydrophobicContact CG-CD2 4.36Å; L49-L72 HydrophobicContact CG-CG 4.29Å; R68-L72 WeakPolarHBondContact O-CB 3.46Å; R68-L72 PolarHBondContact O-N 2.88Å; T69-L72 PolarHBondContact O-N 2.85Å; L72-G74 VanDerWaalsContact C-N 3.33Å; L72-G74 PolarHBondContact O-N 3.18Å; L72-K75 WeakPolarHBondContact O-CB 3.46Å; L72-K75 PolarHBondContact O-N 3.31Å; L72-A76 WeakPolarHBondContact O-CB 3.43Å; L72-A76 PolarHBondContact O-N 3.11Å
73	L	92.4	Very high	85.6	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-58.6	-44.6	174.4	-73.8	170.5	0	0	0	111.2	L49 L52 T69 K70 K75 A76 V77 F102 L105 L106	L49-L73 HydrophobicContact CD2-CD2 4.14Å; L52-L73 HydrophobicContact CD1-CD2 3.72Å; L52-L73 HydrophobicContact CD1-CG 4.13Å; T69-L73 HydrophobicContact CG2-CD1 4.16Å; T69-L73 HydrophobicContact CG2-CG 4.44Å; T69-L73 WeakPolarHBondContact O-CB 3.31Å; T69-L73 VanDerWaalsContact O-CG 3.25Å; T69-L73 WeakPolarHBondContact O-CG 3.19Å; T69-L73 PolarHBondContact O-N 2.88Å; K70-L73 PolarHBondContact O-N 2.95Å; L73-K75 VanDerWaalsContact C-N 3.33Å; L73-K75 PolarHBondContact O-N 3.29Å; L73-A76 WeakPolarHBondContact O-CB 3.46Å; L73-A76 PolarHBondContact O-N 2.91Å; L73-V77 WeakPolarHBondContact O-CG2 3.48Å; L73-V77 PolarHBondContact O-N 3.41Å; L73-F102 HydrophobicContact CD2-CB 3.86Å; L73-F102 HydrophobicContact CD2-CD1 3.33Å; L73-F102 HydrophobicContact CD2-CE1 4.02Å; L73-F102 HydrophobicContact CD2-CG 3.68Å; L73-L105 HydrophobicContact CD1-CB 3.69Å; L73-L105 HydrophobicContact CD1-CD1 4.1Å; L73-L105 HydrophobicContact CD2-CD1 4.31Å; L73-L106 HydrophobicContact CB-CD1 4.13Å; L73-L106 HydrophobicContact CB-CD2 3.87Å; L73-L106 HydrophobicContact CB-CG 3.96Å; L73-L106 HydrophobicContact CD1-CD2 4.44Å
74	G	92.6	Very high	87.1	Confident	17 Å²	17	58.4 Å²	58.4	18%	0.175	30%	0.303	C	S	.	.	H	α-helix	trans	-62.6	-38.6	176.5	0	0	0	0	0	112.9	K70 A71 L72 R78	K70-G74 PolarHBondContact O-N 3.34Å; A71-G74 PolarHBondContact O-N 3.23Å; L72-G74 VanDerWaalsContact C-N 3.33Å; L72-G74 PolarHBondContact O-N 3.18Å; G74-R78 PolarHBondContact O-N 2.87Å; G74-R78 PolarHBondContact O-NH1 3.41Å
75	K	93.3	Very high	88.6	Confident	50 Å²	50	55.8 Å²	55.8	22%	0.217	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-48.3	171.7	-173.4	-176.5	177.4	-171.2	0	110.4	S40 L41 E45 A71 L72 L73 V77 R78 C79	S40-K75 WeakPolarHBondContact O-CE 3.37Å; S40-K75 PolarHBondContact O-NZ 2.93Å; L41-K75 HydrophobicContact CD2-CD 4.24Å; L41-K75 HydrophobicContact CD2-CG 4.21Å; E45-K75 IonicContact OE1-NZ 2.73Å; E45-K75 PolarHBondContact OE1-NZ 2.66Å; E45-K75 IonicContact OE2-NZ 2.73Å; E45-K75 PolarHBondContact OE2-NZ 2.7Å; A71-K75 PolarHBondContact O-N 3.11Å; L72-K75 WeakPolarHBondContact O-CB 3.46Å; L72-K75 PolarHBondContact O-N 3.31Å; L73-K75 VanDerWaalsContact C-N 3.33Å; L73-K75 PolarHBondContact O-N 3.29Å; K75-V77 PolarHBondContact O-N 2.99Å; K75-R78 PolarHBondContact O-N 3.25Å; K75-C79 PolarHBondContact O-N 3.22Å; K75-C79 PolarHBondContact O-SG 2.88Å
76	A	92.1	Very high	89.4	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.2	-44.9	-179.1	0	0	0	0	0	113.1	L41 L49 L72 L73 R78 C79 Y80 F102	L41-A76 HydrophobicContact CD1-CB 4.33Å; L41-A76 HydrophobicContact CD2-CB 4.35Å; L49-A76 HydrophobicContact CD1-CB 3.5Å; L49-A76 VanDerWaalsContact CD1-CB 3.5Å; L49-A76 HydrophobicContact CD2-CB 3.78Å; L49-A76 HydrophobicContact CG-CB 4.3Å; L72-A76 WeakPolarHBondContact O-CB 3.43Å; L72-A76 PolarHBondContact O-N 3.11Å; L73-A76 WeakPolarHBondContact O-CB 3.46Å; L73-A76 PolarHBondContact O-N 2.91Å; A76-R78 PolarHBondContact O-N 3.25Å; A76-C79 WeakPolarHBondContact O-CB 3.41Å; A76-C79 PolarHBondContact O-N 2.94Å; A76-Y80 WeakPolarHBondContact O-CD1 3.38Å; A76-Y80 PolarHBondContact O-N 3.35Å; A76-F102 HydrophobicContact CB-CD2 4.07Å; A76-F102 HydrophobicContact CB-CE2 4.05Å
77	V	94.1	Very high	89.6	Confident	8 Å²	8	60.3 Å²	60.3	5%	0.048	32%	0.315	C	S	.	.	H	α-helix	trans	-56.7	-48.2	176.6	169	0	0	0	0	110.8	L73 K75 C79 Y80 E81 L99 F102 L106	L73-V77 WeakPolarHBondContact O-CG2 3.48Å; L73-V77 PolarHBondContact O-N 3.41Å; K75-V77 PolarHBondContact O-N 2.99Å; V77-C79 VanDerWaalsContact C-N 3.33Å; V77-C79 PolarHBondContact O-N 3.25Å; V77-Y80 PolarHBondContact O-N 3.32Å; V77-E81 HydrophobicContact CG1-CG 4.28Å; V77-E81 WeakPolarHBondContact O-CB 3.32Å; V77-E81 WeakPolarHBondContact O-CG 3.19Å; V77-E81 PolarHBondContact O-N 3.19Å; V77-L99 HydrophobicContact CB-CD1 4.38Å; V77-L99 HydrophobicContact CG1-CD1 4.07Å; V77-L99 HydrophobicContact CG2-CD1 4.2Å; V77-F102 HydrophobicContact CG2-CB 3.76Å; V77-L106 HydrophobicContact CG2-CD1 3.93Å
78	R	92.8	Very high	89.4	Confident	139 Å²	139	65.2 Å²	65.2	53%	0.525	32%	0.323	S	S	.	.	H	α-helix	trans	-61.3	-41	177.4	-67.9	-167.1	-58.1	-84.7	4.7	112.5	P39 G74 K75 A76 S82	P39-R78 HydrophobicContact CG-CB 4.18Å; G74-R78 PolarHBondContact O-N 2.87Å; G74-R78 PolarHBondContact O-NH1 3.41Å; K75-R78 PolarHBondContact O-N 3.25Å; A76-R78 PolarHBondContact O-N 3.25Å; R78-S82 WeakPolarHBondContact O-CB 3.37Å; R78-S82 PolarHBondContact O-N 3.44Å
79	C	91.5	Very high	88.9	Confident	5 Å²	5	59.1 Å²	59.1	3%	0.034	32%	0.317	C	S	.	.	H	α-helix	trans	-62.2	-45.4	176.6	-57.2	0	0	0	0	111.2	P39 L41 K75 A76 V77 S82 L83	P39-C79 PolarHBondContact O-SG 3.28Å; L41-C79 HydrophobicContact CD1-CB 4.14Å; L41-C79 HydrophobicContact CG-CB 4.06Å; K75-C79 PolarHBondContact O-N 3.22Å; K75-C79 PolarHBondContact O-SG 2.88Å; A76-C79 WeakPolarHBondContact O-CB 3.41Å; A76-C79 PolarHBondContact O-N 2.94Å; V77-C79 VanDerWaalsContact C-N 3.33Å; V77-C79 PolarHBondContact O-N 3.25Å; C79-S82 PolarHBondContact O-N 2.88Å; C79-L83 VanDerWaalsContact O-CG 3.27Å; C79-L83 WeakPolarHBondContact O-CG 3.19Å; C79-L83 PolarHBondContact O-N 2.93Å
80	Y	90.3	Very high	88.4	Confident	27 Å²	27	66.8 Å²	66.8	11%	0.106	35%	0.348	C	S	.	.	H	α-helix	trans	-68.3	-43.3	-178.2	-82.3	44.2	0	0	0	111.1	L41 A76 V77 S82 L83 I84 F95 Q98 F102	L41-Y80 HydrophobicContact CD1-CD1 4.35Å; L41-Y80 HydrophobicContact CD1-CE1 3.84Å; A76-Y80 WeakPolarHBondContact O-CD1 3.38Å; A76-Y80 PolarHBondContact O-N 3.35Å; V77-Y80 PolarHBondContact O-N 3.32Å; Y80-S82 VanDerWaalsContact C-N 3.33Å; Y80-S82 PolarHBondContact O-N 2.94Å; Y80-L83 PolarHBondContact O-N 3.41Å; Y80-I84 WeakPolarHBondContact O-CB 3.46Å; Y80-I84 WeakPolarHBondContact O-CD1 3.44Å; Y80-I84 VanDerWaalsContact O-CG1 3.23Å; Y80-I84 WeakPolarHBondContact O-CG1 3.47Å; Y80-I84 PolarHBondContact O-N 2.93Å; Y80-F95 AromaticContact CD2-CD1 3.82Å; Y80-F95 HydrophobicContact CD2-CD1 3.82Å; Y80-F95 AromaticContact CE2-CD1 3.65Å; Y80-F95 HydrophobicContact CE2-CD1 3.65Å; Y80-F95 HydrophobicContact CE2-CE1 4.23Å; Y80-Q98 HydrophobicContact CE2-CB 3.98Å; Y80-Q98 PolarHBondContact OH-OE1 3.39Å; Y80-Q98 VanDerWaalsContact OH-OE1 3.11Å; Y80-F102 HydrophobicContact CE1-CE2 4.46Å; Y80-F102 HydrophobicContact CE2-CE2 4.09Å
81	E	90.7	Very high	88.3	Confident	75 Å²	75	64.4 Å²	64.4	35%	0.35	34%	0.34	S	S	.	.	H	α-helix	trans	-58.6	-44.1	174.3	-73.1	174.8	162.8	0	0	111.2	V77 I84 L85 K111	V77-E81 HydrophobicContact CG1-CG 4.28Å; V77-E81 WeakPolarHBondContact O-CB 3.32Å; V77-E81 WeakPolarHBondContact O-CG 3.19Å; V77-E81 PolarHBondContact O-N 3.19Å; E81-I84 PolarHBondContact O-N 2.93Å; E81-L85 WeakPolarHBondContact O-CB 3.46Å; E81-L85 PolarHBondContact O-N 3.2Å; E81-K111 IonicContact OE1-NZ 3.39Å; E81-K111 PolarHBondContact OE1-NZ 3.08Å
82	S	90.6	Very high	88.2	Confident	37 Å²	37	67.5 Å²	67.5	26%	0.259	34%	0.342	S	S	.	.	H	α-helix	trans	-63.1	-41.7	175.6	-172.5	0	0	0	0	112.6	R78 C79 Y80 L85 K86	R78-S82 WeakPolarHBondContact O-CB 3.37Å; R78-S82 PolarHBondContact O-N 3.44Å; C79-S82 PolarHBondContact O-N 2.88Å; Y80-S82 VanDerWaalsContact C-N 3.33Å; Y80-S82 PolarHBondContact O-N 2.94Å; S82-L85 PolarHBondContact O-N 3.05Å; S82-K86 WeakPolarHBondContact O-CG 3.48Å; S82-K86 PolarHBondContact O-N 3.21Å; S82-K86 VanDerWaalsContact O-N 3.11Å
83	L	87.8	Confident	88.2	Confident	95 Å²	95	66.5 Å²	66.5	50%	0.497	34%	0.338	S	S	.	.	H	α-helix	trans	-64.9	-43.1	176.8	-73.2	171.4	0	0	0	111.9	C79 Y80 L85 K86 A87	C79-L83 VanDerWaalsContact O-CG 3.27Å; C79-L83 WeakPolarHBondContact O-CG 3.19Å; C79-L83 PolarHBondContact O-N 2.93Å; Y80-L83 PolarHBondContact O-N 3.41Å; L83-L85 VanDerWaalsContact C-N 3.29Å; L83-L85 PolarHBondContact O-N 3.24Å; L83-K86 PolarHBondContact O-N 3.44Å; L83-A87 VanDerWaalsContact O-CB 3.28Å; L83-A87 WeakPolarHBondContact O-CB 3.36Å; L83-A87 PolarHBondContact O-N 2.82Å
84	I	88	Confident	88.1	Confident	39 Å²	39	70.7 Å²	70.7	20%	0.2	36%	0.361	C	S	.	.	H	α-helix	trans	-61.4	-41.7	178	-70.5	162.3	0	0	0	110.7	Y80 E81 A87 V91 F96 L99	Y80-I84 WeakPolarHBondContact O-CB 3.46Å; Y80-I84 WeakPolarHBondContact O-CD1 3.44Å; Y80-I84 VanDerWaalsContact O-CG1 3.23Å; Y80-I84 WeakPolarHBondContact O-CG1 3.47Å; Y80-I84 PolarHBondContact O-N 2.93Å; E81-I84 PolarHBondContact O-N 2.93Å; I84-A87 PolarHBondContact O-N 3.02Å; I84-V91 HydrophobicContact CB-CG2 4.35Å; I84-V91 HydrophobicContact CG1-CG1 4.1Å; I84-V91 HydrophobicContact CG1-CG2 4.13Å; I84-V91 HydrophobicContact CG2-CG2 4.36Å; I84-F96 HydrophobicContact CD1-CD1 4.26Å; I84-F96 HydrophobicContact CD1-CE1 3.88Å; I84-F96 HydrophobicContact CG1-CE1 4.33Å; I84-F96 HydrophobicContact CG2-CE1 4.23Å; I84-F96 HydrophobicContact CG2-CZ 4.34Å; I84-L99 HydrophobicContact CD1-CD2 3.78Å
85	L	87.7	Confident	88	Confident	145 Å²	145	73.5 Å²	73.5	76%	0.759	37%	0.368	S	S	*	.	H	α-helix	trans	-66.1	-38	179.6	-163.9	135.7	0	0	0	112.1	E81 S82 L83	E81-L85 WeakPolarHBondContact O-CB 3.46Å; E81-L85 PolarHBondContact O-N 3.2Å; S82-L85 PolarHBondContact O-N 3.05Å; L83-L85 VanDerWaalsContact C-N 3.29Å; L83-L85 PolarHBondContact O-N 3.24Å
86	K	87.7	Confident	88	Confident	129 Å²	129	72 Å²	72	56%	0.561	36%	0.362	S	S	*	.	H	α-helix	trans	-74.3	-26.4	176.5	-69.9	176.8	-173.4	-178.1	0	113.8	S38 S82 L83 E88	S38-K86 PolarHBondContact OG-NZ 3.44Å; S82-K86 WeakPolarHBondContact O-CG 3.48Å; S82-K86 PolarHBondContact O-N 3.21Å; S82-K86 VanDerWaalsContact O-N 3.11Å; L83-K86 PolarHBondContact O-N 3.44Å; K86-E88 VanDerWaalsContact C-N 3.29Å; K86-E88 PolarHBondContact O-N 3.43Å
87	A	84	Confident	88.2	Confident	34 Å²	34	72.2 Å²	72.2	28%	0.281	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-2.5	-174.8	0	0	0	0	0	114.1	L83 I84 G89 K90 V91	L83-A87 VanDerWaalsContact O-CB 3.28Å; L83-A87 WeakPolarHBondContact O-CB 3.36Å; L83-A87 PolarHBondContact O-N 2.82Å; I84-A87 PolarHBondContact O-N 3.02Å; A87-G89 PolarHBondContact O-N 3.24Å; A87-K90 PolarHBondContact O-N 3.44Å; A87-V91 HydrophobicContact CB-CG2 3.46Å; A87-V91 VanDerWaalsContact CB-CG2 3.46Å
88	E	78.4	Confident	88.2	Confident	185 Å²	185	75.1 Å²	75.1	86%	0.864	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.6	37.8	175.2	-64	-176.2	169.5	0	0	114.2	K86	K86-E88 VanDerWaalsContact C-N 3.29Å; K86-E88 PolarHBondContact O-N 3.43Å
89	G	74.6	Confident	88.3	Confident	54 Å²	54	69.2 Å²	69.2	56%	0.557	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	91	0.1	177.4	0	0	0	0	0	116.4	A87 V91	A87-G89 PolarHBondContact O-N 3.24Å; G89-V91 VanDerWaalsContact C-N 3.26Å; G89-V91 PolarHBondContact O-N 2.89Å
90	K	78.7	Confident	88.5	Confident	191 Å²	191	69 Å²	69	83%	0.83	35%	0.353	S	S	*	.			trans	-89.8	47.3	171.4	-63	-179.6	-176.7	171.9	0	112.4	A87	A87-K90 PolarHBondContact O-N 3.44Å
91	V	85.5	Confident	88.8	Confident	23 Å²	23	68.2 Å²	68.2	14%	0.139	35%	0.351	C	S	.	.			trans	-103.7	130.5	-178.2	-174.6	0	0	0	0	109.3	I84 A87 G89 F95 F96	I84-V91 HydrophobicContact CB-CG2 4.35Å; I84-V91 HydrophobicContact CG1-CG1 4.1Å; I84-V91 HydrophobicContact CG1-CG2 4.13Å; I84-V91 HydrophobicContact CG2-CG2 4.36Å; A87-V91 HydrophobicContact CB-CG2 3.46Å; A87-V91 VanDerWaalsContact CB-CG2 3.46Å; G89-V91 VanDerWaalsContact C-N 3.26Å; G89-V91 PolarHBondContact O-N 2.89Å; V91-F95 HydrophobicContact CG1-CB 3.71Å; V91-F95 HydrophobicContact CG1-CD2 4.14Å; V91-F95 HydrophobicContact CG1-CG 4.07Å; V91-F96 HydrophobicContact CB-CE2 3.8Å; V91-F96 HydrophobicContact CB-CZ 3.99Å; V91-F96 HydrophobicContact CG1-CD2 4.45Å; V91-F96 HydrophobicContact CG1-CE2 3.84Å; V91-F96 HydrophobicContact CG1-CZ 4.12Å
92	E	88.4	Confident	89	Confident	131 Å²	131	64.7 Å²	64.7	61%	0.612	33%	0.334	S	S	*	.			trans	-59.5	146.8	174.3	-60.6	-62.3	135.4	0	0	111.2	D94 F95	E92-D94 VanDerWaalsContact C-N 3.27Å; E92-D94 PolarHBondContact O-N 3.18Å; E92-F95 HydrophobicContact CB-CD2 4.04Å; E92-F95 HydrophobicContact CB-CE2 4.46Å; E92-F95 PolarHBondContact O-N 3.07Å
93	S	90.4	Very high	89.3	Confident	13 Å²	13	63.1 Å²	63.1	9%	0.091	32%	0.323	C	S	.	.	H	α-helix	trans	-55.3	-43	180	55	0	0	0	0	111.6	F95 F96 C97 Y119 Q123	S93-F95 PolarHBondContact O-N 2.85Å; S93-F95 VanDerWaalsContact O-N 3.11Å; S93-F96 WeakPolarHBondContact O-CA 3.37Å; S93-F96 WeakPolarHBondContact O-CB 3.46Å; S93-F96 PolarHBondContact O-N 3.33Å; S93-C97 PolarHBondContact O-N 2.99Å; S93-Y119 WeakPolarHBondContact O-CD2 3.34Å; S93-Q123 PolarHBondContact OG-OE1 3.19Å
94	D	90.2	Very high	89.7	Confident	88 Å²	88	58.6 Å²	58.6	47%	0.471	30%	0.299	S	S	.	.	H	α-helix	trans	-56.5	-32.1	-175.8	-69.5	-21.9	0	0	0	114.2	E92 F96 C97 Q98	E92-D94 VanDerWaalsContact C-N 3.27Å; E92-D94 PolarHBondContact O-N 3.18Å; D94-F96 VanDerWaalsContact C-N 3.3Å; D94-F96 PolarHBondContact O-N 3.37Å; D94-C97 WeakPolarHBondContact O-CB 3.44Å; D94-C97 PolarHBondContact O-N 3.43Å; D94-Q98 WeakPolarHBondContact O-CG 3.46Å; D94-Q98 PolarHBondContact O-N 2.96Å
95	F	91	Very high	90	Very high	75 Å²	75	57 Å²	57	33%	0.329	29%	0.291	S	S	.	.	H	α-helix	trans	-62.1	-39.1	174.1	-80.2	-88.8	0	0	0	111.9	Y80 V91 E92 S93 C97 L99	Y80-F95 AromaticContact CD2-CD1 3.82Å; Y80-F95 HydrophobicContact CD2-CD1 3.82Å; Y80-F95 AromaticContact CE2-CD1 3.65Å; Y80-F95 HydrophobicContact CE2-CD1 3.65Å; Y80-F95 HydrophobicContact CE2-CE1 4.23Å; V91-F95 HydrophobicContact CG1-CB 3.71Å; V91-F95 HydrophobicContact CG1-CD2 4.14Å; V91-F95 HydrophobicContact CG1-CG 4.07Å; E92-F95 HydrophobicContact CB-CD2 4.04Å; E92-F95 HydrophobicContact CB-CE2 4.46Å; E92-F95 PolarHBondContact O-N 3.07Å; S93-F95 PolarHBondContact O-N 2.85Å; S93-F95 VanDerWaalsContact O-N 3.11Å; F95-C97 VanDerWaalsContact C-N 3.35Å; F95-L99 WeakPolarHBondContact O-CB 3.27Å; F95-L99 PolarHBondContact O-N 3.29Å
