A0A3Q0KKT8_SCHMA Loading...

Tumor necrosis factor induced protein, putative

AlphaFold DB , UniProt , Accession A0A3Q0KKT8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 236 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.7	Very low	34.6	Very low	242 Å²	242	152.2 Å²	152.2	100%	1.192	82%	0.821	S	S	*	*				0	105.1	0	-141.4	170.3	-175.8	0	0	105.8
2	V	36.1	Very low	34.4	Very low	146 Å²	146	152.4 Å²	152.4	89%	0.885	82%	0.821	S	S	*	*			trans	-90	112.9	-170.6	178.5	0	0	0	0	108
3	T	29.7	Very low	34.2	Very low	130 Å²	130	148.5 Å²	148.5	80%	0.798	81%	0.813	S	S	*	*			trans	-75.1	133	177	-34.6	0	0	0	0	109.3
4	P	31.1	Very low	33.9	Very low	117 Å²	117	145.4 Å²	145.4	76%	0.76	81%	0.805	S	S	*	*			trans	-72.9	148	-171.6	-15.8	30.3	0	0	0	114.1	G6	P4-G6 PolarHBondContact O-N 3.11Å; P4-G6 VanDerWaalsContact O-N 3.15Å
5	I	38.8	Very low	33.7	Very low	165 Å²	165	145.7 Å²	145.7	85%	0.846	81%	0.805	S	S	*	*			trans	-47.8	109.8	169.9	-63.7	160.6	0	0	0	109.9	K7	I5-K7 PolarHBondContact O-N 2.63Å; I5-K7 VanDerWaalsContact O-N 3.07Å
6	G	31.6	Very low	33.8	Very low	60 Å²	60	145.9 Å²	145.9	62%	0.619	80%	0.804	S	S	*	*			trans	-63.8	105.9	175.3	0	0	0	0	0	110.4	P4 Y8	P4-G6 PolarHBondContact O-N 3.11Å; P4-G6 VanDerWaalsContact O-N 3.15Å; G6-Y8 PolarHBondContact O-N 3.27Å
7	K	29.1	Very low	33.7	Very low	193 Å²	193	140.5 Å²	140.5	84%	0.839	79%	0.79	S	S	*	*			trans	-63.5	99.7	166.3	-63.8	177.7	178.1	180	0	107.7	I5 T9	I5-K7 PolarHBondContact O-N 2.63Å; I5-K7 VanDerWaalsContact O-N 3.07Å; K7-T9 PolarHBondContact O-N 2.85Å; K7-T9 VanDerWaalsContact O-N 3.1Å
8	Y	41.8	Very low	33.9	Very low	209 Å²	209	141.6 Å²	141.6	82%	0.82	79%	0.787	S	S	*	*			trans	-70.1	107.5	166.5	-87.6	-83.6	0	0	0	108.3	G6 L10	G6-Y8 PolarHBondContact O-N 3.27Å; Y8-L10 PolarHBondContact O-N 3.37Å
9	T	33.2	Very low	34.4	Very low	108 Å²	108	138.7 Å²	138.7	66%	0.663	77%	0.77	S	S	*	*			trans	-61.8	123.4	165.1	42.5	0	0	0	0	108	K7 D11	K7-T9 PolarHBondContact O-N 2.85Å; K7-T9 VanDerWaalsContact O-N 3.1Å; T9-D11 VanDerWaalsContact C-N 3.28Å; T9-D11 PolarHBondContact O-N 2.82Å
10	L	34	Very low	34.7	Very low	161 Å²	161	137 Å²	137	84%	0.843	76%	0.759	S	S	*	*			trans	-58.2	92.7	166.4	-89.2	144.6	0	0	0	108.2	Y8 N12	Y8-L10 PolarHBondContact O-N 3.37Å; L10-N12 PolarHBondContact O-N 3.43Å
11	D	35.3	Very low	35	Very low	143 Å²	143	139.5 Å²	139.5	77%	0.765	76%	0.762	S	S	*	*			trans	-68.7	101.9	164.5	-85	-25.9	0	0	0	107.4	T9 S13	T9-D11 VanDerWaalsContact C-N 3.28Å; T9-D11 PolarHBondContact O-N 2.82Å; D11-S13 PolarHBondContact O-N 2.73Å
12	N	31.9	Very low	35.1	Very low	155 Å²	155	130.8 Å²	130.8	83%	0.829	72%	0.721	S	S	*	*			trans	-66.4	63.7	164.5	-91.7	5.8	0	0	0	109.4	L10	L10-N12 PolarHBondContact O-N 3.43Å
13	S	31.9	Very low	35.3	Very low	102 Å²	102	132.1 Å²	132.1	71%	0.713	72%	0.717	S	S	*	*			trans	-109.5	94	163.1	-163.5	0	0	0	0	107.3	D11 N15	D11-S13 PolarHBondContact O-N 2.73Å; S13-N15 PolarHBondContact O-N 2.94Å
14	C	30.7	Very low	35.9	Very low	104 Å²	104	130.5 Å²	130.5	70%	0.703	70%	0.704	S	S	*	*			trans	-64.9	76.8	168.8	-68.2	0	0	0	0	108.6	N16	C14-N16 PolarHBondContact O-N 3Å; C14-N16 VanDerWaalsContact O-N 3.09Å
15	N	31.3	Very low	36.2	Very low	150 Å²	150	131.2 Å²	131.2	80%	0.802	70%	0.701	S	S	*	*			trans	-75.3	100.6	165	-156.9	11.8	0	0	0	106.3	S13 G17	S13-N15 PolarHBondContact O-N 2.94Å; N15-G17 PolarHBondContact O-N 3.35Å
16	N	35.1	Very low	36.1	Very low	149 Å²	149	129.7 Å²	129.7	80%	0.797	70%	0.695	S	S	*	*			trans	-63.5	82.2	170.1	-71.9	-34.6	0	0	0	107.3	C14 H18	C14-N16 PolarHBondContact O-N 3Å; C14-N16 VanDerWaalsContact O-N 3.09Å; N16-H18 PolarHBondContact O-N 2.75Å
17	G	31.6	Very low	36.3	Very low	54 Å²	54	134.8 Å²	134.8	56%	0.557	70%	0.703	S	S	*	*			trans	-51.6	118	161.7	0	0	0	0	0	106.5	N15 L19	N15-G17 PolarHBondContact O-N 3.35Å; G17-L19 PolarHBondContact O-N 2.93Å
18	H	36.7	Very low	36.7	Very low	160 Å²	160	131 Å²	131	74%	0.741	69%	0.692	S	S	*	*			trans	-58.4	89.5	173.4	-171.5	82.1	0	0	0	106.8	N16 D20	N16-H18 PolarHBondContact O-N 2.75Å; H18-D20 PolarHBondContact O-N 3.46Å; H18-D20 VanDerWaalsContact O-N 3.14Å
19	L	43.7	Very low	36.5	Very low	88 Å²	88	126.9 Å²	126.9	46%	0.461	68%	0.683	S	S	.	*			trans	-64.8	112.3	172.7	-77.2	160.7	0	0	0	105.3	G17 K21 Y220	G17-L19 PolarHBondContact O-N 2.93Å; L19-K21 PolarHBondContact O-N 2.81Å; L19-K21 VanDerWaalsContact O-N 3.13Å; L19-Y220 HydrophobicContact CD2-CE1 4.25Å
20	D	41.1	Very low	36.7	Very low	104 Å²	104	127.6 Å²	127.6	56%	0.556	68%	0.683	S	S	*	*			trans	-43.2	123.3	176.3	-70	-42.8	0	0	0	108.8	H18 D22	H18-D20 PolarHBondContact O-N 3.46Å; H18-D20 VanDerWaalsContact O-N 3.14Å; D20-D22 PolarHBondContact O-N 3.03Å
21	K	40.4	Very low	37	Very low	189 Å²	189	124.2 Å²	124.2	82%	0.822	67%	0.666	S	S	*	*			trans	-69.7	87.1	167.7	-67.7	177.8	-179.9	176.2	0	105	L19 E23	L19-K21 PolarHBondContact O-N 2.81Å; L19-K21 VanDerWaalsContact O-N 3.13Å; K21-E23 PolarHBondContact O-N 2.88Å
22	D	42.5	Very low	37.1	Very low	59 Å²	59	125.6 Å²	125.6	32%	0.316	67%	0.668	S	S	.	*			trans	-55.7	110.8	165.2	-72.4	-47.4	0	0	0	105.7	D20 D24 K96	D20-D22 PolarHBondContact O-N 3.03Å; D22-D24 VanDerWaalsContact C-N 3.33Å; D22-D24 PolarHBondContact O-N 3.11Å; D22-K96 IonicContact OD1-NZ 3.27Å; D22-K96 PolarHBondContact OD1-NZ 2.93Å
23	E	39.4	Very low	37.4	Very low	174 Å²	174	122.4 Å²	122.4	81%	0.813	65%	0.648	S	S	*	*			trans	-65.7	99.2	167	-69.6	178.2	169.5	0	0	105.5	K21 D25	K21-E23 PolarHBondContact O-N 2.88Å; E23-D25 PolarHBondContact O-N 3.35Å
24	D	41.6	Very low	37.3	Very low	96 Å²	96	126.9 Å²	126.9	51%	0.513	66%	0.658	S	S	.	*			trans	-69.5	83.2	174.4	-71.2	-46.4	0	0	0	108.1	D22 D26	D22-D24 VanDerWaalsContact C-N 3.33Å; D22-D24 PolarHBondContact O-N 3.11Å; D24-D26 VanDerWaalsContact C-N 3.35Å; D24-D26 PolarHBondContact O-N 3.41Å
25	D	38	Very low	37.2	Very low	132 Å²	132	128 Å²	128	71%	0.706	66%	0.656	S	S	*	*			trans	-66	100.3	160.7	-77.8	-30.8	0	0	0	107.3	E23 E27	E23-D25 PolarHBondContact O-N 3.35Å; D25-E27 PolarHBondContact O-N 2.87Å
26	D	37.8	Very low	37	Very low	133 Å²	133	125.9 Å²	125.9	71%	0.711	65%	0.652	S	S	*	*			trans	-61.8	70.4	170.9	-86.1	-35.9	0	0	0	110.2	D24 N28	D24-D26 VanDerWaalsContact C-N 3.35Å; D24-D26 PolarHBondContact O-N 3.41Å; D26-N28 PolarHBondContact O-N 3.33Å; D26-N28 PolarHBondContact O-ND2 3.31Å
27	E	36.1	Very low	36.6	Very low	168 Å²	168	125.2 Å²	125.2	79%	0.785	65%	0.648	S	S	*	*			trans	-73.2	97.9	162.5	-79.8	-171	168.4	0	0	108.1	D25 D29	D25-E27 PolarHBondContact O-N 2.87Å; E27-D29 PolarHBondContact O-N 2.96Å
28	N	37.7	Very low	36.4	Very low	114 Å²	114	128.2 Å²	128.2	61%	0.61	66%	0.661	S	S	*	*			trans	-65.2	78.6	171.8	-66.1	-66.9	0	0	0	110	D26 D30	D26-N28 PolarHBondContact O-N 3.33Å; D26-N28 PolarHBondContact O-ND2 3.31Å; N28-D30 PolarHBondContact O-N 3.5Å
29	D	37.3	Very low	35.9	Very low	121 Å²	121	125 Å²	125	65%	0.647	66%	0.656	S	S	*	*			trans	-73.7	88.4	160.5	-88.2	-19.2	0	0	0	107.9	E27 D31	E27-D29 PolarHBondContact O-N 2.96Å; D29-D31 PolarHBondContact O-N 2.85Å
30	D	36.9	Very low	35.2	Very low	124 Å²	124	127.7 Å²	127.7	66%	0.663	67%	0.671	S	S	*	*			trans	-61.3	77.4	163.3	-75.1	-34.9	0	0	0	109.1	N28 E32	N28-D30 PolarHBondContact O-N 3.5Å; D30-E32 PolarHBondContact O-N 3.48Å
31	D	39.5	Very low	34.9	Very low	89 Å²	89	130.7 Å²	130.7	48%	0.476	69%	0.687	S	S	.	*			trans	-65.1	82.5	153.1	-84.2	-26.8	0	0	0	106.6	D29 E33 R191	D29-D31 PolarHBondContact O-N 2.85Å; D31-E33 PolarHBondContact O-N 2.89Å; D31-R191 IonicContact OD2-NH2 3.75Å
32	E	37.8	Very low	34.3	Very low	172 Å²	172	130.4 Å²	130.4	80%	0.804	69%	0.688	S	S	*	*			trans	-52.8	113.1	166.9	-71.8	-167.3	171.6	0	0	107.8	D30 E34	D30-E32 PolarHBondContact O-N 3.48Å; E32-E34 PolarHBondContact O-N 2.78Å
33	E	38.6	Very low	33.7	Very low	89 Å²	89	134.3 Å²	134.3	42%	0.416	71%	0.708	S	S	.	*			trans	-66.8	100.2	168.1	-74.1	-169.7	167.2	0	0	106.9	D31 I35 H64	D31-E33 PolarHBondContact O-N 2.89Å; E33-I35 VanDerWaalsContact O-CG1 3.29Å; E33-I35 WeakPolarHBondContact O-CG1 3.26Å; E33-I35 PolarHBondContact O-N 2.99Å; E33-I35 VanDerWaalsContact O-N 3.07Å; E33-H64 IonicContact OE2-CE1 3.03Å; E33-H64 PolarHBondContact OE2-CE1 2.98Å; E33-H64 IonicContact OE2-ND1 3.51Å
34	E	30.4	Very low	33.3	Very low	195 Å²	195	135 Å²	135	91%	0.911	71%	0.708	S	S	*	*			trans	-53	116.8	170.1	-93.5	-167.3	158.1	0	0	109.7	E32 S36	E32-E34 PolarHBondContact O-N 2.78Å; E34-S36 PolarHBondContact O-N 3.19Å
35	I	28.4	Very low	32.8	Very low	129 Å²	129	137.5 Å²	137.5	66%	0.662	72%	0.721	S	S	*	*			trans	-87	101.3	-174.8	-51.3	176.7	0	0	0	107.8	E33 L37	E33-I35 VanDerWaalsContact O-CG1 3.29Å; E33-I35 WeakPolarHBondContact O-CG1 3.26Å; E33-I35 PolarHBondContact O-N 2.99Å; E33-I35 VanDerWaalsContact O-N 3.07Å; I35-L37 HydrophobicContact CG2-CD2 4.42Å; I35-L37 HydrophobicContact CG2-CG 4.16Å; I35-L37 PolarHBondContact O-N 2.83Å
36	S	25.4	Very low	32.5	Very low	105 Å²	105	137.7 Å²	137.7	73%	0.734	72%	0.721	S	S	*	*			trans	-75.9	102.6	164.4	176.5	0	0	0	0	109.3	E34 S38	E34-S36 PolarHBondContact O-N 3.19Å; S36-S38 PolarHBondContact O-N 3.12Å
37	L	26.7	Very low	32.6	Very low	135 Å²	135	137 Å²	137	71%	0.707	72%	0.718	S	S	*	*			trans	-81	97.6	164.4	-71.1	165.4	0	0	0	107.8	I35 S39	I35-L37 HydrophobicContact CG2-CD2 4.42Å; I35-L37 HydrophobicContact CG2-CG 4.16Å; I35-L37 PolarHBondContact O-N 2.83Å; L37-S39 PolarHBondContact O-N 3.45Å
38	S	27.7	Very low	32.6	Very low	117 Å²	117	134.6 Å²	134.6	82%	0.818	71%	0.711	S	S	*	*			trans	-72.1	86.6	162.7	-168	0	0	0	0	107.4	S36	S36-S38 PolarHBondContact O-N 3.12Å
39	S	26.6	Very low	32.8	Very low	91 Å²	91	134.7 Å²	134.7	64%	0.636	71%	0.71	S	S	*	*			trans	-84.5	113.1	160	-56.3	0	0	0	0	105.1	L37	L37-S39 PolarHBondContact O-N 3.45Å
40	D	29.8	Very low	33.1	Very low	146 Å²	146	133.1 Å²	133.1	78%	0.781	70%	0.702	S	S	*	*			trans	178.1	108	152.3	-84.4	-23.9	0	0	0	106.8
41	D	33.8	Very low	33.4	Very low	167 Å²	167	136 Å²	136	89%	0.893	70%	0.703	S	S	*	*			trans	160	92.9	144.3	-79.5	-23.2	0	0	0	108.4
42	E	28.9	Very low	33.6	Very low	183 Å²	183	139.4 Å²	139.4	86%	0.855	71%	0.714	S	S	*	*			trans	-63.3	163.3	163.8	-68.7	-170.6	141.5	0	0	111.1
43	I	29.6	Very low	34.1	Very low	140 Å²	140	135.8 Å²	135.8	72%	0.718	70%	0.7	S	S	*	*			trans	101.1	99.4	155.2	-48.5	176.8	0	0	0	116.9
44	K	30	Very low	34.6	Very low	190 Å²	190	134.7 Å²	134.7	83%	0.826	70%	0.702	S	S	*	*			trans	56.6	94.4	140.9	-61.7	174.4	-179.2	174.9	0	119.1
45	L	31.1	Very low	35.8	Very low	148 Å²	148	128.2 Å²	128.2	78%	0.775	67%	0.672	S	S	*	*				-164.9	99.5	122.1	-124.4	134.7	0	0	0	109.9
46	N	32.3	Very low	37.3	Very low	135 Å²	135	124 Å²	124	72%	0.722	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.5	138.6	-171.1	-120.8	-6.2	0	0	0	113
47	N	39.9	Very low	38.8	Very low	118 Å²	118	123 Å²	123	63%	0.631	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	92.4	-37.2	164.6	-53.2	-33.3	0	0	0	119.6
48	N	36.1	Very low	40.3	Very low	119 Å²	119	122.6 Å²	122.6	64%	0.636	63%	0.632	S	S	*	*	H	α-helix	trans	-91.1	-31.2	-176.5	-140.6	-19.4	0	0	0	113
49	L	42.9	Very low	41.9	Very low	115 Å²	115	118.2 Å²	118.2	60%	0.602	60%	0.599	S	S	*	*	H	α-helix	trans	-71.9	-35.4	174.5	-72.2	167.2	0	0	0	111.9	R51 K52 N53	L49-R51 PolarHBondContact O-N 2.93Å; L49-K52 PolarHBondContact O-N 3.25Å; L49-K52 VanDerWaalsContact O-N 3.11Å; L49-N53 WeakPolarHBondContact O-CB 3.11Å; L49-N53 PolarHBondContact O-N 3.34Å
50	D	43.6	Very low	43.6	Very low	89 Å²	89	120.3 Å²	120.3	48%	0.476	59%	0.593	S	S	.	*	H	α-helix	trans	-60.9	-34.5	177	-65.9	-44.8	0	0	0	112.1	S54	D50-S54 WeakPolarHBondContact O-CB 3.4Å; D50-S54 PolarHBondContact O-N 3.45Å; D50-S54 PolarHBondContact O-OG 2.99Å
51	R	41.5	Very low	44.9	Very low	184 Å²	184	115.5 Å²	115.5	69%	0.694	57%	0.573	S	S	*	*	H	α-helix	trans	-64.9	-49.7	172.9	-76.9	-175.5	174	168	-0.9	111.5	L49 N53 S54 Q55	L49-R51 PolarHBondContact O-N 2.93Å; R51-N53 VanDerWaalsContact C-N 3.34Å; R51-N53 PolarHBondContact O-N 3.25Å; R51-S54 PolarHBondContact O-OG 3.17Å; R51-S54 VanDerWaalsContact O-OG 3.11Å; R51-Q55 WeakPolarHBondContact O-CB 2.94Å; R51-Q55 WeakPolarHBondContact O-CG 3.19Å; R51-Q55 PolarHBondContact O-N 3.47Å
52	K	43.9	Very low	46.1	Very low	160 Å²	160	109.6 Å²	109.6	70%	0.696	54%	0.54	S	S	*	.	H	α-helix	trans	-63.9	-40.4	179	-71.3	-172	176.3	-177.3	0	112	L49 S56	L49-K52 PolarHBondContact O-N 3.25Å; L49-K52 VanDerWaalsContact O-N 3.11Å; K52-S56 PolarHBondContact O-N 3.17Å
53	N	49.9	Very low	47.8	Very low	96 Å²	96	102.6 Å²	102.6	51%	0.513	51%	0.507	S	S	.	.	H	α-helix	trans	-70.2	-48.4	179.6	-167.2	19.6	0	0	0	111.7	L49 R51 Q55 S56 V57	L49-N53 WeakPolarHBondContact O-CB 3.11Å; L49-N53 PolarHBondContact O-N 3.34Å; R51-N53 VanDerWaalsContact C-N 3.34Å; R51-N53 PolarHBondContact O-N 3.25Å; N53-Q55 VanDerWaalsContact C-N 3.28Å; N53-Q55 PolarHBondContact O-N 3.03Å; N53-S56 WeakPolarHBondContact O-CA 3.47Å; N53-S56 WeakPolarHBondContact O-CB 3.42Å; N53-S56 PolarHBondContact O-N 2.93Å; N53-S56 PolarHBondContact O-OG 3.43Å; N53-S56 PolarHBondContact OD1-OG 3.49Å; N53-V57 WeakPolarHBondContact O-CG2 3.46Å; N53-V57 PolarHBondContact O-N 2.87Å
54	S	49	Very low	49.4	Very low	66 Å²	66	99.6 Å²	99.6	46%	0.462	49%	0.49	S	S	.	.	H	α-helix	trans	-61.1	-36.6	175.6	60.3	0	0	0	0	112.4	D50 R51 S56 V57 W58	D50-S54 WeakPolarHBondContact O-CB 3.4Å; D50-S54 PolarHBondContact O-N 3.45Å; D50-S54 PolarHBondContact O-OG 2.99Å; R51-S54 PolarHBondContact O-OG 3.17Å; R51-S54 VanDerWaalsContact O-OG 3.11Å; S54-S56 VanDerWaalsContact C-N 3.34Å; S54-V57 PolarHBondContact O-N 3.02Å; S54-W58 VanDerWaalsContact O-CB 3.26Å; S54-W58 WeakPolarHBondContact O-CB 3.46Å; S54-W58 PolarHBondContact O-N 3.24Å
55	Q	53.8	Low	50.7	Low	60 Å²	60	94.6 Å²	94.6	28%	0.28	47%	0.471	S	S	.	.	H	α-helix	trans	-61.4	-42.3	171.4	-72.4	-82.6	-36.3	0	0	111.2	R51 N53 F59 N127	R51-Q55 WeakPolarHBondContact O-CB 2.94Å; R51-Q55 WeakPolarHBondContact O-CG 3.19Å; R51-Q55 PolarHBondContact O-N 3.47Å; N53-Q55 VanDerWaalsContact C-N 3.28Å; N53-Q55 PolarHBondContact O-N 3.03Å; Q55-F59 WeakPolarHBondContact O-CB 3.22Å; Q55-F59 PolarHBondContact O-N 3.16Å; Q55-N127 PolarHBondContact OE1-ND2 2.89Å
56	S	60.1	Low	52.2	Low	39 Å²	39	88.8 Å²	88.8	27%	0.273	44%	0.442	S	S	.	.	H	α-helix	trans	-65.4	-39.9	176.8	85.6	0	0	0	0	112.8	K52 N53 S54 R60	K52-S56 PolarHBondContact O-N 3.17Å; N53-S56 WeakPolarHBondContact O-CA 3.47Å; N53-S56 WeakPolarHBondContact O-CB 3.42Å; N53-S56 PolarHBondContact O-N 2.93Å; N53-S56 PolarHBondContact O-OG 3.43Å; N53-S56 PolarHBondContact OD1-OG 3.49Å; S54-S56 VanDerWaalsContact C-N 3.34Å; S56-R60 WeakPolarHBondContact O-CB 3.34Å; S56-R60 VanDerWaalsContact O-CG 3.22Å; S56-R60 WeakPolarHBondContact O-CG 3.39Å; S56-R60 PolarHBondContact O-N 2.91Å
57	V	58	Low	53.4	Low	85 Å²	85	83.8 Å²	83.8	52%	0.515	42%	0.422	S	S	.	.	H	α-helix	trans	-69.3	-45.1	177.5	176.9	0	0	0	0	110.6	N53 S54 F59 R60 A61	N53-V57 WeakPolarHBondContact O-CG2 3.46Å; N53-V57 PolarHBondContact O-N 2.87Å; S54-V57 PolarHBondContact O-N 3.02Å; V57-F59 VanDerWaalsContact C-N 3.34Å; V57-F59 PolarHBondContact O-N 3.07Å; V57-R60 PolarHBondContact O-N 3.33Å; V57-A61 WeakPolarHBondContact O-CB 3.43Å; V57-A61 PolarHBondContact O-N 2.98Å
58	W	57.2	Low	54.3	Low	126 Å²	126	85.7 Å²	85.7	48%	0.477	42%	0.42	S	S	.	.	H	α-helix	trans	-62.2	-42.1	176.4	-174.8	84.1	0	0	0	111.7	S54 A61 Q62	S54-W58 VanDerWaalsContact O-CB 3.26Å; S54-W58 WeakPolarHBondContact O-CB 3.46Å; S54-W58 PolarHBondContact O-N 3.24Å; W58-A61 PolarHBondContact O-N 3.41Å; W58-Q62 WeakPolarHBondContact O-CB 3.14Å; W58-Q62 PolarHBondContact O-N 2.84Å
59	F	61.8	Low	55.3	Low	26 Å²	26	82.7 Å²	82.7	11%	0.114	41%	0.406	C	S	.	.	H	α-helix	trans	-60	-48.4	174.6	178.4	-115.1	0	0	0	112	Q55 V57 A61 Q62 K63 V121 I122 Q125 Y183	Q55-F59 WeakPolarHBondContact O-CB 3.22Å; Q55-F59 PolarHBondContact O-N 3.16Å; V57-F59 VanDerWaalsContact C-N 3.34Å; V57-F59 PolarHBondContact O-N 3.07Å; F59-A61 PolarHBondContact O-N 3.06Å; F59-Q62 PolarHBondContact O-N 2.83Å; F59-K63 WeakPolarHBondContact O-CB 3.31Å; F59-K63 PolarHBondContact O-N 3.39Å; F59-V121 HydrophobicContact CD2-CG1 4.35Å; F59-V121 HydrophobicContact CE2-CG1 3.93Å; F59-I122 HydrophobicContact CE2-CG1 4.31Å; F59-I122 HydrophobicContact CZ-CG1 4.03Å; F59-Q125 HydrophobicContact CD2-CG 3.71Å; F59-Q125 HydrophobicContact CE2-CG 3.61Å; F59-Y183 AromaticContact CE1-CD1 3.74Å; F59-Y183 HydrophobicContact CE1-CD1 3.74Å; F59-Y183 HydrophobicContact CE1-CG 4.27Å; F59-Y183 HydrophobicContact CE2-CD1 4.36Å; F59-Y183 AromaticContact CZ-CD1 3.58Å; F59-Y183 HydrophobicContact CZ-CD1 3.58Å; F59-Y183 AromaticContact CZ-CG 3.97Å; F59-Y183 HydrophobicContact CZ-CG 3.97Å