96	F	94.1	Very high	90.2	Very high	20 Å²	20	52.5 Å²	52.5	9%	0.088	27%	0.268	C	S	.	.	H	α-helix	trans	-69.6	-34.9	176.2	-64	-73	0	0	0	111.7	I84 V91 S93 D94 G100 R118 L122	I84-F96 HydrophobicContact CD1-CD1 4.26Å; I84-F96 HydrophobicContact CD1-CE1 3.88Å; I84-F96 HydrophobicContact CG1-CE1 4.33Å; I84-F96 HydrophobicContact CG2-CE1 4.23Å; I84-F96 HydrophobicContact CG2-CZ 4.34Å; V91-F96 HydrophobicContact CB-CE2 3.8Å; V91-F96 HydrophobicContact CB-CZ 3.99Å; V91-F96 HydrophobicContact CG1-CD2 4.45Å; V91-F96 HydrophobicContact CG1-CE2 3.84Å; V91-F96 HydrophobicContact CG1-CZ 4.12Å; S93-F96 WeakPolarHBondContact O-CA 3.37Å; S93-F96 WeakPolarHBondContact O-CB 3.46Å; S93-F96 PolarHBondContact O-N 3.33Å; D94-F96 VanDerWaalsContact C-N 3.3Å; D94-F96 PolarHBondContact O-N 3.37Å; F96-G100 PolarHBondContact O-N 3.35Å; F96-R118 HydrophobicContact CB-CB 4.37Å; F96-R118 HydrophobicContact CD1-CB 3.84Å; F96-R118 HydrophobicContact CD1-CG 3.53Å; F96-R118 HydrophobicContact CD2-CG 3.9Å; F96-R118 HydrophobicContact CE1-CB 4.28Å; F96-R118 HydrophobicContact CE1-CG 3.53Å; F96-R118 HydrophobicContact CE2-CG 3.88Å; F96-R118 HydrophobicContact CG-CB 4.03Å; F96-R118 HydrophobicContact CG-CG 3.72Å; F96-R118 HydrophobicContact CZ-CG 3.7Å; F96-L122 HydrophobicContact CD2-CD1 3.63Å; F96-L122 HydrophobicContact CE2-CD1 3.51Å
97	C	94.9	Very high	90.5	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.027	26%	0.257	C	S	.	.	H	α-helix	trans	-62.9	-50.2	174.2	-165.7	0	0	0	0	111.3	S93 D94 F95 G100 H101 Y119	S93-C97 PolarHBondContact O-N 2.99Å; D94-C97 WeakPolarHBondContact O-CB 3.44Å; D94-C97 PolarHBondContact O-N 3.43Å; F95-C97 VanDerWaalsContact C-N 3.35Å; C97-G100 PolarHBondContact O-N 3.17Å; C97-H101 PolarHBondContact O-CD2 3.45Å; C97-H101 PolarHBondContact O-N 2.9Å; C97-H101 PolarHBondContact SG-NE2 3.13Å; C97-Y119 HydrophobicContact CB-CD1 4.29Å; C97-Y119 HydrophobicContact CB-CD2 3.64Å; C97-Y119 HydrophobicContact CB-CE1 4.35Å; C97-Y119 HydrophobicContact CB-CE2 3.71Å; C97-Y119 HydrophobicContact CB-CG 3.9Å
98	Q	94.4	Very high	91.1	Very high	69 Å²	69	50.6 Å²	50.6	32%	0.322	26%	0.257	S	S	.	.	H	α-helix	trans	-61.2	-44.2	176.9	-73	177.7	-17.6	0	0	111.9	Y80 D94 G100 H101 F102	Y80-Q98 HydrophobicContact CE2-CB 3.98Å; Y80-Q98 PolarHBondContact OH-OE1 3.39Å; Y80-Q98 VanDerWaalsContact OH-OE1 3.11Å; D94-Q98 WeakPolarHBondContact O-CG 3.46Å; D94-Q98 PolarHBondContact O-N 2.96Å; Q98-G100 VanDerWaalsContact C-N 3.27Å; Q98-G100 PolarHBondContact O-N 3.44Å; Q98-H101 WeakPolarHBondContact O-CB 3.33Å; Q98-H101 PolarHBondContact O-N 3.1Å; Q98-H101 VanDerWaalsContact O-N 3.13Å; Q98-F102 HydrophobicContact CB-CE2 4.34Å; Q98-F102 HydrophobicContact CB-CZ 4.3Å; Q98-F102 VanDerWaalsContact O-CG 3.27Å; Q98-F102 WeakPolarHBondContact O-CG 3.44Å; Q98-F102 PolarHBondContact O-N 3.32Å
99	L	95.3	Very high	92	Very high	15 Å²	15	43.4 Å²	43.4	8%	0.079	22%	0.222	C	C	.	.	H	α-helix	trans	-58.8	-40.6	174.8	-175.1	65.3	0	0	0	111.6	V77 I84 F95 F102 N103 A115	V77-L99 HydrophobicContact CB-CD1 4.38Å; V77-L99 HydrophobicContact CG1-CD1 4.07Å; V77-L99 HydrophobicContact CG2-CD1 4.2Å; I84-L99 HydrophobicContact CD1-CD2 3.78Å; F95-L99 WeakPolarHBondContact O-CB 3.27Å; F95-L99 PolarHBondContact O-N 3.29Å; L99-F102 PolarHBondContact O-N 3.35Å; L99-N103 WeakPolarHBondContact O-CB 3.09Å; L99-N103 PolarHBondContact O-N 3.15Å; L99-N103 PolarHBondContact O-ND2 2.93Å; L99-A115 HydrophobicContact CB-CB 4.22Å; L99-A115 HydrophobicContact CD2-CB 4.15Å; L99-A115 HydrophobicContact CG-CB 4.1Å
100	G	96.6	Very high	93.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.1	-45.2	174	0	0	0	0	0	112.4	F96 C97 Q98 L104	F96-G100 PolarHBondContact O-N 3.35Å; C97-G100 PolarHBondContact O-N 3.17Å; Q98-G100 VanDerWaalsContact C-N 3.27Å; Q98-G100 PolarHBondContact O-N 3.44Å; G100-L104 VanDerWaalsContact O-CB 3.31Å; G100-L104 WeakPolarHBondContact O-CB 3.45Å; G100-L104 PolarHBondContact O-N 3.25Å
101	H	96.2	Very high	93.9	Very high	10 Å²	10	39.6 Å²	39.6	5%	0.046	20%	0.198	C	C	.	.	H	α-helix	trans	-59.7	-46.9	174.9	-64.9	-49.7	0	0	0	112.3	S54 C97 Q98 L104 L105 Y116	S54-H101 WeakPolarHBondContact CB-ND1 3.38Å; S54-H101 PolarHBondContact N-ND1 3.23Å; C97-H101 PolarHBondContact O-CD2 3.45Å; C97-H101 PolarHBondContact O-N 2.9Å; C97-H101 PolarHBondContact SG-NE2 3.13Å; Q98-H101 WeakPolarHBondContact O-CB 3.33Å; Q98-H101 PolarHBondContact O-N 3.1Å; Q98-H101 VanDerWaalsContact O-N 3.13Å; H101-L104 PolarHBondContact O-N 3.06Å; H101-L105 VanDerWaalsContact O-CG 3.3Å; H101-L105 WeakPolarHBondContact O-CG 3.2Å; H101-L105 PolarHBondContact O-N 2.87Å; H101-Y116 WeakPolarHBondContact CA-OH 3.36Å; H101-Y116 PolarHBondContact N-OH 3.11Å; H101-Y116 AromaticContact ND1-CZ 3.92Å; H101-Y116 PolarHBondContact ND1-OH 2.89Å
102	F	95.4	Very high	94.5	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-64.9	-44.6	-178.5	-60.1	-19	0	0	0	112	L49 L52 L73 A76 V77 Y80 Q98 L99 L104 L105 L106	L49-F102 HydrophobicContact CB-CZ 4.06Å; L49-F102 HydrophobicContact CD2-CE1 4.22Å; L49-F102 HydrophobicContact CD2-CE2 4.36Å; L49-F102 HydrophobicContact CD2-CZ 3.99Å; L49-F102 HydrophobicContact CG-CZ 4.47Å; L52-F102 HydrophobicContact CB-CE1 4.13Å; L73-F102 HydrophobicContact CD2-CB 3.86Å; L73-F102 HydrophobicContact CD2-CD1 3.33Å; L73-F102 HydrophobicContact CD2-CE1 4.02Å; L73-F102 HydrophobicContact CD2-CG 3.68Å; A76-F102 HydrophobicContact CB-CD2 4.07Å; A76-F102 HydrophobicContact CB-CE2 4.05Å; V77-F102 HydrophobicContact CG2-CB 3.76Å; Y80-F102 HydrophobicContact CE1-CE2 4.46Å; Y80-F102 HydrophobicContact CE2-CE2 4.09Å; Q98-F102 HydrophobicContact CB-CE2 4.34Å; Q98-F102 HydrophobicContact CB-CZ 4.3Å; Q98-F102 VanDerWaalsContact O-CG 3.27Å; Q98-F102 WeakPolarHBondContact O-CG 3.44Å; Q98-F102 PolarHBondContact O-N 3.32Å; L99-F102 PolarHBondContact O-N 3.35Å; F102-L104 VanDerWaalsContact C-N 3.32Å; F102-L104 PolarHBondContact O-N 2.97Å; F102-L105 PolarHBondContact O-N 2.95Å; F102-L106 WeakPolarHBondContact O-CB 3.38Å; F102-L106 VanDerWaalsContact O-CG 3.3Å; F102-L106 WeakPolarHBondContact O-CG 3.37Å; F102-L106 PolarHBondContact O-N 3.08Å
103	N	96.4	Very high	94.9	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-63.5	-38.3	175.8	-76.7	-65.6	0	0	0	111.8	L99 L106 E107 D108 K111 A112	L99-N103 WeakPolarHBondContact O-CB 3.09Å; L99-N103 PolarHBondContact O-N 3.15Å; L99-N103 PolarHBondContact O-ND2 2.93Å; N103-L106 CarbonylContact O-C 3.47Å; N103-L106 PolarHBondContact O-N 3.25Å; N103-E107 PolarHBondContact O-N 2.92Å; N103-E107 VanDerWaalsContact O-N 3.08Å; N103-D108 HydrophobicContact CB-CB 4.42Å; N103-D108 PolarHBondContact O-N 3.46Å; N103-K111 HydrophobicContact CB-CB 4.09Å; N103-A112 HydrophobicContact CB-CB 3.87Å
104	L	96.1	Very high	95.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-44.3	174.5	177.5	63.9	0	0	0	111.8	F57 G100 H101 F102 L106 E107 Y109 A112 Y116 L138 V139	F57-L104 HydrophobicContact CD2-CD1 3.87Å; F57-L104 HydrophobicContact CD2-CG 3.77Å; F57-L104 WeakPolarHBondContact CD2-O 3.47Å; F57-L104 HydrophobicContact CE2-CD1 3.94Å; F57-L104 HydrophobicContact CE2-CG 4.32Å; F57-L104 WeakPolarHBondContact CE2-O 3.42Å; F57-L104 HydrophobicContact CG-CG 4.35Å; G100-L104 VanDerWaalsContact O-CB 3.31Å; G100-L104 WeakPolarHBondContact O-CB 3.45Å; G100-L104 PolarHBondContact O-N 3.25Å; H101-L104 PolarHBondContact O-N 3.06Å; F102-L104 VanDerWaalsContact C-N 3.32Å; F102-L104 PolarHBondContact O-N 2.97Å; L104-L106 PolarHBondContact O-N 3.15Å; L104-E107 WeakPolarHBondContact O-CA 3.4Å; L104-E107 PolarHBondContact O-N 3.44Å; L104-Y109 HydrophobicContact CD1-CD1 4.09Å; L104-Y109 HydrophobicContact CD1-CE1 3.9Å; L104-A112 HydrophobicContact CB-CB 4.13Å; L104-Y116 HydrophobicContact CD2-CE2 4.49Å; L104-L138 HydrophobicContact CD1-CB 4.36Å; L104-L138 HydrophobicContact CD2-CB 4.4Å; L104-L138 HydrophobicContact CD2-CD1 4.02Å; L104-V139 HydrophobicContact CD1-CG2 3.92Å
105	L	93.5	Very high	95.5	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-66.4	-27	176.6	-68.4	178.9	0	0	0	113	L52 L56 F57 V60 L73 H101 F102 E107	L52-L105 HydrophobicContact CB-CD1 4.18Å; L56-L105 HydrophobicContact CB-CD2 3.91Å; F57-L105 HydrophobicContact CB-CD2 4.12Å; V60-L105 HydrophobicContact CG2-CD2 3.99Å; L73-L105 HydrophobicContact CD1-CB 3.69Å; L73-L105 HydrophobicContact CD1-CD1 4.1Å; L73-L105 HydrophobicContact CD2-CD1 4.31Å; H101-L105 VanDerWaalsContact O-CG 3.3Å; H101-L105 WeakPolarHBondContact O-CG 3.2Å; H101-L105 PolarHBondContact O-N 2.87Å; F102-L105 PolarHBondContact O-N 2.95Å; L105-E107 VanDerWaalsContact C-N 3.25Å
106	L	93.3	Very high	95.8	Very high	51 Å²	51	29.2 Å²	29.2	27%	0.267	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-2.8	170.3	-68.8	173	0	0	0	113.2	K70 L73 V77 F102 N103 L104 D108	K70-L106 HydrophobicContact CB-CD2 4.31Å; K70-L106 HydrophobicContact CG-CD2 4.37Å; L73-L106 HydrophobicContact CB-CD1 4.13Å; L73-L106 HydrophobicContact CB-CD2 3.87Å; L73-L106 HydrophobicContact CB-CG 3.96Å; L73-L106 HydrophobicContact CD1-CD2 4.44Å; V77-L106 HydrophobicContact CG2-CD1 3.93Å; F102-L106 WeakPolarHBondContact O-CB 3.38Å; F102-L106 VanDerWaalsContact O-CG 3.3Å; F102-L106 WeakPolarHBondContact O-CG 3.37Å; F102-L106 PolarHBondContact O-N 3.08Å; N103-L106 CarbonylContact O-C 3.47Å; N103-L106 PolarHBondContact O-N 3.25Å; L104-L106 PolarHBondContact O-N 3.15Å; L106-D108 PolarHBondContact O-N 2.86Å
107	E	93.9	Very high	95.9	Very high	71 Å²	71	33.3 Å²	33.3	33%	0.332	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	21.5	-177.1	-55.2	167.7	-132.9	0	0	113.2	F57 R61 K70 N103 L104 L105 Y109	F57-E107 HydrophobicContact CE2-CG 4.15Å; R61-E107 IonicContact CZ-OE1 2.82Å; R61-E107 IonicContact NE-OE1 3.81Å; R61-E107 PolarHBondContact NE-OE1 3.35Å; R61-E107 IonicContact NH2-OE1 2.75Å; R61-E107 PolarHBondContact NH2-OE1 2.93Å; R61-E107 IonicContact NH2-OE2 2.89Å; R61-E107 PolarHBondContact NH2-OE2 2.97Å; K70-E107 IonicContact NZ-OE1 3.63Å; N103-E107 PolarHBondContact O-N 2.92Å; N103-E107 VanDerWaalsContact O-N 3.08Å; L104-E107 WeakPolarHBondContact O-CA 3.4Å; L104-E107 PolarHBondContact O-N 3.44Å; L105-E107 VanDerWaalsContact C-N 3.25Å; E107-Y109 HydrophobicContact CB-CE2 4.24Å; E107-Y109 VanDerWaalsContact O-CD2 3.25Å; E107-Y109 WeakPolarHBondContact O-CD2 3.34Å; E107-Y109 WeakPolarHBondContact O-CE2 3.45Å; E107-Y109 PolarHBondContact O-N 3.13Å
108	D	95.9	Very high	95.8	Very high	52 Å²	52	38.8 Å²	38.8	28%	0.278	19%	0.194	S	C	.	.			trans	-87.9	76.8	170.6	-168.2	-26.8	0	0	0	109.9	N103 L106 P110 K111 A112	N103-D108 HydrophobicContact CB-CB 4.42Å; N103-D108 PolarHBondContact O-N 3.46Å; L106-D108 PolarHBondContact O-N 2.86Å; D108-P110 WeakPolarHBondContact OD1-CD 3.44Å; D108-K111 HydrophobicContact CB-CB 4.47Å; D108-K111 PolarHBondContact O-N 2.97Å; D108-K111 WeakPolarHBondContact OD1-CB 3.46Å; D108-K111 WeakPolarHBondContact OD1-CG 3.48Å; D108-K111 PolarHBondContact OD1-N 2.86Å; D108-K111 WeakPolarHBondContact OD2-CD 3.46Å; D108-K111 WeakPolarHBondContact OD2-CE 3.28Å; D108-K111 WeakPolarHBondContact OD2-CG 3.46Å; D108-A112 VanDerWaalsContact O-CB 3.32Å; D108-A112 WeakPolarHBondContact O-CB 3.31Å; D108-A112 PolarHBondContact O-N 3.32Å
109	Y	96.9	Very high	95.8	Very high	34 Å²	34	35.9 Å²	35.9	13%	0.133	18%	0.18	C	C	.	.	H	α-helix	trans	-59.7	-39.6	-177.3	-56.7	-79.8	0	0	0	114.7	F57 L104 E107 A112 L113 V139 H142	F57-Y109 HydrophobicContact CE2-CE1 4.34Å; F57-Y109 HydrophobicContact CZ-CE1 4.31Å; F57-Y109 WeakPolarHBondContact CZ-OH 3.25Å; L104-Y109 HydrophobicContact CD1-CD1 4.09Å; L104-Y109 HydrophobicContact CD1-CE1 3.9Å; E107-Y109 HydrophobicContact CB-CE2 4.24Å; E107-Y109 VanDerWaalsContact O-CD2 3.25Å; E107-Y109 WeakPolarHBondContact O-CD2 3.34Å; E107-Y109 WeakPolarHBondContact O-CE2 3.45Å; E107-Y109 PolarHBondContact O-N 3.13Å; Y109-A112 PolarHBondContact O-N 3.2Å; Y109-L113 WeakPolarHBondContact O-CB 3.49Å; Y109-L113 PolarHBondContact O-N 3.23Å; Y109-V139 HydrophobicContact CD1-CG2 4.46Å; Y109-H142 HydrophobicContact CD1-CB 3.88Å; Y109-H142 AromaticContact CD1-CG 3.77Å; Y109-H142 AromaticContact CD2-CD2 3.61Å; Y109-H142 AromaticContact CD2-CE1 3.41Å; Y109-H142 VanDerWaalsContact CD2-CE1 3.41Å; Y109-H142 WeakPolarHBondContact CD2-CE1 3.29Å; Y109-H142 AromaticContact CD2-CG 3.75Å; Y109-H142 AromaticContact CD2-ND1 3.63Å; Y109-H142 AromaticContact CD2-NE2 3.4Å; Y109-H142 WeakPolarHBondContact CD2-NE2 3.5Å; Y109-H142 HydrophobicContact CE1-CB 3.86Å; Y109-H142 AromaticContact CE1-CD2 3.98Å; Y109-H142 AromaticContact CE1-CG 3.84Å; Y109-H142 AromaticContact CE2-CD2 3.31Å; Y109-H142 WeakPolarHBondContact CE2-CD2 3.4Å; Y109-H142 AromaticContact CE2-CE1 3.89Å; Y109-H142 AromaticContact CE2-CG 3.83Å; Y109-H142 AromaticContact CE2-NE2 3.37Å; Y109-H142 WeakPolarHBondContact CE2-NE2 3.45Å; Y109-H142 HydrophobicContact CG-CB 4.3Å; Y109-H142 AromaticContact CG-CE1 3.81Å; Y109-H142 AromaticContact CG-CG 3.71Å; Y109-H142 AromaticContact CG-ND1 3.55Å; Y109-H142 AromaticContact CZ-CD2 3.5Å; Y109-H142 AromaticContact CZ-CG 3.86Å
110	P	97.3	Very high	95.8	Very high	76 Å²	76	40.4 Å²	40.4	49%	0.494	20%	0.197	S	C	.	.	H	α-helix	trans	-60.3	-45.9	176.7	-24.4	33.9	0	0	0	113.1	D108 S114	D108-P110 WeakPolarHBondContact OD1-CD 3.44Å; P110-S114 PolarHBondContact O-N 3.24Å; P110-S114 VanDerWaalsContact O-N 3.13Å; P110-S114 PolarHBondContact O-OG 2.92Å
111	K	96.9	Very high	95.6	Very high	89 Å²	89	44.1 Å²	44.1	39%	0.387	22%	0.222	S	C	.	.	H	α-helix	trans	-69.9	-39.4	177.1	-68.9	-168.6	-171.8	-171.8	0	112.1	E81 N103 D108 L113 S114 A115	E81-K111 IonicContact OE1-NZ 3.39Å; E81-K111 PolarHBondContact OE1-NZ 3.08Å; N103-K111 HydrophobicContact CB-CB 4.09Å; D108-K111 HydrophobicContact CB-CB 4.47Å; D108-K111 PolarHBondContact O-N 2.97Å; D108-K111 WeakPolarHBondContact OD1-CB 3.46Å; D108-K111 WeakPolarHBondContact OD1-CG 3.48Å; D108-K111 PolarHBondContact OD1-N 2.86Å; D108-K111 WeakPolarHBondContact OD2-CD 3.46Å; D108-K111 WeakPolarHBondContact OD2-CE 3.28Å; D108-K111 WeakPolarHBondContact OD2-CG 3.46Å; K111-L113 VanDerWaalsContact C-N 3.33Å; K111-L113 PolarHBondContact O-N 3.39Å; K111-S114 PolarHBondContact O-N 2.95Å; K111-A115 WeakPolarHBondContact O-CB 3.3Å; K111-A115 PolarHBondContact O-N 3.38Å
112	A	97.6	Very high	95.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.9	-46.7	175.8	0	0	0	0	0	111.5	N103 L104 D108 Y109 S114 A115 Y116 V139	N103-A112 HydrophobicContact CB-CB 3.87Å; L104-A112 HydrophobicContact CB-CB 4.13Å; D108-A112 VanDerWaalsContact O-CB 3.32Å; D108-A112 WeakPolarHBondContact O-CB 3.31Å; D108-A112 PolarHBondContact O-N 3.32Å; Y109-A112 PolarHBondContact O-N 3.2Å; A112-S114 PolarHBondContact O-N 3.27Å; A112-A115 PolarHBondContact O-N 2.85Å; A112-Y116 WeakPolarHBondContact O-CB 3.49Å; A112-Y116 WeakPolarHBondContact O-CD2 3.41Å; A112-Y116 PolarHBondContact O-N 2.73Å; A112-V139 HydrophobicContact CB-CG2 4.12Å
113	L	97.4	Very high	95.2	Very high	32 Å²	32	49.7 Å²	49.7	17%	0.168	25%	0.251	C	S	.	.	H	α-helix	trans	-61	-45.8	177.2	-173.7	55.7	0	0	0	111.7	Y109 K111 A115 Y116 Q117 L136 V139 Y140 Y143	Y109-L113 WeakPolarHBondContact O-CB 3.49Å; Y109-L113 PolarHBondContact O-N 3.23Å; K111-L113 VanDerWaalsContact C-N 3.33Å; K111-L113 PolarHBondContact O-N 3.39Å; L113-A115 VanDerWaalsContact C-N 3.34Å; L113-A115 PolarHBondContact O-N 2.94Å; L113-Y116 PolarHBondContact O-N 3.45Å; L113-Q117 HydrophobicContact CD1-CG 4.26Å; L113-Q117 HydrophobicContact CG-CG 4.43Å; L113-Q117 WeakPolarHBondContact O-CB 3.31Å; L113-Q117 VanDerWaalsContact O-CG 3.31Å; L113-Q117 WeakPolarHBondContact O-CG 3.3Å; L113-Q117 PolarHBondContact O-N 3.28Å; L113-L136 HydrophobicContact CD1-CD1 4.1Å; L113-V139 HydrophobicContact CB-CG1 3.79Å; L113-V139 HydrophobicContact CD1-CG1 3.91Å; L113-V139 HydrophobicContact CD2-CG1 4.47Å; L113-V139 HydrophobicContact CG-CG1 4.26Å; L113-Y140 HydrophobicContact CD1-CE1 4.14Å; L113-Y143 HydrophobicContact CD2-CE2 4.12Å
114	S	96.5	Very high	94.9	Very high	73 Å²	73	54.7 Å²	54.7	51%	0.51	29%	0.286	S	S	.	.	H	α-helix	trans	-60.3	-43.9	-179.6	-57.1	0	0	0	0	111.7	P110 K111 A112 R118	P110-S114 PolarHBondContact O-N 3.24Å; P110-S114 VanDerWaalsContact O-N 3.13Å; P110-S114 PolarHBondContact O-OG 2.92Å; K111-S114 PolarHBondContact O-N 2.95Å; A112-S114 PolarHBondContact O-N 3.27Å; S114-R118 PolarHBondContact O-N 3.35Å; S114-R118 VanDerWaalsContact O-N 3.13Å
115	A	96.2	Very high	94.7	Very high	6 Å²	6	57 Å²	57	5%	0.05	30%	0.298	C	S	.	.	H	α-helix	trans	-66.4	-43.7	176.8	0	0	0	0	0	112	L99 K111 A112 L113 Q117 R118 Y119	L99-A115 HydrophobicContact CB-CB 4.22Å; L99-A115 HydrophobicContact CD2-CB 4.15Å; L99-A115 HydrophobicContact CG-CB 4.1Å; K111-A115 WeakPolarHBondContact O-CB 3.3Å; K111-A115 PolarHBondContact O-N 3.38Å; A112-A115 PolarHBondContact O-N 2.85Å; L113-A115 VanDerWaalsContact C-N 3.34Å; L113-A115 PolarHBondContact O-N 2.94Å; A115-Q117 PolarHBondContact O-N 2.83Å; A115-R118 WeakPolarHBondContact O-CB 3.25Å; A115-R118 PolarHBondContact O-N 3.46Å; A115-Y119 PolarHBondContact O-N 2.73Å
116	Y	97.1	Very high	94.6	Very high	1 Å²	1	59 Å²	59	0%	0.004	31%	0.306	C	S	.	.	H	α-helix	trans	-64.2	-38.6	176.5	-74.8	-31.1	0	0	0	113.5	H101 L104 A112 L113 R118 Y119 Y120 F132 L136 V139	H101-Y116 WeakPolarHBondContact CA-OH 3.36Å; H101-Y116 PolarHBondContact N-OH 3.11Å; H101-Y116 AromaticContact ND1-CZ 3.92Å; H101-Y116 PolarHBondContact ND1-OH 2.89Å; L104-Y116 HydrophobicContact CD2-CE2 4.49Å; A112-Y116 WeakPolarHBondContact O-CB 3.49Å; A112-Y116 WeakPolarHBondContact O-CD2 3.41Å; A112-Y116 PolarHBondContact O-N 2.73Å; L113-Y116 PolarHBondContact O-N 3.45Å; Y116-R118 VanDerWaalsContact C-N 3.3Å; Y116-R118 PolarHBondContact O-N 3.31Å; Y116-Y119 PolarHBondContact O-N 3.3Å; Y116-Y120 VanDerWaalsContact O-CB 3.31Å; Y116-Y120 WeakPolarHBondContact O-CB 3.21Å; Y116-Y120 PolarHBondContact O-N 3.5Å; Y116-F132 AromaticContact CD1-CD2 3.48Å; Y116-F132 HydrophobicContact CD1-CD2 3.48Å; Y116-F132 VanDerWaalsContact CD1-CD2 3.48Å; Y116-F132 AromaticContact CD1-CE2 3.46Å; Y116-F132 HydrophobicContact CD1-CE2 3.46Å; Y116-F132 VanDerWaalsContact CD1-CE2 3.46Å; Y116-F132 AromaticContact CE1-CD2 3.84Å; Y116-F132 HydrophobicContact CE1-CD2 3.84Å; Y116-F132 HydrophobicContact CE1-CE2 4.27Å; Y116-F132 HydrophobicContact CG-CD2 4.17Å; Y116-F132 AromaticContact CG-CE2 3.76Å; Y116-F132 HydrophobicContact CG-CE2 3.76Å; Y116-L136 HydrophobicContact CD2-CB 4.45Å; Y116-L136 HydrophobicContact CD2-CD1 4.34Å; Y116-V139 HydrophobicContact CD2-CG2 4.19Å; Y116-V139 HydrophobicContact CE2-CG2 4.05Å
117	Q	95.4	Very high	94.4	Very high	106 Å²	106	62.7 Å²	62.7	50%	0.495	32%	0.317	S	S	.	.	H	α-helix	trans	-62.8	-39.6	173.8	-75.7	176.9	-20.2	0	0	111.5	L113 A115 Y120 S121	L113-Q117 HydrophobicContact CD1-CG 4.26Å; L113-Q117 HydrophobicContact CG-CG 4.43Å; L113-Q117 WeakPolarHBondContact O-CB 3.31Å; L113-Q117 VanDerWaalsContact O-CG 3.31Å; L113-Q117 WeakPolarHBondContact O-CG 3.3Å; L113-Q117 PolarHBondContact O-N 3.28Å; A115-Q117 PolarHBondContact O-N 2.83Å; Q117-Y120 PolarHBondContact O-N 2.98Å; Q117-S121 PolarHBondContact O-N 2.85Å
118	R	94.1	Very high	94.4	Very high	119 Å²	119	64.9 Å²	64.9	45%	0.449	33%	0.325	S	S	.	.	H	α-helix	trans	-64.6	-45.3	175.9	-168.3	59.3	171.1	174.7	0.4	111.5	F96 S114 A115 Y116 Y120 S121 L122	F96-R118 HydrophobicContact CB-CB 4.37Å; F96-R118 HydrophobicContact CD1-CB 3.84Å; F96-R118 HydrophobicContact CD1-CG 3.53Å; F96-R118 HydrophobicContact CD2-CG 3.9Å; F96-R118 HydrophobicContact CE1-CB 4.28Å; F96-R118 HydrophobicContact CE1-CG 3.53Å; F96-R118 HydrophobicContact CE2-CG 3.88Å; F96-R118 HydrophobicContact CG-CB 4.03Å; F96-R118 HydrophobicContact CG-CG 3.72Å; F96-R118 HydrophobicContact CZ-CG 3.7Å; S114-R118 PolarHBondContact O-N 3.35Å; S114-R118 VanDerWaalsContact O-N 3.13Å; A115-R118 WeakPolarHBondContact O-CB 3.25Å; A115-R118 PolarHBondContact O-N 3.46Å; Y116-R118 VanDerWaalsContact C-N 3.3Å; Y116-R118 PolarHBondContact O-N 3.31Å; R118-Y120 PolarHBondContact O-N 2.96Å; R118-S121 PolarHBondContact O-N 3.09Å; R118-S121 PolarHBondContact O-OG 2.88Å; R118-L122 HydrophobicContact CG-CD1 4.11Å; R118-L122 WeakPolarHBondContact O-CG 3.43Å; R118-L122 PolarHBondContact O-N 3.28Å
119	Y	94.8	Very high	94.3	Very high	7 Å²	7	64.6 Å²	64.6	3%	0.027	32%	0.323	C	S	.	.	H	α-helix	trans	-56.4	-50.1	173.2	179.1	-110.7	0	0	0	111.9	S93 C97 A115 Y116 S121 L122 Q123 F132	S93-Y119 WeakPolarHBondContact O-CD2 3.34Å; C97-Y119 HydrophobicContact CB-CD1 4.29Å; C97-Y119 HydrophobicContact CB-CD2 3.64Å; C97-Y119 HydrophobicContact CB-CE1 4.35Å; C97-Y119 HydrophobicContact CB-CE2 3.71Å; C97-Y119 HydrophobicContact CB-CG 3.9Å; A115-Y119 PolarHBondContact O-N 2.73Å; Y116-Y119 PolarHBondContact O-N 3.3Å; Y119-S121 PolarHBondContact O-N 2.94Å; Y119-L122 PolarHBondContact O-N 2.59Å; Y119-L122 VanDerWaalsContact O-N 3.08Å; Y119-Q123 HydrophobicContact CD2-CB 4.3Å; Y119-Q123 HydrophobicContact CE1-CB 4.4Å; Y119-Q123 HydrophobicContact CE2-CB 3.99Å; Y119-Q123 HydrophobicContact CE2-CG 4.18Å; Y119-Q123 WeakPolarHBondContact O-CB 3.4Å; Y119-Q123 PolarHBondContact O-N 2.88Å; Y119-F132 HydrophobicContact CD1-CD1 4.07Å; Y119-F132 AromaticContact CD1-CD2 3.47Å; Y119-F132 HydrophobicContact CD1-CD2 3.47Å; Y119-F132 VanDerWaalsContact CD1-CD2 3.47Å; Y119-F132 HydrophobicContact CD1-CE1 4.08Å; Y119-F132 AromaticContact CD1-CE2 3.47Å; Y119-F132 HydrophobicContact CD1-CE2 3.47Å; Y119-F132 VanDerWaalsContact CD1-CE2 3.47Å; Y119-F132 AromaticContact CD1-CG 3.78Å; Y119-F132 HydrophobicContact CD1-CG 3.78Å; Y119-F132 AromaticContact CD1-CZ 3.79Å; Y119-F132 HydrophobicContact CD1-CZ 3.79Å; Y119-F132 HydrophobicContact CE1-CB 4.16Å; Y119-F132 AromaticContact CE1-CD1 3.89Å; Y119-F132 HydrophobicContact CE1-CD1 3.89Å; Y119-F132 AromaticContact CE1-CD2 3.85Å; Y119-F132 HydrophobicContact CE1-CD2 3.85Å; Y119-F132 HydrophobicContact CE1-CE1 4.27Å; Y119-F132 HydrophobicContact CE1-CE2 4.23Å; Y119-F132 AromaticContact CE1-CG 3.67Å; Y119-F132 HydrophobicContact CE1-CG 3.67Å; Y119-F132 HydrophobicContact CE1-CZ 4.43Å; Y119-F132 HydrophobicContact CG-CD2 4.44Å; Y119-F132 HydrophobicContact CG-CE2 4.36Å
120	Y	93.3	Very high	94.2	Very high	111 Å²	111	63.5 Å²	63.5	44%	0.435	32%	0.321	S	S	.	.	H	α-helix	trans	-57.2	-36.7	178.7	-170.8	-84.6	0	0	0	112.6	Y116 Q117 R118 Y126 F132	Y116-Y120 VanDerWaalsContact O-CB 3.31Å; Y116-Y120 WeakPolarHBondContact O-CB 3.21Å; Y116-Y120 PolarHBondContact O-N 3.5Å; Q117-Y120 PolarHBondContact O-N 2.98Å; R118-Y120 PolarHBondContact O-N 2.96Å; Y120-Y126 AromaticContact CD2-CD1 3.96Å; Y120-Y126 HydrophobicContact CD2-CD1 3.96Å; Y120-Y126 AromaticContact CD2-CD2 3.83Å; Y120-Y126 HydrophobicContact CD2-CD2 3.83Å; Y120-Y126 HydrophobicContact CD2-CE1 4.02Å; Y120-Y126 AromaticContact CD2-CE2 3.94Å; Y120-Y126 HydrophobicContact CD2-CE2 3.94Å; Y120-Y126 AromaticContact CD2-CG 3.9Å; Y120-Y126 HydrophobicContact CD2-CG 3.9Å; Y120-Y126 HydrophobicContact CE1-CE1 4.28Å; Y120-Y126 AromaticContact CE2-CD1 3.89Å; Y120-Y126 HydrophobicContact CE2-CD1 3.89Å; Y120-Y126 AromaticContact CE2-CD2 3.7Å; Y120-Y126 HydrophobicContact CE2-CD2 3.7Å; Y120-Y126 AromaticContact CE2-CE1 3.46Å; Y120-Y126 HydrophobicContact CE2-CE1 3.46Å; Y120-Y126 VanDerWaalsContact CE2-CE1 3.46Å; Y120-Y126 AromaticContact CE2-CE2 3.3Å; Y120-Y126 HydrophobicContact CE2-CE2 3.3Å; Y120-Y126 HydrophobicContact CE2-CG 4.03Å; Y120-Y126 AromaticContact CE2-CZ 3.16Å; Y120-Y126 HydrophobicContact CG-CD1 4.48Å; Y120-Y126 AromaticContact CZ-CE1 3.58Å; Y120-Y126 AromaticContact CZ-CZ 3.47Å; Y120-Y126 VanDerWaalsContact CZ-CZ 3.47Å; Y120-Y126 PolarHBondContact OH-OH 3.45Å; Y120-F132 HydrophobicContact CD2-CE1 4.27Å; Y120-F132 HydrophobicContact CD2-CZ 4.18Å
121	S	92.5	Very high	94.2	Very high	77 Å²	77	60.5 Å²	60.5	54%	0.538	30%	0.303	S	S	.	.	H	α-helix	trans	-74.3	-25	178.6	71.8	0	0	0	0	114.5	Q117 R118 Y119	Q117-S121 PolarHBondContact O-N 2.85Å; R118-S121 PolarHBondContact O-N 3.09Å; R118-S121 PolarHBondContact O-OG 2.88Å; Y119-S121 PolarHBondContact O-N 2.94Å
122	L	91.7	Very high	94.1	Very high	80 Å²	80	56.3 Å²	56.3	42%	0.419	29%	0.285	S	S	.	.	H	α-helix	trans	-97.4	-34.7	-175.2	-67.4	171.9	0	0	0	112.2	F96 R118 Y119	F96-L122 HydrophobicContact CD2-CD1 3.63Å; F96-L122 HydrophobicContact CE2-CD1 3.51Å; R118-L122 HydrophobicContact CG-CD1 4.11Å; R118-L122 WeakPolarHBondContact O-CG 3.43Å; R118-L122 PolarHBondContact O-N 3.28Å; Y119-L122 PolarHBondContact O-N 2.59Å; Y119-L122 VanDerWaalsContact O-N 3.08Å
123	Q	92	Very high	94.1	Very high	48 Å²	48	56.3 Å²	56.3	22%	0.224	29%	0.285	C	S	.	.			trans	-95	120.1	-174.9	-165.3	70	5	0	0	111.6	S93 Y119 D125 Y126	S93-Q123 PolarHBondContact OG-OE1 3.19Å; Y119-Q123 HydrophobicContact CD2-CB 4.3Å; Y119-Q123 HydrophobicContact CE1-CB 4.4Å; Y119-Q123 HydrophobicContact CE2-CB 3.99Å; Y119-Q123 HydrophobicContact CE2-CG 4.18Å; Y119-Q123 WeakPolarHBondContact O-CB 3.4Å; Y119-Q123 PolarHBondContact O-N 2.88Å; Q123-D125 WeakPolarHBondContact CG-OD1 3.15Å; Q123-D125 PolarHBondContact NE2-OD1 3.02Å; Q123-Y126 WeakPolarHBondContact O-CD1 3.29Å
124	S	89.9	Confident	94.1	Very high	110 Å²	110	54.9 Å²	54.9	77%	0.769	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-27.8	177.4	53.1	0	0	0	0	114
125	D	91.9	Very high	94.2	Very high	48 Å²	48	51.4 Å²	51.4	26%	0.257	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	32.4	-178.6	68.9	-25.5	0	0	0	113.3	Q123 W127 K128	Q123-D125 WeakPolarHBondContact CG-OD1 3.15Å; Q123-D125 PolarHBondContact NE2-OD1 3.02Å; D125-W127 PolarHBondContact O-N 3.21Å; D125-K128 HydrophobicContact CB-CD 4.18Å; D125-K128 PolarHBondContact O-N 3.05Å; D125-K128 IonicContact OD2-NZ 2.87Å; D125-K128 PolarHBondContact OD2-NZ 3.44Å
126	Y	91.4	Very high	94.2	Very high	47 Å²	47	51.6 Å²	51.6	18%	0.184	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-49.2	-30.2	176.5	68.3	-101.1	0	0	0	113.2	Y120 Q123 K128 N129 F132 L133	Y120-Y126 AromaticContact CD2-CD1 3.96Å; Y120-Y126 HydrophobicContact CD2-CD1 3.96Å; Y120-Y126 AromaticContact CD2-CD2 3.83Å; Y120-Y126 HydrophobicContact CD2-CD2 3.83Å; Y120-Y126 HydrophobicContact CD2-CE1 4.02Å; Y120-Y126 AromaticContact CD2-CE2 3.94Å; Y120-Y126 HydrophobicContact CD2-CE2 3.94Å; Y120-Y126 AromaticContact CD2-CG 3.9Å; Y120-Y126 HydrophobicContact CD2-CG 3.9Å; Y120-Y126 HydrophobicContact CE1-CE1 4.28Å; Y120-Y126 AromaticContact CE2-CD1 3.89Å; Y120-Y126 HydrophobicContact CE2-CD1 3.89Å; Y120-Y126 AromaticContact CE2-CD2 3.7Å; Y120-Y126 HydrophobicContact CE2-CD2 3.7Å; Y120-Y126 AromaticContact CE2-CE1 3.46Å; Y120-Y126 HydrophobicContact CE2-CE1 3.46Å; Y120-Y126 VanDerWaalsContact CE2-CE1 3.46Å; Y120-Y126 AromaticContact CE2-CE2 3.3Å; Y120-Y126 HydrophobicContact CE2-CE2 3.3Å; Y120-Y126 HydrophobicContact CE2-CG 4.03Å; Y120-Y126 AromaticContact CE2-CZ 3.16Å; Y120-Y126 HydrophobicContact CG-CD1 4.48Å; Y120-Y126 AromaticContact CZ-CE1 3.58Å; Y120-Y126 AromaticContact CZ-CZ 3.47Å; Y120-Y126 VanDerWaalsContact CZ-CZ 3.47Å; Y120-Y126 PolarHBondContact OH-OH 3.45Å; Q123-Y126 WeakPolarHBondContact O-CD1 3.29Å; Y126-K128 PolarHBondContact O-N 3Å; Y126-N129 PolarHBondContact O-N 3.47Å; Y126-N129 VanDerWaalsContact O-N 3.15Å; Y126-F132 AromaticContact CD2-CE1 3.98Å; Y126-F132 HydrophobicContact CD2-CE1 3.98Å; Y126-F132 HydrophobicContact CG-CE1 4.38Å; Y126-L133 HydrophobicContact CD2-CD2 4.38Å
127	W	89.6	Confident	94.2	Very high	130 Å²	130	51.6 Å²	51.6	49%	0.492	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-68.5	-16.3	-175.6	59.5	-94.8	0	0	0	113.2	D125 N129 L133 V159	D125-W127 PolarHBondContact O-N 3.21Å; W127-N129 VanDerWaalsContact C-N 3.31Å; W127-L133 WeakPolarHBondContact O-CD1 3.21Å; W127-V159 WeakPolarHBondContact O-CG2 3.43Å
128	K	93.2	Very high	94.3	Very high	117 Å²	117	46.7 Å²	46.7	51%	0.509	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-77.2	-19.4	174.4	-64.6	178.4	-170	157.3	0	112.9	D125 Y126 A130	D125-K128 HydrophobicContact CB-CD 4.18Å; D125-K128 PolarHBondContact O-N 3.05Å; D125-K128 IonicContact OD2-NZ 2.87Å; D125-K128 PolarHBondContact OD2-NZ 3.44Å; Y126-K128 PolarHBondContact O-N 3Å; K128-A130 PolarHBondContact O-N 3.2Å
129	N	94.4	Very high	94.5	Very high	46 Å²	46	41 Å²	41	25%	0.246	21%	0.209	C	C	.	.			trans	-89.3	92.8	-176.5	-173.3	-18.1	0	0	0	110.4	Y126 W127 A131 F132 L133	Y126-N129 PolarHBondContact O-N 3.47Å; Y126-N129 VanDerWaalsContact O-N 3.15Å; W127-N129 VanDerWaalsContact C-N 3.31Å; N129-A131 VanDerWaalsContact C-N 3.29Å; N129-A131 PolarHBondContact O-N 3.32Å; N129-A131 PolarHBondContact OD1-N 3.46Å; N129-F132 HydrophobicContact CB-CB 3.89Å; N129-F132 WeakPolarHBondContact O-CB 3.42Å; N129-F132 PolarHBondContact O-N 3.47Å; N129-F132 PolarHBondContact OD1-N 2.95Å; N129-L133 WeakPolarHBondContact O-CG 3.38Å; N129-L133 PolarHBondContact O-N 3.28Å