60	R	62.4	Low	56.5	Low	135 Å²	135	77.8 Å²	77.8	51%	0.509	38%	0.381	S	S	.	.	H	α-helix	trans	-59.3	-48.3	176.2	-73.6	173.1	-175.8	-171	2.8	110.4	S56 V57 Q62 K63 H64	S56-R60 WeakPolarHBondContact O-CB 3.34Å; S56-R60 VanDerWaalsContact O-CG 3.22Å; S56-R60 WeakPolarHBondContact O-CG 3.39Å; S56-R60 PolarHBondContact O-N 2.91Å; V57-R60 PolarHBondContact O-N 3.33Å; R60-Q62 PolarHBondContact O-N 3.48Å; R60-K63 WeakPolarHBondContact O-CB 3.39Å; R60-K63 PolarHBondContact O-N 3.47Å; R60-H64 PolarHBondContact O-CD2 2.93Å; R60-H64 PolarHBondContact O-N 2.65Å
61	A	56.2	Low	57.6	Low	45 Å²	45	79.5 Å²	79.5	37%	0.372	39%	0.386	S	S	.	.	H	α-helix	trans	-58.4	-44.6	178.1	0	0	0	0	0	112.5	V57 W58 F59 H64 I65	V57-A61 WeakPolarHBondContact O-CB 3.43Å; V57-A61 PolarHBondContact O-N 2.98Å; W58-A61 PolarHBondContact O-N 3.41Å; F59-A61 PolarHBondContact O-N 3.06Å; A61-H64 PolarHBondContact O-N 2.87Å; A61-I65 WeakPolarHBondContact O-CG1 3.15Å; A61-I65 PolarHBondContact O-N 3.27Å
62	Q	59.5	Low	59.2	Low	43 Å²	43	74.4 Å²	74.4	20%	0.201	37%	0.372	C	S	.	.	H	α-helix	trans	-65.5	-40.1	178.3	-166.5	-177.8	11.7	0	0	112	W58 F59 R60 H64 I65 V66 V121	W58-Q62 WeakPolarHBondContact O-CB 3.14Å; W58-Q62 PolarHBondContact O-N 2.84Å; F59-Q62 PolarHBondContact O-N 2.83Å; R60-Q62 PolarHBondContact O-N 3.48Å; Q62-H64 VanDerWaalsContact C-N 3.32Å; Q62-H64 PolarHBondContact O-N 2.87Å; Q62-I65 PolarHBondContact O-N 3.4Å; Q62-V66 WeakPolarHBondContact O-CG2 3.29Å; Q62-V66 PolarHBondContact O-N 3.13Å; Q62-V121 HydrophobicContact CB-CG1 4.47Å; Q62-V121 HydrophobicContact CG-CG1 4.26Å
63	K	66.1	Low	60.9	Low	36 Å²	36	69 Å²	69	16%	0.157	35%	0.351	C	S	.	.	H	α-helix	trans	-59.5	-42.2	173.8	-172.2	-168.4	65.9	167.8	0	111.4	F59 R60 V66 G67 K118 L184	F59-K63 WeakPolarHBondContact O-CB 3.31Å; F59-K63 PolarHBondContact O-N 3.39Å; R60-K63 WeakPolarHBondContact O-CB 3.39Å; R60-K63 PolarHBondContact O-N 3.47Å; K63-V66 PolarHBondContact O-N 3.36Å; K63-G67 PolarHBondContact O-N 3.13Å; K63-K118 HydrophobicContact CG-CG 4.45Å; K63-L184 HydrophobicContact CD-CD2 3.93Å
64	H	62	Low	62.3	Low	76 Å²	76	71.1 Å²	71.1	35%	0.352	36%	0.358	S	S	.	.	H	α-helix	trans	-65.8	-42	175.3	-70.4	-71	0	0	0	112.2	E33 R60 A61 Q62 G67 R68	E33-H64 IonicContact OE2-CE1 3.03Å; E33-H64 PolarHBondContact OE2-CE1 2.98Å; E33-H64 IonicContact OE2-ND1 3.51Å; R60-H64 PolarHBondContact O-CD2 2.93Å; R60-H64 PolarHBondContact O-N 2.65Å; A61-H64 PolarHBondContact O-N 2.87Å; Q62-H64 VanDerWaalsContact C-N 3.32Å; Q62-H64 PolarHBondContact O-N 2.87Å; H64-G67 PolarHBondContact O-N 3.17Å; H64-R68 PolarHBondContact O-N 3.31Å; H64-R68 VanDerWaalsContact O-N 3.17Å
65	I	58	Low	63.6	Low	85 Å²	85	69.3 Å²	69.3	44%	0.436	35%	0.345	S	S	.	.	H	α-helix	trans	-62.5	-45.2	176.4	-67.7	165.7	0	0	0	110.4	A61 Q62 G67 R68 V69	A61-I65 WeakPolarHBondContact O-CG1 3.15Å; A61-I65 PolarHBondContact O-N 3.27Å; Q62-I65 PolarHBondContact O-N 3.4Å; I65-G67 VanDerWaalsContact C-N 3.32Å; I65-G67 PolarHBondContact O-N 3.15Å; I65-R68 PolarHBondContact O-N 3.48Å; I65-R68 VanDerWaalsContact O-N 3.12Å; I65-V69 HydrophobicContact CG2-CG2 4.03Å; I65-V69 WeakPolarHBondContact O-CG2 3.32Å; I65-V69 PolarHBondContact O-N 2.84Å
66	V	61.1	Low	64.9	Low	27 Å²	27	66.8 Å²	66.8	16%	0.164	33%	0.333	C	S	.	.	H	α-helix	trans	-66.5	-35.8	178.4	169.7	0	0	0	0	112	Q62 K63 R68 V69 L70 V121	Q62-V66 WeakPolarHBondContact O-CG2 3.29Å; Q62-V66 PolarHBondContact O-N 3.13Å; K63-V66 PolarHBondContact O-N 3.36Å; V66-R68 PolarHBondContact O-N 3.07Å; V66-V69 PolarHBondContact O-N 3.06Å; V66-L70 HydrophobicContact CG1-CD1 3.38Å; V66-L70 HydrophobicContact CG1-CG 3.94Å; V66-L70 VanDerWaalsContact O-CB 3.31Å; V66-L70 WeakPolarHBondContact O-CB 3.48Å; V66-L70 VanDerWaalsContact O-CG 3.26Å; V66-L70 WeakPolarHBondContact O-CG 3.33Å; V66-L70 PolarHBondContact O-N 3Å; V66-V121 HydrophobicContact CB-CG2 3.49Å; V66-V121 VanDerWaalsContact CB-CG2 3.49Å; V66-V121 HydrophobicContact CG1-CG2 3.65Å; V66-V121 HydrophobicContact CG2-CG2 3.32Å
67	G	58.5	Low	66.2	Low	29 Å²	29	67.3 Å²	67.3	30%	0.299	33%	0.331	S	S	.	.	H	α-helix	trans	-56.7	-37.2	171.5	0	0	0	0	0	113.2	K63 H64 I65	K63-G67 PolarHBondContact O-N 3.13Å; H64-G67 PolarHBondContact O-N 3.17Å; I65-G67 VanDerWaalsContact C-N 3.32Å; I65-G67 PolarHBondContact O-N 3.15Å
68	R	59.4	Low	67.2	Low	158 Å²	158	68 Å²	68	60%	0.596	34%	0.339	S	S	*	.	H	α-helix	trans	-79.5	-43.1	176	-71.3	-171.3	-74.8	139.8	-8	113.2	H64 I65 V66 L70 Q71	H64-R68 PolarHBondContact O-N 3.31Å; H64-R68 VanDerWaalsContact O-N 3.17Å; I65-R68 PolarHBondContact O-N 3.48Å; I65-R68 VanDerWaalsContact O-N 3.12Å; V66-R68 PolarHBondContact O-N 3.07Å; R68-L70 VanDerWaalsContact C-N 3.27Å; R68-L70 PolarHBondContact O-N 2.64Å; R68-Q71 VanDerWaalsContact O-CB 3.25Å; R68-Q71 WeakPolarHBondContact O-CB 3.48Å; R68-Q71 VanDerWaalsContact O-CG 3.32Å; R68-Q71 WeakPolarHBondContact O-CG 3.45Å; R68-Q71 PolarHBondContact O-N 3.22Å; R68-Q71 VanDerWaalsContact O-N 3.09Å; R68-Q71 PolarHBondContact O-OE1 2.78Å; R68-Q71 VanDerWaalsContact O-OE1 3.13Å
69	V	56.3	Low	68.3	Low	56 Å²	56	65.6 Å²	65.6	34%	0.339	34%	0.335	S	S	.	.	H	α-helix	trans	-62	-38	178.9	170.3	0	0	0	0	110.7	I65 V66 Q71 S75 I79	I65-V69 HydrophobicContact CG2-CG2 4.03Å; I65-V69 WeakPolarHBondContact O-CG2 3.32Å; I65-V69 PolarHBondContact O-N 2.84Å; V66-V69 PolarHBondContact O-N 3.06Å; V69-Q71 PolarHBondContact O-N 3.35Å; V69-Q71 VanDerWaalsContact O-N 3.16Å; V69-S75 WeakPolarHBondContact O-CB 3.38Å; V69-S75 PolarHBondContact O-OG 2.93Å; V69-I79 HydrophobicContact CG1-CD1 3.92Å
70	L	67.4	Low	69.5	Low	13 Å²	13	66.2 Å²	66.2	7%	0.068	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	14.9	177.4	-64.6	172.3	0	0	0	114.5	V66 R68 I76 I79 I113	V66-L70 HydrophobicContact CG1-CD1 3.38Å; V66-L70 HydrophobicContact CG1-CG 3.94Å; V66-L70 VanDerWaalsContact O-CB 3.31Å; V66-L70 WeakPolarHBondContact O-CB 3.48Å; V66-L70 VanDerWaalsContact O-CG 3.26Å; V66-L70 WeakPolarHBondContact O-CG 3.33Å; V66-L70 PolarHBondContact O-N 3Å; R68-L70 VanDerWaalsContact C-N 3.27Å; R68-L70 PolarHBondContact O-N 2.64Å; L70-I76 HydrophobicContact CB-CG1 4.21Å; L70-I76 HydrophobicContact CD2-CB 4.23Å; L70-I76 HydrophobicContact CD2-CG1 3.75Å; L70-I79 HydrophobicContact CD2-CB 4.47Å; L70-I79 HydrophobicContact CD2-CD1 3.51Å; L70-I79 HydrophobicContact CG-CD1 4.19Å; L70-I113 HydrophobicContact CB-CG2 3.97Å
71	Q	67.8	Low	70.8	Confident	124 Å²	124	61.3 Å²	61.3	58%	0.579	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-29.1	171.9	-70.4	172.6	-47.7	0	0	112	R68 V69	R68-Q71 VanDerWaalsContact O-CB 3.25Å; R68-Q71 WeakPolarHBondContact O-CB 3.48Å; R68-Q71 VanDerWaalsContact O-CG 3.32Å; R68-Q71 WeakPolarHBondContact O-CG 3.45Å; R68-Q71 PolarHBondContact O-N 3.22Å; R68-Q71 VanDerWaalsContact O-N 3.09Å; R68-Q71 PolarHBondContact O-OE1 2.78Å; R68-Q71 VanDerWaalsContact O-OE1 3.13Å; V69-Q71 PolarHBondContact O-N 3.35Å; V69-Q71 VanDerWaalsContact O-N 3.16Å
72	N	73.9	Confident	72.4	Confident	77 Å²	77	66.1 Å²	66.1	41%	0.412	34%	0.343	S	S	.	.	S	Bend	trans	-107.4	145.4	-179.3	69.2	64.7	0	0	0	113	Q74 S75 I76	N72-Q74 VanDerWaalsContact C-N 3.29Å; N72-Q74 PolarHBondContact O-N 3.28Å; N72-S75 VanDerWaalsContact CG-OG 3.31Å; N72-S75 PolarHBondContact ND2-OG 3.38Å; N72-S75 PolarHBondContact O-N 3.16Å; N72-S75 WeakPolarHBondContact OD1-CA 3.43Å; N72-S75 WeakPolarHBondContact OD1-CB 3.42Å; N72-S75 PolarHBondContact OD1-N 3.16Å; N72-S75 PolarHBondContact OD1-OG 3.32Å; N72-I76 WeakPolarHBondContact O-CG1 3.47Å; N72-I76 PolarHBondContact O-N 3.24Å; N72-I76 VanDerWaalsContact O-N 3.16Å
73	D	80.2	Confident	73.9	Confident	48 Å²	48	68 Å²	68	26%	0.257	35%	0.349	S	S	.	.	H	α-helix	trans	-60	-36.2	-176.8	-84.5	-2.3	0	0	0	113.6	S75 I76 K77 Y85	D73-S75 PolarHBondContact O-N 3.09Å; D73-I76 PolarHBondContact O-N 2.95Å; D73-K77 WeakPolarHBondContact O-CB 3.49Å; D73-K77 PolarHBondContact O-N 3.2Å; D73-Y85 HydrophobicContact CB-CE2 3.96Å; D73-Y85 PolarHBondContact OD2-OH 3.47Å
74	Q	79.1	Confident	75.1	Confident	140 Å²	140	67.2 Å²	67.2	65%	0.654	35%	0.348	S	S	*	.	H	α-helix	trans	-65.6	-39	-179.4	-176.1	61.3	9.6	0	0	112.3	N72 S78	N72-Q74 VanDerWaalsContact C-N 3.29Å; N72-Q74 PolarHBondContact O-N 3.28Å; Q74-S78 WeakPolarHBondContact O-CB 3.38Å; Q74-S78 PolarHBondContact O-N 2.98Å
75	S	77	Confident	76.6	Confident	28 Å²	28	63.9 Å²	63.9	20%	0.196	33%	0.333	C	S	.	.	H	α-helix	trans	-73.3	-41	178.2	-62.7	0	0	0	0	111.7	V69 N72 D73 K77 S78 I79	V69-S75 WeakPolarHBondContact O-CB 3.38Å; V69-S75 PolarHBondContact O-OG 2.93Å; N72-S75 VanDerWaalsContact CG-OG 3.31Å; N72-S75 PolarHBondContact ND2-OG 3.38Å; N72-S75 PolarHBondContact O-N 3.16Å; N72-S75 WeakPolarHBondContact OD1-CA 3.43Å; N72-S75 WeakPolarHBondContact OD1-CB 3.42Å; N72-S75 PolarHBondContact OD1-N 3.16Å; N72-S75 PolarHBondContact OD1-OG 3.32Å; D73-S75 PolarHBondContact O-N 3.09Å; S75-K77 VanDerWaalsContact C-N 3.32Å; S75-K77 PolarHBondContact O-N 2.95Å; S75-S78 PolarHBondContact O-N 2.96Å; S75-I79 WeakPolarHBondContact O-CG1 3.18Å; S75-I79 PolarHBondContact O-N 3.34Å
76	I	81.6	Confident	78.3	Confident	6 Å²	6	61.6 Å²	61.6	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-56	-53	172.4	-59.6	164.7	0	0	0	108.6	L70 N72 D73 S78 I79 I80 Y85 I113	L70-I76 HydrophobicContact CB-CG1 4.21Å; L70-I76 HydrophobicContact CD2-CB 4.23Å; L70-I76 HydrophobicContact CD2-CG1 3.75Å; N72-I76 WeakPolarHBondContact O-CG1 3.47Å; N72-I76 PolarHBondContact O-N 3.24Å; N72-I76 VanDerWaalsContact O-N 3.16Å; D73-I76 PolarHBondContact O-N 2.95Å; I76-S78 VanDerWaalsContact C-N 3.26Å; I76-S78 PolarHBondContact O-N 3.45Å; I76-I79 PolarHBondContact O-N 3.37Å; I76-I80 HydrophobicContact CG2-CD1 3.75Å; I76-I80 HydrophobicContact CG2-CG1 4.21Å; I76-I80 WeakPolarHBondContact O-CG1 3.4Å; I76-I80 PolarHBondContact O-N 3.25Å; I76-Y85 HydrophobicContact CB-CD2 4.22Å; I76-Y85 HydrophobicContact CG2-CD2 3.87Å; I76-I113 HydrophobicContact CD1-CD1 4.42Å; I76-I113 HydrophobicContact CD1-CG1 4.22Å; I76-I113 HydrophobicContact CD1-CG2 3.61Å; I76-I113 HydrophobicContact CG1-CG2 3.82Å; I76-I113 HydrophobicContact CG2-CD1 4.09Å; I76-I113 HydrophobicContact CG2-CG2 4.43Å
77	K	86.2	Confident	79.9	Confident	51 Å²	51	60.7 Å²	60.7	22%	0.222	32%	0.315	C	S	.	.	H	α-helix	trans	-56.1	-37.1	177.9	-178.6	167.5	-73.8	178	0	113	D73 S75 G81 K82 Y85 E86	D73-K77 WeakPolarHBondContact O-CB 3.49Å; D73-K77 PolarHBondContact O-N 3.2Å; S75-K77 VanDerWaalsContact C-N 3.32Å; S75-K77 PolarHBondContact O-N 2.95Å; K77-G81 CarbonylContact O-C 3.25Å; K77-G81 VanDerWaalsContact O-C 3.25Å; K77-G81 WeakPolarHBondContact O-CA 3.44Å; K77-G81 PolarHBondContact O-N 3.47Å; K77-K82 HydrophobicContact CD-CG 4.44Å; K77-K82 HydrophobicContact CG-CB 4.41Å; K77-Y85 HydrophobicContact CB-CD1 4.49Å; K77-Y85 HydrophobicContact CB-CD2 4.34Å; K77-Y85 HydrophobicContact CB-CG 4.09Å; K77-Y85 HydrophobicContact CD-CD1 4.43Å; K77-Y85 VanDerWaalsContact CE-CE1 3.43Å; K77-E86 WeakPolarHBondContact CE-OE1 3.26Å; K77-E86 IonicContact NZ-OE1 2.87Å; K77-E86 PolarHBondContact NZ-OE1 2.9Å
78	S	79.2	Confident	81.6	Confident	99 Å²	99	60.4 Å²	60.4	69%	0.692	31%	0.307	S	S	*	.	H	α-helix	trans	-70.1	-30.5	175.2	-172.3	0	0	0	0	113.4	Q74 S75 I76	Q74-S78 WeakPolarHBondContact O-CB 3.38Å; Q74-S78 PolarHBondContact O-N 2.98Å; S75-S78 PolarHBondContact O-N 2.96Å; I76-S78 VanDerWaalsContact C-N 3.26Å; I76-S78 PolarHBondContact O-N 3.45Å
79	I	81.1	Confident	83.3	Confident	75 Å²	75	55.8 Å²	55.8	39%	0.385	29%	0.291	S	S	.	.	H	α-helix	trans	-84.4	-46	-175.8	-71.5	165.8	0	0	0	111.5	V69 L70 S75 I76	V69-I79 HydrophobicContact CG1-CD1 3.92Å; L70-I79 HydrophobicContact CD2-CB 4.47Å; L70-I79 HydrophobicContact CD2-CD1 3.51Å; L70-I79 HydrophobicContact CG-CD1 4.19Å; S75-I79 WeakPolarHBondContact O-CG1 3.18Å; S75-I79 PolarHBondContact O-N 3.34Å; I76-I79 PolarHBondContact O-N 3.37Å
80	I	86.3	Confident	85.1	Confident	40 Å²	40	53.2 Å²	53.2	21%	0.205	28%	0.276	C	S	.	.	H	α-helix	trans	-98.1	-9.1	-175.7	70.7	178.3	0	0	0	113	I76 A84 L88 I116	I76-I80 HydrophobicContact CG2-CD1 3.75Å; I76-I80 HydrophobicContact CG2-CG1 4.21Å; I76-I80 WeakPolarHBondContact O-CG1 3.4Å; I76-I80 PolarHBondContact O-N 3.25Å; I80-A84 HydrophobicContact CB-CB 4.13Å; I80-A84 HydrophobicContact CD1-CB 4.08Å; I80-A84 HydrophobicContact CG1-CB 3.98Å; I80-A84 WeakPolarHBondContact O-CB 3.36Å; I80-L88 HydrophobicContact CD1-CD1 3.34Å; I80-L88 HydrophobicContact CD1-CG 4.41Å; I80-I116 HydrophobicContact CG2-CG2 3.66Å
81	G	89	Confident	86.5	Confident	32 Å²	32	54.2 Å²	54.2	33%	0.33	28%	0.28	S	S	.	.			trans	84.2	156.6	-174.7	0	0	0	0	0	113	K77 R83 A84 Y85	K77-G81 CarbonylContact O-C 3.25Å; K77-G81 VanDerWaalsContact O-C 3.25Å; K77-G81 WeakPolarHBondContact O-CA 3.44Å; K77-G81 PolarHBondContact O-N 3.47Å; G81-R83 PolarHBondContact O-N 3.44Å; G81-A84 PolarHBondContact O-N 3.01Å; G81-Y85 PolarHBondContact O-N 2.98Å; G81-Y85 VanDerWaalsContact O-N 3.11Å
82	K	90.2	Very high	87.8	Confident	146 Å²	146	50.1 Å²	50.1	64%	0.635	26%	0.26	S	S	*	.	H	α-helix	trans	-54.6	-48.3	-176.8	-175.3	177.9	177.7	179.8	0	112.9	K77 Y85 E86	K77-K82 HydrophobicContact CD-CG 4.44Å; K77-K82 HydrophobicContact CG-CB 4.41Å; K82-Y85 PolarHBondContact O-N 3.15Å; K82-E86 HydrophobicContact CG-CG 4.36Å; K82-E86 WeakPolarHBondContact O-CG 3.36Å; K82-E86 PolarHBondContact O-N 2.89Å
83	R	91.7	Very high	88.8	Confident	83 Å²	83	47.3 Å²	47.3	31%	0.313	25%	0.246	S	C	.	.	H	α-helix	trans	-65.2	-45.5	-173.3	-65.1	173.7	-174.8	-171.7	4.3	112.3	G81 E86 S87 L230 L231 Q234	G81-R83 PolarHBondContact O-N 3.44Å; R83-E86 PolarHBondContact O-N 3.5Å; R83-S87 PolarHBondContact O-N 2.95Å; R83-S87 PolarHBondContact O-OG 3.43Å; R83-L230 HydrophobicContact CG-CB 4.44Å; R83-L230 PolarHBondContact NH1-O 3.01Å; R83-L231 HydrophobicContact CB-CB 4.36Å; R83-L231 HydrophobicContact CB-CD1 4.17Å; R83-Q234 VanDerWaalsContact CZ-CD 3.47Å; R83-Q234 VanDerWaalsContact CZ-NE2 3.3Å
84	A	91	Very high	89.5	Confident	18 Å²	18	45.2 Å²	45.2	15%	0.149	24%	0.235	C	C	.	.	H	α-helix	trans	-62.8	-43.6	176.4	0	0	0	0	0	111.3	I80 G81 E86 S87 L88 L231	I80-A84 HydrophobicContact CB-CB 4.13Å; I80-A84 HydrophobicContact CD1-CB 4.08Å; I80-A84 HydrophobicContact CG1-CB 3.98Å; I80-A84 WeakPolarHBondContact O-CB 3.36Å; G81-A84 PolarHBondContact O-N 3.01Å; A84-E86 PolarHBondContact O-N 3.23Å; A84-S87 WeakPolarHBondContact O-CB 3.39Å; A84-S87 PolarHBondContact O-N 3Å; A84-L88 WeakPolarHBondContact O-CG 3.32Å; A84-L88 PolarHBondContact O-N 3.33Å; A84-L231 HydrophobicContact CB-CD1 4.15Å; A84-L231 HydrophobicContact CB-CD2 4.06Å
85	Y	93	Very high	90.3	Very high	7 Å²	7	38.5 Å²	38.5	3%	0.027	20%	0.204	C	C	.	.	H	α-helix	trans	-59.3	-45.9	175.9	169.9	-86.2	0	0	0	112.5	D73 I76 K77 G81 K82 S87 L88 K89	D73-Y85 HydrophobicContact CB-CE2 3.96Å; D73-Y85 PolarHBondContact OD2-OH 3.47Å; I76-Y85 HydrophobicContact CB-CD2 4.22Å; I76-Y85 HydrophobicContact CG2-CD2 3.87Å; K77-Y85 HydrophobicContact CB-CD1 4.49Å; K77-Y85 HydrophobicContact CB-CD2 4.34Å; K77-Y85 HydrophobicContact CB-CG 4.09Å; K77-Y85 HydrophobicContact CD-CD1 4.43Å; K77-Y85 VanDerWaalsContact CE-CE1 3.43Å; G81-Y85 PolarHBondContact O-N 2.98Å; G81-Y85 VanDerWaalsContact O-N 3.11Å; K82-Y85 PolarHBondContact O-N 3.15Å; Y85-S87 VanDerWaalsContact C-N 3.33Å; Y85-S87 PolarHBondContact O-N 3.25Å; Y85-L88 PolarHBondContact O-N 3.04Å; Y85-L88 VanDerWaalsContact O-N 3.14Å; Y85-K89 HydrophobicContact CE1-CD 4.47Å; Y85-K89 PolarHBondContact O-N 3.17Å
86	E	93.9	Very high	91.1	Very high	37 Å²	37	40 Å²	40	17%	0.173	21%	0.207	C	C	.	.	H	α-helix	trans	-65.2	-34.8	177.9	-61.9	-54.1	148.7	0	0	112.2	K77 K82 R83 A84 K89 S90	K77-E86 WeakPolarHBondContact CE-OE1 3.26Å; K77-E86 IonicContact NZ-OE1 2.87Å; K77-E86 PolarHBondContact NZ-OE1 2.9Å; K82-E86 HydrophobicContact CG-CG 4.36Å; K82-E86 WeakPolarHBondContact O-CG 3.36Å; K82-E86 PolarHBondContact O-N 2.89Å; R83-E86 PolarHBondContact O-N 3.5Å; A84-E86 PolarHBondContact O-N 3.23Å; E86-K89 PolarHBondContact O-N 2.91Å; E86-S90 PolarHBondContact O-N 3.37Å; E86-S90 PolarHBondContact O-OG 3.49Å
87	S	94.5	Very high	91.6	Very high	8 Å²	8	42.1 Å²	42.1	6%	0.056	22%	0.218	C	C	.	.	H	α-helix	trans	-60.8	-45.5	170.1	-68.1	0	0	0	0	111.6	R83 A84 Y85 K89 S90 L91 L224 C227 L228	R83-S87 PolarHBondContact O-N 2.95Å; R83-S87 PolarHBondContact O-OG 3.43Å; A84-S87 WeakPolarHBondContact O-CB 3.39Å; A84-S87 PolarHBondContact O-N 3Å; Y85-S87 VanDerWaalsContact C-N 3.33Å; Y85-S87 PolarHBondContact O-N 3.25Å; S87-K89 PolarHBondContact O-N 3.45Å; S87-S90 WeakPolarHBondContact O-CB 3.07Å; S87-S90 PolarHBondContact O-N 3.44Å; S87-L91 PolarHBondContact O-N 3.39Å; S87-L224 WeakPolarHBondContact O-CD1 3.47Å; S87-C227 WeakPolarHBondContact OG-CB 3.25Å; S87-L228 PolarHBondContact OG-N 3.41Å