130	A	95.8	Very high	94.7	Very high	11 Å²	11	43.2 Å²	43.2	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-59.4	-36.5	179.4	0	0	0	0	0	113	K128 L133 Y134 V156 D160 F163	K128-A130 PolarHBondContact O-N 3.2Å; A130-L133 PolarHBondContact O-N 3.39Å; A130-Y134 VanDerWaalsContact O-CB 3.29Å; A130-Y134 WeakPolarHBondContact O-CB 3.43Å; A130-Y134 PolarHBondContact O-N 2.93Å; A130-V156 HydrophobicContact CB-CG1 4.31Å; A130-D160 HydrophobicContact CB-CB 4.13Å; A130-F163 HydrophobicContact CB-CD2 3.9Å; A130-F163 HydrophobicContact CB-CE2 3.8Å
131	A	95.6	Very high	94.8	Very high	13 Å²	13	40.2 Å²	40.2	11%	0.107	21%	0.207	C	C	.	.	H	α-helix	trans	-66.1	-42.5	177.6	0	0	0	0	0	111.3	S54 N129 Y134 G135	S54-A131 PolarHBondContact OG-O 3.23Å; N129-A131 VanDerWaalsContact C-N 3.29Å; N129-A131 PolarHBondContact O-N 3.32Å; N129-A131 PolarHBondContact OD1-N 3.46Å; A131-Y134 PolarHBondContact O-N 3.35Å; A131-G135 PolarHBondContact O-N 3.07Å
132	F	96.5	Very high	95	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.5	-53	172.7	165.5	-105.5	0	0	0	111.6	Y116 Y119 Y120 Y126 N129 Y134 G135 L136	Y116-F132 AromaticContact CD1-CD2 3.48Å; Y116-F132 HydrophobicContact CD1-CD2 3.48Å; Y116-F132 VanDerWaalsContact CD1-CD2 3.48Å; Y116-F132 AromaticContact CD1-CE2 3.46Å; Y116-F132 HydrophobicContact CD1-CE2 3.46Å; Y116-F132 VanDerWaalsContact CD1-CE2 3.46Å; Y116-F132 AromaticContact CE1-CD2 3.84Å; Y116-F132 HydrophobicContact CE1-CD2 3.84Å; Y116-F132 HydrophobicContact CE1-CE2 4.27Å; Y116-F132 HydrophobicContact CG-CD2 4.17Å; Y116-F132 AromaticContact CG-CE2 3.76Å; Y116-F132 HydrophobicContact CG-CE2 3.76Å; Y119-F132 HydrophobicContact CD1-CD1 4.07Å; Y119-F132 AromaticContact CD1-CD2 3.47Å; Y119-F132 HydrophobicContact CD1-CD2 3.47Å; Y119-F132 VanDerWaalsContact CD1-CD2 3.47Å; Y119-F132 HydrophobicContact CD1-CE1 4.08Å; Y119-F132 AromaticContact CD1-CE2 3.47Å; Y119-F132 HydrophobicContact CD1-CE2 3.47Å; Y119-F132 VanDerWaalsContact CD1-CE2 3.47Å; Y119-F132 AromaticContact CD1-CG 3.78Å; Y119-F132 HydrophobicContact CD1-CG 3.78Å; Y119-F132 AromaticContact CD1-CZ 3.79Å; Y119-F132 HydrophobicContact CD1-CZ 3.79Å; Y119-F132 HydrophobicContact CE1-CB 4.16Å; Y119-F132 AromaticContact CE1-CD1 3.89Å; Y119-F132 HydrophobicContact CE1-CD1 3.89Å; Y119-F132 AromaticContact CE1-CD2 3.85Å; Y119-F132 HydrophobicContact CE1-CD2 3.85Å; Y119-F132 HydrophobicContact CE1-CE1 4.27Å; Y119-F132 HydrophobicContact CE1-CE2 4.23Å; Y119-F132 AromaticContact CE1-CG 3.67Å; Y119-F132 HydrophobicContact CE1-CG 3.67Å; Y119-F132 HydrophobicContact CE1-CZ 4.43Å; Y119-F132 HydrophobicContact CG-CD2 4.44Å; Y119-F132 HydrophobicContact CG-CE2 4.36Å; Y120-F132 HydrophobicContact CD2-CE1 4.27Å; Y120-F132 HydrophobicContact CD2-CZ 4.18Å; Y126-F132 AromaticContact CD2-CE1 3.98Å; Y126-F132 HydrophobicContact CD2-CE1 3.98Å; Y126-F132 HydrophobicContact CG-CE1 4.38Å; N129-F132 HydrophobicContact CB-CB 3.89Å; N129-F132 WeakPolarHBondContact O-CB 3.42Å; N129-F132 PolarHBondContact O-N 3.47Å; N129-F132 PolarHBondContact OD1-N 2.95Å; F132-Y134 VanDerWaalsContact C-N 3.27Å; F132-Y134 PolarHBondContact O-N 3.49Å; F132-G135 PolarHBondContact O-N 3.32Å; F132-G135 VanDerWaalsContact O-N 3.09Å; F132-L136 HydrophobicContact CE1-CD2 4.24Å; F132-L136 HydrophobicContact CZ-CB 4.49Å; F132-L136 HydrophobicContact CZ-CD2 3.9Å; F132-L136 PolarHBondContact O-N 3.32Å
133	L	97.1	Very high	95.3	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-58.4	-40.7	-179.7	-69.7	174.7	0	0	0	111.9	Y126 W127 N129 A130 L136 G137 E155 V156 V159	Y126-L133 HydrophobicContact CD2-CD2 4.38Å; W127-L133 WeakPolarHBondContact O-CD1 3.21Å; N129-L133 WeakPolarHBondContact O-CG 3.38Å; N129-L133 PolarHBondContact O-N 3.28Å; A130-L133 PolarHBondContact O-N 3.39Å; L133-L136 PolarHBondContact O-N 2.9Å; L133-G137 PolarHBondContact O-N 3.05Å; L133-E155 HydrophobicContact CD1-CB 3.92Å; L133-V156 HydrophobicContact CB-CG2 3.48Å; L133-V156 VanDerWaalsContact CB-CG2 3.48Å; L133-V159 HydrophobicContact CD1-CG2 4.34Å
134	Y	97.6	Very high	95.5	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-45.8	175.1	178.6	-114.6	0	0	0	111.9	S54 A130 A131 F132 L136 G137 L138 F153 V156 F163 R165 I169	S54-Y134 WeakPolarHBondContact O-CE1 3.48Å; A130-Y134 VanDerWaalsContact O-CB 3.29Å; A130-Y134 WeakPolarHBondContact O-CB 3.43Å; A130-Y134 PolarHBondContact O-N 2.93Å; A131-Y134 PolarHBondContact O-N 3.35Å; F132-Y134 VanDerWaalsContact C-N 3.27Å; F132-Y134 PolarHBondContact O-N 3.49Å; Y134-L136 PolarHBondContact O-N 3.46Å; Y134-G137 PolarHBondContact O-N 3.02Å; Y134-L138 HydrophobicContact CD1-CD1 4.01Å; Y134-L138 HydrophobicContact CE1-CD1 3.51Å; Y134-L138 HydrophobicContact CE1-CG 4.3Å; Y134-L138 HydrophobicContact CE2-CD1 4.31Å; Y134-L138 HydrophobicContact CE2-CD2 4.37Å; Y134-L138 HydrophobicContact CE2-CG 4.24Å; Y134-L138 WeakPolarHBondContact O-CG 3.13Å; Y134-L138 PolarHBondContact O-N 3.22Å; Y134-F153 HydrophobicContact CD2-CD1 4.1Å; Y134-F153 AromaticContact CD2-CE1 3.76Å; Y134-F153 HydrophobicContact CD2-CE1 3.76Å; Y134-F153 AromaticContact CE2-CE1 3.97Å; Y134-F153 HydrophobicContact CE2-CE1 3.97Å; Y134-V156 VanDerWaalsContact N-CG2 3.29Å; Y134-F163 HydrophobicContact CD1-CE1 4.03Å; Y134-F163 HydrophobicContact CD1-CZ 4.13Å; Y134-F163 AromaticContact CD2-CE1 3.93Å; Y134-F163 HydrophobicContact CD2-CE1 3.93Å; Y134-F163 AromaticContact CG-CE1 3.66Å; Y134-F163 HydrophobicContact CG-CE1 3.66Å; Y134-F163 AromaticContact CG-CZ 3.93Å; Y134-F163 HydrophobicContact CG-CZ 3.93Å; Y134-R165 HydrophobicContact CE1-CB 4.37Å; Y134-R165 HydrophobicContact CE1-CG 4.18Å; Y134-R165 HydrophobicContact CE2-CB 4.16Å; Y134-I169 HydrophobicContact CD2-CD1 3.77Å; Y134-I169 HydrophobicContact CD2-CG1 3.68Å; Y134-I169 HydrophobicContact CE2-CD1 4.16Å; Y134-I169 HydrophobicContact CE2-CG1 3.62Å
135	G	97.2	Very high	95.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.4	-44	176.8	0	0	0	0	0	112.5	A131 F132 L138 V139	A131-G135 PolarHBondContact O-N 3.07Å; F132-G135 PolarHBondContact O-N 3.32Å; F132-G135 VanDerWaalsContact O-N 3.09Å; G135-L138 WeakPolarHBondContact O-CB 3.41Å; G135-L138 PolarHBondContact O-N 3.22Å; G135-V139 WeakPolarHBondContact O-CG2 3.44Å; G135-V139 PolarHBondContact O-N 3.34Å; G135-V139 VanDerWaalsContact O-N 3.08Å
136	L	97.3	Very high	96	Very high	11 Å²	11	40.2 Å²	40.2	6%	0.058	19%	0.187	C	C	.	.	H	α-helix	trans	-64.3	-41.7	176	-175.9	62	0	0	0	111.7	L113 Y116 F132 L133 Y134 L138 V139 Y140	L113-L136 HydrophobicContact CD1-CD1 4.1Å; Y116-L136 HydrophobicContact CD2-CB 4.45Å; Y116-L136 HydrophobicContact CD2-CD1 4.34Å; F132-L136 HydrophobicContact CE1-CD2 4.24Å; F132-L136 HydrophobicContact CZ-CB 4.49Å; F132-L136 HydrophobicContact CZ-CD2 3.9Å; F132-L136 PolarHBondContact O-N 3.32Å; L133-L136 PolarHBondContact O-N 2.9Å; Y134-L136 PolarHBondContact O-N 3.46Å; L136-L138 VanDerWaalsContact C-N 3.34Å; L136-L138 PolarHBondContact O-N 3.43Å; L136-V139 PolarHBondContact O-N 3.14Å; L136-Y140 HydrophobicContact CD1-CD2 4.33Å; L136-Y140 HydrophobicContact CD1-CE1 4.26Å; L136-Y140 HydrophobicContact CD1-CE2 3.75Å; L136-Y140 HydrophobicContact CD2-CE2 3.8Å; L136-Y140 HydrophobicContact CG-CD2 3.96Å; L136-Y140 HydrophobicContact CG-CE2 3.46Å; L136-Y140 VanDerWaalsContact CG-CE2 3.46Å; L136-Y140 WeakPolarHBondContact O-CD2 3.44Å; L136-Y140 PolarHBondContact O-N 3.48Å
137	G	97.6	Very high	96.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.5	-41.2	174.1	0	0	0	0	0	112.8	L133 Y134 Y140 F141	L133-G137 PolarHBondContact O-N 3.05Å; Y134-G137 PolarHBondContact O-N 3.02Å; G137-Y140 PolarHBondContact O-N 2.95Å; G137-F141 VanDerWaalsContact O-CB 3.28Å; G137-F141 WeakPolarHBondContact O-CB 3.32Å; G137-F141 PolarHBondContact O-N 3.24Å
138	L	97.4	Very high	96.6	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-41.4	174.5	-72.1	172	0	0	0	112.5	F57 L104 Y134 G135 L136 F141 H142 F153	F57-L138 HydrophobicContact CB-CD1 3.81Å; F57-L138 HydrophobicContact CD1-CD1 3.62Å; F57-L138 HydrophobicContact CD1-CD2 4.13Å; F57-L138 HydrophobicContact CD1-CG 4.43Å; F57-L138 HydrophobicContact CE1-CD1 4.46Å; F57-L138 HydrophobicContact CE1-CD2 4.39Å; F57-L138 HydrophobicContact CG-CD1 3.81Å; L104-L138 HydrophobicContact CD1-CB 4.36Å; L104-L138 HydrophobicContact CD2-CB 4.4Å; L104-L138 HydrophobicContact CD2-CD1 4.02Å; Y134-L138 HydrophobicContact CD1-CD1 4.01Å; Y134-L138 HydrophobicContact CE1-CD1 3.51Å; Y134-L138 HydrophobicContact CE1-CG 4.3Å; Y134-L138 HydrophobicContact CE2-CD1 4.31Å; Y134-L138 HydrophobicContact CE2-CD2 4.37Å; Y134-L138 HydrophobicContact CE2-CG 4.24Å; Y134-L138 WeakPolarHBondContact O-CG 3.13Å; Y134-L138 PolarHBondContact O-N 3.22Å; G135-L138 WeakPolarHBondContact O-CB 3.41Å; G135-L138 PolarHBondContact O-N 3.22Å; L136-L138 VanDerWaalsContact C-N 3.34Å; L136-L138 PolarHBondContact O-N 3.43Å; L138-F141 WeakPolarHBondContact O-CB 3.47Å; L138-F141 PolarHBondContact O-N 3.46Å; L138-H142 PolarHBondContact O-N 2.97Å; L138-F153 HydrophobicContact CD2-CZ 4.17Å; L138-F153 HydrophobicContact CG-CE1 4.39Å; L138-F153 HydrophobicContact CG-CZ 4.36Å
139	V	97.9	Very high	96.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.6	-45.8	176.3	175.2	0	0	0	0	110.7	L104 Y109 A112 L113 Y116 G135 L136 F141 H142 Y143	L104-V139 HydrophobicContact CD1-CG2 3.92Å; Y109-V139 HydrophobicContact CD1-CG2 4.46Å; A112-V139 HydrophobicContact CB-CG2 4.12Å; L113-V139 HydrophobicContact CB-CG1 3.79Å; L113-V139 HydrophobicContact CD1-CG1 3.91Å; L113-V139 HydrophobicContact CD2-CG1 4.47Å; L113-V139 HydrophobicContact CG-CG1 4.26Å; Y116-V139 HydrophobicContact CD2-CG2 4.19Å; Y116-V139 HydrophobicContact CE2-CG2 4.05Å; G135-V139 WeakPolarHBondContact O-CG2 3.44Å; G135-V139 PolarHBondContact O-N 3.34Å; G135-V139 VanDerWaalsContact O-N 3.08Å; L136-V139 PolarHBondContact O-N 3.14Å; V139-F141 VanDerWaalsContact C-N 3.31Å; V139-F141 PolarHBondContact O-N 3.11Å; V139-H142 WeakPolarHBondContact O-CB 3.4Å; V139-H142 PolarHBondContact O-N 3Å; V139-Y143 HydrophobicContact CG1-CD2 4.02Å; V139-Y143 HydrophobicContact CG1-CE2 3.8Å; V139-Y143 WeakPolarHBondContact O-CD2 3.19Å; V139-Y143 PolarHBondContact O-N 3.31Å
140	Y	97.9	Very high	97	Very high	52 Å²	52	38.7 Å²	38.7	20%	0.204	18%	0.181	C	C	.	.	H	α-helix	trans	-63.1	-38.4	175.5	-70.8	-38	0	0	0	112.7	L113 L136 G137 H142 Y143 N144 A145 W148	L113-Y140 HydrophobicContact CD1-CE1 4.14Å; L136-Y140 HydrophobicContact CD1-CD2 4.33Å; L136-Y140 HydrophobicContact CD1-CE1 4.26Å; L136-Y140 HydrophobicContact CD1-CE2 3.75Å; L136-Y140 HydrophobicContact CD2-CE2 3.8Å; L136-Y140 HydrophobicContact CG-CD2 3.96Å; L136-Y140 HydrophobicContact CG-CE2 3.46Å; L136-Y140 VanDerWaalsContact CG-CE2 3.46Å; L136-Y140 WeakPolarHBondContact O-CD2 3.44Å; L136-Y140 PolarHBondContact O-N 3.48Å; G137-Y140 PolarHBondContact O-N 2.95Å; Y140-H142 VanDerWaalsContact C-N 3.34Å; Y140-Y143 CarbonylContact O-C 3.58Å; Y140-Y143 PolarHBondContact O-N 3.27Å; Y140-N144 PolarHBondContact O-N 3.43Å; Y140-A145 HydrophobicContact CD1-CB 4.41Å; Y140-A145 PolarHBondContact O-N 3.24Å; Y140-W148 HydrophobicContact CD1-CB 4.27Å; Y140-W148 HydrophobicContact CD2-CB 3.65Å; Y140-W148 HydrophobicContact CE1-CB 4.49Å; Y140-W148 HydrophobicContact CE2-CB 3.88Å; Y140-W148 HydrophobicContact CG-CB 3.87Å
141	F	96.9	Very high	97	Very high	49 Å²	49	43.3 Å²	43.3	22%	0.215	20%	0.199	C	C	.	.	H	α-helix	trans	-60.5	-43.8	174.8	-178.6	-91.2	0	0	0	111.5	G137 L138 V139 Y143 N144 A149 F153 R172 M176	G137-F141 VanDerWaalsContact O-CB 3.28Å; G137-F141 WeakPolarHBondContact O-CB 3.32Å; G137-F141 PolarHBondContact O-N 3.24Å; L138-F141 WeakPolarHBondContact O-CB 3.47Å; L138-F141 PolarHBondContact O-N 3.46Å; V139-F141 VanDerWaalsContact C-N 3.31Å; V139-F141 PolarHBondContact O-N 3.11Å; F141-Y143 VanDerWaalsContact C-N 3.26Å; F141-Y143 PolarHBondContact O-N 2.89Å; F141-N144 PolarHBondContact O-N 2.97Å; F141-A149 HydrophobicContact CB-CB 4.28Å; F141-F153 HydrophobicContact CB-CE2 4.35Å; F141-R172 HydrophobicContact CE2-CB 4.33Å; F141-R172 HydrophobicContact CE2-CG 4.43Å; F141-M176 HydrophobicContact CD2-CE 4.25Å; F141-M176 HydrophobicContact CD2-CG 3.9Å; F141-M176 HydrophobicContact CD2-SD 3.65Å; F141-M176 HydrophobicContact CE2-CG 3.77Å; F141-M176 HydrophobicContact CE2-SD 4.16Å
142	H	96.3	Very high	97.1	Very high	85 Å²	85	42.9 Å²	42.9	39%	0.394	20%	0.196	S	C	.	.	H	α-helix	trans	-58.5	-37.8	176.5	173.6	-93.4	0	0	0	112.6	Y109 L138 V139 Y140 N144	Y109-H142 HydrophobicContact CD1-CB 3.88Å; Y109-H142 AromaticContact CD1-CG 3.77Å; Y109-H142 AromaticContact CD2-CD2 3.61Å; Y109-H142 AromaticContact CD2-CE1 3.41Å; Y109-H142 VanDerWaalsContact CD2-CE1 3.41Å; Y109-H142 WeakPolarHBondContact CD2-CE1 3.29Å; Y109-H142 AromaticContact CD2-CG 3.75Å; Y109-H142 AromaticContact CD2-ND1 3.63Å; Y109-H142 AromaticContact CD2-NE2 3.4Å; Y109-H142 WeakPolarHBondContact CD2-NE2 3.5Å; Y109-H142 HydrophobicContact CE1-CB 3.86Å; Y109-H142 AromaticContact CE1-CD2 3.98Å; Y109-H142 AromaticContact CE1-CG 3.84Å; Y109-H142 AromaticContact CE2-CD2 3.31Å; Y109-H142 WeakPolarHBondContact CE2-CD2 3.4Å; Y109-H142 AromaticContact CE2-CE1 3.89Å; Y109-H142 AromaticContact CE2-CG 3.83Å; Y109-H142 AromaticContact CE2-NE2 3.37Å; Y109-H142 WeakPolarHBondContact CE2-NE2 3.45Å; Y109-H142 HydrophobicContact CG-CB 4.3Å; Y109-H142 AromaticContact CG-CE1 3.81Å; Y109-H142 AromaticContact CG-CG 3.71Å; Y109-H142 AromaticContact CG-ND1 3.55Å; Y109-H142 AromaticContact CZ-CD2 3.5Å; Y109-H142 AromaticContact CZ-CG 3.86Å; L138-H142 PolarHBondContact O-N 2.97Å; V139-H142 WeakPolarHBondContact O-CB 3.4Å; V139-H142 PolarHBondContact O-N 3Å; Y140-H142 VanDerWaalsContact C-N 3.34Å; H142-N144 VanDerWaalsContact C-N 3.26Å; H142-N144 PolarHBondContact O-N 3.49Å
143	Y	96.9	Very high	97.2	Very high	99 Å²	99	42.9 Å²	42.9	39%	0.388	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	8.4	176.5	-67.8	-65.4	0	0	0	114.3	L113 V139 Y140 F141 A145	L113-Y143 HydrophobicContact CD2-CE2 4.12Å; V139-Y143 HydrophobicContact CG1-CD2 4.02Å; V139-Y143 HydrophobicContact CG1-CE2 3.8Å; V139-Y143 WeakPolarHBondContact O-CD2 3.19Å; V139-Y143 PolarHBondContact O-N 3.31Å; Y140-Y143 CarbonylContact O-C 3.58Å; Y140-Y143 PolarHBondContact O-N 3.27Å; F141-Y143 VanDerWaalsContact C-N 3.26Å; F141-Y143 PolarHBondContact O-N 2.89Å; Y143-A145 PolarHBondContact O-N 2.75Å; Y143-A145 VanDerWaalsContact O-N 3.11Å
144	N	96	Very high	97.2	Very high	108 Å²	108	47.1 Å²	47.1	58%	0.578	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	24.7	-174.4	-59.4	-46.9	0	0	0	114	Y140 F141 H142 F146	Y140-N144 PolarHBondContact O-N 3.43Å; F141-N144 PolarHBondContact O-N 2.97Å; H142-N144 VanDerWaalsContact C-N 3.26Å; H142-N144 PolarHBondContact O-N 3.49Å; N144-F146 HydrophobicContact CB-CE1 4.01Å; N144-F146 HydrophobicContact CB-CE2 4.41Å; N144-F146 HydrophobicContact CB-CZ 3.88Å; N144-F146 PolarHBondContact O-N 2.85Å
145	A	96.8	Very high	97.1	Very high	31 Å²	31	49.7 Å²	49.7	26%	0.256	23%	0.228	S	C	.	.			trans	-79.5	62.2	175.2	0	0	0	0	0	109.8	Y140 Y143 Q147 W148 A149	Y140-A145 HydrophobicContact CD1-CB 4.41Å; Y140-A145 PolarHBondContact O-N 3.24Å; Y143-A145 PolarHBondContact O-N 2.75Å; Y143-A145 VanDerWaalsContact O-N 3.11Å; A145-Q147 VanDerWaalsContact C-N 3.31Å; A145-Q147 PolarHBondContact O-N 3.47Å; A145-W148 PolarHBondContact O-N 2.96Å; A145-A149 PolarHBondContact O-N 3.48Å
146	F	96.3	Very high	97.1	Very high	39 Å²	39	49.7 Å²	49.7	17%	0.171	23%	0.228	C	C	.	.	H	α-helix	trans	-58.9	-36.8	-166.1	-60.9	-36.3	0	0	0	113.8	N144 W148 A149 I150 M176 V179	N144-F146 HydrophobicContact CB-CE1 4.01Å; N144-F146 HydrophobicContact CB-CE2 4.41Å; N144-F146 HydrophobicContact CB-CZ 3.88Å; N144-F146 PolarHBondContact O-N 2.85Å; F146-W148 VanDerWaalsContact C-N 3.31Å; F146-W148 PolarHBondContact O-N 3.14Å; F146-A149 PolarHBondContact O-N 2.91Å; F146-I150 HydrophobicContact CB-CD1 4.47Å; F146-I150 VanDerWaalsContact O-CB 3.29Å; F146-I150 WeakPolarHBondContact O-CB 3.39Å; F146-I150 WeakPolarHBondContact O-CD1 3.41Å; F146-I150 WeakPolarHBondContact O-CG1 3.4Å; F146-I150 PolarHBondContact O-N 3.46Å; F146-M176 HydrophobicContact CB-CG 4.46Å; F146-M176 HydrophobicContact CB-SD 4.18Å; F146-M176 HydrophobicContact CD1-CB 4.39Å; F146-M176 HydrophobicContact CD1-CG 3.59Å; F146-M176 HydrophobicContact CD1-SD 3.64Å; F146-M176 HydrophobicContact CE1-CG 4.04Å; F146-M176 HydrophobicContact CE1-SD 4.47Å; F146-M176 HydrophobicContact CG-CB 4.46Å; F146-M176 HydrophobicContact CG-CG 4.12Å; F146-M176 HydrophobicContact CG-SD 4.25Å; F146-V179 HydrophobicContact CD2-CG1 4.36Å; F146-V179 HydrophobicContact CE2-CB 4.31Å; F146-V179 HydrophobicContact CE2-CG1 3.71Å
147	Q	96.4	Very high	97	Very high	140 Å²	140	50.6 Å²	50.6	65%	0.654	23%	0.232	S	C	*	.	H	α-helix	trans	-58.3	-43.9	176.9	-65.4	-62.7	-33.2	0	0	111.9	A145 K151	A145-Q147 VanDerWaalsContact C-N 3.31Å; A145-Q147 PolarHBondContact O-N 3.47Å; Q147-K151 PolarHBondContact O-N 3.11Å
148	W	97.2	Very high	97	Very high	156 Å²	156	60 Å²	60	59%	0.591	27%	0.269	S	S	*	.	H	α-helix	trans	-75.8	-39.1	178.4	-64.1	110	0	0	0	112.3	Y140 A145 F146 K151 A152	Y140-W148 HydrophobicContact CD1-CB 4.27Å; Y140-W148 HydrophobicContact CD2-CB 3.65Å; Y140-W148 HydrophobicContact CE1-CB 4.49Å; Y140-W148 HydrophobicContact CE2-CB 3.88Å; Y140-W148 HydrophobicContact CG-CB 3.87Å; A145-W148 PolarHBondContact O-N 2.96Å; F146-W148 VanDerWaalsContact C-N 3.31Å; F146-W148 PolarHBondContact O-N 3.14Å; W148-K151 PolarHBondContact O-N 3.14Å; W148-A152 WeakPolarHBondContact O-CB 3.47Å; W148-A152 PolarHBondContact O-N 3.23Å
149	A	97.9	Very high	96.8	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.4	-45.8	177.4	0	0	0	0	0	112.1	F141 A145 F146 K151 A152 F153 M176	F141-A149 HydrophobicContact CB-CB 4.28Å; A145-A149 PolarHBondContact O-N 3.48Å; F146-A149 PolarHBondContact O-N 2.91Å; A149-K151 VanDerWaalsContact C-N 3.34Å; A149-K151 PolarHBondContact O-N 3.48Å; A149-A152 PolarHBondContact O-N 3.25Å; A149-F153 HydrophobicContact CB-CE2 4.41Å; A149-F153 WeakPolarHBondContact O-CB 3.4Å; A149-F153 WeakPolarHBondContact O-CD2 3.44Å; A149-F153 WeakPolarHBondContact O-CG 3.34Å; A149-F153 PolarHBondContact O-N 3.05Å; A149-M176 HydrophobicContact CB-CE 4.24Å; A149-M176 HydrophobicContact CB-SD 3.69Å
150	I	97.6	Very high	96.7	Very high	12 Å²	12	64.3 Å²	64.3	6%	0.062	29%	0.294	C	S	.	.	H	α-helix	trans	-57.4	-49.6	176.6	-71.6	165.5	0	0	0	109.9	F146 A152 F153 Q154 L173 M176 F177	F146-I150 HydrophobicContact CB-CD1 4.47Å; F146-I150 VanDerWaalsContact O-CB 3.29Å; F146-I150 WeakPolarHBondContact O-CB 3.39Å; F146-I150 WeakPolarHBondContact O-CD1 3.41Å; F146-I150 WeakPolarHBondContact O-CG1 3.4Å; F146-I150 PolarHBondContact O-N 3.46Å; I150-A152 PolarHBondContact O-N 3.33Å; I150-F153 PolarHBondContact O-N 2.99Å; I150-Q154 HydrophobicContact CG2-CG 4.38Å; I150-Q154 WeakPolarHBondContact O-CB 3.4Å; I150-Q154 VanDerWaalsContact O-CG 3.32Å; I150-Q154 WeakPolarHBondContact O-CG 3.13Å; I150-Q154 PolarHBondContact O-N 2.95Å; I150-L173 HydrophobicContact CB-CD2 4.13Å; I150-L173 HydrophobicContact CG1-CD2 4.04Å; I150-L173 HydrophobicContact CG2-CD2 3.97Å; I150-M176 HydrophobicContact CD1-CB 4.09Å; I150-M176 HydrophobicContact CG1-CB 4.07Å; I150-M176 HydrophobicContact CG1-CE 3.74Å; I150-M176 HydrophobicContact CG1-SD 3.88Å; I150-F177 HydrophobicContact CD1-CD1 4.4Å; I150-F177 HydrophobicContact CD1-CE1 4.13Å; I150-F177 HydrophobicContact CD1-CZ 4.34Å; I150-F177 HydrophobicContact CG2-CE1 4.41Å; I150-F177 HydrophobicContact CG2-CE2 4.34Å; I150-F177 HydrophobicContact CG2-CZ 3.77Å
151	K	97.2	Very high	96.3	Very high	108 Å²	108	66.7 Å²	66.7	47%	0.47	32%	0.316	S	S	.	.	H	α-helix	trans	-58.6	-50.2	179.1	-176.5	178	175.8	-177.6	0	111.7	Q147 W148 A149 F153 Q154 E155	Q147-K151 PolarHBondContact O-N 3.11Å; W148-K151 PolarHBondContact O-N 3.14Å; A149-K151 VanDerWaalsContact C-N 3.34Å; A149-K151 PolarHBondContact O-N 3.48Å; K151-F153 VanDerWaalsContact C-N 3.33Å; K151-F153 PolarHBondContact O-N 3.23Å; K151-Q154 PolarHBondContact O-N 2.92Å; K151-E155 WeakPolarHBondContact CE-OE1 3.32Å; K151-E155 WeakPolarHBondContact O-CG 3.44Å; K151-E155 PolarHBondContact O-N 2.8Å
152	A	97.3	Very high	96	Very high	5 Å²	5	69.3 Å²	69.3	4%	0.041	34%	0.34	C	S	.	.	H	α-helix	trans	-59.3	-43.9	-179.7	0	0	0	0	0	112	W148 A149 I150 E155 V156	W148-A152 WeakPolarHBondContact O-CB 3.47Å; W148-A152 PolarHBondContact O-N 3.23Å; A149-A152 PolarHBondContact O-N 3.25Å; I150-A152 PolarHBondContact O-N 3.33Å; A152-E155 PolarHBondContact O-N 2.77Å; A152-V156 WeakPolarHBondContact O-CG2 3.4Å; A152-V156 PolarHBondContact O-N 3.34Å
153	F	97.8	Very high	95.9	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-67.6	-37.9	178.1	-77.3	-34.1	0	0	0	113.9	Y134 L138 F141 A149 I150 K151 E155 V156 L157 I169 R172 L173 M176	Y134-F153 HydrophobicContact CD2-CD1 4.1Å; Y134-F153 AromaticContact CD2-CE1 3.76Å; Y134-F153 HydrophobicContact CD2-CE1 3.76Å; Y134-F153 AromaticContact CE2-CE1 3.97Å; Y134-F153 HydrophobicContact CE2-CE1 3.97Å; L138-F153 HydrophobicContact CD2-CZ 4.17Å; L138-F153 HydrophobicContact CG-CE1 4.39Å; L138-F153 HydrophobicContact CG-CZ 4.36Å; F141-F153 HydrophobicContact CB-CE2 4.35Å; A149-F153 HydrophobicContact CB-CE2 4.41Å; A149-F153 WeakPolarHBondContact O-CB 3.4Å; A149-F153 WeakPolarHBondContact O-CD2 3.44Å; A149-F153 WeakPolarHBondContact O-CG 3.34Å; A149-F153 PolarHBondContact O-N 3.05Å; I150-F153 PolarHBondContact O-N 2.99Å; K151-F153 VanDerWaalsContact C-N 3.33Å; K151-F153 PolarHBondContact O-N 3.23Å; F153-E155 VanDerWaalsContact C-N 3.33Å; F153-V156 WeakPolarHBondContact O-CB 3.2Å; F153-V156 PolarHBondContact O-N 3.29Å; F153-L157 PolarHBondContact O-N 2.89Å; F153-I169 HydrophobicContact CB-CG2 3.62Å; F153-I169 HydrophobicContact CD1-CG1 4.06Å; F153-I169 HydrophobicContact CD1-CG2 4.14Å; F153-I169 HydrophobicContact CG-CG2 3.94Å; F153-R172 HydrophobicContact CE2-CB 4.1Å; F153-L173 HydrophobicContact CB-CD1 4.33Å; F153-L173 HydrophobicContact CB-CD2 3.99Å; F153-L173 HydrophobicContact CB-CG 4.18Å; F153-L173 HydrophobicContact CD2-CD2 4.45Å; F153-M176 HydrophobicContact CD2-CE 3.57Å; F153-M176 HydrophobicContact CE2-CE 3.8Å
154	Q	96.8	Very high	95.5	Very high	89 Å²	89	63.3 Å²	63.3	42%	0.416	32%	0.321	S	S	.	.	H	α-helix	trans	-64.7	-38.9	173.1	-73.4	175.3	-22.2	0	0	111.5	I150 K151 V156 L157 Y158 L173	I150-Q154 HydrophobicContact CG2-CG 4.38Å; I150-Q154 WeakPolarHBondContact O-CB 3.4Å; I150-Q154 VanDerWaalsContact O-CG 3.32Å; I150-Q154 WeakPolarHBondContact O-CG 3.13Å; I150-Q154 PolarHBondContact O-N 2.95Å; K151-Q154 PolarHBondContact O-N 2.92Å; Q154-V156 VanDerWaalsContact C-N 3.34Å; Q154-V156 PolarHBondContact O-N 3Å; Q154-L157 PolarHBondContact O-N 3.13Å; Q154-Y158 WeakPolarHBondContact O-CB 3.46Å; Q154-Y158 PolarHBondContact O-N 2.68Å; Q154-L173 HydrophobicContact CG-CD1 4.44Å; Q154-L173 HydrophobicContact CG-CD2 4.44Å
155	E	96.8	Very high	95.4	Very high	56 Å²	56	59.6 Å²	59.6	26%	0.262	30%	0.299	S	S	.	.	H	α-helix	trans	-61.9	-39.9	174.2	-72.6	177	-178.5	0	0	111.7	L133 K151 A152 F153 L157 Y158 V159	L133-E155 HydrophobicContact CD1-CB 3.92Å; K151-E155 WeakPolarHBondContact CE-OE1 3.32Å; K151-E155 WeakPolarHBondContact O-CG 3.44Å; K151-E155 PolarHBondContact O-N 2.8Å; A152-E155 PolarHBondContact O-N 2.77Å; F153-E155 VanDerWaalsContact C-N 3.33Å; E155-L157 PolarHBondContact O-N 3.03Å; E155-Y158 PolarHBondContact O-N 3.17Å; E155-V159 WeakPolarHBondContact O-CB 3.47Å; E155-V159 WeakPolarHBondContact O-CG2 3.46Å; E155-V159 PolarHBondContact O-N 3.41Å
156	V	97.4	Very high	95.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-56.5	-51.4	173.9	177.2	0	0	0	0	111.1	A130 L133 Y134 A152 F153 Q154 Y158 V159 D160 F163 I169	A130-V156 HydrophobicContact CB-CG1 4.31Å; L133-V156 HydrophobicContact CB-CG2 3.48Å; L133-V156 VanDerWaalsContact CB-CG2 3.48Å; Y134-V156 VanDerWaalsContact N-CG2 3.29Å; A152-V156 WeakPolarHBondContact O-CG2 3.4Å; A152-V156 PolarHBondContact O-N 3.34Å; F153-V156 WeakPolarHBondContact O-CB 3.2Å; F153-V156 PolarHBondContact O-N 3.29Å; Q154-V156 VanDerWaalsContact C-N 3.34Å; Q154-V156 PolarHBondContact O-N 3Å; V156-Y158 PolarHBondContact O-N 3.44Å; V156-V159 PolarHBondContact O-N 2.87Å; V156-D160 PolarHBondContact O-N 2.88Å; V156-F163 HydrophobicContact CG1-CB 4.22Å; V156-F163 HydrophobicContact CG1-CD1 3.63Å; V156-F163 HydrophobicContact CG1-CD2 4.13Å; V156-F163 HydrophobicContact CG1-CE1 3.86Å; V156-F163 HydrophobicContact CG1-CE2 4.36Å; V156-F163 HydrophobicContact CG1-CG 3.75Å; V156-F163 HydrophobicContact CG1-CZ 4.22Å; V156-I169 HydrophobicContact CB-CD1 3.98Å; V156-I169 HydrophobicContact CG1-CD1 3.49Å; V156-I169 VanDerWaalsContact CG1-CD1 3.49Å
157	L	95.4	Very high	95.1	Very high	29 Å²	29	57.1 Å²	57.1	15%	0.152	28%	0.284	C	S	.	.	H	α-helix	trans	-67.5	-25.7	-178.1	-65	173.5	0	0	0	112.9	F153 Q154 E155 P161 A166 I169 H170 L173	F153-L157 PolarHBondContact O-N 2.89Å; Q154-L157 PolarHBondContact O-N 3.13Å; E155-L157 PolarHBondContact O-N 3.03Å; L157-P161 WeakPolarHBondContact O-CA 3.43Å; L157-A166 HydrophobicContact CD2-CB 3.86Å; L157-I169 HydrophobicContact CD1-CG2 3.74Å; L157-I169 HydrophobicContact CD2-CB 4.44Å; L157-I169 HydrophobicContact CD2-CD1 4.24Å; L157-I169 HydrophobicContact CD2-CG2 4.27Å; L157-I169 HydrophobicContact CG-CG2 3.92Å; L157-H170 WeakPolarHBondContact CD1-CE1 3.3Å; L157-L173 HydrophobicContact CD1-CD1 4.02Å
158	Y	95.9	Very high	95	Very high	197 Å²	197	50.6 Å²	50.6	77%	0.773	25%	0.253	S	S	*	.	H	α-helix	trans	-74.2	-43.3	174.5	-179.3	-98.1	0	0	0	111.8	Q154 E155 V156	Q154-Y158 WeakPolarHBondContact O-CB 3.46Å; Q154-Y158 PolarHBondContact O-N 2.68Å; E155-Y158 PolarHBondContact O-N 3.17Å; V156-Y158 PolarHBondContact O-N 3.44Å
159	V	95.1	Very high	94.9	Very high	49 Å²	49	43.2 Å²	43.2	30%	0.297	23%	0.225	S	C	.	.	H	α-helix	trans	-74.8	-42.7	-177.3	173.7	0	0	0	0	111.2	W127 L133 E155 V156	W127-V159 WeakPolarHBondContact O-CG2 3.43Å; L133-V159 HydrophobicContact CD1-CG2 4.34Å; E155-V159 WeakPolarHBondContact O-CB 3.47Å; E155-V159 WeakPolarHBondContact O-CG2 3.46Å; E155-V159 PolarHBondContact O-N 3.41Å; V156-V159 PolarHBondContact O-N 2.87Å
160	D	94.2	Very high	94.8	Very high	47 Å²	47	44.5 Å²	44.5	25%	0.251	23%	0.231	S	C	.	.			trans	-133	91.9	176.6	-177.7	6	0	0	0	110.1	A130 V156 S162 F163	A130-D160 HydrophobicContact CB-CB 4.13Å; V156-D160 PolarHBondContact O-N 2.88Å; D160-S162 PolarHBondContact O-N 3.23Å; D160-S162 VanDerWaalsContact OD1-C 3.3Å; D160-S162 WeakPolarHBondContact OD1-CA 3.49Å; D160-S162 PolarHBondContact OD1-N 3.19Å; D160-S162 PolarHBondContact OD1-OG 3.01Å; D160-F163 HydrophobicContact CB-CB 4.17Å; D160-F163 HydrophobicContact CB-CD2 4.39Å; D160-F163 VanDerWaalsContact O-CB 3.28Å; D160-F163 WeakPolarHBondContact O-CB 3.47Å; D160-F163 PolarHBondContact O-N 3.42Å; D160-F163 VanDerWaalsContact O-N 3.16Å; D160-F163 PolarHBondContact OD1-N 3.14Å; D160-F163 VanDerWaalsContact OD1-N 3.15Å; D160-F163 WeakPolarHBondContact OD2-CA 3.14Å
161	P	90.8	Very high	94.7	Very high	102 Å²	102	44 Å²	44	66%	0.662	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.6	175.3	-23.9	34.4	0	0	0	113.7	L157	L157-P161 WeakPolarHBondContact O-CA 3.43Å
162	S	90.2	Very high	94.7	Very high	103 Å²	103	40.4 Å²	40.4	72%	0.72	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	15.9	179.2	54	0	0	0	0	113.3	D160 C164	D160-S162 PolarHBondContact O-N 3.23Å; D160-S162 VanDerWaalsContact OD1-C 3.3Å; D160-S162 WeakPolarHBondContact OD1-CA 3.49Å; D160-S162 PolarHBondContact OD1-N 3.19Å; D160-S162 PolarHBondContact OD1-OG 3.01Å; S162-C164 PolarHBondContact O-N 2.81Å
163	F	93.1	Very high	94.7	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.018	21%	0.21	C	C	.	.			trans	-55.7	131.2	-176.7	-168.7	-112.7	0	0	0	111.1	R55 A130 Y134 V156 D160 R165 A166 I169	R55-F163 HydrophobicContact CG-CE1 4.34Å; R55-F163 HydrophobicContact CG-CE2 4.05Å; R55-F163 HydrophobicContact CG-CZ 3.57Å; A130-F163 HydrophobicContact CB-CD2 3.9Å; A130-F163 HydrophobicContact CB-CE2 3.8Å; Y134-F163 HydrophobicContact CD1-CE1 4.03Å; Y134-F163 HydrophobicContact CD1-CZ 4.13Å; Y134-F163 AromaticContact CD2-CE1 3.93Å; Y134-F163 HydrophobicContact CD2-CE1 3.93Å; Y134-F163 AromaticContact CG-CE1 3.66Å; Y134-F163 HydrophobicContact CG-CE1 3.66Å; Y134-F163 AromaticContact CG-CZ 3.93Å; Y134-F163 HydrophobicContact CG-CZ 3.93Å; V156-F163 HydrophobicContact CG1-CB 4.22Å; V156-F163 HydrophobicContact CG1-CD1 3.63Å; V156-F163 HydrophobicContact CG1-CD2 4.13Å; V156-F163 HydrophobicContact CG1-CE1 3.86Å; V156-F163 HydrophobicContact CG1-CE2 4.36Å; V156-F163 HydrophobicContact CG1-CG 3.75Å; V156-F163 HydrophobicContact CG1-CZ 4.22Å; D160-F163 HydrophobicContact CB-CB 4.17Å; D160-F163 HydrophobicContact CB-CD2 4.39Å; D160-F163 VanDerWaalsContact O-CB 3.28Å; D160-F163 WeakPolarHBondContact O-CB 3.47Å; D160-F163 PolarHBondContact O-N 3.42Å; D160-F163 VanDerWaalsContact O-N 3.16Å; D160-F163 PolarHBondContact OD1-N 3.14Å; D160-F163 VanDerWaalsContact OD1-N 3.15Å; D160-F163 WeakPolarHBondContact OD2-CA 3.14Å; F163-R165 HydrophobicContact CD1-CB 3.86Å; F163-R165 HydrophobicContact CE1-CB 3.73Å; F163-R165 HydrophobicContact CE1-CG 4.27Å; F163-R165 PolarHBondContact O-N 3.11Å; F163-A166 VanDerWaalsContact O-CB 3.25Å; F163-A166 WeakPolarHBondContact O-CB 3.34Å; F163-A166 PolarHBondContact O-N 2.96Å; F163-I169 HydrophobicContact CD1-CD1 3.64Å; F163-I169 HydrophobicContact CE1-CD1 3.97Å