88	L	94.9	Very high	91.8	Very high	23 Å²	23	42.4 Å²	42.4	12%	0.12	22%	0.22	C	C	.	.	H	α-helix	trans	-64.7	-38.8	177.6	-63.6	176.4	0	0	0	112	I80 A84 Y85 S90 L91 R92 Y109 L112 I113 I116	I80-L88 HydrophobicContact CD1-CD1 3.34Å; I80-L88 HydrophobicContact CD1-CG 4.41Å; A84-L88 WeakPolarHBondContact O-CG 3.32Å; A84-L88 PolarHBondContact O-N 3.33Å; Y85-L88 PolarHBondContact O-N 3.04Å; Y85-L88 VanDerWaalsContact O-N 3.14Å; L88-S90 VanDerWaalsContact C-N 3.34Å; L88-L91 WeakPolarHBondContact O-CB 3.5Å; L88-L91 PolarHBondContact O-N 3.28Å; L88-R92 PolarHBondContact O-N 3.03Å; L88-Y109 HydrophobicContact CB-CE2 4.07Å; L88-Y109 WeakPolarHBondContact O-CE2 3.38Å; L88-L112 HydrophobicContact CD2-CD1 4.36Å; L88-L112 HydrophobicContact CD2-CD2 3.79Å; L88-L112 HydrophobicContact CD2-CG 4.17Å; L88-I113 HydrophobicContact CD1-CD1 3.68Å; L88-I116 HydrophobicContact CD1-CD1 3.51Å; L88-I116 HydrophobicContact CD2-CD1 3.86Å; L88-I116 HydrophobicContact CG-CD1 4.34Å
89	K	94.2	Very high	92.4	Very high	60 Å²	60	38.9 Å²	38.9	26%	0.261	19%	0.193	S	C	.	.	H	α-helix	trans	-62.9	-41.8	175.3	-169.2	172.9	-176	168.6	0	111.4	Y85 E86 S87 L91 R92 S93	Y85-K89 HydrophobicContact CE1-CD 4.47Å; Y85-K89 PolarHBondContact O-N 3.17Å; E86-K89 PolarHBondContact O-N 2.91Å; S87-K89 PolarHBondContact O-N 3.45Å; K89-L91 VanDerWaalsContact C-N 3.31Å; K89-L91 PolarHBondContact O-N 3.41Å; K89-R92 WeakPolarHBondContact O-CB 3.19Å; K89-R92 PolarHBondContact O-N 2.88Å; K89-R92 VanDerWaalsContact O-N 3.13Å; K89-S93 PolarHBondContact O-N 3.25Å; K89-S93 PolarHBondContact O-OG 2.87Å
90	S	95.3	Very high	92.9	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-40.8	175.1	-49.5	0	0	0	0	111.9	E86 S87 L88 S93 L94 H223	E86-S90 PolarHBondContact O-N 3.37Å; E86-S90 PolarHBondContact O-OG 3.49Å; S87-S90 WeakPolarHBondContact O-CB 3.07Å; S87-S90 PolarHBondContact O-N 3.44Å; L88-S90 VanDerWaalsContact C-N 3.34Å; S90-S93 PolarHBondContact O-N 2.87Å; S90-L94 WeakPolarHBondContact O-CG 2.94Å; S90-L94 PolarHBondContact O-N 2.87Å; S90-H223 PolarHBondContact OG-ND1 2.83Å
91	L	95.3	Very high	93.2	Very high	33 Å²	33	43.6 Å²	43.6	17%	0.173	22%	0.216	C	C	.	.	H	α-helix	trans	-63	-41.2	173.4	-179.1	61	0	0	0	111.7	S87 L88 K89 S93 L94 M95 L112 F204	S87-L91 PolarHBondContact O-N 3.39Å; L88-L91 WeakPolarHBondContact O-CB 3.5Å; L88-L91 PolarHBondContact O-N 3.28Å; K89-L91 VanDerWaalsContact C-N 3.31Å; K89-L91 PolarHBondContact O-N 3.41Å; L91-S93 VanDerWaalsContact C-N 3.33Å; L91-S93 PolarHBondContact O-N 3.25Å; L91-L94 PolarHBondContact O-N 3.47Å; L91-M95 HydrophobicContact CG-CE 4.31Å; L91-M95 WeakPolarHBondContact O-CG 3.37Å; L91-M95 PolarHBondContact O-N 2.87Å; L91-L112 HydrophobicContact CD2-CD2 3.93Å; L91-F204 HydrophobicContact CD1-CE1 4.45Å; L91-F204 HydrophobicContact CD1-CZ 4.15Å
92	R	95.5	Very high	93.3	Very high	38 Å²	38	45.7 Å²	45.7	14%	0.143	22%	0.217	C	C	.	.	H	α-helix	trans	-57.7	-44.6	173	-174.3	-177.2	171.8	-179	-8.8	111.6	L88 K89 M95 K96 V105 Y109	L88-R92 PolarHBondContact O-N 3.03Å; K89-R92 WeakPolarHBondContact O-CB 3.19Å; K89-R92 PolarHBondContact O-N 2.88Å; K89-R92 VanDerWaalsContact O-N 3.13Å; R92-M95 HydrophobicContact CB-CE 4.42Å; R92-M95 PolarHBondContact O-N 3.43Å; R92-K96 PolarHBondContact O-N 2.97Å; R92-V105 HydrophobicContact CG-CG1 4.26Å; R92-Y109 HydrophobicContact CB-CD2 3.65Å; R92-Y109 HydrophobicContact CB-CE2 3.81Å; R92-Y109 HydrophobicContact CB-CG 4.21Å; R92-Y109 HydrophobicContact CG-CD1 4.48Å; R92-Y109 HydrophobicContact CG-CD2 3.96Å; R92-Y109 HydrophobicContact CG-CE2 4.4Å; R92-Y109 HydrophobicContact CG-CG 3.99Å
93	S	96.1	Very high	93.5	Very high	19 Å²	19	45.7 Å²	45.7	13%	0.133	22%	0.217	C	C	.	.	H	α-helix	trans	-62.6	-42.6	176.7	-58.9	0	0	0	0	112.1	K89 S90 L91 M95 K96 L97 Y220	K89-S93 PolarHBondContact O-N 3.25Å; K89-S93 PolarHBondContact O-OG 2.87Å; S90-S93 PolarHBondContact O-N 2.87Å; L91-S93 VanDerWaalsContact C-N 3.33Å; L91-S93 PolarHBondContact O-N 3.25Å; S93-M95 VanDerWaalsContact C-N 3.34Å; S93-M95 PolarHBondContact O-N 3.45Å; S93-K96 PolarHBondContact O-N 2.97Å; S93-L97 WeakPolarHBondContact O-CG 3.38Å; S93-L97 PolarHBondContact O-N 2.84Å; S93-Y220 VanDerWaalsContact CB-CD1 3.46Å
94	L	95	Very high	93.6	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-61.1	-42.3	174	-70	170.9	0	0	0	111.8	S90 L91 L97 F204 V208 K217 L224	S90-L94 WeakPolarHBondContact O-CG 2.94Å; S90-L94 PolarHBondContact O-N 2.87Å; L91-L94 PolarHBondContact O-N 3.47Å; L94-L97 PolarHBondContact O-N 3.35Å; L94-F204 HydrophobicContact CB-CE2 4.4Å; L94-F204 HydrophobicContact CB-CZ 4.21Å; L94-V208 HydrophobicContact CD1-CG1 4.29Å; L94-V208 HydrophobicContact CD2-CG1 4.3Å; L94-V208 HydrophobicContact CD2-CG2 4.26Å; L94-K217 HydrophobicContact CD2-CB 4.31Å; L94-K217 WeakPolarHBondContact CD2-O 3.26Å; L94-L224 HydrophobicContact CD1-CD2 3.86Å
95	M	94.8	Very high	93.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.4	-41.6	175.5	-70.3	-173.9	-58.9	0	0	112.1	L91 R92 S93 L97 H98 I99 V105 L108 Y109 I199 F204	L91-M95 HydrophobicContact CG-CE 4.31Å; L91-M95 WeakPolarHBondContact O-CG 3.37Å; L91-M95 PolarHBondContact O-N 2.87Å; R92-M95 HydrophobicContact CB-CE 4.42Å; R92-M95 PolarHBondContact O-N 3.43Å; S93-M95 VanDerWaalsContact C-N 3.34Å; S93-M95 PolarHBondContact O-N 3.45Å; M95-L97 PolarHBondContact O-N 2.97Å; M95-H98 PolarHBondContact O-N 3.48Å; M95-I99 HydrophobicContact CB-CD1 4.04Å; M95-I99 HydrophobicContact CG-CD1 4.3Å; M95-I99 PolarHBondContact O-N 3.35Å; M95-V105 HydrophobicContact CB-CG1 3.98Å; M95-L108 HydrophobicContact SD-CD2 3.5Å; M95-L108 WeakPolarHBondContact SD-CD2 3.48Å; M95-L108 HydrophobicContact SD-CG 4.1Å; M95-Y109 HydrophobicContact CE-CD2 4.31Å; M95-I199 HydrophobicContact SD-CG2 4.09Å; M95-F204 HydrophobicContact CG-CE2 4.02Å; M95-F204 HydrophobicContact CG-CZ 4.04Å
96	K	94.7	Very high	93.9	Very high	59 Å²	59	49.4 Å²	49.4	26%	0.257	24%	0.236	S	C	.	.	H	α-helix	trans	-60.6	-29	178.4	-173.7	167.3	170	164.8	0	113.3	D22 R92 S93 K100 E102 V105	D22-K96 IonicContact OD1-NZ 3.27Å; D22-K96 PolarHBondContact OD1-NZ 2.93Å; R92-K96 PolarHBondContact O-N 2.97Å; S93-K96 PolarHBondContact O-N 2.97Å; K96-K100 PolarHBondContact O-NZ 3.19Å; K96-E102 WeakPolarHBondContact CE-OE1 3.35Å; K96-E102 IonicContact NZ-OE1 2.76Å; K96-E102 PolarHBondContact NZ-OE1 2.93Å; K96-E102 IonicContact NZ-OE2 3.71Å; K96-V105 HydrophobicContact CB-CG1 4.21Å
97	L	91.4	Very high	93.9	Very high	51 Å²	51	50.9 Å²	50.9	27%	0.267	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-9.8	177.2	-65.2	176.3	0	0	0	114	S93 L94 M95 T216 K217 Y220	S93-L97 WeakPolarHBondContact O-CG 3.38Å; S93-L97 PolarHBondContact O-N 2.84Å; L94-L97 PolarHBondContact O-N 3.35Å; M95-L97 PolarHBondContact O-N 2.97Å; L97-T216 HydrophobicContact CD1-CG2 3.88Å; L97-T216 HydrophobicContact CD2-CG2 4.39Å; L97-K217 HydrophobicContact CB-CD 4.46Å; L97-K217 HydrophobicContact CB-CG 4.05Å; L97-K217 HydrophobicContact CD1-CB 4.4Å; L97-K217 HydrophobicContact CD1-CG 3.53Å; L97-K217 HydrophobicContact CG-CG 4.44Å; L97-K217 WeakPolarHBondContact O-CE 3.31Å; L97-Y220 HydrophobicContact CD1-CD2 3.64Å; L97-Y220 HydrophobicContact CD1-CE2 3.86Å
98	H	90	Very high	93.9	Very high	57 Å²	57	50.8 Å²	50.8	26%	0.264	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-41.3	-179.1	-175.4	76.3	0	0	0	112.7	M95 E203 F204 S207	M95-H98 PolarHBondContact O-N 3.48Å; H98-E203 PolarHBondContact CE1-O 2.9Å; H98-F204 HydrophobicContact CB-CD2 3.8Å; H98-F204 HydrophobicContact CB-CE2 4.25Å; H98-F204 AromaticContact CD2-CD2 3.74Å; H98-F204 AromaticContact CG-CD2 3.78Å; H98-F204 WeakPolarHBondContact NE2-CA 3.09Å; H98-F204 PolarHBondContact NE2-N 2.85Å; H98-S207 PolarHBondContact ND1-OG 2.86Å; H98-S207 VanDerWaalsContact ND1-OG 3.08Å
99	I	92.3	Very high	93.9	Very high	25 Å²	25	50.3 Å²	50.3	13%	0.128	24%	0.238	C	C	.	.	S	Bend	trans	-96.8	132.2	-172.9	-54.4	167.4	0	0	0	109.3	M95 D104 V105 L108 I198	M95-I99 HydrophobicContact CB-CD1 4.04Å; M95-I99 HydrophobicContact CG-CD1 4.3Å; M95-I99 PolarHBondContact O-N 3.35Å; I99-D104 HydrophobicContact CG2-CB 3.88Å; I99-V105 HydrophobicContact CB-CG2 3.69Å; I99-V105 HydrophobicContact CG2-CG2 4.01Å; I99-L108 HydrophobicContact CD1-CD2 3.66Å; I99-I198 HydrophobicContact CD1-CG2 3.51Å; I99-I198 HydrophobicContact CG1-CG2 4.31Å
100	K	91.1	Very high	93.8	Very high	147 Å²	147	50.6 Å²	50.6	64%	0.639	24%	0.24	S	C	*	.	S	Bend	trans	-130.3	143.2	170.5	-59.8	-62.5	178.5	-159.1	0	108.8	K96	K96-K100 PolarHBondContact O-NZ 3.19Å
101	P	93.8	Very high	93.7	Very high	66 Å²	66	51.3 Å²	51.3	43%	0.429	24%	0.243	S	C	.	.	S	Bend	cis	-75.9	167.9	-1.1	29.6	-36	0	0	0	114.6	K103 D104	P101-K103 HydrophobicContact CB-CG 4.07Å; P101-K103 HydrophobicContact CG-CD 4.08Å; P101-K103 VanDerWaalsContact CG-CE 3.48Å; P101-K103 HydrophobicContact CG-CG 3.62Å; P101-K103 PolarHBondContact O-N 3.34Å; P101-D104 WeakPolarHBondContact CD-OD2 3.28Å; P101-D104 WeakPolarHBondContact O-CB 3.48Å; P101-D104 PolarHBondContact O-N 2.97Å
102	E	91.2	Very high	93.7	Very high	76 Å²	76	50.8 Å²	50.8	36%	0.355	24%	0.24	S	C	.	.	H	α-helix	trans	-60.4	-28.1	-177.7	-178.8	163.7	-174.7	0	0	113.8	K96 D104 V105 K106	K96-E102 WeakPolarHBondContact CE-OE1 3.35Å; K96-E102 IonicContact NZ-OE1 2.76Å; K96-E102 PolarHBondContact NZ-OE1 2.93Å; K96-E102 IonicContact NZ-OE2 3.71Å; E102-D104 PolarHBondContact O-N 3.33Å; E102-V105 WeakPolarHBondContact O-CB 3.37Å; E102-V105 PolarHBondContact O-N 3.11Å; E102-V105 VanDerWaalsContact O-N 3.14Å; E102-K106 PolarHBondContact O-N 3.04Å
103	K	93.4	Very high	93.5	Very high	147 Å²	147	49.4 Å²	49.4	64%	0.639	24%	0.235	S	C	*	.	H	α-helix	trans	-56.3	-35	174	62.6	170.9	-167.4	178.5	0	112.8	P101 V105 K106 Q107	P101-K103 HydrophobicContact CB-CG 4.07Å; P101-K103 HydrophobicContact CG-CD 4.08Å; P101-K103 VanDerWaalsContact CG-CE 3.48Å; P101-K103 HydrophobicContact CG-CG 3.62Å; P101-K103 PolarHBondContact O-N 3.34Å; K103-V105 VanDerWaalsContact C-N 3.34Å; K103-K106 PolarHBondContact O-N 3.18Å; K103-Q107 WeakPolarHBondContact O-CB 3.44Å; K103-Q107 PolarHBondContact O-N 3.44Å
104	D	94.1	Very high	93.2	Very high	74 Å²	74	51.1 Å²	51.1	40%	0.396	24%	0.24	S	C	.	.	H	α-helix	trans	-71.4	-36.2	-178.2	-66.1	-2.9	0	0	0	110.2	I99 P101 E102 Q107 L108	I99-D104 HydrophobicContact CG2-CB 3.88Å; P101-D104 WeakPolarHBondContact CD-OD2 3.28Å; P101-D104 WeakPolarHBondContact O-CB 3.48Å; P101-D104 PolarHBondContact O-N 2.97Å; E102-D104 PolarHBondContact O-N 3.33Å; D104-Q107 PolarHBondContact O-N 3Å; D104-L108 VanDerWaalsContact O-CB 3.23Å; D104-L108 WeakPolarHBondContact O-CB 3.17Å; D104-L108 PolarHBondContact O-N 3.48Å
105	V	95.4	Very high	93	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.012	24%	0.242	C	C	.	.	H	α-helix	trans	-65.1	-46	174	-178.9	0	0	0	0	110.7	R92 M95 K96 I99 E102 K103 Q107 L108 Y109	R92-V105 HydrophobicContact CG-CG1 4.26Å; M95-V105 HydrophobicContact CB-CG1 3.98Å; K96-V105 HydrophobicContact CB-CG1 4.21Å; I99-V105 HydrophobicContact CB-CG2 3.69Å; I99-V105 HydrophobicContact CG2-CG2 4.01Å; E102-V105 WeakPolarHBondContact O-CB 3.37Å; E102-V105 PolarHBondContact O-N 3.11Å; E102-V105 VanDerWaalsContact O-N 3.14Å; K103-V105 VanDerWaalsContact C-N 3.34Å; V105-Q107 VanDerWaalsContact C-N 3.33Å; V105-Q107 PolarHBondContact O-N 3.48Å; V105-L108 PolarHBondContact O-N 2.9Å; V105-Y109 WeakPolarHBondContact O-CB 3.45Å; V105-Y109 PolarHBondContact O-N 2.73Å
106	K	94	Very high	92.8	Very high	109 Å²	109	54.1 Å²	54.1	47%	0.474	26%	0.256	S	S	.	.	H	α-helix	trans	-58.6	-46.8	176.8	-69.9	-174.9	179.1	-172.3	0	110.6	E102 K103 Y109 K110	E102-K106 PolarHBondContact O-N 3.04Å; K103-K106 PolarHBondContact O-N 3.18Å; K106-Y109 PolarHBondContact O-N 3.23Å; K106-K110 WeakPolarHBondContact O-CB 3.41Å; K106-K110 PolarHBondContact O-N 3.32Å
107	Q	93.8	Very high	92.4	Very high	68 Å²	68	51.4 Å²	51.4	32%	0.318	25%	0.245	S	C	.	.	H	α-helix	trans	-63.7	-43.7	178.4	-171.5	66.3	11	0	0	112.3	K103 D104 V105 K110 H111	K103-Q107 WeakPolarHBondContact O-CB 3.44Å; K103-Q107 PolarHBondContact O-N 3.44Å; D104-Q107 PolarHBondContact O-N 3Å; V105-Q107 VanDerWaalsContact C-N 3.33Å; V105-Q107 PolarHBondContact O-N 3.48Å; Q107-K110 WeakPolarHBondContact O-CB 3.36Å; Q107-K110 PolarHBondContact O-N 3.41Å; Q107-H111 PolarHBondContact NE2-NE2 3.16Å; Q107-H111 VanDerWaalsContact O-CG 3.28Å; Q107-H111 PolarHBondContact O-N 3.25Å
108	L	94.9	Very high	92.1	Very high	6 Å²	6	50.1 Å²	50.1	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-43	178.7	-164.6	63.4	0	0	0	111.7	M95 I99 D104 V105 H111 L112 L195 I198	M95-L108 HydrophobicContact SD-CD2 3.5Å; M95-L108 WeakPolarHBondContact SD-CD2 3.48Å; M95-L108 HydrophobicContact SD-CG 4.1Å; I99-L108 HydrophobicContact CD1-CD2 3.66Å; D104-L108 VanDerWaalsContact O-CB 3.23Å; D104-L108 WeakPolarHBondContact O-CB 3.17Å; D104-L108 PolarHBondContact O-N 3.48Å; V105-L108 PolarHBondContact O-N 2.9Å; L108-H111 WeakPolarHBondContact O-CB 3.3Å; L108-H111 PolarHBondContact O-N 2.83Å; L108-L112 PolarHBondContact O-N 2.67Å; L108-L195 HydrophobicContact CD1-CB 4.03Å; L108-L195 HydrophobicContact CD1-CD1 3.67Å; L108-L195 HydrophobicContact CD1-CG 4.48Å; L108-L195 HydrophobicContact CD2-CD1 4.44Å; L108-L195 HydrophobicContact CG-CD1 3.66Å; L108-I198 HydrophobicContact CD1-CG1 4.4Å; L108-I198 HydrophobicContact CD2-CB 3.93Å; L108-I198 HydrophobicContact CD2-CG1 4.35Å; L108-I198 HydrophobicContact CD2-CG2 3.57Å
109	Y	95.2	Very high	92.1	Very high	13 Å²	13	48.7 Å²	48.7	5%	0.051	23%	0.231	C	C	.	.	H	α-helix	trans	-64.5	-42.5	174.9	-171.3	-109.5	0	0	0	111.8	L88 R92 M95 V105 K106 H111 L112 I113	L88-Y109 HydrophobicContact CB-CE2 4.07Å; L88-Y109 WeakPolarHBondContact O-CE2 3.38Å; R92-Y109 HydrophobicContact CB-CD2 3.65Å; R92-Y109 HydrophobicContact CB-CE2 3.81Å; R92-Y109 HydrophobicContact CB-CG 4.21Å; R92-Y109 HydrophobicContact CG-CD1 4.48Å; R92-Y109 HydrophobicContact CG-CD2 3.96Å; R92-Y109 HydrophobicContact CG-CE2 4.4Å; R92-Y109 HydrophobicContact CG-CG 3.99Å; M95-Y109 HydrophobicContact CE-CD2 4.31Å; V105-Y109 WeakPolarHBondContact O-CB 3.45Å; V105-Y109 PolarHBondContact O-N 2.73Å; K106-Y109 PolarHBondContact O-N 3.23Å; Y109-H111 VanDerWaalsContact C-N 3.29Å; Y109-H111 PolarHBondContact O-N 3.05Å; Y109-L112 HydrophobicContact CD2-CD2 4.34Å; Y109-L112 WeakPolarHBondContact O-CB 3.41Å; Y109-L112 PolarHBondContact O-N 3.31Å; Y109-L112 VanDerWaalsContact O-N 3.12Å; Y109-I113 HydrophobicContact CD1-CG1 4.16Å; Y109-I113 HydrophobicContact CE1-CD1 4.22Å; Y109-I113 HydrophobicContact CE1-CG1 3.82Å; Y109-I113 HydrophobicContact CE2-CD1 4.19Å; Y109-I113 HydrophobicContact CE2-CG1 4.39Å; Y109-I113 WeakPolarHBondContact O-CG1 3.49Å; Y109-I113 PolarHBondContact O-N 3.07Å
110	K	92	Very high	91.8	Very high	67 Å²	67	48.6 Å²	48.6	29%	0.291	24%	0.237	S	C	.	.	H	α-helix	trans	-57.3	-42.2	173.1	-173.9	176.3	-176.6	177.2	0	111.2	K106 Q107 K114	K106-K110 WeakPolarHBondContact O-CB 3.41Å; K106-K110 PolarHBondContact O-N 3.32Å; Q107-K110 WeakPolarHBondContact O-CB 3.36Å; Q107-K110 PolarHBondContact O-N 3.41Å; K110-K114 HydrophobicContact CG-CD 4.4Å; K110-K114 WeakPolarHBondContact O-CB 3.34Å; K110-K114 WeakPolarHBondContact O-CG 3.25Å; K110-K114 PolarHBondContact O-N 3.42Å
111	H	93.5	Very high	91.5	Very high	18 Å²	18	41.8 Å²	41.8	8%	0.083	21%	0.207	C	C	.	.	H	α-helix	trans	-63.9	-41.7	175	-65.4	163.2	0	0	0	112.7	Q107 L108 Y109 T115 R191	Q107-H111 PolarHBondContact NE2-NE2 3.16Å; Q107-H111 VanDerWaalsContact O-CG 3.28Å; Q107-H111 PolarHBondContact O-N 3.25Å; L108-H111 WeakPolarHBondContact O-CB 3.3Å; L108-H111 PolarHBondContact O-N 2.83Å; Y109-H111 VanDerWaalsContact C-N 3.29Å; Y109-H111 PolarHBondContact O-N 3.05Å; H111-T115 WeakPolarHBondContact O-CB 3.24Å; H111-T115 PolarHBondContact O-N 3.35Å; H111-T115 PolarHBondContact O-OG1 3.03Å; H111-R191 WeakPolarHBondContact NE2-CD 3.42Å
112	L	95.1	Very high	91.1	Very high	22 Å²	22	38.9 Å²	38.9	12%	0.115	19%	0.188	C	C	.	.	H	α-helix	trans	-60.2	-51.5	175.9	174.8	59.6	0	0	0	111.6	L88 L91 L108 Y109 K114 T115 I116 L195	L88-L112 HydrophobicContact CD2-CD1 4.36Å; L88-L112 HydrophobicContact CD2-CD2 3.79Å; L88-L112 HydrophobicContact CD2-CG 4.17Å; L91-L112 HydrophobicContact CD2-CD2 3.93Å; L108-L112 PolarHBondContact O-N 2.67Å; Y109-L112 HydrophobicContact CD2-CD2 4.34Å; Y109-L112 WeakPolarHBondContact O-CB 3.41Å; Y109-L112 PolarHBondContact O-N 3.31Å; Y109-L112 VanDerWaalsContact O-N 3.12Å; L112-K114 PolarHBondContact O-N 2.89Å; L112-T115 WeakPolarHBondContact O-CB 3.49Å; L112-T115 PolarHBondContact O-N 3.4Å; L112-I116 HydrophobicContact CD1-CD1 3.95Å; L112-I116 HydrophobicContact CD1-CG1 4.4Å; L112-I116 HydrophobicContact CG-CD1 4.22Å; L112-I116 WeakPolarHBondContact O-CG1 3.5Å; L112-I116 PolarHBondContact O-N 2.83Å; L112-L195 HydrophobicContact CB-CD1 4.13Å; L112-L195 HydrophobicContact CB-CD2 3.78Å; L112-L195 HydrophobicContact CD1-CD2 3.88Å; L112-L195 HydrophobicContact CG-CD2 4.41Å