164	C	90.5	Very high	94.6	Very high	55 Å²	55	40.2 Å²	40.2	37%	0.372	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-13.3	-172.2	66.7	0	0	0	0	114.8	S162	S162-C164 PolarHBondContact O-N 2.81Å
165	R	92.3	Very high	94.6	Very high	29 Å²	29	38.1 Å²	38.1	11%	0.109	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	18.1	174.6	-58.5	-57.8	-173.4	-176	1.2	113.6	R55 Y134 F163 K167 E168 I169	R55-R165 HydrophobicContact CB-CG 4.3Å; R55-R165 VanDerWaalsContact O-CZ 3.28Å; R55-R165 PolarHBondContact O-NE 3.33Å; R55-R165 PolarHBondContact O-NH2 3.36Å; Y134-R165 HydrophobicContact CE1-CB 4.37Å; Y134-R165 HydrophobicContact CE1-CG 4.18Å; Y134-R165 HydrophobicContact CE2-CB 4.16Å; F163-R165 HydrophobicContact CD1-CB 3.86Å; F163-R165 HydrophobicContact CE1-CB 3.73Å; F163-R165 HydrophobicContact CE1-CG 4.27Å; F163-R165 PolarHBondContact O-N 3.11Å; R165-K167 VanDerWaalsContact C-N 3.28Å; R165-K167 PolarHBondContact O-N 3.35Å; R165-E168 HydrophobicContact CB-CB 4.37Å; R165-E168 WeakPolarHBondContact O-CB 3.44Å; R165-E168 PolarHBondContact O-N 3.33Å; R165-I169 WeakPolarHBondContact O-CG1 3.38Å; R165-I169 PolarHBondContact O-N 3.28Å
166	A	93.8	Very high	94.6	Very high	8 Å²	8	35.5 Å²	35.5	7%	0.066	19%	0.19	C	C	.	.	H	α-helix	trans	-53.2	-43.6	179.7	0	0	0	0	0	112.6	L157 F163 E168 I169 H170	L157-A166 HydrophobicContact CD2-CB 3.86Å; F163-A166 VanDerWaalsContact O-CB 3.25Å; F163-A166 WeakPolarHBondContact O-CB 3.34Å; F163-A166 PolarHBondContact O-N 2.96Å; A166-E168 PolarHBondContact O-N 2.74Å; A166-I169 WeakPolarHBondContact O-CB 3.46Å; A166-I169 PolarHBondContact O-N 3.35Å; A166-H170 PolarHBondContact O-CD2 3.31Å; A166-H170 PolarHBondContact O-N 3.2Å
167	K	93.7	Very high	94.5	Very high	11 Å²	11	36.6 Å²	36.6	5%	0.048	20%	0.195	C	C	.	.	H	α-helix	trans	-55.4	-47.4	173.2	-170	170.6	179.7	159.2	0	114.3	R165 I169 H170 L171 A193 D196 N198 C200 N204	R165-K167 VanDerWaalsContact C-N 3.28Å; R165-K167 PolarHBondContact O-N 3.35Å; K167-I169 VanDerWaalsContact C-N 3.32Å; K167-H170 PolarHBondContact O-N 3.3Å; K167-L171 WeakPolarHBondContact O-CB 3.45Å; K167-L171 PolarHBondContact O-N 3.29Å; K167-A193 WeakPolarHBondContact CD-O 3.25Å; K167-A193 WeakPolarHBondContact CE-O 3.4Å; K167-A193 HydrophobicContact CG-CB 4.23Å; K167-A193 WeakPolarHBondContact CG-O 3.37Å; K167-D196 HydrophobicContact CB-CB 3.91Å; K167-D196 HydrophobicContact CD-CB 4.25Å; K167-D196 WeakPolarHBondContact CD-O 3.45Å; K167-D196 HydrophobicContact CG-CB 4.25Å; K167-D196 PolarHBondContact N-OD2 3.25Å; K167-D196 PolarHBondContact NZ-O 3.24Å; K167-N198 HydrophobicContact CB-CB 4.32Å; K167-N198 WeakPolarHBondContact CD-O 3.35Å; K167-C200 HydrophobicContact CD-CB 3.72Å; K167-C200 HydrophobicContact CG-CB 3.87Å; K167-N204 PolarHBondContact NZ-OD1 3.43Å
168	E	93.8	Very high	94.5	Very high	3 Å²	3	37 Å²	37	1%	0.014	20%	0.195	C	C	.	.	H	α-helix	trans	-65.4	-38.3	178.9	179	68.1	-161.6	0	0	110.9	R165 A166 L171 R172 C200 T201	R165-E168 HydrophobicContact CB-CB 4.37Å; R165-E168 WeakPolarHBondContact O-CB 3.44Å; R165-E168 PolarHBondContact O-N 3.33Å; A166-E168 PolarHBondContact O-N 2.74Å; E168-L171 PolarHBondContact O-N 3.25Å; E168-R172 WeakPolarHBondContact O-CG 3.38Å; E168-R172 PolarHBondContact O-N 3.19Å; E168-R172 IonicContact OE1-CZ 3.5Å; E168-R172 IonicContact OE1-NE 3.43Å; E168-R172 PolarHBondContact OE1-NE 2.71Å; E168-R172 IonicContact OE1-NH2 3.65Å; E168-R172 PolarHBondContact OE1-NH2 3.49Å; E168-C200 PolarHBondContact OE2-SG 3.12Å; E168-T201 VanDerWaalsContact CD-OG1 3.3Å; E168-T201 WeakPolarHBondContact OE1-CG2 3.26Å; E168-T201 PolarHBondContact OE1-OG1 3.03Å; E168-T201 WeakPolarHBondContact OE2-CB 3.3Å; E168-T201 VanDerWaalsContact OE2-CG2 3.29Å; E168-T201 WeakPolarHBondContact OE2-CG2 3.49Å; E168-T201 PolarHBondContact OE2-N 2.64Å; E168-T201 PolarHBondContact OE2-OG1 3.45Å
169	I	95.9	Very high	94.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.2	-49.8	174.4	-67.1	170.4	0	0	0	110.5	Y134 F153 V156 L157 F163 R165 A166 K167 L171 R172 L173	Y134-I169 HydrophobicContact CD2-CD1 3.77Å; Y134-I169 HydrophobicContact CD2-CG1 3.68Å; Y134-I169 HydrophobicContact CE2-CD1 4.16Å; Y134-I169 HydrophobicContact CE2-CG1 3.62Å; F153-I169 HydrophobicContact CB-CG2 3.62Å; F153-I169 HydrophobicContact CD1-CG1 4.06Å; F153-I169 HydrophobicContact CD1-CG2 4.14Å; F153-I169 HydrophobicContact CG-CG2 3.94Å; V156-I169 HydrophobicContact CB-CD1 3.98Å; V156-I169 HydrophobicContact CG1-CD1 3.49Å; V156-I169 VanDerWaalsContact CG1-CD1 3.49Å; L157-I169 HydrophobicContact CD1-CG2 3.74Å; L157-I169 HydrophobicContact CD2-CB 4.44Å; L157-I169 HydrophobicContact CD2-CD1 4.24Å; L157-I169 HydrophobicContact CD2-CG2 4.27Å; L157-I169 HydrophobicContact CG-CG2 3.92Å; F163-I169 HydrophobicContact CD1-CD1 3.64Å; F163-I169 HydrophobicContact CE1-CD1 3.97Å; R165-I169 WeakPolarHBondContact O-CG1 3.38Å; R165-I169 PolarHBondContact O-N 3.28Å; A166-I169 WeakPolarHBondContact O-CB 3.46Å; A166-I169 PolarHBondContact O-N 3.35Å; K167-I169 VanDerWaalsContact C-N 3.32Å; I169-L171 VanDerWaalsContact C-N 3.31Å; I169-L171 PolarHBondContact O-N 2.88Å; I169-R172 PolarHBondContact O-N 3.16Å; I169-L173 HydrophobicContact CG2-CD1 3.82Å; I169-L173 HydrophobicContact CG2-CG 4.27Å; I169-L173 WeakPolarHBondContact O-CB 3.48Å; I169-L173 WeakPolarHBondContact O-CG 3.27Å; I169-L173 PolarHBondContact O-N 2.95Å
170	H	96.3	Very high	94.3	Very high	27 Å²	27	32.3 Å²	32.3	13%	0.125	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-40.1	177.3	-76.1	-42.1	0	0	0	112.3	L157 A166 K167 L173 G174 H189 A193	L157-H170 WeakPolarHBondContact CD1-CE1 3.3Å; A166-H170 PolarHBondContact O-CD2 3.31Å; A166-H170 PolarHBondContact O-N 3.2Å; K167-H170 PolarHBondContact O-N 3.3Å; H170-L173 PolarHBondContact O-N 3.41Å; H170-G174 PolarHBondContact O-N 3.01Å; H170-H189 AromaticContact CE1-ND1 3.87Å; H170-H189 AromaticContact ND1-CE1 3.79Å; H170-H189 AromaticContact ND1-ND1 3.13Å; H170-H189 PolarHBondContact ND1-ND1 3.38Å; H170-H189 VanDerWaalsContact ND1-ND1 3.13Å; H170-H189 WeakPolarHBondContact O-CB 3.49Å; H170-A193 HydrophobicContact CB-CB 3.91Å
171	L	95.5	Very high	94.2	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-58.2	-50.9	173.8	176	71.4	0	0	0	111.6	K167 E168 I169 G174 L175 F190 C200 T201 L202 I207	K167-L171 WeakPolarHBondContact O-CB 3.45Å; K167-L171 PolarHBondContact O-N 3.29Å; E168-L171 PolarHBondContact O-N 3.25Å; I169-L171 VanDerWaalsContact C-N 3.31Å; I169-L171 PolarHBondContact O-N 2.88Å; L171-G174 PolarHBondContact O-N 3.07Å; L171-L175 HydrophobicContact CG-CD1 4.34Å; L171-L175 WeakPolarHBondContact O-CG 3.28Å; L171-L175 PolarHBondContact O-N 3Å; L171-F190 HydrophobicContact CD1-CD1 4.22Å; L171-F190 HydrophobicContact CD1-CE1 3.91Å; L171-C200 VanDerWaalsContact CD2-SG 3.54Å; L171-T201 WeakPolarHBondContact CD2-OG1 3.4Å; L171-L202 HydrophobicContact CD1-CB 4.33Å; L171-L202 HydrophobicContact CD1-CD1 3.71Å; L171-L202 HydrophobicContact CD1-CG 4.35Å; L171-L202 HydrophobicContact CD2-CB 3.87Å; L171-L202 HydrophobicContact CD2-CD1 3.85Å; L171-L202 HydrophobicContact CD2-CG 3.68Å; L171-L202 HydrophobicContact CG-CD1 4.29Å; L171-I207 HydrophobicContact CD1-CD1 4.34Å; L171-I207 HydrophobicContact CD1-CG1 3.86Å
172	R	96.1	Very high	94.4	Very high	33 Å²	33	32.6 Å²	32.6	13%	0.125	19%	0.185	C	C	.	.	H	α-helix	trans	-64.4	-41	-179.5	-71.3	176.5	-175	-93.8	-7.1	112.1	F141 F153 E168 I169 L175 M176	F141-R172 HydrophobicContact CE2-CB 4.33Å; F141-R172 HydrophobicContact CE2-CG 4.43Å; F153-R172 HydrophobicContact CE2-CB 4.1Å; E168-R172 WeakPolarHBondContact O-CG 3.38Å; E168-R172 PolarHBondContact O-N 3.19Å; E168-R172 IonicContact OE1-CZ 3.5Å; E168-R172 IonicContact OE1-NE 3.43Å; E168-R172 PolarHBondContact OE1-NE 2.71Å; E168-R172 IonicContact OE1-NH2 3.65Å; E168-R172 PolarHBondContact OE1-NH2 3.49Å; I169-R172 PolarHBondContact O-N 3.16Å; R172-L175 PolarHBondContact O-N 3.25Å; R172-M176 HydrophobicContact CB-CE 4.43Å; R172-M176 WeakPolarHBondContact O-CE 3.47Å; R172-M176 VanDerWaalsContact O-CG 3.32Å; R172-M176 WeakPolarHBondContact O-CG 3.37Å; R172-M176 PolarHBondContact O-N 2.95Å
173	L	97.3	Very high	94.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.6	-47.3	172.4	-73.3	172.6	0	0	0	111	I150 F153 Q154 L157 I169 H170 L175 M176 F177 H189	I150-L173 HydrophobicContact CB-CD2 4.13Å; I150-L173 HydrophobicContact CG1-CD2 4.04Å; I150-L173 HydrophobicContact CG2-CD2 3.97Å; F153-L173 HydrophobicContact CB-CD1 4.33Å; F153-L173 HydrophobicContact CB-CD2 3.99Å; F153-L173 HydrophobicContact CB-CG 4.18Å; F153-L173 HydrophobicContact CD2-CD2 4.45Å; Q154-L173 HydrophobicContact CG-CD1 4.44Å; Q154-L173 HydrophobicContact CG-CD2 4.44Å; L157-L173 HydrophobicContact CD1-CD1 4.02Å; I169-L173 HydrophobicContact CG2-CD1 3.82Å; I169-L173 HydrophobicContact CG2-CG 4.27Å; I169-L173 WeakPolarHBondContact O-CB 3.48Å; I169-L173 WeakPolarHBondContact O-CG 3.27Å; I169-L173 PolarHBondContact O-N 2.95Å; H170-L173 PolarHBondContact O-N 3.41Å; L173-L175 VanDerWaalsContact C-N 3.34Å; L173-L175 PolarHBondContact O-N 2.88Å; L173-M176 HydrophobicContact CD2-CE 3.91Å; L173-M176 HydrophobicContact CG-CE 4.48Å; L173-M176 PolarHBondContact O-N 2.82Å; L173-F177 HydrophobicContact CB-CD2 4.35Å; L173-F177 HydrophobicContact CB-CE2 4.33Å; L173-F177 HydrophobicContact CD2-CE2 4.26Å; L173-F177 WeakPolarHBondContact O-CB 3.35Å; L173-F177 WeakPolarHBondContact O-CD2 3.39Å; L173-F177 PolarHBondContact O-N 3.43Å; L173-H189 HydrophobicContact CB-CB 4.29Å
174	G	96.6	Very high	94.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-55	-47.7	176	0	0	0	0	0	112.3	H170 L171 K178 S186	H170-G174 PolarHBondContact O-N 3.01Å; L171-G174 PolarHBondContact O-N 3.07Å; G174-K178 WeakPolarHBondContact O-CB 3.43Å; G174-K178 PolarHBondContact O-N 2.65Å; G174-S186 WeakPolarHBondContact O-CB 3.08Å; G174-S186 PolarHBondContact O-OG 3.04Å
175	L	95.4	Very high	94.9	Very high	46 Å²	46	34.1 Å²	34.1	24%	0.241	18%	0.176	C	C	.	.	H	α-helix	trans	-63.7	-44.6	177.2	-67.9	170.9	0	0	0	112.5	L171 R172 L173 K178 V179 F190	L171-L175 HydrophobicContact CG-CD1 4.34Å; L171-L175 WeakPolarHBondContact O-CG 3.28Å; L171-L175 PolarHBondContact O-N 3Å; R172-L175 PolarHBondContact O-N 3.25Å; L173-L175 VanDerWaalsContact C-N 3.34Å; L173-L175 PolarHBondContact O-N 2.88Å; L175-K178 WeakPolarHBondContact O-CB 3.4Å; L175-K178 PolarHBondContact O-N 2.99Å; L175-V179 WeakPolarHBondContact O-CG2 3.39Å; L175-V179 PolarHBondContact O-N 2.72Å; L175-F190 HydrophobicContact CD2-CE1 4.29Å; L175-F190 HydrophobicContact CD2-CZ 3.93Å; L175-F190 HydrophobicContact CG-CE1 4.18Å; L175-F190 HydrophobicContact CG-CZ 4.13Å
176	M	97	Very high	95	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-65.9	-43	179.2	-70.2	-173.8	-74.6	0	0	112.4	F141 F146 A149 I150 F153 R172 L173 K178 V179 N180	F141-M176 HydrophobicContact CD2-CE 4.25Å; F141-M176 HydrophobicContact CD2-CG 3.9Å; F141-M176 HydrophobicContact CD2-SD 3.65Å; F141-M176 HydrophobicContact CE2-CG 3.77Å; F141-M176 HydrophobicContact CE2-SD 4.16Å; F146-M176 HydrophobicContact CB-CG 4.46Å; F146-M176 HydrophobicContact CB-SD 4.18Å; F146-M176 HydrophobicContact CD1-CB 4.39Å; F146-M176 HydrophobicContact CD1-CG 3.59Å; F146-M176 HydrophobicContact CD1-SD 3.64Å; F146-M176 HydrophobicContact CE1-CG 4.04Å; F146-M176 HydrophobicContact CE1-SD 4.47Å; F146-M176 HydrophobicContact CG-CB 4.46Å; F146-M176 HydrophobicContact CG-CG 4.12Å; F146-M176 HydrophobicContact CG-SD 4.25Å; A149-M176 HydrophobicContact CB-CE 4.24Å; A149-M176 HydrophobicContact CB-SD 3.69Å; I150-M176 HydrophobicContact CD1-CB 4.09Å; I150-M176 HydrophobicContact CG1-CB 4.07Å; I150-M176 HydrophobicContact CG1-CE 3.74Å; I150-M176 HydrophobicContact CG1-SD 3.88Å; F153-M176 HydrophobicContact CD2-CE 3.57Å; F153-M176 HydrophobicContact CE2-CE 3.8Å; R172-M176 HydrophobicContact CB-CE 4.43Å; R172-M176 WeakPolarHBondContact O-CE 3.47Å; R172-M176 VanDerWaalsContact O-CG 3.32Å; R172-M176 WeakPolarHBondContact O-CG 3.37Å; R172-M176 PolarHBondContact O-N 2.95Å; L173-M176 HydrophobicContact CD2-CE 3.91Å; L173-M176 HydrophobicContact CG-CE 4.48Å; L173-M176 PolarHBondContact O-N 2.82Å; M176-K178 VanDerWaalsContact C-N 3.31Å; M176-K178 PolarHBondContact O-N 3.39Å; M176-V179 PolarHBondContact O-N 3.14Å; M176-N180 WeakPolarHBondContact O-CB 3.44Å; M176-N180 PolarHBondContact O-N 3.1Å
177	F	96.6	Very high	95.1	Very high	23 Å²	23	33.3 Å²	33.3	10%	0.101	17%	0.173	C	C	.	.	H	α-helix	trans	-64.4	-36.8	175.7	-77.9	-60.3	0	0	0	112	I150 L173 V179 N180 T181 D182 H189	I150-F177 HydrophobicContact CD1-CD1 4.4Å; I150-F177 HydrophobicContact CD1-CE1 4.13Å; I150-F177 HydrophobicContact CD1-CZ 4.34Å; I150-F177 HydrophobicContact CG2-CE1 4.41Å; I150-F177 HydrophobicContact CG2-CE2 4.34Å; I150-F177 HydrophobicContact CG2-CZ 3.77Å; L173-F177 HydrophobicContact CB-CD2 4.35Å; L173-F177 HydrophobicContact CB-CE2 4.33Å; L173-F177 HydrophobicContact CD2-CE2 4.26Å; L173-F177 WeakPolarHBondContact O-CB 3.35Å; L173-F177 WeakPolarHBondContact O-CD2 3.39Å; L173-F177 PolarHBondContact O-N 3.43Å; F177-V179 PolarHBondContact O-N 2.95Å; F177-N180 CarbonylContact O-C 3.45Å; F177-N180 PolarHBondContact O-N 2.9Å; F177-T181 PolarHBondContact O-N 3.49Å; F177-T181 VanDerWaalsContact O-N 3.14Å; F177-D182 HydrophobicContact CB-CB 4.44Å; F177-D182 HydrophobicContact CD1-CB 4.03Å; F177-D182 PolarHBondContact O-N 3.19Å; F177-H189 AromaticContact CD2-CD2 3.52Å; F177-H189 AromaticContact CE2-CD2 3.46Å; F177-H189 VanDerWaalsContact CE2-CD2 3.46Å; F177-H189 WeakPolarHBondContact CE2-CD2 3.41Å; F177-H189 AromaticContact CE2-NE2 3.51Å