113	I	92.5	Very high	90.8	Very high	8 Å²	8	37.7 Å²	37.7	4%	0.041	19%	0.189	C	C	.	.	H	α-helix	trans	-61.5	-46.4	179	-63	-50.9	0	0	0	111.4	L70 I76 L88 Y109 T115 I116 G117	L70-I113 HydrophobicContact CB-CG2 3.97Å; I76-I113 HydrophobicContact CD1-CD1 4.42Å; I76-I113 HydrophobicContact CD1-CG1 4.22Å; I76-I113 HydrophobicContact CD1-CG2 3.61Å; I76-I113 HydrophobicContact CG1-CG2 3.82Å; I76-I113 HydrophobicContact CG2-CD1 4.09Å; I76-I113 HydrophobicContact CG2-CG2 4.43Å; L88-I113 HydrophobicContact CD1-CD1 3.68Å; Y109-I113 HydrophobicContact CD1-CG1 4.16Å; Y109-I113 HydrophobicContact CE1-CD1 4.22Å; Y109-I113 HydrophobicContact CE1-CG1 3.82Å; Y109-I113 HydrophobicContact CE2-CD1 4.19Å; Y109-I113 HydrophobicContact CE2-CG1 4.39Å; Y109-I113 WeakPolarHBondContact O-CG1 3.49Å; Y109-I113 PolarHBondContact O-N 3.07Å; I113-T115 VanDerWaalsContact C-N 3.27Å; I113-T115 PolarHBondContact O-N 2.91Å; I113-I116 PolarHBondContact O-N 3.46Å; I113-G117 PolarHBondContact O-N 3.02Å
114	K	88.8	Confident	90.3	Very high	55 Å²	55	37.5 Å²	37.5	24%	0.239	19%	0.188	C	C	.	.	H	α-helix	trans	-61	-36.5	176.5	-76.3	-173.8	175.7	-169.5	0	112	K110 L112 G117 K118	K110-K114 HydrophobicContact CG-CD 4.4Å; K110-K114 WeakPolarHBondContact O-CB 3.34Å; K110-K114 WeakPolarHBondContact O-CG 3.25Å; K110-K114 PolarHBondContact O-N 3.42Å; L112-K114 PolarHBondContact O-N 2.89Å; K114-G117 PolarHBondContact O-N 3.08Å; K114-K118 WeakPolarHBondContact O-CB 3.34Å; K114-K118 WeakPolarHBondContact O-CG 3.38Å; K114-K118 PolarHBondContact O-N 2.83Å
115	T	91.2	Very high	89.7	Confident	10 Å²	10	34.7 Å²	34.7	6%	0.061	17%	0.172	C	C	.	.	H	α-helix	trans	-65.5	-50.1	178.1	-59.7	0	0	0	0	110.9	H111 L112 I113 G117 K118 I119 I176 I192	H111-T115 WeakPolarHBondContact O-CB 3.24Å; H111-T115 PolarHBondContact O-N 3.35Å; H111-T115 PolarHBondContact O-OG1 3.03Å; L112-T115 WeakPolarHBondContact O-CB 3.49Å; L112-T115 PolarHBondContact O-N 3.4Å; I113-T115 VanDerWaalsContact C-N 3.27Å; I113-T115 PolarHBondContact O-N 2.91Å; T115-G117 VanDerWaalsContact C-N 3.29Å; T115-G117 PolarHBondContact O-N 3.37Å; T115-K118 PolarHBondContact O-N 3.2Å; T115-I119 HydrophobicContact CG2-CD1 4.03Å; T115-I119 WeakPolarHBondContact O-CG1 3.34Å; T115-I119 PolarHBondContact O-N 2.83Å; T115-I176 HydrophobicContact CG2-CG2 4.13Å; T115-I192 HydrophobicContact CG2-CD1 3.87Å; T115-I192 HydrophobicContact CG2-CG1 3.77Å; T115-I192 WeakPolarHBondContact OG1-CG1 3.34Å
116	I	91.4	Very high	88.7	Confident	56 Å²	56	41.7 Å²	41.7	29%	0.287	21%	0.205	S	C	.	.	H	α-helix	trans	-58.6	-44.4	176.5	-64.4	167.7	0	0	0	110.5	I80 L88 L112 I113 K118 I119 G120	I80-I116 HydrophobicContact CG2-CG2 3.66Å; L88-I116 HydrophobicContact CD1-CD1 3.51Å; L88-I116 HydrophobicContact CD2-CD1 3.86Å; L88-I116 HydrophobicContact CG-CD1 4.34Å; L112-I116 HydrophobicContact CD1-CD1 3.95Å; L112-I116 HydrophobicContact CD1-CG1 4.4Å; L112-I116 HydrophobicContact CG-CD1 4.22Å; L112-I116 WeakPolarHBondContact O-CG1 3.5Å; L112-I116 PolarHBondContact O-N 2.83Å; I113-I116 PolarHBondContact O-N 3.46Å; I116-K118 PolarHBondContact O-N 2.89Å; I116-I119 PolarHBondContact O-N 3.16Å; I116-G120 PolarHBondContact O-N 2.88Å
117	G	86	Confident	88.1	Confident	3 Å²	3	41.6 Å²	41.6	3%	0.031	21%	0.209	C	C	.	.	H	α-helix	trans	-57.3	-48.5	175.5	0	0	0	0	0	114.3	I113 K114 T115 G120 V121	I113-G117 PolarHBondContact O-N 3.02Å; K114-G117 PolarHBondContact O-N 3.08Å; T115-G117 VanDerWaalsContact C-N 3.29Å; T115-G117 PolarHBondContact O-N 3.37Å; G117-G120 CarbonylContact O-C 3.54Å; G117-G120 WeakPolarHBondContact O-CA 3.48Å; G117-G120 PolarHBondContact O-N 3.03Å; G117-G120 VanDerWaalsContact O-N 3.15Å; G117-V121 WeakPolarHBondContact O-CG2 3.39Å; G117-V121 PolarHBondContact O-N 2.85Å
118	K	85.5	Confident	87.7	Confident	23 Å²	23	39.3 Å²	39.3	10%	0.1	20%	0.199	C	C	.	.	H	α-helix	trans	-64.8	-42.4	-180	-73.9	172.2	-178.8	-164.9	0	111.7	K63 K114 T115 I116 G120 V121 I122 L184 S188	K63-K118 HydrophobicContact CG-CG 4.45Å; K114-K118 WeakPolarHBondContact O-CB 3.34Å; K114-K118 WeakPolarHBondContact O-CG 3.38Å; K114-K118 PolarHBondContact O-N 2.83Å; T115-K118 PolarHBondContact O-N 3.2Å; I116-K118 PolarHBondContact O-N 2.89Å; K118-G120 VanDerWaalsContact C-N 3.28Å; K118-G120 PolarHBondContact O-N 2.79Å; K118-V121 PolarHBondContact O-N 3.03Å; K118-V121 VanDerWaalsContact O-N 3.16Å; K118-I122 VanDerWaalsContact O-CG1 3.28Å; K118-I122 WeakPolarHBondContact O-CG1 3.43Å; K118-I122 PolarHBondContact O-N 3.12Å; K118-L184 HydrophobicContact CB-CD1 4.18Å; K118-L184 HydrophobicContact CB-CD2 4.35Å; K118-L184 HydrophobicContact CD-CD1 3.62Å; K118-L184 HydrophobicContact CD-CD2 3.76Å; K118-L184 HydrophobicContact CD-CG 4.37Å; K118-L184 HydrophobicContact CG-CD1 4.45Å; K118-L184 HydrophobicContact CG-CD2 4.22Å; K118-S188 PolarHBondContact NZ-OG 2.84Å
119	I	88.9	Confident	87.5	Confident	27 Å²	27	42.6 Å²	42.6	14%	0.138	22%	0.22	C	C	.	.	H	α-helix	trans	-61.2	-40.3	172.4	-63.7	166.9	0	0	0	110.3	T115 I116 V121 I122 S123 I176 V180	T115-I119 HydrophobicContact CG2-CD1 4.03Å; T115-I119 WeakPolarHBondContact O-CG1 3.34Å; T115-I119 PolarHBondContact O-N 2.83Å; I116-I119 PolarHBondContact O-N 3.16Å; I119-V121 VanDerWaalsContact C-N 3.32Å; I119-V121 PolarHBondContact O-N 2.55Å; I119-I122 PolarHBondContact O-N 2.99Å; I119-S123 WeakPolarHBondContact O-CB 3.25Å; I119-S123 PolarHBondContact O-N 2.92Å; I119-S123 PolarHBondContact O-OG 2.69Å; I119-S123 VanDerWaalsContact O-OG 3.06Å; I119-I176 HydrophobicContact CD1-CD1 4.47Å; I119-I176 HydrophobicContact CD1-CG1 4.21Å; I119-I176 HydrophobicContact CD1-CG2 4.04Å; I119-V180 HydrophobicContact CG1-CG1 3.87Å
120	G	86.7	Confident	87.3	Confident	23 Å²	23	49.9 Å²	49.9	24%	0.237	25%	0.254	C	S	.	.	H	α-helix	trans	-62.2	-34.2	174.3	0	0	0	0	0	113.9	I116 G117 K118 S123 K124	I116-G120 PolarHBondContact O-N 2.88Å; G117-G120 CarbonylContact O-C 3.54Å; G117-G120 WeakPolarHBondContact O-CA 3.48Å; G117-G120 PolarHBondContact O-N 3.03Å; G117-G120 VanDerWaalsContact O-N 3.15Å; K118-G120 VanDerWaalsContact C-N 3.28Å; K118-G120 PolarHBondContact O-N 2.79Å; G120-S123 WeakPolarHBondContact CA-OG 3.38Å; G120-S123 PolarHBondContact O-OG 3.07Å; G120-S123 VanDerWaalsContact O-OG 3.07Å; G120-K124 WeakPolarHBondContact O-CG 3.37Å
121	V	83.3	Confident	87.3	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.024	27%	0.266	C	S	.	.	H	α-helix	trans	-72.6	-46.1	173.8	173.1	0	0	0	0	110.9	F59 Q62 V66 G117 K118 I119 S123 K124 Q125	F59-V121 HydrophobicContact CD2-CG1 4.35Å; F59-V121 HydrophobicContact CE2-CG1 3.93Å; Q62-V121 HydrophobicContact CB-CG1 4.47Å; Q62-V121 HydrophobicContact CG-CG1 4.26Å; V66-V121 HydrophobicContact CB-CG2 3.49Å; V66-V121 VanDerWaalsContact CB-CG2 3.49Å; V66-V121 HydrophobicContact CG1-CG2 3.65Å; V66-V121 HydrophobicContact CG2-CG2 3.32Å; G117-V121 WeakPolarHBondContact O-CG2 3.39Å; G117-V121 PolarHBondContact O-N 2.85Å; K118-V121 PolarHBondContact O-N 3.03Å; K118-V121 VanDerWaalsContact O-N 3.16Å; I119-V121 VanDerWaalsContact C-N 3.32Å; I119-V121 PolarHBondContact O-N 2.55Å; V121-S123 VanDerWaalsContact C-N 3.33Å; V121-S123 PolarHBondContact O-N 2.94Å; V121-K124 PolarHBondContact O-N 2.95Å; V121-Q125 PolarHBondContact O-NE2 2.94Å
122	I	86	Confident	87.2	Confident	5 Å²	5	51.7 Å²	51.7	3%	0.026	26%	0.264	C	S	.	.	H	α-helix	trans	-58.5	-48.2	178.6	-67.5	163.2	0	0	0	109.3	F59 K118 I119 K124 Q125 L128 I136 V180 Y183	F59-I122 HydrophobicContact CE2-CG1 4.31Å; F59-I122 HydrophobicContact CZ-CG1 4.03Å; K118-I122 VanDerWaalsContact O-CG1 3.28Å; K118-I122 WeakPolarHBondContact O-CG1 3.43Å; K118-I122 PolarHBondContact O-N 3.12Å; I119-I122 PolarHBondContact O-N 2.99Å; I122-K124 PolarHBondContact O-N 3.36Å; I122-Q125 WeakPolarHBondContact O-CB 3.38Å; I122-Q125 VanDerWaalsContact O-CG 3.31Å; I122-Q125 WeakPolarHBondContact O-CG 3.16Å; I122-Q125 PolarHBondContact O-N 3.27Å; I122-L128 HydrophobicContact CG2-CD2 4.05Å; I122-L128 WeakPolarHBondContact O-CD1 3.22Å; I122-L128 WeakPolarHBondContact O-CD2 3.33Å; I122-I136 HydrophobicContact CG2-CD1 4.47Å; I122-V180 HydrophobicContact CD1-CB 4.22Å; I122-V180 HydrophobicContact CD1-CG1 3.98Å; I122-Y183 HydrophobicContact CD1-CD2 3.84Å; I122-Y183 HydrophobicContact CD1-CG 4Å; I122-Y183 HydrophobicContact CG1-CD2 4.08Å; I122-Y183 HydrophobicContact CG1-CG 3.99Å; I122-Y183 HydrophobicContact CG2-CD2 4Å; I122-Y183 HydrophobicContact CG2-CE2 3.87Å
123	S	85.1	Confident	87	Confident	52 Å²	52	56.1 Å²	56.1	36%	0.364	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-11.4	-179.3	61	0	0	0	0	115.5	I119 G120 V121	I119-S123 WeakPolarHBondContact O-CB 3.25Å; I119-S123 PolarHBondContact O-N 2.92Å; I119-S123 PolarHBondContact O-OG 2.69Å; I119-S123 VanDerWaalsContact O-OG 3.06Å; G120-S123 WeakPolarHBondContact CA-OG 3.38Å; G120-S123 PolarHBondContact O-OG 3.07Å; G120-S123 VanDerWaalsContact O-OG 3.07Å; V121-S123 VanDerWaalsContact C-N 3.33Å; V121-S123 PolarHBondContact O-N 2.94Å
124	K	83.3	Confident	87.2	Confident	142 Å²	142	59.4 Å²	59.4	62%	0.617	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	3.9	176.5	-68.2	179.8	-178.9	-176.6	0	113.5	G120 V121 I122	G120-K124 WeakPolarHBondContact O-CG 3.37Å; V121-K124 PolarHBondContact O-N 2.95Å; I122-K124 PolarHBondContact O-N 3.36Å
125	Q	80.1	Confident	87.5	Confident	15 Å²	15	57.2 Å²	57.2	7%	0.07	29%	0.291	C	S	.	.			trans	-71.4	143.6	177.9	-62.3	-50.3	-55.4	0	0	111.4	F59 V121 I122 N127 L128	F59-Q125 HydrophobicContact CD2-CG 3.71Å; F59-Q125 HydrophobicContact CE2-CG 3.61Å; V121-Q125 PolarHBondContact O-NE2 2.94Å; I122-Q125 WeakPolarHBondContact O-CB 3.38Å; I122-Q125 VanDerWaalsContact O-CG 3.31Å; I122-Q125 WeakPolarHBondContact O-CG 3.16Å; I122-Q125 PolarHBondContact O-N 3.27Å; Q125-N127 VanDerWaalsContact C-N 3.33Å; Q125-L128 HydrophobicContact CB-CD2 3.96Å; Q125-L128 HydrophobicContact CB-CG 4.07Å
126	Q	75.3	Confident	87.5	Confident	150 Å²	150	57.3 Å²	57.3	70%	0.701	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-19	-177.9	-66.1	-175.6	-10.7	0	0	113.2
127	N	81.6	Confident	87.7	Confident	107 Å²	107	58.4 Å²	58.4	57%	0.572	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	40.8	-173.9	-65.2	-58.7	0	0	0	112.2	Q55 Q125	Q55-N127 PolarHBondContact OE1-ND2 2.89Å; Q125-N127 VanDerWaalsContact C-N 3.33Å
128	L	85.8	Confident	88.1	Confident	19 Å²	19	61.3 Å²	61.3	10%	0.099	31%	0.311	C	S	.	.			trans	-71	136.6	173	-68	179.6	0	0	0	110.7	I122 Q125 D132 Y133 I136	I122-L128 HydrophobicContact CG2-CD2 4.05Å; I122-L128 WeakPolarHBondContact O-CD1 3.22Å; I122-L128 WeakPolarHBondContact O-CD2 3.33Å; Q125-L128 HydrophobicContact CB-CD2 3.96Å; Q125-L128 HydrophobicContact CB-CG 4.07Å; L128-D132 HydrophobicContact CB-CB 4.05Å; L128-D132 HydrophobicContact CD2-CB 3.84Å; L128-D132 HydrophobicContact CG-CB 4.42Å; L128-Y133 HydrophobicContact CB-CD2 4.14Å; L128-Y133 HydrophobicContact CB-CE1 4.32Å; L128-Y133 HydrophobicContact CB-CE2 3.58Å; L128-Y133 HydrophobicContact CD1-CD1 4.41Å; L128-Y133 HydrophobicContact CD1-CE1 3.91Å; L128-I136 HydrophobicContact CD1-CD1 3.93Å
129	T	90.2	Very high	88.6	Confident	75 Å²	75	60.8 Å²	60.8	46%	0.46	31%	0.309	S	S	.	.			trans	-78	165.7	172.8	68.2	0	0	0	0	110.9	E131 D132 Y133	T129-E131 PolarHBondContact O-N 3.21Å; T129-D132 WeakPolarHBondContact CB-OD2 3.48Å; T129-D132 PolarHBondContact N-OD2 3.29Å; T129-D132 WeakPolarHBondContact O-CB 3.19Å; T129-D132 PolarHBondContact O-N 3.3Å; T129-D132 VanDerWaalsContact O-N 3.13Å; T129-D132 PolarHBondContact OG1-N 3.38Å; T129-D132 PolarHBondContact OG1-OD2 3.4Å; T129-Y133 WeakPolarHBondContact O-CD2 3.47Å; T129-Y133 PolarHBondContact O-N 3.35Å; T129-Y133 VanDerWaalsContact O-N 3.15Å
130	E	91.5	Very high	88.8	Confident	167 Å²	167	65.5 Å²	65.5	78%	0.78	33%	0.328	S	S	*	.	H	α-helix	trans	-59.4	-35.6	173.2	-172.5	176.6	-176.1	0	0	112.2	Y133 T134	E130-Y133 PolarHBondContact O-N 3.46Å; E130-T134 WeakPolarHBondContact O-CB 3.45Å; E130-T134 PolarHBondContact O-N 3.47Å; E130-T134 PolarHBondContact O-OG1 3.03Å
131	E	92.2	Very high	89.2	Confident	113 Å²	113	69.1 Å²	69.1	53%	0.528	34%	0.342	S	S	.	.	H	α-helix	trans	-64	-41	174.4	-169.8	-177.8	169.8	0	0	111.3	T129 Y133 T134 N135 Q178	T129-E131 PolarHBondContact O-N 3.21Å; E131-Y133 PolarHBondContact O-N 3.32Å; E131-T134 WeakPolarHBondContact O-CB 3.2Å; E131-T134 PolarHBondContact O-N 3.14Å; E131-N135 WeakPolarHBondContact O-CB 3.41Å; E131-N135 VanDerWaalsContact O-CG 3.23Å; E131-N135 PolarHBondContact O-N 2.97Å; E131-N135 PolarHBondContact O-ND2 3.15Å; E131-Q178 PolarHBondContact OE1-NE2 3.42Å
132	D	90.7	Very high	89.8	Confident	9 Å²	9	72.6 Å²	72.6	5%	0.048	36%	0.355	C	S	.	.	H	α-helix	trans	-61.9	-45.2	176.7	-62.8	-60.8	0	0	0	111.9	L128 T129 T134 N135 I136 Y183	L128-D132 HydrophobicContact CB-CB 4.05Å; L128-D132 HydrophobicContact CD2-CB 3.84Å; L128-D132 HydrophobicContact CG-CB 4.42Å; T129-D132 WeakPolarHBondContact CB-OD2 3.48Å; T129-D132 PolarHBondContact N-OD2 3.29Å; T129-D132 WeakPolarHBondContact O-CB 3.19Å; T129-D132 PolarHBondContact O-N 3.3Å; T129-D132 VanDerWaalsContact O-N 3.13Å; T129-D132 PolarHBondContact OG1-N 3.38Å; T129-D132 PolarHBondContact OG1-OD2 3.4Å; D132-T134 VanDerWaalsContact C-N 3.31Å; D132-T134 PolarHBondContact O-N 3.24Å; D132-N135 PolarHBondContact O-N 2.75Å; D132-I136 WeakPolarHBondContact O-CB 3.26Å; D132-I136 WeakPolarHBondContact O-CD1 3.44Å; D132-I136 WeakPolarHBondContact O-CG1 3.45Å; D132-I136 PolarHBondContact O-N 2.98Å; D132-Y183 VanDerWaalsContact OD1-CE2 3.26Å; D132-Y183 WeakPolarHBondContact OD1-CE2 3.37Å; D132-Y183 PolarHBondContact OD1-OH 3.16Å; D132-Y183 PolarHBondContact OD2-OH 2.87Å
133	Y	92	Very high	90.2	Very high	115 Å²	115	75 Å²	75	45%	0.451	37%	0.372	S	S	.	.	H	α-helix	trans	-62.6	-40.8	176.7	-74	-67.8	0	0	0	111.8	L128 T129 E130 E131 I136 N137	L128-Y133 HydrophobicContact CB-CD2 4.14Å; L128-Y133 HydrophobicContact CB-CE1 4.32Å; L128-Y133 HydrophobicContact CB-CE2 3.58Å; L128-Y133 HydrophobicContact CD1-CD1 4.41Å; L128-Y133 HydrophobicContact CD1-CE1 3.91Å; T129-Y133 WeakPolarHBondContact O-CD2 3.47Å; T129-Y133 PolarHBondContact O-N 3.35Å; T129-Y133 VanDerWaalsContact O-N 3.15Å; E130-Y133 PolarHBondContact O-N 3.46Å; E131-Y133 PolarHBondContact O-N 3.32Å; Y133-I136 PolarHBondContact O-N 3Å; Y133-N137 WeakPolarHBondContact O-CB 3.4Å; Y133-N137 VanDerWaalsContact O-CG 3.29Å; Y133-N137 PolarHBondContact O-N 2.9Å; Y133-N137 PolarHBondContact O-ND2 3.28Å
134	T	95.2	Very high	90.6	Very high	77 Å²	77	75.9 Å²	75.9	47%	0.472	37%	0.368	S	S	.	.	H	α-helix	trans	-60.5	-51.4	176	-58.7	0	0	0	0	110.5	E130 E131 D132 I136 N137 E138	E130-T134 WeakPolarHBondContact O-CB 3.45Å; E130-T134 PolarHBondContact O-N 3.47Å; E130-T134 PolarHBondContact O-OG1 3.03Å; E131-T134 WeakPolarHBondContact O-CB 3.2Å; E131-T134 PolarHBondContact O-N 3.14Å; D132-T134 VanDerWaalsContact C-N 3.31Å; D132-T134 PolarHBondContact O-N 3.24Å; T134-I136 PolarHBondContact O-N 2.89Å; T134-N137 PolarHBondContact O-N 3.42Å; T134-E138 PolarHBondContact O-N 3.49Å
135	N	94.6	Very high	91.2	Very high	9 Å²	9	71.7 Å²	71.7	5%	0.048	35%	0.354	C	S	.	.	H	α-helix	trans	-61.3	-41.9	178.5	-69.8	-25.6	0	0	0	112.3	E131 D132 E138 I139 I175 A179	E131-N135 WeakPolarHBondContact O-CB 3.41Å; E131-N135 VanDerWaalsContact O-CG 3.23Å; E131-N135 PolarHBondContact O-N 2.97Å; E131-N135 PolarHBondContact O-ND2 3.15Å; D132-N135 PolarHBondContact O-N 2.75Å; N135-E138 PolarHBondContact O-N 3.46Å; N135-I139 VanDerWaalsContact O-CG1 3.24Å; N135-I139 WeakPolarHBondContact O-CG1 3.4Å; N135-I139 PolarHBondContact O-N 3.17Å; N135-I175 HydrophobicContact CB-CD1 4.22Å; N135-I175 WeakPolarHBondContact OD1-CD1 3.46Å; N135-A179 HydrophobicContact CB-CB 3.8Å
136	I	92.7	Very high	92	Very high	13 Å²	13	71.9 Å²	71.9	7%	0.067	36%	0.355	C	S	.	.	H	α-helix	trans	-64.8	-41.9	177.9	-71.8	162.6	0	0	0	111.2	I122 L128 D132 Y133 T134 I139 K140	I122-I136 HydrophobicContact CG2-CD1 4.47Å; L128-I136 HydrophobicContact CD1-CD1 3.93Å; D132-I136 WeakPolarHBondContact O-CB 3.26Å; D132-I136 WeakPolarHBondContact O-CD1 3.44Å; D132-I136 WeakPolarHBondContact O-CG1 3.45Å; D132-I136 PolarHBondContact O-N 2.98Å; Y133-I136 PolarHBondContact O-N 3Å; T134-I136 PolarHBondContact O-N 2.89Å; I136-I139 PolarHBondContact O-N 3.31Å; I136-K140 WeakPolarHBondContact O-CG 3.41Å; I136-K140 PolarHBondContact O-N 3.42Å; I136-K140 VanDerWaalsContact O-N 3.17Å
137	N	94.1	Very high	92.9	Very high	79 Å²	79	64.9 Å²	64.9	42%	0.422	32%	0.323	S	S	.	.	H	α-helix	trans	-67.2	-41.6	176.9	-73.1	-23.6	0	0	0	111	Y133 T134 I139 K140 D141	Y133-N137 WeakPolarHBondContact O-CB 3.4Å; Y133-N137 VanDerWaalsContact O-CG 3.29Å; Y133-N137 PolarHBondContact O-N 2.9Å; Y133-N137 PolarHBondContact O-ND2 3.28Å; T134-N137 PolarHBondContact O-N 3.42Å; N137-I139 PolarHBondContact O-N 2.9Å; N137-K140 WeakPolarHBondContact O-CB 3.41Å; N137-K140 PolarHBondContact O-N 3.25Å; N137-K140 VanDerWaalsContact O-N 3.07Å; N137-K140 PolarHBondContact OD1-NZ 3.16Å; N137-D141 PolarHBondContact O-N 2.98Å