178	K	94	Very high	95.2	Very high	37 Å²	37	38.6 Å²	38.6	16%	0.161	20%	0.196	C	C	.	.	H	α-helix	trans	-58.9	-46.4	172.9	-179.1	173.9	178.4	-178.9	0	111.5	G174 L175 M176 N180 T181 S186 H213 L214	G174-K178 WeakPolarHBondContact O-CB 3.43Å; G174-K178 PolarHBondContact O-N 2.65Å; L175-K178 WeakPolarHBondContact O-CB 3.4Å; L175-K178 PolarHBondContact O-N 2.99Å; M176-K178 VanDerWaalsContact C-N 3.31Å; M176-K178 PolarHBondContact O-N 3.39Å; K178-N180 VanDerWaalsContact C-N 3.32Å; K178-T181 PolarHBondContact O-N 3.22Å; K178-T181 VanDerWaalsContact O-N 3.14Å; K178-S186 WeakPolarHBondContact CB-OG 3.5Å; K178-H213 WeakPolarHBondContact CE-ND1 3.21Å; K178-H213 PolarHBondContact NZ-CE1 3.27Å; K178-H213 VanDerWaalsContact NZ-CG 3.3Å; K178-H213 PolarHBondContact NZ-ND1 3.34Å; K178-L214 HydrophobicContact CB-CD2 4.2Å; K178-L214 HydrophobicContact CD-CD2 3.94Å; K178-L214 HydrophobicContact CD-CG 4.38Å; K178-L214 HydrophobicContact CG-CD2 3.75Å
179	V	93.4	Very high	95.4	Very high	95 Å²	95	39.7 Å²	39.7	58%	0.576	20%	0.201	S	C	*	.	H	α-helix	trans	-66	-36.9	177.7	174.8	0	0	0	0	111.4	F146 L175 M176 F177 T181	F146-V179 HydrophobicContact CD2-CG1 4.36Å; F146-V179 HydrophobicContact CE2-CB 4.31Å; F146-V179 HydrophobicContact CE2-CG1 3.71Å; L175-V179 WeakPolarHBondContact O-CG2 3.39Å; L175-V179 PolarHBondContact O-N 2.72Å; M176-V179 PolarHBondContact O-N 3.14Å; F177-V179 PolarHBondContact O-N 2.95Å; V179-T181 PolarHBondContact O-N 3.2Å
180	N	93.7	Very high	95.4	Very high	52 Å²	52	39.7 Å²	39.7	28%	0.278	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	5.6	174.7	-69	-11.5	0	0	0	113.6	M176 F177 K178 D182	M176-N180 WeakPolarHBondContact O-CB 3.44Å; M176-N180 PolarHBondContact O-N 3.1Å; F177-N180 CarbonylContact O-C 3.45Å; F177-N180 PolarHBondContact O-N 2.9Å; K178-N180 VanDerWaalsContact C-N 3.32Å; N180-D182 PolarHBondContact O-N 3.44Å; N180-D182 VanDerWaalsContact O-N 3.13Å
181	T	92.9	Very high	95.3	Very high	95 Å²	95	42.9 Å²	42.9	58%	0.583	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	62	11.4	-177.9	67.4	0	0	0	0	115.5	F177 K178 V179 Y183	F177-T181 PolarHBondContact O-N 3.49Å; F177-T181 VanDerWaalsContact O-N 3.14Å; K178-T181 PolarHBondContact O-N 3.22Å; K178-T181 VanDerWaalsContact O-N 3.14Å; V179-T181 PolarHBondContact O-N 3.2Å; T181-Y183 VanDerWaalsContact C-N 3.3Å; T181-Y183 PolarHBondContact O-N 3.45Å; T181-Y183 VanDerWaalsContact O-N 3.11Å
182	D	94.3	Very high	95.3	Very high	61 Å²	61	46.8 Å²	46.8	33%	0.326	24%	0.236	S	C	.	.			trans	-85.7	77.2	169.9	-175.2	-6.8	0	0	0	109.2	F177 N180 E184 S185 S186	F177-D182 HydrophobicContact CB-CB 4.44Å; F177-D182 HydrophobicContact CD1-CB 4.03Å; F177-D182 PolarHBondContact O-N 3.19Å; N180-D182 PolarHBondContact O-N 3.44Å; N180-D182 VanDerWaalsContact O-N 3.13Å; D182-E184 VanDerWaalsContact C-N 3.28Å; D182-E184 PolarHBondContact O-N 3.02Å; D182-S185 VanDerWaalsContact CG-CB 3.43Å; D182-S185 WeakPolarHBondContact OD1-CB 3.44Å; D182-S185 PolarHBondContact OD1-N 3.35Å; D182-S185 PolarHBondContact OD1-OG 3.48Å; D182-S185 WeakPolarHBondContact OD2-CB 3.37Å; D182-S185 PolarHBondContact OD2-OG 3.22Å; D182-S186 VanDerWaalsContact O-CB 3.3Å; D182-S186 WeakPolarHBondContact O-CB 3.44Å; D182-S186 PolarHBondContact O-N 2.94Å
183	Y	94.1	Very high	95.1	Very high	59 Å²	59	45.2 Å²	45.2	23%	0.231	23%	0.23	C	C	.	.	H	α-helix	trans	-66.8	-30.1	-175.7	-55.6	-50.6	0	0	0	112.8	T181 S186 L187 L214 T217 Q218	T181-Y183 VanDerWaalsContact C-N 3.3Å; T181-Y183 PolarHBondContact O-N 3.45Å; T181-Y183 VanDerWaalsContact O-N 3.11Å; Y183-S186 WeakPolarHBondContact O-CB 3.29Å; Y183-S186 PolarHBondContact O-N 2.87Å; Y183-L187 WeakPolarHBondContact O-CB 3.43Å; Y183-L187 PolarHBondContact O-N 3.01Å; Y183-L214 HydrophobicContact CD1-CD2 3.45Å; Y183-L214 VanDerWaalsContact CD1-CD2 3.45Å; Y183-L214 HydrophobicContact CE1-CD2 4.26Å; Y183-L214 HydrophobicContact CG-CD2 4.18Å; Y183-T217 HydrophobicContact CE1-CG2 4.38Å; Y183-T217 HydrophobicContact CE2-CG2 4.43Å; Y183-Q218 HydrophobicContact CD2-CG 3.97Å; Y183-Q218 HydrophobicContact CG-CG 4.21Å
184	E	93.9	Very high	94.9	Very high	105 Å²	105	47.8 Å²	47.8	49%	0.491	24%	0.244	S	C	.	.	H	α-helix	trans	-66.6	-49.5	178	-70	-59.6	132	0	0	111.4	D182 S186 L187 K188 Q218	D182-E184 VanDerWaalsContact C-N 3.28Å; D182-E184 PolarHBondContact O-N 3.02Å; E184-S186 VanDerWaalsContact C-N 3.31Å; E184-L187 PolarHBondContact O-N 3.21Å; E184-K188 WeakPolarHBondContact O-CG 3.38Å; E184-K188 PolarHBondContact O-N 3.41Å; E184-Q218 PolarHBondContact OE1-NE2 2.87Å; E184-Q218 VanDerWaalsContact OE1-NE2 3.1Å
185	S	95.5	Very high	94.6	Very high	30 Å²	30	53.6 Å²	53.6	21%	0.21	28%	0.279	C	S	.	.	H	α-helix	trans	-66.1	-37.5	175.4	-61.2	0	0	0	0	111.4	D182 K188 H189	D182-S185 VanDerWaalsContact CG-CB 3.43Å; D182-S185 WeakPolarHBondContact OD1-CB 3.44Å; D182-S185 PolarHBondContact OD1-N 3.35Å; D182-S185 PolarHBondContact OD1-OG 3.48Å; D182-S185 WeakPolarHBondContact OD2-CB 3.37Å; D182-S185 PolarHBondContact OD2-OG 3.22Å; S185-K188 PolarHBondContact O-N 3.05Å; S185-H189 PolarHBondContact O-CD2 3.13Å; S185-H189 VanDerWaalsContact O-CD2 3.25Å; S185-H189 PolarHBondContact O-N 2.77Å; S185-H189 VanDerWaalsContact O-N 3.15Å
186	S	96.2	Very high	94	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.7	-49.8	176.1	-176.2	0	0	0	0	112.3	G174 K178 D182 Y183 E184 K188 H189 F190 L214	G174-S186 WeakPolarHBondContact O-CB 3.08Å; G174-S186 PolarHBondContact O-OG 3.04Å; K178-S186 WeakPolarHBondContact CB-OG 3.5Å; D182-S186 VanDerWaalsContact O-CB 3.3Å; D182-S186 WeakPolarHBondContact O-CB 3.44Å; D182-S186 PolarHBondContact O-N 2.94Å; Y183-S186 WeakPolarHBondContact O-CB 3.29Å; Y183-S186 PolarHBondContact O-N 2.87Å; E184-S186 VanDerWaalsContact C-N 3.31Å; S186-K188 PolarHBondContact O-N 2.91Å; S186-H189 PolarHBondContact O-N 3.35Å; S186-F190 VanDerWaalsContact O-CD2 3.32Å; S186-F190 WeakPolarHBondContact O-CD2 3.34Å; S186-F190 PolarHBondContact O-N 2.86Å; S186-F190 WeakPolarHBondContact OG-CE2 3.48Å; S186-L214 WeakPolarHBondContact OG-CD1 3.34Å
187	L	95.8	Very high	93.2	Very high	19 Å²	19	59 Å²	59	10%	0.099	32%	0.317	C	S	.	.	H	α-helix	trans	-59.9	-45.8	179.8	-179	64.1	0	0	0	111.6	Y183 E184 H189 F190 Q191 I211 L214 Y215	Y183-L187 WeakPolarHBondContact O-CB 3.43Å; Y183-L187 PolarHBondContact O-N 3.01Å; E184-L187 PolarHBondContact O-N 3.21Å; L187-H189 VanDerWaalsContact C-N 3.3Å; L187-H189 PolarHBondContact O-N 2.94Å; L187-F190 PolarHBondContact O-N 3.43Å; L187-Q191 WeakPolarHBondContact O-CG 3.5Å; L187-Q191 PolarHBondContact O-N 3.27Å; L187-I211 HydrophobicContact CD1-CB 4.42Å; L187-I211 HydrophobicContact CD1-CG1 4.21Å; L187-I211 HydrophobicContact CD1-CG2 3.68Å; L187-L214 HydrophobicContact CB-CD1 4.26Å; L187-Y215 HydrophobicContact CD1-CE2 4.34Å; L187-Y215 HydrophobicContact CD2-CE1 4.12Å
188	K	95.9	Very high	92.5	Very high	122 Å²	122	60.9 Å²	60.9	53%	0.53	33%	0.327	S	S	.	.	H	α-helix	trans	-56.4	-45.3	177	-71.9	170.6	-174	170.1	0	111.5	E184 S185 S186 Q191 L192	E184-K188 WeakPolarHBondContact O-CG 3.38Å; E184-K188 PolarHBondContact O-N 3.41Å; S185-K188 PolarHBondContact O-N 3.05Å; S186-K188 PolarHBondContact O-N 2.91Å; K188-Q191 PolarHBondContact O-N 2.86Å; K188-L192 WeakPolarHBondContact O-CG 3.32Å; K188-L192 PolarHBondContact O-N 2.92Å
189	H	96.4	Very high	91.8	Very high	26 Å²	26	63.2 Å²	63.2	12%	0.12	35%	0.346	C	S	.	.	H	α-helix	trans	-69.3	-38.3	-179.7	-81.4	-57.4	0	0	0	113.2	H170 L173 F177 S185 S186 L187 Q191 L192 A193	H170-H189 AromaticContact CE1-ND1 3.87Å; H170-H189 AromaticContact ND1-CE1 3.79Å; H170-H189 AromaticContact ND1-ND1 3.13Å; H170-H189 PolarHBondContact ND1-ND1 3.38Å; H170-H189 VanDerWaalsContact ND1-ND1 3.13Å; H170-H189 WeakPolarHBondContact O-CB 3.49Å; L173-H189 HydrophobicContact CB-CB 4.29Å; F177-H189 AromaticContact CD2-CD2 3.52Å; F177-H189 AromaticContact CE2-CD2 3.46Å; F177-H189 VanDerWaalsContact CE2-CD2 3.46Å; F177-H189 WeakPolarHBondContact CE2-CD2 3.41Å; F177-H189 AromaticContact CE2-NE2 3.51Å; S185-H189 PolarHBondContact O-CD2 3.13Å; S185-H189 VanDerWaalsContact O-CD2 3.25Å; S185-H189 PolarHBondContact O-N 2.77Å; S185-H189 VanDerWaalsContact O-N 3.15Å; S186-H189 PolarHBondContact O-N 3.35Å; L187-H189 VanDerWaalsContact C-N 3.3Å; L187-H189 PolarHBondContact O-N 2.94Å; H189-Q191 VanDerWaalsContact C-N 3.33Å; H189-Q191 PolarHBondContact O-N 3.22Å; H189-L192 PolarHBondContact O-N 3.15Å; H189-A193 PolarHBondContact O-N 3.44Å
190	F	96.2	Very high	91.4	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-64.7	-37.4	172.9	-69.5	-47.8	0	0	0	112.6	L171 L175 S186 L187 A193 L194 I207 H210 I211 L214	L171-F190 HydrophobicContact CD1-CD1 4.22Å; L171-F190 HydrophobicContact CD1-CE1 3.91Å; L175-F190 HydrophobicContact CD2-CE1 4.29Å; L175-F190 HydrophobicContact CD2-CZ 3.93Å; L175-F190 HydrophobicContact CG-CE1 4.18Å; L175-F190 HydrophobicContact CG-CZ 4.13Å; S186-F190 VanDerWaalsContact O-CD2 3.32Å; S186-F190 WeakPolarHBondContact O-CD2 3.34Å; S186-F190 PolarHBondContact O-N 2.86Å; S186-F190 WeakPolarHBondContact OG-CE2 3.48Å; L187-F190 PolarHBondContact O-N 3.43Å; F190-A193 PolarHBondContact O-N 3.24Å; F190-L194 WeakPolarHBondContact O-CG 3.48Å; F190-L194 PolarHBondContact O-N 2.73Å; F190-L194 VanDerWaalsContact O-N 3.16Å; F190-I207 HydrophobicContact CB-CG2 4.01Å; F190-I207 HydrophobicContact CD1-CG2 4.09Å; F190-I207 HydrophobicContact CG-CG2 4.37Å; F190-H210 HydrophobicContact CD2-CB 4.45Å; F190-H210 HydrophobicContact CE1-CB 4.32Å; F190-H210 HydrophobicContact CE2-CB 3.97Å; F190-H210 HydrophobicContact CZ-CB 3.9Å; F190-I211 HydrophobicContact CB-CD1 3.8Å; F190-I211 HydrophobicContact CB-CG1 3.57Å; F190-I211 HydrophobicContact CD2-CG1 4.24Å; F190-I211 HydrophobicContact CG-CG1 4.2Å; F190-L214 HydrophobicContact CD2-CD1 3.64Å; F190-L214 HydrophobicContact CE2-CD1 3.76Å
191	Q	95.1	Very high	91	Very high	95 Å²	95	60.7 Å²	60.7	44%	0.444	33%	0.334	S	S	.	.	H	α-helix	trans	-63.3	-45.8	173.7	-71.8	172.7	-9	0	0	111.6	L187 K188 H189 A193 L194 V195	L187-Q191 WeakPolarHBondContact O-CG 3.5Å; L187-Q191 PolarHBondContact O-N 3.27Å; K188-Q191 PolarHBondContact O-N 2.86Å; H189-Q191 VanDerWaalsContact C-N 3.33Å; H189-Q191 PolarHBondContact O-N 3.22Å; Q191-A193 VanDerWaalsContact C-N 3.29Å; Q191-A193 PolarHBondContact O-N 2.99Å; Q191-L194 PolarHBondContact O-N 2.92Å; Q191-L194 VanDerWaalsContact O-N 3.08Å; Q191-V195 PolarHBondContact O-N 2.9Å
192	L	94.3	Very high	90.7	Very high	84 Å²	84	58 Å²	58	44%	0.44	32%	0.316	S	S	.	.	H	α-helix	trans	-60.2	-38.7	175.3	-70.3	171.8	0	0	0	112.1	K188 H189 L194 V195 D196	K188-L192 WeakPolarHBondContact O-CG 3.32Å; K188-L192 PolarHBondContact O-N 2.92Å; H189-L192 PolarHBondContact O-N 3.15Å; L192-L194 VanDerWaalsContact C-N 3.27Å; L192-L194 PolarHBondContact O-N 3.43Å; L192-V195 PolarHBondContact O-N 3.31Å; L192-D196 PolarHBondContact O-N 3.15Å
193	A	93.3	Very high	90.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63.9	-29.8	175.3	0	0	0	0	0	113.1	K167 H170 H189 F190 Q191 I207	K167-A193 WeakPolarHBondContact CD-O 3.25Å; K167-A193 WeakPolarHBondContact CE-O 3.4Å; K167-A193 HydrophobicContact CG-CB 4.23Å; K167-A193 WeakPolarHBondContact CG-O 3.37Å; H170-A193 HydrophobicContact CB-CB 3.91Å; H189-A193 PolarHBondContact O-N 3.44Å; F190-A193 PolarHBondContact O-N 3.24Å; Q191-A193 VanDerWaalsContact C-N 3.29Å; Q191-A193 PolarHBondContact O-N 2.99Å; A193-I207 HydrophobicContact CB-CD1 4.28Å
194	L	91.7	Very high	90.3	Very high	54 Å²	54	59 Å²	59	28%	0.283	33%	0.329	S	S	.	.	H	α-helix	trans	-77.4	-23.3	176.8	-71.8	174.6	0	0	0	113.5	F190 Q191 L192 N204 I207 Q208 I211	F190-L194 WeakPolarHBondContact O-CG 3.48Å; F190-L194 PolarHBondContact O-N 2.73Å; F190-L194 VanDerWaalsContact O-N 3.16Å; Q191-L194 PolarHBondContact O-N 2.92Å; Q191-L194 VanDerWaalsContact O-N 3.08Å; L192-L194 VanDerWaalsContact C-N 3.27Å; L192-L194 PolarHBondContact O-N 3.43Å; L194-N204 HydrophobicContact CD2-CB 3.93Å; L194-I207 HydrophobicContact CD1-CG2 4.22Å; L194-I207 HydrophobicContact CD2-CB 3.97Å; L194-I207 HydrophobicContact CD2-CD1 4.33Å; L194-I207 HydrophobicContact CD2-CG2 3.87Å; L194-I207 HydrophobicContact CG-CB 4.45Å; L194-I207 HydrophobicContact CG-CG2 3.78Å; L194-Q208 HydrophobicContact CD1-CG 4.16Å; L194-I211 HydrophobicContact CD1-CD1 3.67Å
195	V	90.6	Very high	90.2	Very high	121 Å²	121	57.1 Å²	57.1	73%	0.733	33%	0.332	S	S	*	.	H	α-helix	trans	-73.3	-32.4	176.7	176.6	0	0	0	0	111.2	Q191 L192	Q191-V195 PolarHBondContact O-N 2.9Å; L192-V195 PolarHBondContact O-N 3.31Å
196	D	83.9	Confident	90.1	Very high	36 Å²	36	60 Å²	60	19%	0.193	34%	0.342	C	S	.	.			trans	-79.9	132.9	-179.2	-168.1	-10.7	0	0	0	111.7	K167 L192 N198	K167-D196 HydrophobicContact CB-CB 3.91Å; K167-D196 HydrophobicContact CD-CB 4.25Å; K167-D196 WeakPolarHBondContact CD-O 3.45Å; K167-D196 HydrophobicContact CG-CB 4.25Å; K167-D196 PolarHBondContact N-OD2 3.25Å; K167-D196 PolarHBondContact NZ-O 3.24Å; L192-D196 PolarHBondContact O-N 3.15Å; D196-N198 VanDerWaalsContact CG-ND2 3.31Å; D196-N198 WeakPolarHBondContact OD1-CB 3.5Å; D196-N198 PolarHBondContact OD1-N 3.4Å; D196-N198 PolarHBondContact OD1-ND2 3.23Å; D196-N198 PolarHBondContact OD2-ND2 2.99Å
197	C	79.6	Confident	90	Very high	126 Å²	126	60 Å²	60	85%	0.851	34%	0.342	S	S	*	.			trans	-86.4	-6.8	178.2	-62.8	0	0	0	0	113.3
198	N	82.8	Confident	89.9	Confident	61 Å²	61	64.7 Å²	64.7	33%	0.326	36%	0.364	S	S	.	.	S	Bend	trans	-59.2	152.5	-178.6	-75	-43.3	0	0	0	112.3	K167 D196	K167-N198 HydrophobicContact CB-CB 4.32Å; K167-N198 WeakPolarHBondContact CD-O 3.35Å; D196-N198 VanDerWaalsContact CG-ND2 3.31Å; D196-N198 WeakPolarHBondContact OD1-CB 3.5Å; D196-N198 PolarHBondContact OD1-N 3.4Å; D196-N198 PolarHBondContact OD1-ND2 3.23Å; D196-N198 PolarHBondContact OD2-ND2 2.99Å
199	P	78.5	Confident	89.9	Confident	86 Å²	86	65.3 Å²	65.3	56%	0.558	37%	0.367	S	S	*	.			trans	-63.9	136.3	171.7	-21.4	33.2	0	0	0	111.8	F59	F59-P199 HydrophobicContact CE1-CB 3.96Å; F59-P199 HydrophobicContact CZ-CB 4.44Å
200	C	84.4	Confident	89.8	Confident	24 Å²	24	66 Å²	66	16%	0.162	37%	0.37	C	S	.	.			trans	-133.6	160.4	-178	-169.3	0	0	0	0	109.9	K167 E168 L171 L202	K167-C200 HydrophobicContact CD-CB 3.72Å; K167-C200 HydrophobicContact CG-CB 3.87Å; E168-C200 PolarHBondContact OE2-SG 3.12Å; L171-C200 VanDerWaalsContact CD2-SG 3.54Å; C200-L202 VanDerWaalsContact C-N 3.28Å; C200-L202 PolarHBondContact O-N 3.47Å