138	E	96.3	Very high	93.6	Very high	64 Å²	64	63.7 Å²	63.7	30%	0.299	32%	0.317	S	S	.	.	H	α-helix	trans	-63.8	-39.2	175.4	-174.2	162.3	-169.4	0	0	112	T134 N135 K140 D141 R142 I175	T134-E138 PolarHBondContact O-N 3.49Å; N135-E138 PolarHBondContact O-N 3.46Å; E138-K140 VanDerWaalsContact C-N 3.27Å; E138-K140 PolarHBondContact O-N 2.97Å; E138-D141 PolarHBondContact O-N 3.35Å; E138-R142 HydrophobicContact CG-CG 3.95Å; E138-R142 WeakPolarHBondContact O-CB 3.41Å; E138-R142 WeakPolarHBondContact O-CG 3.34Å; E138-R142 PolarHBondContact O-N 3.07Å; E138-R142 IonicContact OE1-CZ 3.45Å; E138-R142 IonicContact OE1-NE 3.16Å; E138-R142 PolarHBondContact OE1-NE 2.86Å; E138-R142 VanDerWaalsContact OE1-NE 3.16Å; E138-R142 IonicContact OE1-NH2 2.83Å; E138-R142 PolarHBondContact OE1-NH2 3.24Å; E138-I175 HydrophobicContact CB-CD1 4.21Å; E138-I175 HydrophobicContact CB-CG1 3.97Å; E138-I175 HydrophobicContact CG-CD1 4.22Å; E138-I175 HydrophobicContact CG-CG1 3.91Å
139	I	95.7	Very high	94	Very high	12 Å²	12	63.3 Å²	63.3	6%	0.062	32%	0.315	C	S	.	.	H	α-helix	trans	-56	-43	171.8	-71.7	164.5	0	0	0	111	N135 I136 N137 S143 I175 I176 A179	N135-I139 VanDerWaalsContact O-CG1 3.24Å; N135-I139 WeakPolarHBondContact O-CG1 3.4Å; N135-I139 PolarHBondContact O-N 3.17Å; I136-I139 PolarHBondContact O-N 3.31Å; N137-I139 PolarHBondContact O-N 2.9Å; I139-S143 WeakPolarHBondContact O-CB 3.47Å; I139-S143 PolarHBondContact O-N 3.03Å; I139-S143 PolarHBondContact O-OG 3.13Å; I139-I175 HydrophobicContact CG1-CG1 4.07Å; I139-I175 HydrophobicContact CG1-CG2 3.86Å; I139-I176 HydrophobicContact CD1-CG1 3.99Å; I139-I176 HydrophobicContact CG1-CG1 3.86Å; I139-I176 HydrophobicContact CG2-CG1 4.21Å; I139-A179 HydrophobicContact CD1-CB 3.53Å
140	K	93.2	Very high	94.3	Very high	125 Å²	125	61 Å²	61	54%	0.543	30%	0.3	S	S	.	.	H	α-helix	trans	-63.8	-46.3	178	-67.9	170.6	-172.9	166.6	0	111.2	I136 N137 E138 S143 R144	I136-K140 WeakPolarHBondContact O-CG 3.41Å; I136-K140 PolarHBondContact O-N 3.42Å; I136-K140 VanDerWaalsContact O-N 3.17Å; N137-K140 WeakPolarHBondContact O-CB 3.41Å; N137-K140 PolarHBondContact O-N 3.25Å; N137-K140 VanDerWaalsContact O-N 3.07Å; N137-K140 PolarHBondContact OD1-NZ 3.16Å; E138-K140 VanDerWaalsContact C-N 3.27Å; E138-K140 PolarHBondContact O-N 2.97Å; K140-S143 PolarHBondContact O-N 2.84Å; K140-R144 WeakPolarHBondContact O-CB 3.25Å; K140-R144 PolarHBondContact O-N 3.41Å
141	D	94.6	Very high	94.4	Very high	100 Å²	100	53.8 Å²	53.8	54%	0.535	27%	0.266	S	S	.	.	H	α-helix	trans	-66.4	-43.3	-177.9	-68.8	-19.4	0	0	0	111.7	N137 E138 R144 T145	N137-D141 PolarHBondContact O-N 2.98Å; E138-D141 PolarHBondContact O-N 3.35Å; D141-R144 WeakPolarHBondContact O-CB 3.35Å; D141-R144 PolarHBondContact O-N 2.97Å; D141-T145 PolarHBondContact O-N 2.96Å; D141-T145 PolarHBondContact O-OG1 3.18Å; D141-T145 VanDerWaalsContact O-OG1 3.06Å
142	R	95.9	Very high	94.5	Very high	76 Å²	76	51 Å²	51	29%	0.287	26%	0.259	S	S	.	.	H	α-helix	trans	-64.1	-44.1	174.3	-62.1	-65.3	176.4	179.7	1.3	111.4	E138 R144 T145 I146 D171 C172 I175	E138-R142 HydrophobicContact CG-CG 3.95Å; E138-R142 WeakPolarHBondContact O-CB 3.41Å; E138-R142 WeakPolarHBondContact O-CG 3.34Å; E138-R142 PolarHBondContact O-N 3.07Å; E138-R142 IonicContact OE1-CZ 3.45Å; E138-R142 IonicContact OE1-NE 3.16Å; E138-R142 PolarHBondContact OE1-NE 2.86Å; E138-R142 VanDerWaalsContact OE1-NE 3.16Å; E138-R142 IonicContact OE1-NH2 2.83Å; E138-R142 PolarHBondContact OE1-NH2 3.24Å; R142-R144 VanDerWaalsContact C-N 3.29Å; R142-R144 PolarHBondContact O-N 3.36Å; R142-T145 PolarHBondContact O-N 3.3Å; R142-I146 WeakPolarHBondContact O-CG1 3.36Å; R142-I146 PolarHBondContact O-N 2.9Å; R142-D171 IonicContact NH1-OD2 3.77Å; R142-C172 HydrophobicContact CB-CB 4.2Å; R142-I175 HydrophobicContact CG-CG2 4.41Å
143	S	94.4	Very high	94.6	Very high	56 Å²	56	51.5 Å²	51.5	39%	0.392	26%	0.261	S	S	.	.	H	α-helix	trans	-60.6	-39.6	176.5	-61.1	0	0	0	0	111.8	I139 K140 G147	I139-S143 WeakPolarHBondContact O-CB 3.47Å; I139-S143 PolarHBondContact O-N 3.03Å; I139-S143 PolarHBondContact O-OG 3.13Å; K140-S143 PolarHBondContact O-N 2.84Å; S143-G147 PolarHBondContact O-N 3.48Å
144	R	93.4	Very high	94.6	Very high	70 Å²	70	47.8 Å²	47.8	26%	0.264	25%	0.254	S	S	.	.	H	α-helix	trans	-63.5	-48.6	174.4	-177.5	-174.8	-178.5	80.7	1.2	111.2	K140 D141 R142 I146 G147 L148 M232 T235	K140-R144 WeakPolarHBondContact O-CB 3.25Å; K140-R144 PolarHBondContact O-N 3.41Å; D141-R144 WeakPolarHBondContact O-CB 3.35Å; D141-R144 PolarHBondContact O-N 2.97Å; R142-R144 VanDerWaalsContact C-N 3.29Å; R142-R144 PolarHBondContact O-N 3.36Å; R144-I146 VanDerWaalsContact C-N 3.34Å; R144-I146 PolarHBondContact O-N 3.04Å; R144-G147 PolarHBondContact O-N 3.07Å; R144-G147 VanDerWaalsContact O-N 3.13Å; R144-L148 HydrophobicContact CG-CD1 4.22Å; R144-L148 WeakPolarHBondContact O-CG 3.44Å; R144-L148 PolarHBondContact O-N 3.39Å; R144-M232 HydrophobicContact CB-SD 4.28Å; R144-M232 HydrophobicContact CG-SD 3.79Å; R144-M232 PolarHBondContact NH1-O 3.15Å; R144-T235 PolarHBondContact NH1-O 3.41Å; R144-T235 PolarHBondContact NH1-OG1 2.8Å
145	T	95.4	Very high	94.3	Very high	55 Å²	55	49.8 Å²	49.8	34%	0.337	26%	0.258	S	S	.	.	H	α-helix	trans	-60.3	-42.6	178.8	-62.5	0	0	0	0	111.8	D141 R142 L148 T149	D141-T145 PolarHBondContact O-N 2.96Å; D141-T145 PolarHBondContact O-OG1 3.18Å; D141-T145 VanDerWaalsContact O-OG1 3.06Å; R142-T145 PolarHBondContact O-N 3.3Å; T145-L148 PolarHBondContact O-N 3.44Å; T145-T149 WeakPolarHBondContact O-CB 3.44Å; T145-T149 PolarHBondContact O-N 2.89Å; T145-T149 PolarHBondContact O-OG1 3.06Å
146	I	96.9	Very high	94	Very high	18 Å²	18	53 Å²	53	9%	0.092	28%	0.278	C	S	.	.	H	α-helix	trans	-60.9	-46.3	173.1	-69.3	161.3	0	0	0	110.6	R142 R144 L148 T149 I150 Q168 L169 C172	R142-I146 WeakPolarHBondContact O-CG1 3.36Å; R142-I146 PolarHBondContact O-N 2.9Å; R144-I146 VanDerWaalsContact C-N 3.34Å; R144-I146 PolarHBondContact O-N 3.04Å; I146-L148 PolarHBondContact O-N 3.45Å; I146-T149 WeakPolarHBondContact O-CB 3.42Å; I146-T149 PolarHBondContact O-N 3.42Å; I146-T149 VanDerWaalsContact O-N 3.16Å; I146-I150 HydrophobicContact CG2-CD1 3.78Å; I146-I150 HydrophobicContact CG2-CG1 4.35Å; I146-I150 WeakPolarHBondContact O-CG1 3.48Å; I146-I150 PolarHBondContact O-N 3.21Å; I146-Q168 HydrophobicContact CG1-CB 3.91Å; I146-L169 HydrophobicContact CD1-CD2 4.02Å; I146-L169 HydrophobicContact CG2-CD2 4.19Å; I146-C172 HydrophobicContact CD1-CB 3.47Å; I146-C172 VanDerWaalsContact CD1-CB 3.47Å
147	G	95.4	Very high	93.4	Very high	3 Å²	3	58.3 Å²	58.3	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	-57.2	-46.7	177.3	0	0	0	0	0	112.7	S143 R144 T149 I150 I151	S143-G147 PolarHBondContact O-N 3.48Å; R144-G147 PolarHBondContact O-N 3.07Å; R144-G147 VanDerWaalsContact O-N 3.13Å; G147-T149 VanDerWaalsContact C-N 3.34Å; G147-T149 PolarHBondContact O-N 2.9Å; G147-I150 PolarHBondContact O-N 2.92Å; G147-I151 WeakPolarHBondContact O-CD1 3.11Å; G147-I151 VanDerWaalsContact O-CG1 3.22Å; G147-I151 WeakPolarHBondContact O-CG1 3.44Å; G147-I151 PolarHBondContact O-N 3.33Å
148	L	95	Very high	92.9	Very high	82 Å²	82	65.4 Å²	65.4	43%	0.429	33%	0.329	S	S	.	.	H	α-helix	trans	-64.7	-37.2	176.1	-68.8	172.3	0	0	0	112.4	R144 T145 I146 I151 S152 M232	R144-L148 HydrophobicContact CG-CD1 4.22Å; R144-L148 WeakPolarHBondContact O-CG 3.44Å; R144-L148 PolarHBondContact O-N 3.39Å; T145-L148 PolarHBondContact O-N 3.44Å; I146-L148 PolarHBondContact O-N 3.45Å; L148-I151 PolarHBondContact O-N 2.98Å; L148-S152 WeakPolarHBondContact O-CB 3.46Å; L148-S152 PolarHBondContact O-N 3.27Å; L148-M232 HydrophobicContact CD2-CB 4.33Å; L148-M232 HydrophobicContact CD2-CG 4.19Å; L148-M232 HydrophobicContact CG-CG 4.49Å
149	T	95.3	Very high	92.6	Very high	11 Å²	11	64.7 Å²	64.7	7%	0.067	33%	0.329	C	S	.	.	H	α-helix	trans	-64.5	-47	176.4	-58.5	0	0	0	0	111.1	T145 I146 G147 I151 S152 F153 F164 I165	T145-T149 WeakPolarHBondContact O-CB 3.44Å; T145-T149 PolarHBondContact O-N 2.89Å; T145-T149 PolarHBondContact O-OG1 3.06Å; I146-T149 WeakPolarHBondContact O-CB 3.42Å; I146-T149 PolarHBondContact O-N 3.42Å; I146-T149 VanDerWaalsContact O-N 3.16Å; G147-T149 VanDerWaalsContact C-N 3.34Å; G147-T149 PolarHBondContact O-N 2.9Å; T149-I151 VanDerWaalsContact C-N 3.31Å; T149-I151 PolarHBondContact O-N 2.88Å; T149-S152 PolarHBondContact O-N 3.14Å; T149-F153 HydrophobicContact CG2-CD1 4.31Å; T149-F153 HydrophobicContact CG2-CD2 4.05Å; T149-F153 HydrophobicContact CG2-CE1 4.03Å; T149-F153 HydrophobicContact CG2-CE2 3.77Å; T149-F153 HydrophobicContact CG2-CG 4.34Å; T149-F153 HydrophobicContact CG2-CZ 3.76Å; T149-F153 WeakPolarHBondContact O-CB 3.32Å; T149-F153 WeakPolarHBondContact O-CG 3.39Å; T149-F153 PolarHBondContact O-N 3.45Å; T149-F164 HydrophobicContact CG2-CD1 3.81Å; T149-F164 HydrophobicContact CG2-CE1 3.72Å; T149-I165 HydrophobicContact CG2-CB 4.27Å; T149-I165 HydrophobicContact CG2-CD1 4.37Å; T149-I165 HydrophobicContact CG2-CG1 4.31Å
150	I	95.2	Very high	92.5	Very high	28 Å²	28	66.8 Å²	66.8	14%	0.144	34%	0.337	C	S	.	.	H	α-helix	trans	-57.8	-46	175.9	-70.2	167.5	0	0	0	110.4	I146 G147 F153 A154 I165 Y209 L224 L228	I146-I150 HydrophobicContact CG2-CD1 3.78Å; I146-I150 HydrophobicContact CG2-CG1 4.35Å; I146-I150 WeakPolarHBondContact O-CG1 3.48Å; I146-I150 PolarHBondContact O-N 3.21Å; G147-I150 PolarHBondContact O-N 2.92Å; I150-F153 PolarHBondContact O-N 3.38Å; I150-A154 VanDerWaalsContact O-CB 3.28Å; I150-A154 WeakPolarHBondContact O-CB 3.49Å; I150-A154 PolarHBondContact O-N 2.95Å; I150-I165 HydrophobicContact CG1-CD1 4.04Å; I150-Y209 WeakPolarHBondContact CA-OH 3.42Å; I150-Y209 WeakPolarHBondContact CG2-OH 3.37Å; I150-L224 HydrophobicContact CG2-CD2 4.15Å; I150-L224 HydrophobicContact CG2-CG 4.39Å; I150-L228 HydrophobicContact CB-CD1 3.95Å; I150-L228 HydrophobicContact CD1-CD1 4.17Å; I150-L228 HydrophobicContact CG2-CD1 3.56Å
151	I	94.3	Very high	92.6	Very high	15 Å²	15	64.6 Å²	64.6	8%	0.077	33%	0.331	C	S	.	.	H	α-helix	trans	-59.7	-50.5	177.5	-67.6	162.1	0	0	0	110.5	G147 L148 T149 F153 A154 Q155 T225 L228 M232	G147-I151 WeakPolarHBondContact O-CD1 3.11Å; G147-I151 VanDerWaalsContact O-CG1 3.22Å; G147-I151 WeakPolarHBondContact O-CG1 3.44Å; G147-I151 PolarHBondContact O-N 3.33Å; L148-I151 PolarHBondContact O-N 2.98Å; T149-I151 VanDerWaalsContact C-N 3.31Å; T149-I151 PolarHBondContact O-N 2.88Å; I151-F153 PolarHBondContact O-N 3.13Å; I151-A154 PolarHBondContact O-N 3.47Å; I151-Q155 VanDerWaalsContact CG2-CD 3.5Å; I151-Q155 HydrophobicContact CG2-CG 4.29Å; I151-Q155 WeakPolarHBondContact O-CB 3.45Å; I151-Q155 VanDerWaalsContact O-CG 3.29Å; I151-Q155 WeakPolarHBondContact O-CG 3.23Å; I151-Q155 PolarHBondContact O-N 2.91Å; I151-T225 HydrophobicContact CB-CG2 4.32Å; I151-T225 HydrophobicContact CG1-CG2 4.17Å; I151-T225 HydrophobicContact CG2-CG2 4.14Å; I151-L228 HydrophobicContact CD1-CB 3.87Å; I151-L228 HydrophobicContact CG1-CB 3.91Å; I151-M232 HydrophobicContact CD1-CG 4.06Å
152	S	93.4	Very high	92.7	Very high	53 Å²	53	62.1 Å²	62.1	37%	0.371	31%	0.314	S	S	.	.	H	α-helix	trans	-58.7	-46.7	-178.8	-175.8	0	0	0	0	112	L148 T149 A154 Q155 T156	L148-S152 WeakPolarHBondContact O-CB 3.46Å; L148-S152 PolarHBondContact O-N 3.27Å; T149-S152 PolarHBondContact O-N 3.14Å; S152-A154 VanDerWaalsContact C-N 3.34Å; S152-A154 PolarHBondContact O-N 3.42Å; S152-Q155 PolarHBondContact O-N 3.35Å; S152-T156 PolarHBondContact O-N 2.76Å
153	F	93.8	Very high	92.7	Very high	21 Å²	21	64 Å²	64	9%	0.092	33%	0.33	C	S	.	.	H	α-helix	trans	-67.8	-32.6	-179.2	-73.1	4.5	0	0	0	112.8	T149 I150 I151 T159 Y160 N161 F164 I165 Y209	T149-F153 HydrophobicContact CG2-CD1 4.31Å; T149-F153 HydrophobicContact CG2-CD2 4.05Å; T149-F153 HydrophobicContact CG2-CE1 4.03Å; T149-F153 HydrophobicContact CG2-CE2 3.77Å; T149-F153 HydrophobicContact CG2-CG 4.34Å; T149-F153 HydrophobicContact CG2-CZ 3.76Å; T149-F153 WeakPolarHBondContact O-CB 3.32Å; T149-F153 WeakPolarHBondContact O-CG 3.39Å; T149-F153 PolarHBondContact O-N 3.45Å; I150-F153 PolarHBondContact O-N 3.38Å; I151-F153 PolarHBondContact O-N 3.13Å; F153-T159 HydrophobicContact CD1-CG2 3.77Å; F153-T159 WeakPolarHBondContact CD1-O 3.27Å; F153-T159 HydrophobicContact CE1-CG2 4.07Å; F153-T159 VanDerWaalsContact CE1-O 3.23Å; F153-T159 WeakPolarHBondContact CE1-O 3.35Å; F153-Y160 AromaticContact CD2-CD2 3.81Å; F153-Y160 HydrophobicContact CD2-CD2 3.81Å; F153-Y160 HydrophobicContact CE2-CD2 4.11Å; F153-N161 WeakPolarHBondContact CE2-O 3.29Å; F153-N161 HydrophobicContact CZ-CB 3.94Å; F153-F164 HydrophobicContact CZ-CB 4.45Å; F153-F164 AromaticContact CZ-CD1 3.83Å; F153-F164 HydrophobicContact CZ-CD1 3.83Å; F153-I165 HydrophobicContact CD2-CB 4.5Å; F153-I165 HydrophobicContact CD2-CD1 4.38Å; F153-I165 HydrophobicContact CE2-CB 3.84Å; F153-I165 HydrophobicContact CE2-CG2 4.1Å; F153-Y209 HydrophobicContact CB-CD1 4Å; F153-Y209 HydrophobicContact CB-CE1 3.52Å
154	A	91.2	Very high	92.9	Very high	37 Å²	37	65.4 Å²	65.4	31%	0.306	33%	0.329	S	S	.	.	H	α-helix	trans	-81.9	-25.6	179.2	0	0	0	0	0	113.7	I150 I151 S152 Y209 L221 T225	I150-A154 VanDerWaalsContact O-CB 3.28Å; I150-A154 WeakPolarHBondContact O-CB 3.49Å; I150-A154 PolarHBondContact O-N 2.95Å; I151-A154 PolarHBondContact O-N 3.47Å; S152-A154 VanDerWaalsContact C-N 3.34Å; S152-A154 PolarHBondContact O-N 3.42Å; A154-Y209 HydrophobicContact CB-CE1 4.31Å; A154-L221 HydrophobicContact CB-CD1 4.12Å; A154-L221 HydrophobicContact CB-CD2 4.04Å; A154-L221 HydrophobicContact CB-CG 3.91Å; A154-T225 HydrophobicContact CB-CG2 4.34Å; A154-T225 WeakPolarHBondContact CB-OG1 3.32Å
155	Q	89.9	Confident	93.1	Very high	119 Å²	119	62.2 Å²	62.2	56%	0.556	32%	0.317	S	S	*	.	H	α-helix	trans	-92.3	-20.9	-175.4	-72.9	-179	-15.6	0	0	113.8	I151 S152 T225	I151-Q155 VanDerWaalsContact CG2-CD 3.5Å; I151-Q155 HydrophobicContact CG2-CG 4.29Å; I151-Q155 WeakPolarHBondContact O-CB 3.45Å; I151-Q155 VanDerWaalsContact O-CG 3.29Å; I151-Q155 WeakPolarHBondContact O-CG 3.23Å; I151-Q155 PolarHBondContact O-N 2.91Å; S152-Q155 PolarHBondContact O-N 3.35Å; Q155-T225 HydrophobicContact CG-CG2 3.95Å
156	T	87.2	Confident	93.2	Very high	75 Å²	75	61.5 Å²	61.5	46%	0.46	31%	0.31	S	S	.	.	S	Bend	trans	-122.1	121.7	-174.7	-47.2	0	0	0	0	110.5	S152 T159	S152-T156 PolarHBondContact O-N 2.76Å; T156-T159 VanDerWaalsContact CB-OG1 3.25Å; T156-T159 WeakPolarHBondContact CB-OG1 3.47Å; T156-T159 WeakPolarHBondContact CG2-OG1 3.36Å; T156-T159 WeakPolarHBondContact O-CB 3.34Å; T156-T159 PolarHBondContact O-N 3.04Å; T156-T159 PolarHBondContact O-OG1 2.89Å
157	D	81.7	Confident	93.2	Very high	125 Å²	125	65.9 Å²	65.9	67%	0.668	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	145.7	176.8	-63.8	-36.3	0	0	0	111.1	T159	D157-T159 PolarHBondContact O-N 3.09Å; D157-T159 PolarHBondContact O-OG1 3.27Å
158	Y	83.1	Confident	93.3	Very high	229 Å²	229	66.6 Å²	66.6	90%	0.898	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	18.2	177.5	-49.2	-76.3	0	0	0	115.9
159	T	89.7	Confident	93.5	Very high	48 Å²	48	63.2 Å²	63.2	29%	0.294	32%	0.315	S	S	.	.			trans	-92.9	-16.6	180	-58.3	0	0	0	0	113.1	F153 T156 D157 N161	F153-T159 HydrophobicContact CD1-CG2 3.77Å; F153-T159 WeakPolarHBondContact CD1-O 3.27Å; F153-T159 HydrophobicContact CE1-CG2 4.07Å; F153-T159 VanDerWaalsContact CE1-O 3.23Å; F153-T159 WeakPolarHBondContact CE1-O 3.35Å; T156-T159 VanDerWaalsContact CB-OG1 3.25Å; T156-T159 WeakPolarHBondContact CB-OG1 3.47Å; T156-T159 WeakPolarHBondContact CG2-OG1 3.36Å; T156-T159 WeakPolarHBondContact O-CB 3.34Å; T156-T159 PolarHBondContact O-N 3.04Å; T156-T159 PolarHBondContact O-OG1 2.89Å; D157-T159 PolarHBondContact O-N 3.09Å; D157-T159 PolarHBondContact O-OG1 3.27Å; T159-N161 PolarHBondContact O-N 2.96Å; T159-N161 VanDerWaalsContact O-N 3.15Å
160	Y	93.8	Very high	93.6	Very high	57 Å²	57	64.6 Å²	64.6	22%	0.224	32%	0.321	C	S	.	.			trans	-57.2	120.1	179.4	170.1	-118	0	0	0	112	F153 Y162 I165 L205 D206 Y209	F153-Y160 AromaticContact CD2-CD2 3.81Å; F153-Y160 HydrophobicContact CD2-CD2 3.81Å; F153-Y160 HydrophobicContact CE2-CD2 4.11Å; Y160-Y162 WeakPolarHBondContact OH-CB 3.48Å; Y160-I165 HydrophobicContact CE2-CG2 4.3Å; Y160-L205 HydrophobicContact CE2-CB 4.25Å; Y160-L205 VanDerWaalsContact OH-CB 3.29Å; Y160-L205 WeakPolarHBondContact OH-CB 3.22Å; Y160-D206 WeakPolarHBondContact CE1-OD1 3.47Å; Y160-D206 PolarHBondContact OH-N 3.44Å; Y160-D206 PolarHBondContact OH-OD1 3.29Å; Y160-Y209 HydrophobicContact CD2-CD1 4.35Å; Y160-Y209 AromaticContact CD2-CD2 3.55Å; Y160-Y209 HydrophobicContact CD2-CD2 3.55Å; Y160-Y209 HydrophobicContact CD2-CE2 4.31Å; Y160-Y209 AromaticContact CD2-CG 3.58Å; Y160-Y209 HydrophobicContact CD2-CG 3.58Å; Y160-Y209 AromaticContact CE2-CD2 3.6Å; Y160-Y209 HydrophobicContact CE2-CD2 3.6Å; Y160-Y209 HydrophobicContact CE2-CE2 4.36Å; Y160-Y209 HydrophobicContact CE2-CG 4.06Å; Y160-Y209 VanDerWaalsContact CG-CB 3.48Å; Y160-Y209 HydrophobicContact CG-CD2 4.34Å; Y160-Y209 AromaticContact CG-CG 3.95Å; Y160-Y209 HydrophobicContact CG-CG 3.95Å
161	N	95.5	Very high	93.7	Very high	79 Å²	79	66.1 Å²	66.1	42%	0.422	33%	0.33	S	S	.	.			trans	-126.5	104.2	173	-179	-21.7	0	0	0	109.2	F153 T159 N163 F164 I165	F153-N161 WeakPolarHBondContact CE2-O 3.29Å; F153-N161 HydrophobicContact CZ-CB 3.94Å; T159-N161 PolarHBondContact O-N 2.96Å; T159-N161 VanDerWaalsContact O-N 3.15Å; N161-N163 PolarHBondContact O-N 3.45Å; N161-N163 PolarHBondContact OD1-N 3.13Å; N161-N163 VanDerWaalsContact OD1-N 3.1Å; N161-F164 HydrophobicContact CB-CB 4.02Å; N161-F164 PolarHBondContact O-N 2.91Å; N161-F164 PolarHBondContact OD1-N 3.42Å; N161-I165 PolarHBondContact O-N 3.34Å
162	Y	96	Very high	93.9	Very high	48 Å²	48	65.6 Å²	65.6	19%	0.188	33%	0.328	C	S	.	.	H	α-helix	trans	-53.1	-50	179.2	169.9	-108.2	0	0	0	112.5	Y160 F164 I165 K166 S200 K202 L205	Y160-Y162 WeakPolarHBondContact OH-CB 3.48Å; Y162-F164 VanDerWaalsContact C-N 3.27Å; Y162-F164 PolarHBondContact O-N 2.9Å; Y162-I165 WeakPolarHBondContact O-CG2 3.44Å; Y162-I165 PolarHBondContact O-N 2.75Å; Y162-K166 HydrophobicContact CE1-CB 4.43Å; Y162-K166 HydrophobicContact CE1-CG 4.46Å; Y162-K166 HydrophobicContact CE2-CB 4.17Å; Y162-K166 HydrophobicContact CE2-CG 4.48Å; Y162-K166 WeakPolarHBondContact O-CB 3.35Å; Y162-K166 PolarHBondContact O-N 3Å; Y162-S200 PolarHBondContact OH-O 3.43Å; Y162-K202 HydrophobicContact CD1-CD 4.32Å; Y162-K202 HydrophobicContact CD1-CG 4.08Å; Y162-K202 HydrophobicContact CD2-CB 4.13Å; Y162-K202 HydrophobicContact CD2-CG 3.87Å; Y162-K202 HydrophobicContact CE1-CB 4.15Å; Y162-K202 HydrophobicContact CE1-CD 4.34Å; Y162-K202 HydrophobicContact CE1-CG 4.08Å; Y162-K202 HydrophobicContact CE2-CB 3.62Å; Y162-K202 HydrophobicContact CE2-CG 3.88Å; Y162-K202 HydrophobicContact CG-CG 3.98Å; Y162-L205 HydrophobicContact CD2-CB 4.37Å; Y162-L205 HydrophobicContact CD2-CD1 3.86Å; Y162-L205 HydrophobicContact CE2-CD1 3.92Å
163	N	97.3	Very high	94.1	Very high	116 Å²	116	64.2 Å²	64.2	62%	0.62	32%	0.315	S	S	*	.	H	α-helix	trans	-61.7	-39.8	-174.6	-66.9	-27.5	0	0	0	111.2	N161 K166 E167	N161-N163 PolarHBondContact O-N 3.45Å; N161-N163 PolarHBondContact OD1-N 3.13Å; N161-N163 VanDerWaalsContact OD1-N 3.1Å; N163-K166 PolarHBondContact O-N 2.99Å; N163-E167 WeakPolarHBondContact O-CB 3.34Å; N163-E167 PolarHBondContact O-N 3.09Å
164	F	97.2	Very high	94.3	Very high	84 Å²	84	67.9 Å²	67.9	37%	0.368	33%	0.332	S	S	.	.	H	α-helix	trans	-64.6	-53.1	179	-177.7	-98.9	0	0	0	112.1	T149 F153 N161 Y162 K166 E167 Q168	T149-F164 HydrophobicContact CG2-CD1 3.81Å; T149-F164 HydrophobicContact CG2-CE1 3.72Å; F153-F164 HydrophobicContact CZ-CB 4.45Å; F153-F164 AromaticContact CZ-CD1 3.83Å; F153-F164 HydrophobicContact CZ-CD1 3.83Å; N161-F164 HydrophobicContact CB-CB 4.02Å; N161-F164 PolarHBondContact O-N 2.91Å; N161-F164 PolarHBondContact OD1-N 3.42Å; Y162-F164 VanDerWaalsContact C-N 3.27Å; Y162-F164 PolarHBondContact O-N 2.9Å; F164-K166 VanDerWaalsContact C-N 3.27Å; F164-K166 PolarHBondContact O-N 3.28Å; F164-E167 PolarHBondContact O-N 3.25Å; F164-Q168 HydrophobicContact CD1-CG 4.5Å; F164-Q168 HydrophobicContact CE1-CG 4.17Å; F164-Q168 HydrophobicContact CZ-CG 4.33Å; F164-Q168 WeakPolarHBondContact O-CG 3.39Å; F164-Q168 PolarHBondContact O-N 3.44Å; F164-Q168 VanDerWaalsContact O-N 3.12Å
165	I	97.1	Very high	94.6	Very high	3 Å²	3	66.6 Å²	66.6	2%	0.015	32%	0.32	C	S	.	.	H	α-helix	trans	-67.6	-31.2	179.7	-168.7	167.4	0	0	0	111.9	T149 I150 F153 Y160 N161 Y162 Q168 L169 L205 Y209	T149-I165 HydrophobicContact CG2-CB 4.27Å; T149-I165 HydrophobicContact CG2-CD1 4.37Å; T149-I165 HydrophobicContact CG2-CG1 4.31Å; I150-I165 HydrophobicContact CG1-CD1 4.04Å; F153-I165 HydrophobicContact CD2-CB 4.5Å; F153-I165 HydrophobicContact CD2-CD1 4.38Å; F153-I165 HydrophobicContact CE2-CB 3.84Å; F153-I165 HydrophobicContact CE2-CG2 4.1Å; Y160-I165 HydrophobicContact CE2-CG2 4.3Å; N161-I165 PolarHBondContact O-N 3.34Å; Y162-I165 WeakPolarHBondContact O-CG2 3.44Å; Y162-I165 PolarHBondContact O-N 2.75Å; I165-Q168 PolarHBondContact O-N 3.27Å; I165-L169 HydrophobicContact CG1-CD1 4.09Å; I165-L169 HydrophobicContact CG1-CG 4.37Å; I165-L169 WeakPolarHBondContact O-CB 3.4Å; I165-L169 VanDerWaalsContact O-CG 3.28Å; I165-L169 WeakPolarHBondContact O-CG 3.45Å; I165-L169 PolarHBondContact O-N 3.2Å; I165-L205 HydrophobicContact CD1-CD2 4.42Å; I165-L205 HydrophobicContact CG2-CD1 3.79Å; I165-Y209 HydrophobicContact CD1-CE2 4.48Å
166	K	97.9	Very high	95	Very high	41 Å²	41	61.4 Å²	61.4	18%	0.178	30%	0.296	C	S	.	.	H	α-helix	trans	-60.7	-49.2	174.2	176.9	54.6	168.6	132.5	0	111.4	Y162 N163 F164 Q168 L169 D170 S200	Y162-K166 HydrophobicContact CE1-CB 4.43Å; Y162-K166 HydrophobicContact CE1-CG 4.46Å; Y162-K166 HydrophobicContact CE2-CB 4.17Å; Y162-K166 HydrophobicContact CE2-CG 4.48Å; Y162-K166 WeakPolarHBondContact O-CB 3.35Å; Y162-K166 PolarHBondContact O-N 3Å; N163-K166 PolarHBondContact O-N 2.99Å; F164-K166 VanDerWaalsContact C-N 3.27Å; F164-K166 PolarHBondContact O-N 3.28Å; K166-Q168 PolarHBondContact O-N 3.26Å; K166-L169 PolarHBondContact O-N 3.47Å; K166-D170 WeakPolarHBondContact CE-OD2 3.35Å; K166-D170 IonicContact NZ-OD1 2.8Å; K166-D170 PolarHBondContact NZ-OD1 2.99Å; K166-D170 IonicContact NZ-OD2 2.7Å; K166-D170 PolarHBondContact NZ-OD2 2.83Å; K166-D170 PolarHBondContact O-N 3.29Å; K166-S200 WeakPolarHBondContact CD-O 3.16Å; K166-S200 PolarHBondContact NZ-OG 2.9Å
167	E	98	Very high	95.4	Very high	109 Å²	109	58.2 Å²	58.2	51%	0.509	28%	0.277	S	S	.	.	H	α-helix	trans	-57.2	-48.7	175.2	-177	-178.4	-175.2	0	0	111.1	N163 F164 L169 D170 D171	N163-E167 WeakPolarHBondContact O-CB 3.34Å; N163-E167 PolarHBondContact O-N 3.09Å; F164-E167 PolarHBondContact O-N 3.25Å; E167-L169 VanDerWaalsContact C-N 3.31Å; E167-L169 PolarHBondContact O-N 3.13Å; E167-D170 PolarHBondContact O-N 3.47Å; E167-D170 VanDerWaalsContact O-N 3.16Å; E167-D171 PolarHBondContact O-N 2.8Å
168	Q	97.8	Very high	96	Very high	18 Å²	18	56.9 Å²	56.9	8%	0.084	27%	0.267	C	S	.	.	H	α-helix	trans	-59.8	-40.2	178.2	-62.9	-52.9	-63.4	0	0	112.9	I146 F164 I165 K166 C172	I146-Q168 HydrophobicContact CG1-CB 3.91Å; F164-Q168 HydrophobicContact CD1-CG 4.5Å; F164-Q168 HydrophobicContact CE1-CG 4.17Å; F164-Q168 HydrophobicContact CZ-CG 4.33Å; F164-Q168 WeakPolarHBondContact O-CG 3.39Å; F164-Q168 PolarHBondContact O-N 3.44Å; F164-Q168 VanDerWaalsContact O-N 3.12Å; I165-Q168 PolarHBondContact O-N 3.27Å; K166-Q168 PolarHBondContact O-N 3.26Å; Q168-C172 VanDerWaalsContact O-CB 3.29Å; Q168-C172 WeakPolarHBondContact O-CB 3.42Å; Q168-C172 PolarHBondContact O-N 3.01Å
169	L	98.4	Very high	96.4	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.063	23%	0.226	C	C	.	.	H	α-helix	trans	-70.1	-37.6	177.2	-73.2	168.6	0	0	0	112.2	I146 I165 K166 E167 C172 K173 F196 I199 L205	I146-L169 HydrophobicContact CD1-CD2 4.02Å; I146-L169 HydrophobicContact CG2-CD2 4.19Å; I165-L169 HydrophobicContact CG1-CD1 4.09Å; I165-L169 HydrophobicContact CG1-CG 4.37Å; I165-L169 WeakPolarHBondContact O-CB 3.4Å; I165-L169 VanDerWaalsContact O-CG 3.28Å; I165-L169 WeakPolarHBondContact O-CG 3.45Å; I165-L169 PolarHBondContact O-N 3.2Å; K166-L169 PolarHBondContact O-N 3.47Å; E167-L169 VanDerWaalsContact C-N 3.31Å; E167-L169 PolarHBondContact O-N 3.13Å; L169-C172 PolarHBondContact O-N 2.92Å; L169-K173 WeakPolarHBondContact O-CB 3.45Å; L169-K173 PolarHBondContact O-N 3.25Å; L169-F196 HydrophobicContact CB-CD1 4.38Å; L169-F196 HydrophobicContact CD2-CD1 4.43Å; L169-F196 HydrophobicContact CD2-CE1 4.2Å; L169-F196 WeakPolarHBondContact O-CD1 3.42Å; L169-F196 WeakPolarHBondContact O-CE1 3.39Å; L169-I199 HydrophobicContact CD2-CD1 4.23Å; L169-L205 HydrophobicContact CD1-CD1 4.37Å
170	D	98.3	Very high	96.4	Very high	39 Å²	39	44 Å²	44	21%	0.209	21%	0.212	C	C	.	.	H	α-helix	trans	-68.4	-43.3	176.4	-81.7	-31.9	0	0	0	112	K166 E167 C172 K173 E174	K166-D170 WeakPolarHBondContact CE-OD2 3.35Å; K166-D170 IonicContact NZ-OD1 2.8Å; K166-D170 PolarHBondContact NZ-OD1 2.99Å; K166-D170 IonicContact NZ-OD2 2.7Å; K166-D170 PolarHBondContact NZ-OD2 2.83Å; K166-D170 PolarHBondContact O-N 3.29Å; E167-D170 PolarHBondContact O-N 3.47Å; E167-D170 VanDerWaalsContact O-N 3.16Å; D170-C172 VanDerWaalsContact C-N 3.3Å; D170-C172 PolarHBondContact O-N 3.47Å; D170-K173 WeakPolarHBondContact O-CB 3.49Å; D170-K173 PolarHBondContact O-N 3.47Å; D170-K173 IonicContact OD1-NZ 2.75Å; D170-K173 PolarHBondContact OD1-NZ 3.42Å; D170-E174 WeakPolarHBondContact O-CG 3.38Å; D170-E174 PolarHBondContact O-N 2.87Å
171	D	97.4	Very high	96.3	Very high	61 Å²	61	48.3 Å²	48.3	33%	0.326	23%	0.232	S	C	.	.	H	α-helix	trans	-59.1	-44.9	173.8	-73	-7.8	0	0	0	110.7	R142 E167 K173 E174 I175	R142-D171 IonicContact NH1-OD2 3.77Å; E167-D171 PolarHBondContact O-N 2.8Å; D171-K173 VanDerWaalsContact C-N 3.34Å; D171-K173 PolarHBondContact O-N 3.43Å; D171-E174 PolarHBondContact O-N 3.3Å; D171-I175 WeakPolarHBondContact O-CG2 3.21Å; D171-I175 PolarHBondContact O-N 2.87Å
172	C	98	Very high	96	Very high	4 Å²	4	49.1 Å²	49.1	3%	0.027	24%	0.242	C	C	.	.	H	α-helix	trans	-63.1	-39.3	177	-171.8	0	0	0	0	112.3	R142 I146 Q168 L169 D170 I175 I176 F196	R142-C172 HydrophobicContact CB-CB 4.2Å; I146-C172 HydrophobicContact CD1-CB 3.47Å; I146-C172 VanDerWaalsContact CD1-CB 3.47Å; Q168-C172 VanDerWaalsContact O-CB 3.29Å; Q168-C172 WeakPolarHBondContact O-CB 3.42Å; Q168-C172 PolarHBondContact O-N 3.01Å; L169-C172 PolarHBondContact O-N 2.92Å; D170-C172 VanDerWaalsContact C-N 3.3Å; D170-C172 PolarHBondContact O-N 3.47Å; C172-I175 VanDerWaalsContact O-CG2 3.26Å; C172-I175 WeakPolarHBondContact O-CG2 3.37Å; C172-I176 WeakPolarHBondContact O-CB 3.41Å; C172-I176 WeakPolarHBondContact O-CG1 3.46Å; C172-I176 PolarHBondContact O-N 3.43Å; C172-F196 HydrophobicContact CB-CE1 4.09Å; C172-F196 HydrophobicContact CB-CZ 4.44Å
173	K	98.1	Very high	95.4	Very high	23 Å²	23	49.4 Å²	49.4	10%	0.1	24%	0.243	C	C	.	.	H	α-helix	trans	-60.9	-47.2	174.7	178.7	-167.7	72.5	-156.6	0	111.3	L169 D170 D171 I176 C177 F196	L169-K173 WeakPolarHBondContact O-CB 3.45Å; L169-K173 PolarHBondContact O-N 3.25Å; D170-K173 WeakPolarHBondContact O-CB 3.49Å; D170-K173 PolarHBondContact O-N 3.47Å; D170-K173 IonicContact OD1-NZ 2.75Å; D170-K173 PolarHBondContact OD1-NZ 3.42Å; D171-K173 VanDerWaalsContact C-N 3.34Å; D171-K173 PolarHBondContact O-N 3.43Å; K173-I176 PolarHBondContact O-N 3.02Å; K173-C177 WeakPolarHBondContact O-CB 3.36Å; K173-C177 PolarHBondContact O-N 3.42Å; K173-C177 PolarHBondContact O-SG 3.49Å; K173-F196 HydrophobicContact CB-CB 3.8Å; K173-F196 HydrophobicContact CB-CD1 3.69Å; K173-F196 HydrophobicContact CB-CD2 3.96Å; K173-F196 HydrophobicContact CB-CE1 4.22Å; K173-F196 HydrophobicContact CB-CE2 4.47Å; K173-F196 HydrophobicContact CB-CG 3.54Å; K173-F196 HydrophobicContact CD-CB 3.61Å; K173-F196 HydrophobicContact CD-CG 4.3Å; K173-F196 HydrophobicContact CG-CB 3.64Å; K173-F196 HydrophobicContact CG-CD1 4.44Å; K173-F196 HydrophobicContact CG-CD2 4.03Å; K173-F196 HydrophobicContact CG-CG 3.79Å
174	E	97.7	Very high	95	Very high	99 Å²	99	44.6 Å²	44.6	46%	0.463	22%	0.217	S	C	.	.	H	α-helix	trans	-66.2	-45.4	-177.6	-67.9	-52	139.7	0	0	111.4	D170 D171 I176 C177 Q178	D170-E174 WeakPolarHBondContact O-CG 3.38Å; D170-E174 PolarHBondContact O-N 2.87Å; D171-E174 PolarHBondContact O-N 3.3Å; E174-I176 VanDerWaalsContact C-N 3.35Å; E174-I176 PolarHBondContact O-N 3.06Å; E174-C177 PolarHBondContact O-N 2.88Å; E174-C177 VanDerWaalsContact O-N 3.16Å; E174-Q178 WeakPolarHBondContact O-CB 3.45Å; E174-Q178 PolarHBondContact O-N 3.16Å
175	I	97	Very high	94.6	Very high	9 Å²	9	43.8 Å²	43.8	5%	0.046	22%	0.222	C	C	.	.	H	α-helix	trans	-64.8	-38	177.4	-167.8	66.9	0	0	0	112.1	N135 E138 I139 R142 D171 C172 Q178 A179	N135-I175 HydrophobicContact CB-CD1 4.22Å; N135-I175 WeakPolarHBondContact OD1-CD1 3.46Å; E138-I175 HydrophobicContact CB-CD1 4.21Å; E138-I175 HydrophobicContact CB-CG1 3.97Å; E138-I175 HydrophobicContact CG-CD1 4.22Å; E138-I175 HydrophobicContact CG-CG1 3.91Å; I139-I175 HydrophobicContact CG1-CG1 4.07Å; I139-I175 HydrophobicContact CG1-CG2 3.86Å; R142-I175 HydrophobicContact CG-CG2 4.41Å; D171-I175 WeakPolarHBondContact O-CG2 3.21Å; D171-I175 PolarHBondContact O-N 2.87Å; C172-I175 VanDerWaalsContact O-CG2 3.26Å; C172-I175 WeakPolarHBondContact O-CG2 3.37Å; I175-Q178 PolarHBondContact O-N 3.33Å; I175-A179 VanDerWaalsContact O-CB 3.3Å; I175-A179 WeakPolarHBondContact O-CB 3.35Å; I175-A179 PolarHBondContact O-N 3.34Å
176	I	97.2	Very high	94.4	Very high	10 Å²	10	47.7 Å²	47.7	5%	0.051	25%	0.249	C	C	.	.	H	α-helix	trans	-62.6	-46.8	173.1	-72.2	169.8	0	0	0	110.1	T115 I119 I139 C172 K173 E174 Q178 A179 V180 I192 F196	T115-I176 HydrophobicContact CG2-CG2 4.13Å; I119-I176 HydrophobicContact CD1-CD1 4.47Å; I119-I176 HydrophobicContact CD1-CG1 4.21Å; I119-I176 HydrophobicContact CD1-CG2 4.04Å; I139-I176 HydrophobicContact CD1-CG1 3.99Å; I139-I176 HydrophobicContact CG1-CG1 3.86Å; I139-I176 HydrophobicContact CG2-CG1 4.21Å; C172-I176 WeakPolarHBondContact O-CB 3.41Å; C172-I176 WeakPolarHBondContact O-CG1 3.46Å; C172-I176 PolarHBondContact O-N 3.43Å; K173-I176 PolarHBondContact O-N 3.02Å; E174-I176 VanDerWaalsContact C-N 3.35Å; E174-I176 PolarHBondContact O-N 3.06Å; I176-Q178 VanDerWaalsContact C-N 3.33Å; I176-Q178 PolarHBondContact O-N 3.41Å; I176-A179 PolarHBondContact O-N 3.4Å; I176-V180 HydrophobicContact CG2-CG1 4.4Å; I176-V180 WeakPolarHBondContact O-CG1 3.28Å; I176-V180 VanDerWaalsContact O-CG2 3.25Å; I176-V180 WeakPolarHBondContact O-CG2 3.22Å; I176-V180 PolarHBondContact O-N 3.42Å; I176-I192 HydrophobicContact CG2-CD1 4.16Å; I176-I192 HydrophobicContact CG2-CG2 3.87Å; I176-F196 HydrophobicContact CD1-CE2 3.76Å; I176-F196 HydrophobicContact CD1-CZ 3.61Å
177	C	96.5	Very high	94.1	Very high	9 Å²	9	51.5 Å²	51.5	6%	0.061	27%	0.266	C	S	.	.	H	α-helix	trans	-60.2	-43.8	178.7	-71.9	0	0	0	0	111.3	K173 E174 K181 I189	K173-C177 WeakPolarHBondContact O-CB 3.36Å; K173-C177 PolarHBondContact O-N 3.42Å; K173-C177 PolarHBondContact O-SG 3.49Å; E174-C177 PolarHBondContact O-N 2.88Å; E174-C177 VanDerWaalsContact O-N 3.16Å; C177-K181 WeakPolarHBondContact O-CB 3.46Å; C177-K181 PolarHBondContact O-N 2.95Å; C177-I189 HydrophobicContact CB-CG2 4.33Å
178	Q	93.6	Very high	93.8	Very high	96 Å²	96	46.6 Å²	46.6	45%	0.449	24%	0.243	S	C	.	.	H	α-helix	trans	-61.1	-49	176.1	-177.2	175	-11.3	0	0	111.4	E131 E174 I175 I176 V180 K181 P182	E131-Q178 PolarHBondContact OE1-NE2 3.42Å; E174-Q178 WeakPolarHBondContact O-CB 3.45Å; E174-Q178 PolarHBondContact O-N 3.16Å; I175-Q178 PolarHBondContact O-N 3.33Å; I176-Q178 VanDerWaalsContact C-N 3.33Å; I176-Q178 PolarHBondContact O-N 3.41Å; Q178-V180 VanDerWaalsContact C-N 3.31Å; Q178-V180 PolarHBondContact O-N 3.26Å; Q178-K181 PolarHBondContact O-N 3.31Å; Q178-P182 WeakPolarHBondContact O-CD 3.43Å
179	A	92.1	Very high	93.6	Very high	6 Å²	6	47 Å²	47	5%	0.05	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-37.1	-178	0	0	0	0	0	113.2	N135 I139 I175 I176 Y183	N135-A179 HydrophobicContact CB-CB 3.8Å; I139-A179 HydrophobicContact CD1-CB 3.53Å; I175-A179 VanDerWaalsContact O-CB 3.3Å; I175-A179 WeakPolarHBondContact O-CB 3.35Å; I175-A179 PolarHBondContact O-N 3.34Å; I176-A179 PolarHBondContact O-N 3.4Å; A179-Y183 WeakPolarHBondContact O-CD2 3.34Å
180	V	90.1	Very high	93.5	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.006	27%	0.271	C	S	.	.	H	α-helix	trans	-95.5	-16	-174.1	-53.6	0	0	0	0	113.8	I119 I122 I176 Q178 P182 Y183 L184 I189 I192	I119-V180 HydrophobicContact CG1-CG1 3.87Å; I122-V180 HydrophobicContact CD1-CB 4.22Å; I122-V180 HydrophobicContact CD1-CG1 3.98Å; I176-V180 HydrophobicContact CG2-CG1 4.4Å; I176-V180 WeakPolarHBondContact O-CG1 3.28Å; I176-V180 VanDerWaalsContact O-CG2 3.25Å; I176-V180 WeakPolarHBondContact O-CG2 3.22Å; I176-V180 PolarHBondContact O-N 3.42Å; Q178-V180 VanDerWaalsContact C-N 3.31Å; Q178-V180 PolarHBondContact O-N 3.26Å; V180-P182 VanDerWaalsContact C-CD 3.47Å; V180-Y183 PolarHBondContact O-N 2.8Å; V180-L184 HydrophobicContact CB-CD1 3.55Å; V180-L184 HydrophobicContact CB-CG 3.93Å; V180-L184 HydrophobicContact CG1-CD1 4.17Å; V180-L184 HydrophobicContact CG2-CD1 3.76Å; V180-L184 HydrophobicContact CG2-CG 4.38Å; V180-L184 WeakPolarHBondContact O-CB 3.38Å; V180-L184 WeakPolarHBondContact O-CG 3.4Å; V180-L184 PolarHBondContact O-N 3.24Å; V180-I189 HydrophobicContact CG2-CG1 4.49Å; V180-I192 HydrophobicContact CG2-CD1 3.77Å