201	T	85.5	Confident	89.7	Confident	70 Å²	70	67.1 Å²	67.1	43%	0.429	38%	0.376	S	S	.	.	S	Bend	trans	-63.4	-33.4	176.1	48.7	0	0	0	0	113.2	E168 L171	E168-T201 VanDerWaalsContact CD-OG1 3.3Å; E168-T201 WeakPolarHBondContact OE1-CG2 3.26Å; E168-T201 PolarHBondContact OE1-OG1 3.03Å; E168-T201 WeakPolarHBondContact OE2-CB 3.3Å; E168-T201 VanDerWaalsContact OE2-CG2 3.29Å; E168-T201 WeakPolarHBondContact OE2-CG2 3.49Å; E168-T201 PolarHBondContact OE2-N 2.64Å; E168-T201 PolarHBondContact OE2-OG1 3.45Å; L171-T201 WeakPolarHBondContact CD2-OG1 3.4Å
202	L	86.8	Confident	89.7	Confident	40 Å²	40	64.8 Å²	64.8	21%	0.209	37%	0.373	C	S	.	.	S	Bend	trans	-105.3	143.1	175.4	-62.3	-174.5	0	0	0	111.7	L171 C200 E206 I207	L171-L202 HydrophobicContact CD1-CB 4.33Å; L171-L202 HydrophobicContact CD1-CD1 3.71Å; L171-L202 HydrophobicContact CD1-CG 4.35Å; L171-L202 HydrophobicContact CD2-CB 3.87Å; L171-L202 HydrophobicContact CD2-CD1 3.85Å; L171-L202 HydrophobicContact CD2-CG 3.68Å; L171-L202 HydrophobicContact CG-CD1 4.29Å; C200-L202 VanDerWaalsContact C-N 3.28Å; C200-L202 PolarHBondContact O-N 3.47Å; L202-E206 HydrophobicContact CB-CB 4.12Å; L202-E206 HydrophobicContact CD1-CB 4.49Å; L202-E206 HydrophobicContact CD2-CB 4.47Å; L202-I207 HydrophobicContact CB-CG1 4.28Å
203	S	89.4	Confident	89.6	Confident	58 Å²	58	64.1 Å²	64.1	41%	0.406	37%	0.367	S	S	.	.			trans	-68.6	158.1	171.4	68.2	0	0	0	0	111.5	A205 E206 I207	S203-A205 PolarHBondContact O-N 3.49Å; S203-E206 VanDerWaalsContact CB-OE2 3.3Å; S203-E206 WeakPolarHBondContact CB-OE2 3.5Å; S203-E206 PolarHBondContact N-OE2 2.7Å; S203-E206 PolarHBondContact O-N 2.96Å; S203-E206 VanDerWaalsContact O-N 3.11Å; S203-E206 WeakPolarHBondContact OG-CG 3.33Å; S203-E206 PolarHBondContact OG-N 3.29Å; S203-E206 PolarHBondContact OG-OE2 2.75Å; S203-I207 WeakPolarHBondContact O-CG1 3.48Å; S203-I207 PolarHBondContact O-N 2.96Å
204	N	89.6	Confident	89.6	Confident	81 Å²	81	64.2 Å²	64.2	43%	0.433	37%	0.368	S	S	.	.	H	α-helix	trans	-58.7	-32.6	176.4	-69.1	-12.8	0	0	0	112.1	K167 L194 I207 Q208	K167-N204 PolarHBondContact NZ-OD1 3.43Å; L194-N204 HydrophobicContact CD2-CB 3.93Å; N204-I207 PolarHBondContact O-N 3.34Å; N204-Q208 VanDerWaalsContact O-CG 3.31Å; N204-Q208 WeakPolarHBondContact O-CG 3.33Å; N204-Q208 PolarHBondContact O-N 3.49Å
205	A	92.4	Very high	89.6	Confident	67 Å²	67	67.1 Å²	67.1	55%	0.554	38%	0.376	S	S	*	.	H	α-helix	trans	-66.8	-40.9	176.6	0	0	0	0	0	112.2	S203 Q208 F209	S203-A205 PolarHBondContact O-N 3.49Å; A205-Q208 PolarHBondContact O-N 3.09Å; A205-F209 PolarHBondContact O-N 3.17Å
206	E	93.7	Very high	89.5	Confident	89 Å²	89	68 Å²	68	42%	0.416	37%	0.372	S	S	.	.	H	α-helix	trans	-66.8	-38.1	175.5	-71.7	162.5	127.4	0	0	111.8	L202 S203 F209 H210	L202-E206 HydrophobicContact CB-CB 4.12Å; L202-E206 HydrophobicContact CD1-CB 4.49Å; L202-E206 HydrophobicContact CD2-CB 4.47Å; S203-E206 VanDerWaalsContact CB-OE2 3.3Å; S203-E206 WeakPolarHBondContact CB-OE2 3.5Å; S203-E206 PolarHBondContact N-OE2 2.7Å; S203-E206 PolarHBondContact O-N 2.96Å; S203-E206 VanDerWaalsContact O-N 3.11Å; S203-E206 WeakPolarHBondContact OG-CG 3.33Å; S203-E206 PolarHBondContact OG-N 3.29Å; S203-E206 PolarHBondContact OG-OE2 2.75Å; E206-F209 WeakPolarHBondContact O-CB 3.5Å; E206-F209 PolarHBondContact O-N 3.44Å; E206-H210 PolarHBondContact O-CD2 3.05Å; E206-H210 VanDerWaalsContact O-CD2 3.25Å; E206-H210 PolarHBondContact O-N 3.13Å
207	I	93.8	Very high	89.7	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-62.8	-44	173.5	-61.9	170.4	0	0	0	110.4	L171 F190 A193 L194 L202 S203 N204 F209 H210 I211	L171-I207 HydrophobicContact CD1-CD1 4.34Å; L171-I207 HydrophobicContact CD1-CG1 3.86Å; F190-I207 HydrophobicContact CB-CG2 4.01Å; F190-I207 HydrophobicContact CD1-CG2 4.09Å; F190-I207 HydrophobicContact CG-CG2 4.37Å; A193-I207 HydrophobicContact CB-CD1 4.28Å; L194-I207 HydrophobicContact CD1-CG2 4.22Å; L194-I207 HydrophobicContact CD2-CB 3.97Å; L194-I207 HydrophobicContact CD2-CD1 4.33Å; L194-I207 HydrophobicContact CD2-CG2 3.87Å; L194-I207 HydrophobicContact CG-CB 4.45Å; L194-I207 HydrophobicContact CG-CG2 3.78Å; L202-I207 HydrophobicContact CB-CG1 4.28Å; S203-I207 WeakPolarHBondContact O-CG1 3.48Å; S203-I207 PolarHBondContact O-N 2.96Å; N204-I207 PolarHBondContact O-N 3.34Å; I207-F209 VanDerWaalsContact C-N 3.31Å; I207-F209 PolarHBondContact O-N 2.95Å; I207-H210 WeakPolarHBondContact O-CB 3.09Å; I207-H210 PolarHBondContact O-N 3.05Å; I207-I211 HydrophobicContact CG2-CD1 4.39Å; I207-I211 WeakPolarHBondContact O-CG1 3.46Å; I207-I211 PolarHBondContact O-N 3.49Å
208	Q	94.1	Very high	89.6	Confident	118 Å²	118	64.5 Å²	64.5	55%	0.551	35%	0.345	S	S	*	.	H	α-helix	trans	-62	-38	175.4	-75.5	175.1	-21.9	0	0	112.4	L194 N204 A205 H210 I211 A212	L194-Q208 HydrophobicContact CD1-CG 4.16Å; N204-Q208 VanDerWaalsContact O-CG 3.31Å; N204-Q208 WeakPolarHBondContact O-CG 3.33Å; N204-Q208 PolarHBondContact O-N 3.49Å; A205-Q208 PolarHBondContact O-N 3.09Å; Q208-H210 VanDerWaalsContact C-N 3.34Å; Q208-H210 PolarHBondContact O-N 3.24Å; Q208-I211 PolarHBondContact O-N 3.17Å; Q208-A212 PolarHBondContact O-N 3.05Å
209	F	95.5	Very high	89.1	Confident	136 Å²	136	66.1 Å²	66.1	60%	0.596	36%	0.357	S	S	*	.	H	α-helix	trans	-60.7	-42.9	173.2	176.5	-96.6	0	0	0	111.8	A205 E206 I207 I211 A212 H213	A205-F209 PolarHBondContact O-N 3.17Å; E206-F209 WeakPolarHBondContact O-CB 3.5Å; E206-F209 PolarHBondContact O-N 3.44Å; I207-F209 VanDerWaalsContact C-N 3.31Å; I207-F209 PolarHBondContact O-N 2.95Å; F209-I211 VanDerWaalsContact C-N 3.33Å; F209-I211 PolarHBondContact O-N 3.23Å; F209-A212 PolarHBondContact O-N 3.32Å; F209-H213 WeakPolarHBondContact O-CB 3.36Å; F209-H213 PolarHBondContact O-N 3.25Å
210	H	94.8	Very high	88.3	Confident	41 Å²	41	63.5 Å²	63.5	19%	0.19	35%	0.346	C	S	.	.	H	α-helix	trans	-62.7	-38.8	175	-75.2	-55.9	0	0	0	113	F190 E206 I207 Q208 H213 L214	F190-H210 HydrophobicContact CD2-CB 4.45Å; F190-H210 HydrophobicContact CE1-CB 4.32Å; F190-H210 HydrophobicContact CE2-CB 3.97Å; F190-H210 HydrophobicContact CZ-CB 3.9Å; E206-H210 PolarHBondContact O-CD2 3.05Å; E206-H210 VanDerWaalsContact O-CD2 3.25Å; E206-H210 PolarHBondContact O-N 3.13Å; I207-H210 WeakPolarHBondContact O-CB 3.09Å; I207-H210 PolarHBondContact O-N 3.05Å; Q208-H210 VanDerWaalsContact C-N 3.34Å; Q208-H210 PolarHBondContact O-N 3.24Å; H210-H213 PolarHBondContact O-N 3.43Å; H210-L214 WeakPolarHBondContact O-CG 3.1Å; H210-L214 PolarHBondContact O-N 3.45Å
211	I	94.5	Very high	87.1	Confident	22 Å²	22	66.9 Å²	66.9	11%	0.113	37%	0.368	C	S	.	.	H	α-helix	trans	-63.3	-46.7	174	-68.3	172.3	0	0	0	110.9	L187 F190 L194 I207 Q208 F209 H213 L214 Y215	L187-I211 HydrophobicContact CD1-CB 4.42Å; L187-I211 HydrophobicContact CD1-CG1 4.21Å; L187-I211 HydrophobicContact CD1-CG2 3.68Å; F190-I211 HydrophobicContact CB-CD1 3.8Å; F190-I211 HydrophobicContact CB-CG1 3.57Å; F190-I211 HydrophobicContact CD2-CG1 4.24Å; F190-I211 HydrophobicContact CG-CG1 4.2Å; L194-I211 HydrophobicContact CD1-CD1 3.67Å; I207-I211 HydrophobicContact CG2-CD1 4.39Å; I207-I211 WeakPolarHBondContact O-CG1 3.46Å; I207-I211 PolarHBondContact O-N 3.49Å; Q208-I211 PolarHBondContact O-N 3.17Å; F209-I211 VanDerWaalsContact C-N 3.33Å; F209-I211 PolarHBondContact O-N 3.23Å; I211-H213 VanDerWaalsContact C-N 3.33Å; I211-H213 PolarHBondContact O-N 3.44Å; I211-L214 WeakPolarHBondContact O-CB 3.38Å; I211-L214 PolarHBondContact O-N 2.96Å; I211-L214 VanDerWaalsContact O-N 3.13Å; I211-Y215 HydrophobicContact CG2-CD2 3.99Å; I211-Y215 HydrophobicContact CG2-CE2 3.56Å; I211-Y215 WeakPolarHBondContact O-CD2 3.42Å; I211-Y215 PolarHBondContact O-N 3.37Å
212	A	93.9	Very high	85.8	Confident	46 Å²	46	70.3 Å²	70.3	38%	0.38	38%	0.383	S	S	.	.	H	α-helix	trans	-58.4	-46.4	177.5	0	0	0	0	0	111.4	Q208 F209 L214 Y215 E216	Q208-A212 PolarHBondContact O-N 3.05Å; F209-A212 PolarHBondContact O-N 3.32Å; A212-L214 VanDerWaalsContact C-N 3.29Å; A212-L214 PolarHBondContact O-N 3.35Å; A212-Y215 PolarHBondContact O-N 3.28Å; A212-Y215 VanDerWaalsContact O-N 3.17Å; A212-E216 PolarHBondContact O-N 3.16Å; A212-E216 VanDerWaalsContact O-N 3.09Å
213	H	93.3	Very high	84.2	Confident	71 Å²	71	73.8 Å²	73.8	33%	0.329	41%	0.406	S	S	.	.	H	α-helix	trans	-60.4	-36	176	-179.3	-65.5	0	0	0	112.8	K178 F209 H210 I211 E216 T217	K178-H213 WeakPolarHBondContact CE-ND1 3.21Å; K178-H213 PolarHBondContact NZ-CE1 3.27Å; K178-H213 VanDerWaalsContact NZ-CG 3.3Å; K178-H213 PolarHBondContact NZ-ND1 3.34Å; F209-H213 WeakPolarHBondContact O-CB 3.36Å; F209-H213 PolarHBondContact O-N 3.25Å; H210-H213 PolarHBondContact O-N 3.43Å; I211-H213 VanDerWaalsContact C-N 3.33Å; I211-H213 PolarHBondContact O-N 3.44Å; H213-E216 PolarHBondContact O-N 3.06Å; H213-T217 PolarHBondContact CE1-OG1 3.29Å; H213-T217 VanDerWaalsContact CE1-OG1 3.25Å; H213-T217 PolarHBondContact ND1-OG1 3.5Å; H213-T217 WeakPolarHBondContact O-CB 3.33Å; H213-T217 PolarHBondContact O-N 3.34Å; H213-T217 PolarHBondContact O-OG1 3.24Å
214	L	92.3	Very high	82.2	Confident	2 Å²	2	81.1 Å²	81.1	1%	0.01	44%	0.439	C	S	.	.	H	α-helix	trans	-61.3	-46	175.8	-77.6	171.6	0	0	0	111.1	K178 Y183 S186 L187 F190 H210 I211 A212 E216 T217 Q218	K178-L214 HydrophobicContact CB-CD2 4.2Å; K178-L214 HydrophobicContact CD-CD2 3.94Å; K178-L214 HydrophobicContact CD-CG 4.38Å; K178-L214 HydrophobicContact CG-CD2 3.75Å; Y183-L214 HydrophobicContact CD1-CD2 3.45Å; Y183-L214 VanDerWaalsContact CD1-CD2 3.45Å; Y183-L214 HydrophobicContact CE1-CD2 4.26Å; Y183-L214 HydrophobicContact CG-CD2 4.18Å; S186-L214 WeakPolarHBondContact OG-CD1 3.34Å; L187-L214 HydrophobicContact CB-CD1 4.26Å; F190-L214 HydrophobicContact CD2-CD1 3.64Å; F190-L214 HydrophobicContact CE2-CD1 3.76Å; H210-L214 WeakPolarHBondContact O-CG 3.1Å; H210-L214 PolarHBondContact O-N 3.45Å; I211-L214 WeakPolarHBondContact O-CB 3.38Å; I211-L214 PolarHBondContact O-N 2.96Å; I211-L214 VanDerWaalsContact O-N 3.13Å; A212-L214 VanDerWaalsContact C-N 3.29Å; A212-L214 PolarHBondContact O-N 3.35Å; L214-E216 PolarHBondContact O-N 3.36Å; L214-T217 PolarHBondContact O-N 2.97Å; L214-Q218 PolarHBondContact O-N 2.94Å
215	Y	91.6	Very high	81.9	Confident	114 Å²	114	81.1 Å²	81.1	45%	0.447	44%	0.439	S	S	.	.	H	α-helix	trans	-62.2	-43.2	177.9	-72.4	-58.2	0	0	0	112.2	L187 I211 A212 T217 Q218 V219	L187-Y215 HydrophobicContact CD1-CE2 4.34Å; L187-Y215 HydrophobicContact CD2-CE1 4.12Å; I211-Y215 HydrophobicContact CG2-CD2 3.99Å; I211-Y215 HydrophobicContact CG2-CE2 3.56Å; I211-Y215 WeakPolarHBondContact O-CD2 3.42Å; I211-Y215 PolarHBondContact O-N 3.37Å; A212-Y215 PolarHBondContact O-N 3.28Å; A212-Y215 VanDerWaalsContact O-N 3.17Å; Y215-T217 VanDerWaalsContact C-N 3.3Å; Y215-T217 PolarHBondContact O-N 3.39Å; Y215-Q218 PolarHBondContact O-N 2.89Å; Y215-V219 WeakPolarHBondContact O-CB 3.43Å; Y215-V219 VanDerWaalsContact O-CG2 3.26Å; Y215-V219 WeakPolarHBondContact O-CG2 3.36Å; Y215-V219 PolarHBondContact O-N 2.89Å
216	E	89.8	Confident	81.3	Confident	140 Å²	140	81.8 Å²	81.8	65%	0.654	43%	0.433	S	S	*	.	H	α-helix	trans	-59.9	-41.8	175.5	-70.5	178.4	173.9	0	0	112	A212 H213 L214 V219 G220	A212-E216 PolarHBondContact O-N 3.16Å; A212-E216 VanDerWaalsContact O-N 3.09Å; H213-E216 PolarHBondContact O-N 3.06Å; L214-E216 PolarHBondContact O-N 3.36Å; E216-V219 PolarHBondContact O-N 3.08Å; E216-G220 PolarHBondContact O-N 2.92Å
217	T	86.5	Confident	80.6	Confident	45 Å²	45	81.4 Å²	81.4	28%	0.276	43%	0.434	S	S	.	.	H	α-helix	trans	-68.1	-39.5	-179.7	-49.6	0	0	0	0	111.6	Y183 H213 L214 Y215 C221	Y183-T217 HydrophobicContact CE1-CG2 4.38Å; Y183-T217 HydrophobicContact CE2-CG2 4.43Å; H213-T217 PolarHBondContact CE1-OG1 3.29Å; H213-T217 VanDerWaalsContact CE1-OG1 3.25Å; H213-T217 PolarHBondContact ND1-OG1 3.5Å; H213-T217 WeakPolarHBondContact O-CB 3.33Å; H213-T217 PolarHBondContact O-N 3.34Å; H213-T217 PolarHBondContact O-OG1 3.24Å; L214-T217 PolarHBondContact O-N 2.97Å; Y215-T217 VanDerWaalsContact C-N 3.3Å; Y215-T217 PolarHBondContact O-N 3.39Å; T217-C221 PolarHBondContact O-N 3.32Å
218	Q	78	Confident	79.9	Confident	43 Å²	43	86.2 Å²	86.2	20%	0.201	46%	0.46	C	S	.	.	H	α-helix	trans	-66.8	-43.5	176.2	-76.5	-177.5	-38.1	0	0	111.7	Y183 E184 L214 Y215 C221 I222	Y183-Q218 HydrophobicContact CD2-CG 3.97Å; Y183-Q218 HydrophobicContact CG-CG 4.21Å; E184-Q218 PolarHBondContact OE1-NE2 2.87Å; E184-Q218 VanDerWaalsContact OE1-NE2 3.1Å; L214-Q218 PolarHBondContact O-N 2.94Å; Y215-Q218 PolarHBondContact O-N 2.89Å; Q218-C221 PolarHBondContact O-N 2.97Å; Q218-I222 WeakPolarHBondContact O-CG1 3.31Å; Q218-I222 PolarHBondContact O-N 3.11Å
219	V	73.8	Confident	79	Confident	95 Å²	95	84.3 Å²	84.3	58%	0.576	45%	0.454	S	S	*	.	H	α-helix	trans	-63.3	-43.5	178.3	172.5	0	0	0	0	110.9	Y215 E216 C221 I222 T223	Y215-V219 WeakPolarHBondContact O-CB 3.43Å; Y215-V219 VanDerWaalsContact O-CG2 3.26Å; Y215-V219 WeakPolarHBondContact O-CG2 3.36Å; Y215-V219 PolarHBondContact O-N 2.89Å; E216-V219 PolarHBondContact O-N 3.08Å; V219-C221 VanDerWaalsContact C-N 3.26Å; V219-C221 PolarHBondContact O-N 3.29Å; V219-I222 PolarHBondContact O-N 3.2Å; V219-T223 PolarHBondContact O-N 3.03Å; V219-T223 PolarHBondContact O-OG1 2.86Å
220	G	61.4	Low	77.9	Confident	32 Å²	32	80.8 Å²	80.8	33%	0.33	45%	0.445	S	S	.	.	H	α-helix	trans	-65.6	-23.4	178.8	0	0	0	0	0	115	E216	E216-G220 PolarHBondContact O-N 2.92Å
221	C	57.8	Low	76.7	Confident	94 Å²	94	83.6 Å²	83.6	64%	0.635	46%	0.463	S	S	*	.	H	α-helix	trans	-81.8	-20.6	176.7	-148.3	0	0	0	0	112.7	T217 Q218 V219	T217-C221 PolarHBondContact O-N 3.32Å; Q218-C221 PolarHBondContact O-N 2.97Å; V219-C221 VanDerWaalsContact C-N 3.26Å; V219-C221 PolarHBondContact O-N 3.29Å
222	I	59.3	Low	75.3	Confident	143 Å²	143	88.4 Å²	88.4	73%	0.733	49%	0.49	S	S	*	.	H	α-helix	trans	-86.3	-23.5	179	-64	165.7	0	0	0	111.2	Q218 V219	Q218-I222 WeakPolarHBondContact O-CG1 3.31Å; Q218-I222 PolarHBondContact O-N 3.11Å; V219-I222 PolarHBondContact O-N 3.2Å
223	T	52.9	Low	73.7	Confident	113 Å²	113	91.9 Å²	91.9	69%	0.693	50%	0.499	S	S	*	.			trans	-92.9	0.5	-178.5	23.9	0	0	0	0	115.3	V219	V219-T223 PolarHBondContact O-N 3.03Å; V219-T223 PolarHBondContact O-OG1 2.86Å
224	L	48.2	Very low	72	Confident	211 Å²	211	93.8 Å²	93.8	100%	1.105	52%	0.515	S	S	*	.			trans	-110.2	0	174.4	-73.8	170.2	0	0	0	110.9

Retrieved 224 of 224 residues in 294.7 ms (Link to these results)

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