181	K	91	Very high	93.4	Very high	148 Å²	148	52.8 Å²	52.8	64%	0.643	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-39.6	-177	178.4	180	-178.2	-173	0	114.2	C177 Q178 Y183 I189	C177-K181 WeakPolarHBondContact O-CB 3.46Å; C177-K181 PolarHBondContact O-N 2.95Å; Q178-K181 PolarHBondContact O-N 3.31Å; K181-Y183 PolarHBondContact O-N 2.75Å; K181-I189 HydrophobicContact CB-CD1 4Å; K181-I189 HydrophobicContact CG-CD1 4Å
182	P	88.7	Confident	93.3	Very high	95 Å²	95	50 Å²	50	62%	0.617	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-20	176.9	-22	34.2	0	0	0	113.9	Q178 V180	Q178-P182 WeakPolarHBondContact O-CD 3.43Å; V180-P182 VanDerWaalsContact C-CD 3.47Å
183	Y	85.2	Confident	93.3	Very high	54 Å²	54	54 Å²	54	21%	0.212	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-21.6	-167.1	-59.2	-75.2	0	0	0	114	F59 I122 D132 A179 V180 K181	F59-Y183 AromaticContact CE1-CD1 3.74Å; F59-Y183 HydrophobicContact CE1-CD1 3.74Å; F59-Y183 HydrophobicContact CE1-CG 4.27Å; F59-Y183 HydrophobicContact CE2-CD1 4.36Å; F59-Y183 AromaticContact CZ-CD1 3.58Å; F59-Y183 HydrophobicContact CZ-CD1 3.58Å; F59-Y183 AromaticContact CZ-CG 3.97Å; F59-Y183 HydrophobicContact CZ-CG 3.97Å; I122-Y183 HydrophobicContact CD1-CD2 3.84Å; I122-Y183 HydrophobicContact CD1-CG 4Å; I122-Y183 HydrophobicContact CG1-CD2 4.08Å; I122-Y183 HydrophobicContact CG1-CG 3.99Å; I122-Y183 HydrophobicContact CG2-CD2 4Å; I122-Y183 HydrophobicContact CG2-CE2 3.87Å; D132-Y183 VanDerWaalsContact OD1-CE2 3.26Å; D132-Y183 WeakPolarHBondContact OD1-CE2 3.37Å; D132-Y183 PolarHBondContact OD1-OH 3.16Å; D132-Y183 PolarHBondContact OD2-OH 2.87Å; A179-Y183 WeakPolarHBondContact O-CD2 3.34Å; V180-Y183 PolarHBondContact O-N 2.8Å; K181-Y183 PolarHBondContact O-N 2.75Å
184	L	88.5	Confident	93.2	Very high	16 Å²	16	57.6 Å²	57.6	8%	0.084	29%	0.288	C	S	.	.	S	Bend	trans	-120.3	155.4	-170.5	-56.9	-171.4	0	0	0	112.3	K63 K118 V180	K63-L184 HydrophobicContact CD-CD2 3.93Å; K118-L184 HydrophobicContact CB-CD1 4.18Å; K118-L184 HydrophobicContact CB-CD2 4.35Å; K118-L184 HydrophobicContact CD-CD1 3.62Å; K118-L184 HydrophobicContact CD-CD2 3.76Å; K118-L184 HydrophobicContact CD-CG 4.37Å; K118-L184 HydrophobicContact CG-CD1 4.45Å; K118-L184 HydrophobicContact CG-CD2 4.22Å; V180-L184 HydrophobicContact CB-CD1 3.55Å; V180-L184 HydrophobicContact CB-CG 3.93Å; V180-L184 HydrophobicContact CG1-CD1 4.17Å; V180-L184 HydrophobicContact CG2-CD1 3.76Å; V180-L184 HydrophobicContact CG2-CG 4.38Å; V180-L184 WeakPolarHBondContact O-CB 3.38Å; V180-L184 WeakPolarHBondContact O-CG 3.4Å; V180-L184 PolarHBondContact O-N 3.24Å
185	S	88.8	Confident	93.1	Very high	66 Å²	66	53 Å²	53	46%	0.462	27%	0.267	S	S	.	.			trans	-68.8	156.8	174.3	61	0	0	0	0	112.3	K187 S188 I189	S185-K187 VanDerWaalsContact C-N 3.26Å; S185-K187 PolarHBondContact O-N 2.89Å; S185-S188 WeakPolarHBondContact O-CA 3.39Å; S185-S188 WeakPolarHBondContact O-CB 3.21Å; S185-S188 PolarHBondContact O-N 3.12Å; S185-I189 PolarHBondContact O-N 2.91Å
186	S	91.6	Very high	93.2	Very high	85 Å²	85	53.2 Å²	53.2	59%	0.594	27%	0.268	S	S	*	.	H	α-helix	trans	-51.2	-44.2	171.9	51.1	0	0	0	0	112.3	S188 I189 E190	S186-S188 PolarHBondContact O-N 2.88Å; S186-I189 WeakPolarHBondContact O-CA 3.41Å; S186-I189 WeakPolarHBondContact O-CB 3.49Å; S186-I189 PolarHBondContact O-N 2.76Å; S186-E190 PolarHBondContact O-N 3.18Å
187	K	93.1	Very high	93.2	Very high	122 Å²	122	56.9 Å²	56.9	53%	0.53	29%	0.287	S	S	.	.	H	α-helix	trans	-55.1	-35.6	175	-169.9	175	-174.2	177.8	0	112.7	S185 R191	S185-K187 VanDerWaalsContact C-N 3.26Å; S185-K187 PolarHBondContact O-N 2.89Å; K187-R191 VanDerWaalsContact O-CG 3.25Å; K187-R191 WeakPolarHBondContact O-CG 3.44Å; K187-R191 PolarHBondContact O-N 2.76Å
188	S	90.4	Very high	93.1	Very high	5 Å²	5	58.7 Å²	58.7	4%	0.035	30%	0.296	C	S	.	.	H	α-helix	trans	-73.7	-36	176.3	-163.2	0	0	0	0	112.4	K118 S185 S186 R191 I192	K118-S188 PolarHBondContact NZ-OG 2.84Å; S185-S188 WeakPolarHBondContact O-CA 3.39Å; S185-S188 WeakPolarHBondContact O-CB 3.21Å; S185-S188 PolarHBondContact O-N 3.12Å; S186-S188 PolarHBondContact O-N 2.88Å; S188-R191 PolarHBondContact O-N 3.06Å; S188-I192 WeakPolarHBondContact O-CG1 3.46Å; S188-I192 PolarHBondContact O-N 3.05Å; S188-I192 VanDerWaalsContact O-N 3.15Å
189	I	94.5	Very high	93.2	Very high	26 Å²	26	55.1 Å²	55.1	13%	0.133	28%	0.279	C	S	.	.	H	α-helix	trans	-66.7	-42	176.3	-59.6	170.8	0	0	0	109.8	C177 V180 K181 S185 S186 R191 I192 K193	C177-I189 HydrophobicContact CB-CG2 4.33Å; V180-I189 HydrophobicContact CG2-CG1 4.49Å; K181-I189 HydrophobicContact CB-CD1 4Å; K181-I189 HydrophobicContact CG-CD1 4Å; S185-I189 PolarHBondContact O-N 2.91Å; S186-I189 WeakPolarHBondContact O-CA 3.41Å; S186-I189 WeakPolarHBondContact O-CB 3.49Å; S186-I189 PolarHBondContact O-N 2.76Å; I189-R191 VanDerWaalsContact C-N 3.33Å; I189-R191 PolarHBondContact O-N 3.14Å; I189-I192 WeakPolarHBondContact O-CB 3.5Å; I189-I192 PolarHBondContact O-N 2.76Å; I189-I192 VanDerWaalsContact O-N 3.17Å; I189-K193 HydrophobicContact CG2-CD 4.37Å; I189-K193 WeakPolarHBondContact O-CG 3.45Å; I189-K193 PolarHBondContact O-N 2.9Å
190	E	96.8	Very high	93.4	Very high	126 Å²	126	54.9 Å²	54.9	59%	0.589	28%	0.277	S	S	*	.	H	α-helix	trans	-59.7	-41.5	174.8	-73.2	170.1	-172.3	0	0	112.2	S186 I192 K193 H194	S186-E190 PolarHBondContact O-N 3.18Å; E190-I192 VanDerWaalsContact C-N 3.34Å; E190-I192 PolarHBondContact O-N 3.28Å; E190-K193 PolarHBondContact O-N 3.25Å; E190-H194 WeakPolarHBondContact O-CB 3.26Å; E190-H194 PolarHBondContact O-N 3.24Å
191	R	94.4	Very high	93.7	Very high	48 Å²	48	56.3 Å²	56.3	18%	0.181	29%	0.287	C	S	.	.	H	α-helix	trans	-62.5	-38.6	174.9	-71.3	169.3	172.9	176.8	-8	112.5	D31 H111 K187 S188 I189 L195	D31-R191 IonicContact OD2-NH2 3.75Å; H111-R191 WeakPolarHBondContact NE2-CD 3.42Å; K187-R191 VanDerWaalsContact O-CG 3.25Å; K187-R191 WeakPolarHBondContact O-CG 3.44Å; K187-R191 PolarHBondContact O-N 2.76Å; S188-R191 PolarHBondContact O-N 3.06Å; I189-R191 VanDerWaalsContact C-N 3.33Å; I189-R191 PolarHBondContact O-N 3.14Å; R191-L195 WeakPolarHBondContact O-CB 3.15Å; R191-L195 PolarHBondContact O-N 3.24Å
192	I	96.1	Very high	94	Very high	1 Å²	1	54 Å²	54	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-65.8	-48	174.6	-67.6	164.9	0	0	0	110.2	T115 I176 V180 S188 I189 E190 H194 L195 F196	T115-I192 HydrophobicContact CG2-CD1 3.87Å; T115-I192 HydrophobicContact CG2-CG1 3.77Å; T115-I192 WeakPolarHBondContact OG1-CG1 3.34Å; I176-I192 HydrophobicContact CG2-CD1 4.16Å; I176-I192 HydrophobicContact CG2-CG2 3.87Å; V180-I192 HydrophobicContact CG2-CD1 3.77Å; S188-I192 WeakPolarHBondContact O-CG1 3.46Å; S188-I192 PolarHBondContact O-N 3.05Å; S188-I192 VanDerWaalsContact O-N 3.15Å; I189-I192 WeakPolarHBondContact O-CB 3.5Å; I189-I192 PolarHBondContact O-N 2.76Å; I189-I192 VanDerWaalsContact O-N 3.17Å; E190-I192 VanDerWaalsContact C-N 3.34Å; E190-I192 PolarHBondContact O-N 3.28Å; I192-H194 VanDerWaalsContact C-N 3.33Å; I192-H194 PolarHBondContact O-N 3.28Å; I192-L195 WeakPolarHBondContact O-CB 3.41Å; I192-L195 PolarHBondContact O-N 3.32Å; I192-F196 HydrophobicContact CG2-CD2 3.96Å; I192-F196 HydrophobicContact CG2-CE2 4.16Å; I192-F196 WeakPolarHBondContact O-CD2 3.36Å; I192-F196 PolarHBondContact O-N 3.46Å
193	K	97.9	Very high	94.2	Very high	89 Å²	89	56.6 Å²	56.6	39%	0.387	28%	0.281	S	S	.	.	H	α-helix	trans	-59.5	-45	177.5	-72.2	-178.5	174.5	-171	0	111.6	I189 E190 L195 F196 N197	I189-K193 HydrophobicContact CG2-CD 4.37Å; I189-K193 WeakPolarHBondContact O-CG 3.45Å; I189-K193 PolarHBondContact O-N 2.9Å; E190-K193 PolarHBondContact O-N 3.25Å; K193-L195 VanDerWaalsContact C-N 3.35Å; K193-L195 PolarHBondContact O-N 3.48Å; K193-F196 PolarHBondContact O-N 3.37Å; K193-N197 WeakPolarHBondContact O-CB 3.36Å; K193-N197 PolarHBondContact O-N 3.26Å; K193-N197 PolarHBondContact O-ND2 2.85Å; K193-N197 PolarHBondContact O-OD1 3.03Å
194	H	96.1	Very high	94.7	Very high	98 Å²	98	54.3 Å²	54.3	45%	0.454	27%	0.273	S	S	.	.	H	α-helix	trans	-59.7	-45.1	175.9	-177.9	67.2	0	0	0	111.6	E190 I192 F196 N197 I198	E190-H194 WeakPolarHBondContact O-CB 3.26Å; E190-H194 PolarHBondContact O-N 3.24Å; I192-H194 VanDerWaalsContact C-N 3.33Å; I192-H194 PolarHBondContact O-N 3.28Å; H194-F196 PolarHBondContact O-N 2.92Å; H194-N197 PolarHBondContact O-N 2.8Å; H194-I198 WeakPolarHBondContact O-CG1 3.48Å; H194-I198 PolarHBondContact O-N 2.97Å; H194-I198 VanDerWaalsContact O-N 3.13Å
195	L	96.4	Very high	95	Very high	2 Å²	2	54 Å²	54	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-54.1	-53.7	174.1	171.3	66.7	0	0	0	112.5	L108 L112 R191 I192 K193 N197 I198 I199	L108-L195 HydrophobicContact CD1-CB 4.03Å; L108-L195 HydrophobicContact CD1-CD1 3.67Å; L108-L195 HydrophobicContact CD1-CG 4.48Å; L108-L195 HydrophobicContact CD2-CD1 4.44Å; L108-L195 HydrophobicContact CG-CD1 3.66Å; L112-L195 HydrophobicContact CB-CD1 4.13Å; L112-L195 HydrophobicContact CB-CD2 3.78Å; L112-L195 HydrophobicContact CD1-CD2 3.88Å; L112-L195 HydrophobicContact CG-CD2 4.41Å; R191-L195 WeakPolarHBondContact O-CB 3.15Å; R191-L195 PolarHBondContact O-N 3.24Å; I192-L195 WeakPolarHBondContact O-CB 3.41Å; I192-L195 PolarHBondContact O-N 3.32Å; K193-L195 VanDerWaalsContact C-N 3.35Å; K193-L195 PolarHBondContact O-N 3.48Å; L195-N197 VanDerWaalsContact C-N 3.33Å; L195-N197 PolarHBondContact O-N 2.84Å; L195-I198 PolarHBondContact O-N 3.4Å; L195-I199 HydrophobicContact CD1-CG2 4.14Å; L195-I199 PolarHBondContact O-N 2.84Å; L195-I199 VanDerWaalsContact O-N 3.09Å
196	F	97.8	Very high	95.3	Very high	15 Å²	15	52.7 Å²	52.7	7%	0.066	26%	0.259	C	S	.	.	H	α-helix	trans	-64.6	-36.7	-179.8	-86.9	-88.9	0	0	0	112.7	L169 C172 K173 I176 I192 K193 H194 I198 I199 S200	L169-F196 HydrophobicContact CB-CD1 4.38Å; L169-F196 HydrophobicContact CD2-CD1 4.43Å; L169-F196 HydrophobicContact CD2-CE1 4.2Å; L169-F196 WeakPolarHBondContact O-CD1 3.42Å; L169-F196 WeakPolarHBondContact O-CE1 3.39Å; C172-F196 HydrophobicContact CB-CE1 4.09Å; C172-F196 HydrophobicContact CB-CZ 4.44Å; K173-F196 HydrophobicContact CB-CB 3.8Å; K173-F196 HydrophobicContact CB-CD1 3.69Å; K173-F196 HydrophobicContact CB-CD2 3.96Å; K173-F196 HydrophobicContact CB-CE1 4.22Å; K173-F196 HydrophobicContact CB-CE2 4.47Å; K173-F196 HydrophobicContact CB-CG 3.54Å; K173-F196 HydrophobicContact CD-CB 3.61Å; K173-F196 HydrophobicContact CD-CG 4.3Å; K173-F196 HydrophobicContact CG-CB 3.64Å; K173-F196 HydrophobicContact CG-CD1 4.44Å; K173-F196 HydrophobicContact CG-CD2 4.03Å; K173-F196 HydrophobicContact CG-CG 3.79Å; I176-F196 HydrophobicContact CD1-CE2 3.76Å; I176-F196 HydrophobicContact CD1-CZ 3.61Å; I192-F196 HydrophobicContact CG2-CD2 3.96Å; I192-F196 HydrophobicContact CG2-CE2 4.16Å; I192-F196 WeakPolarHBondContact O-CD2 3.36Å; I192-F196 PolarHBondContact O-N 3.46Å; K193-F196 PolarHBondContact O-N 3.37Å; H194-F196 PolarHBondContact O-N 2.92Å; F196-I198 VanDerWaalsContact C-N 3.27Å; F196-I198 PolarHBondContact O-N 3.16Å; F196-I199 HydrophobicContact CD1-CD1 4.09Å; F196-I199 HydrophobicContact CE1-CD1 4.3Å; F196-I199 HydrophobicContact CG-CD1 4.46Å; F196-S200 WeakPolarHBondContact O-CB 3.29Å; F196-S200 PolarHBondContact O-N 3.36Å; F196-S200 PolarHBondContact O-OG 3.06Å
197	N	96.7	Very high	95.3	Very high	86 Å²	86	49.8 Å²	49.8	46%	0.46	24%	0.238	S	C	.	.	H	α-helix	trans	-61.4	-36.6	176.6	-72	-10.5	0	0	0	112.2	K193 H194 L195 S201	K193-N197 WeakPolarHBondContact O-CB 3.36Å; K193-N197 PolarHBondContact O-N 3.26Å; K193-N197 PolarHBondContact O-ND2 2.85Å; K193-N197 PolarHBondContact O-OD1 3.03Å; H194-N197 PolarHBondContact O-N 2.8Å; L195-N197 VanDerWaalsContact C-N 3.33Å; L195-N197 PolarHBondContact O-N 2.84Å; N197-S201 PolarHBondContact O-N 3.28Å
198	I	95.1	Very high	95.2	Very high	48 Å²	48	44.2 Å²	44.2	25%	0.246	22%	0.215	C	C	.	.	H	α-helix	trans	-74.9	-51.7	177.9	-61.6	-63.1	0	0	0	111.3	I99 L108 H194 L195 F196 S200 S201	I99-I198 HydrophobicContact CD1-CG2 3.51Å; I99-I198 HydrophobicContact CG1-CG2 4.31Å; L108-I198 HydrophobicContact CD1-CG1 4.4Å; L108-I198 HydrophobicContact CD2-CB 3.93Å; L108-I198 HydrophobicContact CD2-CG1 4.35Å; L108-I198 HydrophobicContact CD2-CG2 3.57Å; H194-I198 WeakPolarHBondContact O-CG1 3.48Å; H194-I198 PolarHBondContact O-N 2.97Å; H194-I198 VanDerWaalsContact O-N 3.13Å; L195-I198 PolarHBondContact O-N 3.4Å; F196-I198 VanDerWaalsContact C-N 3.27Å; F196-I198 PolarHBondContact O-N 3.16Å; I198-S200 PolarHBondContact O-N 3.17Å; I198-S201 WeakPolarHBondContact O-CB 3.16Å; I198-S201 PolarHBondContact O-N 3.07Å; I198-S201 PolarHBondContact O-OG 3.24Å
199	I	95.4	Very high	95.2	Very high	20 Å²	20	45.5 Å²	45.5	10%	0.103	22%	0.219	C	C	.	.	H	α-helix	trans	-70.5	-18.2	-176.2	68.6	179.1	0	0	0	113.2	M95 L169 L195 F196 F204	M95-I199 HydrophobicContact SD-CG2 4.09Å; L169-I199 HydrophobicContact CD2-CD1 4.23Å; L195-I199 HydrophobicContact CD1-CG2 4.14Å; L195-I199 PolarHBondContact O-N 2.84Å; L195-I199 VanDerWaalsContact O-N 3.09Å; F196-I199 HydrophobicContact CD1-CD1 4.09Å; F196-I199 HydrophobicContact CE1-CD1 4.3Å; F196-I199 HydrophobicContact CG-CD1 4.46Å; I199-F204 HydrophobicContact CB-CE1 4.46Å; I199-F204 WeakPolarHBondContact O-CD1 3.1Å
200	S	97	Very high	94.8	Very high	1 Å²	1	47 Å²	47	1%	0.007	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	5.6	174.2	73.5	0	0	0	0	113	Y162 K166 F196 I198	Y162-S200 PolarHBondContact OH-O 3.43Å; K166-S200 WeakPolarHBondContact CD-O 3.16Å; K166-S200 PolarHBondContact NZ-OG 2.9Å; F196-S200 WeakPolarHBondContact O-CB 3.29Å; F196-S200 PolarHBondContact O-N 3.36Å; F196-S200 PolarHBondContact O-OG 3.06Å; I198-S200 PolarHBondContact O-N 3.17Å
201	S	96.9	Very high	93.9	Very high	31 Å²	31	49.9 Å²	49.9	22%	0.217	23%	0.234	C	C	.	.			trans	-67.6	142.9	177.3	85.1	0	0	0	0	110.2	N197 I198 E203 F204 L205	N197-S201 PolarHBondContact O-N 3.28Å; I198-S201 WeakPolarHBondContact O-CB 3.16Å; I198-S201 PolarHBondContact O-N 3.07Å; I198-S201 PolarHBondContact O-OG 3.24Å; S201-E203 VanDerWaalsContact C-N 3.28Å; S201-E203 PolarHBondContact O-N 3.48Å; S201-F204 PolarHBondContact O-N 2.95Å; S201-F204 WeakPolarHBondContact OG-CB 3.36Å; S201-F204 PolarHBondContact OG-N 2.61Å; S201-L205 PolarHBondContact O-N 3.4Å
202	K	96.1	Very high	93.4	Very high	100 Å²	100	52 Å²	52	44%	0.435	25%	0.252	S	S	.	.	H	α-helix	trans	-60.5	-42.1	177.4	-162.6	-174.9	-167.7	-45.4	0	111.3	Y162 F204 L205 D206	Y162-K202 HydrophobicContact CD1-CD 4.32Å; Y162-K202 HydrophobicContact CD1-CG 4.08Å; Y162-K202 HydrophobicContact CD2-CB 4.13Å; Y162-K202 HydrophobicContact CD2-CG 3.87Å; Y162-K202 HydrophobicContact CE1-CB 4.15Å; Y162-K202 HydrophobicContact CE1-CD 4.34Å; Y162-K202 HydrophobicContact CE1-CG 4.08Å; Y162-K202 HydrophobicContact CE2-CB 3.62Å; Y162-K202 HydrophobicContact CE2-CG 3.88Å; Y162-K202 HydrophobicContact CG-CG 3.98Å; K202-F204 VanDerWaalsContact C-N 3.31Å; K202-F204 PolarHBondContact O-N 2.93Å; K202-L205 PolarHBondContact O-N 3.42Å; K202-D206 IonicContact NZ-OD1 3.03Å; K202-D206 PolarHBondContact NZ-OD1 3.01Å; K202-D206 IonicContact NZ-OD2 2.54Å; K202-D206 PolarHBondContact NZ-OD2 3.48Å; K202-D206 WeakPolarHBondContact O-CB 3.28Å; K202-D206 PolarHBondContact O-N 3.28Å
203	E	93.9	Very high	92.9	Very high	149 Å²	149	52.4 Å²	52.4	70%	0.696	26%	0.256	S	S	*	.	H	α-helix	trans	-58.2	-43.9	178.3	-63.1	178.9	175	0	0	111.6	H98 S201 S207	H98-E203 PolarHBondContact CE1-O 2.9Å; S201-E203 VanDerWaalsContact C-N 3.28Å; S201-E203 PolarHBondContact O-N 3.48Å; E203-S207 WeakPolarHBondContact O-CB 3.23Å; E203-S207 PolarHBondContact O-N 3.5Å; E203-S207 VanDerWaalsContact O-N 3.15Å; E203-S207 PolarHBondContact O-OG 3.38Å
204	F	95.1	Very high	92.4	Very high	7 Å²	7	53.1 Å²	53.1	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-67.2	-55.2	178.3	175.9	-108.7	0	0	0	111	L91 L94 M95 H98 I199 S201 K202 S207 V208	L91-F204 HydrophobicContact CD1-CE1 4.45Å; L91-F204 HydrophobicContact CD1-CZ 4.15Å; L94-F204 HydrophobicContact CB-CE2 4.4Å; L94-F204 HydrophobicContact CB-CZ 4.21Å; M95-F204 HydrophobicContact CG-CE2 4.02Å; M95-F204 HydrophobicContact CG-CZ 4.04Å; H98-F204 HydrophobicContact CB-CD2 3.8Å; H98-F204 HydrophobicContact CB-CE2 4.25Å; H98-F204 AromaticContact CD2-CD2 3.74Å; H98-F204 AromaticContact CG-CD2 3.78Å; H98-F204 WeakPolarHBondContact NE2-CA 3.09Å; H98-F204 PolarHBondContact NE2-N 2.85Å; I199-F204 HydrophobicContact CB-CE1 4.46Å; I199-F204 WeakPolarHBondContact O-CD1 3.1Å; S201-F204 PolarHBondContact O-N 2.95Å; S201-F204 WeakPolarHBondContact OG-CB 3.36Å; S201-F204 PolarHBondContact OG-N 2.61Å; K202-F204 VanDerWaalsContact C-N 3.31Å; K202-F204 PolarHBondContact O-N 2.93Å; F204-S207 PolarHBondContact O-N 2.85Å; F204-S207 VanDerWaalsContact O-N 3.14Å; F204-S207 PolarHBondContact O-OG 3.49Å; F204-V208 HydrophobicContact CE1-CG2 4.46Å; F204-V208 HydrophobicContact CE2-CG2 4.12Å; F204-V208 HydrophobicContact CZ-CG2 4.1Å; F204-V208 WeakPolarHBondContact O-CG2 3.44Å; F204-V208 PolarHBondContact O-N 2.7Å
205	L	95.6	Very high	92.1	Very high	8 Å²	8	53.2 Å²	53.2	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-64.6	-43.5	-174.2	-70.8	172.8	0	0	0	112.5	Y160 Y162 I165 L169 S201 K202 S207 V208 Y209	Y160-L205 HydrophobicContact CE2-CB 4.25Å; Y160-L205 VanDerWaalsContact OH-CB 3.29Å; Y160-L205 WeakPolarHBondContact OH-CB 3.22Å; Y162-L205 HydrophobicContact CD2-CB 4.37Å; Y162-L205 HydrophobicContact CD2-CD1 3.86Å; Y162-L205 HydrophobicContact CE2-CD1 3.92Å; I165-L205 HydrophobicContact CD1-CD2 4.42Å; I165-L205 HydrophobicContact CG2-CD1 3.79Å; L169-L205 HydrophobicContact CD1-CD1 4.37Å; S201-L205 PolarHBondContact O-N 3.4Å; K202-L205 PolarHBondContact O-N 3.42Å; L205-S207 VanDerWaalsContact C-N 3.3Å; L205-S207 PolarHBondContact O-N 3Å; L205-V208 PolarHBondContact O-N 3.1Å; L205-V208 VanDerWaalsContact O-N 3.14Å; L205-Y209 HydrophobicContact CD2-CE2 4.28Å; L205-Y209 WeakPolarHBondContact O-CD2 3.36Å; L205-Y209 PolarHBondContact O-N 3.23Å
206	D	93.6	Very high	91.8	Very high	39 Å²	39	55.8 Å²	55.8	21%	0.209	28%	0.277	C	S	.	.	H	α-helix	trans	-59.6	-45	173.3	-72.3	-0.5	0	0	0	109.8	Y160 K202 V208 Y209 D210	Y160-D206 WeakPolarHBondContact CE1-OD1 3.47Å; Y160-D206 PolarHBondContact OH-N 3.44Å; Y160-D206 PolarHBondContact OH-OD1 3.29Å; K202-D206 IonicContact NZ-OD1 3.03Å; K202-D206 PolarHBondContact NZ-OD1 3.01Å; K202-D206 IonicContact NZ-OD2 2.54Å; K202-D206 PolarHBondContact NZ-OD2 3.48Å; K202-D206 WeakPolarHBondContact O-CB 3.28Å; K202-D206 PolarHBondContact O-N 3.28Å; D206-V208 PolarHBondContact O-N 3.06Å; D206-Y209 PolarHBondContact O-N 3.44Å; D206-D210 WeakPolarHBondContact O-CA 3.37Å; D206-D210 WeakPolarHBondContact O-CB 3.43Å; D206-D210 PolarHBondContact O-N 2.91Å
207	S	91.9	Very high	91.5	Very high	24 Å²	24	56 Å²	56	17%	0.168	28%	0.278	C	S	.	.	H	α-helix	trans	-63.7	-16.2	-179.1	88.1	0	0	0	0	114.3	H98 E203 F204 L205 K217	H98-S207 PolarHBondContact ND1-OG 2.86Å; H98-S207 VanDerWaalsContact ND1-OG 3.08Å; E203-S207 WeakPolarHBondContact O-CB 3.23Å; E203-S207 PolarHBondContact O-N 3.5Å; E203-S207 VanDerWaalsContact O-N 3.15Å; E203-S207 PolarHBondContact O-OG 3.38Å; F204-S207 PolarHBondContact O-N 2.85Å; F204-S207 VanDerWaalsContact O-N 3.14Å; F204-S207 PolarHBondContact O-OG 3.49Å; L205-S207 VanDerWaalsContact C-N 3.3Å; L205-S207 PolarHBondContact O-N 3Å; S207-K217 VanDerWaalsContact CB-NZ 3.31Å; S207-K217 WeakPolarHBondContact O-CD 3.07Å; S207-K217 PolarHBondContact OG-NZ 3.39Å; S207-K217 VanDerWaalsContact OG-NZ 3.08Å
208	V	92.1	Very high	91.2	Very high	6 Å²	6	54.7 Å²	54.7	4%	0.036	27%	0.268	C	S	.	.	H	α-helix	trans	-93.6	-41.5	177.3	173.3	0	0	0	0	111.7	L94 F204 L205 D206 L221	L94-V208 HydrophobicContact CD1-CG1 4.29Å; L94-V208 HydrophobicContact CD2-CG1 4.3Å; L94-V208 HydrophobicContact CD2-CG2 4.26Å; F204-V208 HydrophobicContact CE1-CG2 4.46Å; F204-V208 HydrophobicContact CE2-CG2 4.12Å; F204-V208 HydrophobicContact CZ-CG2 4.1Å; F204-V208 WeakPolarHBondContact O-CG2 3.44Å; F204-V208 PolarHBondContact O-N 2.7Å; L205-V208 PolarHBondContact O-N 3.1Å; L205-V208 VanDerWaalsContact O-N 3.14Å; D206-V208 PolarHBondContact O-N 3.06Å; V208-L221 HydrophobicContact CG1-CB 4.44Å; V208-L221 HydrophobicContact CG1-CD1 3.88Å; V208-L221 HydrophobicContact CG1-CD2 4.01Å; V208-L221 HydrophobicContact CG1-CG 4.33Å
209	Y	90.3	Very high	91.1	Very high	31 Å²	31	56 Å²	56	12%	0.122	28%	0.278	C	S	.	.	H	α-helix	trans	-101.7	-11.1	-173.6	-70.6	-74.9	0	0	0	115.1	I150 F153 A154 Y160 I165 L205 D206 L221	I150-Y209 WeakPolarHBondContact CA-OH 3.42Å; I150-Y209 WeakPolarHBondContact CG2-OH 3.37Å; F153-Y209 HydrophobicContact CB-CD1 4Å; F153-Y209 HydrophobicContact CB-CE1 3.52Å; A154-Y209 HydrophobicContact CB-CE1 4.31Å; Y160-Y209 HydrophobicContact CD2-CD1 4.35Å; Y160-Y209 AromaticContact CD2-CD2 3.55Å; Y160-Y209 HydrophobicContact CD2-CD2 3.55Å; Y160-Y209 HydrophobicContact CD2-CE2 4.31Å; Y160-Y209 AromaticContact CD2-CG 3.58Å; Y160-Y209 HydrophobicContact CD2-CG 3.58Å; Y160-Y209 AromaticContact CE2-CD2 3.6Å; Y160-Y209 HydrophobicContact CE2-CD2 3.6Å; Y160-Y209 HydrophobicContact CE2-CE2 4.36Å; Y160-Y209 HydrophobicContact CE2-CG 4.06Å; Y160-Y209 VanDerWaalsContact CG-CB 3.48Å; Y160-Y209 HydrophobicContact CG-CD2 4.34Å; Y160-Y209 AromaticContact CG-CG 3.95Å; Y160-Y209 HydrophobicContact CG-CG 3.95Å; I165-Y209 HydrophobicContact CD1-CE2 4.48Å; L205-Y209 HydrophobicContact CD2-CE2 4.28Å; L205-Y209 WeakPolarHBondContact O-CD2 3.36Å; L205-Y209 PolarHBondContact O-N 3.23Å; D206-Y209 PolarHBondContact O-N 3.44Å; Y209-L221 HydrophobicContact CD1-CD2 3.94Å; Y209-L221 HydrophobicContact CE1-CD1 4.07Å; Y209-L221 HydrophobicContact CE1-CD2 3.91Å
210	D	85.1	Confident	91.1	Very high	57 Å²	57	57 Å²	57	31%	0.305	28%	0.281	S	S	.	.	S	Bend	trans	-60	140.5	176.8	-168.5	-39.6	0	0	0	110.2	D206 T212 A213	D206-D210 WeakPolarHBondContact O-CA 3.37Å; D206-D210 WeakPolarHBondContact O-CB 3.43Å; D206-D210 PolarHBondContact O-N 2.91Å; D210-T212 PolarHBondContact O-N 3.34Å; D210-T212 WeakPolarHBondContact OD1-CB 3.4Å; D210-T212 PolarHBondContact OD1-N 2.99Å; D210-T212 PolarHBondContact OD1-OG1 3.38Å; D210-T212 PolarHBondContact OD2-OG1 3.22Å; D210-A213 WeakPolarHBondContact O-CB 3.44Å; D210-A213 PolarHBondContact O-N 3.31Å
211	Y	78.7	Confident	90.9	Very high	188 Å²	188	57.7 Å²	57.7	74%	0.737	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.4	176.7	67.4	-83.4	0	0	0	112	A213 K218	Y211-A213 VanDerWaalsContact C-N 3.28Å; Y211-K218 PolarHBondContact O-NZ 3.15Å
212	T	82.6	Confident	90.7	Very high	92 Å²	92	63 Å²	63	56%	0.564	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-1.3	174.5	65	0	0	0	0	113.9	D210 E214	D210-T212 PolarHBondContact O-N 3.34Å; D210-T212 WeakPolarHBondContact OD1-CB 3.4Å; D210-T212 PolarHBondContact OD1-N 2.99Å; D210-T212 PolarHBondContact OD1-OG1 3.38Å; D210-T212 PolarHBondContact OD2-OG1 3.22Å; T212-E214 PolarHBondContact O-N 3.31Å
213	A	85.8	Confident	90.6	Very high	10 Å²	10	61.1 Å²	61.1	8%	0.083	29%	0.293	C	S	.	.			trans	-55.9	140.5	178.8	0	0	0	0	0	111.3	D210 Y211 K218	D210-A213 WeakPolarHBondContact O-CB 3.44Å; D210-A213 PolarHBondContact O-N 3.31Å; Y211-A213 VanDerWaalsContact C-N 3.28Å; A213-K218 WeakPolarHBondContact O-CE 3.37Å; A213-K218 PolarHBondContact O-NZ 3.19Å
214	E	88.6	Confident	90.7	Very high	103 Å²	103	54.7 Å²	54.7	48%	0.481	26%	0.263	S	S	.	.			trans	-54.3	141.5	178	-167.4	-168.5	150	0	0	110.9	T212 T216 K217 K218	T212-E214 PolarHBondContact O-N 3.31Å; E214-T216 PolarHBondContact O-N 3.37Å; E214-T216 VanDerWaalsContact O-N 3.15Å; E214-T216 WeakPolarHBondContact OE1-CB 3.38Å; E214-T216 PolarHBondContact OE1-OG1 3.33Å; E214-K217 HydrophobicContact CB-CG 4.43Å; E214-K217 WeakPolarHBondContact O-CB 3.4Å; E214-K217 PolarHBondContact O-N 2.76Å; E214-K218 PolarHBondContact O-N 3.38Å; E214-K218 VanDerWaalsContact O-N 3.13Å
215	E	88.8	Confident	90.6	Very high	101 Å²	101	54.8 Å²	54.8	47%	0.472	26%	0.264	S	S	.	.	H	α-helix	trans	-57.4	-34.5	-178.1	-167.6	56.5	-143	0	0	112	K217 K218 V219 R222	E215-K217 VanDerWaalsContact C-N 3.33Å; E215-K217 PolarHBondContact O-N 3.44Å; E215-K218 WeakPolarHBondContact O-CB 3.49Å; E215-K218 PolarHBondContact O-N 2.89Å; E215-K218 VanDerWaalsContact O-N 3.15Å; E215-V219 WeakPolarHBondContact O-CG2 3.44Å; E215-V219 PolarHBondContact O-N 3.13Å; E215-R222 IonicContact OE1-CZ 3.54Å; E215-R222 IonicContact OE1-NH1 2.76Å; E215-R222 PolarHBondContact OE1-NH1 2.95Å; E215-R222 IonicContact OE1-NH2 3.33Å; E215-R222 PolarHBondContact OE1-NH2 2.73Å
216	T	91.5	Very high	90.5	Very high	55 Å²	55	60.8 Å²	60.8	34%	0.337	29%	0.29	S	S	.	.	H	α-helix	trans	-57.7	-43.1	174.1	-42.4	0	0	0	0	112.1	L97 E214 V219 Y220	L97-T216 HydrophobicContact CD1-CG2 3.88Å; L97-T216 HydrophobicContact CD2-CG2 4.39Å; E214-T216 PolarHBondContact O-N 3.37Å; E214-T216 VanDerWaalsContact O-N 3.15Å; E214-T216 WeakPolarHBondContact OE1-CB 3.38Å; E214-T216 PolarHBondContact OE1-OG1 3.33Å; T216-V219 PolarHBondContact O-N 3.39Å; T216-Y220 HydrophobicContact CG2-CD2 4.18Å; T216-Y220 HydrophobicContact CG2-CE2 3.71Å; T216-Y220 WeakPolarHBondContact O-CD2 3.47Å; T216-Y220 PolarHBondContact O-N 2.85Å; T216-Y220 VanDerWaalsContact O-N 3.16Å
217	K	91	Very high	90.5	Very high	21 Å²	21	59.5 Å²	59.5	9%	0.091	28%	0.283	C	S	.	.	H	α-helix	trans	-66.7	-40.6	175.8	-67.7	-175	-178.8	-179	0	111.3	L94 L97 S207 E214 E215 V219 Y220 L221	L94-K217 HydrophobicContact CD2-CB 4.31Å; L94-K217 WeakPolarHBondContact CD2-O 3.26Å; L97-K217 HydrophobicContact CB-CD 4.46Å; L97-K217 HydrophobicContact CB-CG 4.05Å; L97-K217 HydrophobicContact CD1-CB 4.4Å; L97-K217 HydrophobicContact CD1-CG 3.53Å; L97-K217 HydrophobicContact CG-CG 4.44Å; L97-K217 WeakPolarHBondContact O-CE 3.31Å; S207-K217 VanDerWaalsContact CB-NZ 3.31Å; S207-K217 WeakPolarHBondContact O-CD 3.07Å; S207-K217 PolarHBondContact OG-NZ 3.39Å; S207-K217 VanDerWaalsContact OG-NZ 3.08Å; E214-K217 HydrophobicContact CB-CG 4.43Å; E214-K217 WeakPolarHBondContact O-CB 3.4Å; E214-K217 PolarHBondContact O-N 2.76Å; E215-K217 VanDerWaalsContact C-N 3.33Å; E215-K217 PolarHBondContact O-N 3.44Å; K217-V219 VanDerWaalsContact C-N 3.32Å; K217-V219 PolarHBondContact O-N 2.93Å; K217-Y220 PolarHBondContact O-N 3.08Å; K217-L221 WeakPolarHBondContact O-CB 3.44Å; K217-L221 PolarHBondContact O-N 3.23Å
218	K	90.3	Very high	90.5	Very high	57 Å²	57	59.1 Å²	59.1	25%	0.248	28%	0.28	C	S	.	.	H	α-helix	trans	-61.1	-40.4	175.8	-67.8	174.3	175.1	162	0	111.7	Y211 A213 E214 E215 L221 R222	Y211-K218 PolarHBondContact O-NZ 3.15Å; A213-K218 WeakPolarHBondContact O-CE 3.37Å; A213-K218 PolarHBondContact O-NZ 3.19Å; E214-K218 PolarHBondContact O-N 3.38Å; E214-K218 VanDerWaalsContact O-N 3.13Å; E215-K218 WeakPolarHBondContact O-CB 3.49Å; E215-K218 PolarHBondContact O-N 2.89Å; E215-K218 VanDerWaalsContact O-N 3.15Å; K218-L221 PolarHBondContact O-N 2.99Å; K218-R222 WeakPolarHBondContact O-CB 3.39Å; K218-R222 VanDerWaalsContact O-CG 3.26Å; K218-R222 WeakPolarHBondContact O-CG 3.29Å; K218-R222 PolarHBondContact O-N 3.14Å
219	V	93.1	Very high	90.6	Very high	75 Å²	75	60.7 Å²	60.7	46%	0.455	29%	0.289	S	S	.	.	H	α-helix	trans	-60.8	-48.7	174.7	171.6	0	0	0	0	111.2	E215 T216 K217 L221 R222 H223	E215-V219 WeakPolarHBondContact O-CG2 3.44Å; E215-V219 PolarHBondContact O-N 3.13Å; T216-V219 PolarHBondContact O-N 3.39Å; K217-V219 VanDerWaalsContact C-N 3.32Å; K217-V219 PolarHBondContact O-N 2.93Å; V219-L221 PolarHBondContact O-N 3.15Å; V219-R222 PolarHBondContact O-N 3.08Å; V219-H223 PolarHBondContact O-N 3.45Å
220	Y	94.1	Very high	90.6	Very high	42 Å²	42	62.1 Å²	62.1	17%	0.165	30%	0.299	C	S	.	.	H	α-helix	trans	-66.9	-35	178.1	-70.2	-56.5	0	0	0	113.2	L19 S93 L97 T216 K217 H223 L224	L19-Y220 HydrophobicContact CD2-CE1 4.25Å; S93-Y220 VanDerWaalsContact CB-CD1 3.46Å; L97-Y220 HydrophobicContact CD1-CD2 3.64Å; L97-Y220 HydrophobicContact CD1-CE2 3.86Å; T216-Y220 HydrophobicContact CG2-CD2 4.18Å; T216-Y220 HydrophobicContact CG2-CE2 3.71Å; T216-Y220 WeakPolarHBondContact O-CD2 3.47Å; T216-Y220 PolarHBondContact O-N 2.85Å; T216-Y220 VanDerWaalsContact O-N 3.16Å; K217-Y220 PolarHBondContact O-N 3.08Å; Y220-H223 PolarHBondContact O-N 3.39Å; Y220-L224 WeakPolarHBondContact O-CB 3.19Å; Y220-L224 PolarHBondContact O-N 3.13Å
221	L	93.7	Very high	90.7	Very high	16 Å²	16	61.2 Å²	61.2	8%	0.084	29%	0.294	C	S	.	.	H	α-helix	trans	-65	-44.1	173.5	-178.5	61	0	0	0	111.3	A154 V208 Y209 K217 K218 V219 H223 L224 T225	A154-L221 HydrophobicContact CB-CD1 4.12Å; A154-L221 HydrophobicContact CB-CD2 4.04Å; A154-L221 HydrophobicContact CB-CG 3.91Å; V208-L221 HydrophobicContact CG1-CB 4.44Å; V208-L221 HydrophobicContact CG1-CD1 3.88Å; V208-L221 HydrophobicContact CG1-CD2 4.01Å; V208-L221 HydrophobicContact CG1-CG 4.33Å; Y209-L221 HydrophobicContact CD1-CD2 3.94Å; Y209-L221 HydrophobicContact CE1-CD1 4.07Å; Y209-L221 HydrophobicContact CE1-CD2 3.91Å; K217-L221 WeakPolarHBondContact O-CB 3.44Å; K217-L221 PolarHBondContact O-N 3.23Å; K218-L221 PolarHBondContact O-N 2.99Å; V219-L221 PolarHBondContact O-N 3.15Å; L221-H223 VanDerWaalsContact C-N 3.31Å; L221-H223 PolarHBondContact O-N 3.29Å; L221-L224 HydrophobicContact CD1-CD2 4.48Å; L221-L224 WeakPolarHBondContact O-CB 3.18Å; L221-L224 PolarHBondContact O-N 3.44Å; L221-T225 WeakPolarHBondContact O-CB 3.41Å; L221-T225 PolarHBondContact O-N 3.42Å; L221-T225 PolarHBondContact O-OG1 3Å; L221-T225 VanDerWaalsContact O-OG1 3.06Å
222	R	93.2	Very high	91.2	Very high	142 Å²	142	53.3 Å²	53.3	54%	0.536	26%	0.264	S	S	.	.	H	α-helix	trans	-60.7	-41.4	174.3	-71.4	175.3	-164.4	123.4	-2.7	111.5	E215 K218 V219 T225 K226	E215-R222 IonicContact OE1-CZ 3.54Å; E215-R222 IonicContact OE1-NH1 2.76Å; E215-R222 PolarHBondContact OE1-NH1 2.95Å; E215-R222 IonicContact OE1-NH2 3.33Å; E215-R222 PolarHBondContact OE1-NH2 2.73Å; K218-R222 WeakPolarHBondContact O-CB 3.39Å; K218-R222 VanDerWaalsContact O-CG 3.26Å; K218-R222 WeakPolarHBondContact O-CG 3.29Å; K218-R222 PolarHBondContact O-N 3.14Å; V219-R222 PolarHBondContact O-N 3.08Å; R222-T225 PolarHBondContact O-N 3.21Å; R222-K226 WeakPolarHBondContact O-CB 3.38Å; R222-K226 PolarHBondContact O-N 3.14Å
223	H	94.1	Very high	91.3	Very high	61 Å²	61	54.2 Å²	54.2	28%	0.282	26%	0.261	S	S	.	.	H	α-helix	trans	-65.3	-45.7	176.3	-170.9	-99.5	0	0	0	111.7	S90 V219 Y220 L221 T225 K226 C227	S90-H223 PolarHBondContact OG-ND1 2.83Å; V219-H223 PolarHBondContact O-N 3.45Å; Y220-H223 PolarHBondContact O-N 3.39Å; L221-H223 VanDerWaalsContact C-N 3.31Å; L221-H223 PolarHBondContact O-N 3.29Å; H223-T225 VanDerWaalsContact C-N 3.35Å; H223-T225 PolarHBondContact O-N 3.02Å; H223-K226 PolarHBondContact O-N 3.4Å; H223-C227 PolarHBondContact O-N 3.42Å; H223-C227 PolarHBondContact O-SG 3.27Å; H223-C227 VanDerWaalsContact O-SG 3.38Å
224	L	94.8	Very high	90.7	Very high	13 Å²	13	59.4 Å²	59.4	7%	0.068	28%	0.284	C	S	.	.	H	α-helix	trans	-54.7	-50.7	173.6	175	59.2	0	0	0	111	S87 L94 I150 Y220 L221 K226 C227 L228	S87-L224 WeakPolarHBondContact O-CD1 3.47Å; L94-L224 HydrophobicContact CD1-CD2 3.86Å; I150-L224 HydrophobicContact CG2-CD2 4.15Å; I150-L224 HydrophobicContact CG2-CG 4.39Å; Y220-L224 WeakPolarHBondContact O-CB 3.19Å; Y220-L224 PolarHBondContact O-N 3.13Å; L221-L224 HydrophobicContact CD1-CD2 4.48Å; L221-L224 WeakPolarHBondContact O-CB 3.18Å; L221-L224 PolarHBondContact O-N 3.44Å; L224-K226 PolarHBondContact O-N 3.07Å; L224-C227 PolarHBondContact O-N 2.72Å; L224-L228 HydrophobicContact CD1-CD1 3.83Å; L224-L228 HydrophobicContact CD1-CG 3.95Å; L224-L228 HydrophobicContact CG-CD1 3.88Å; L224-L228 HydrophobicContact CG-CG 4.38Å; L224-L228 WeakPolarHBondContact O-CB 3.46Å; L224-L228 WeakPolarHBondContact O-CG 3.14Å; L224-L228 PolarHBondContact O-N 3.15Å
225	T	93.7	Very high	89.6	Confident	9 Å²	9	58.1 Å²	58.1	6%	0.055	28%	0.283	C	S	.	.	H	α-helix	trans	-59.1	-46.3	178.4	-65.8	0	0	0	0	111.5	I151 A154 Q155 L221 R222 H223 C227 L228 T229	I151-T225 HydrophobicContact CB-CG2 4.32Å; I151-T225 HydrophobicContact CG1-CG2 4.17Å; I151-T225 HydrophobicContact CG2-CG2 4.14Å; A154-T225 HydrophobicContact CB-CG2 4.34Å; A154-T225 WeakPolarHBondContact CB-OG1 3.32Å; Q155-T225 HydrophobicContact CG-CG2 3.95Å; L221-T225 WeakPolarHBondContact O-CB 3.41Å; L221-T225 PolarHBondContact O-N 3.42Å; L221-T225 PolarHBondContact O-OG1 3Å; L221-T225 VanDerWaalsContact O-OG1 3.06Å; R222-T225 PolarHBondContact O-N 3.21Å; H223-T225 VanDerWaalsContact C-N 3.35Å; H223-T225 PolarHBondContact O-N 3.02Å; T225-C227 VanDerWaalsContact C-N 3.35Å; T225-C227 PolarHBondContact O-N 3.33Å; T225-L228 PolarHBondContact O-N 3.1Å; T225-T229 PolarHBondContact O-N 3.4Å; T225-T229 PolarHBondContact O-OG1 3.15Å
226	K	93.9	Very high	87.9	Confident	135 Å²	135	64 Å²	64	59%	0.587	31%	0.307	S	S	*	.	H	α-helix	trans	-58	-46.1	176.3	-177.8	178.1	-179.2	175.8	0	111.8	R222 H223 L224 L230	R222-K226 WeakPolarHBondContact O-CB 3.38Å; R222-K226 PolarHBondContact O-N 3.14Å; H223-K226 PolarHBondContact O-N 3.4Å; L224-K226 PolarHBondContact O-N 3.07Å; K226-L230 WeakPolarHBondContact O-CG 3.06Å; K226-L230 PolarHBondContact O-N 3.29Å
227	C	92.5	Very high	87.8	Confident	11 Å²	11	64.5 Å²	64.5	7%	0.074	31%	0.306	C	S	.	.	H	α-helix	trans	-65.9	-40.5	178.3	-68	0	0	0	0	112.1	S87 H223 L224 T225 L231	S87-C227 WeakPolarHBondContact OG-CB 3.25Å; H223-C227 PolarHBondContact O-N 3.42Å; H223-C227 PolarHBondContact O-SG 3.27Å; H223-C227 VanDerWaalsContact O-SG 3.38Å; L224-C227 PolarHBondContact O-N 2.72Å; T225-C227 VanDerWaalsContact C-N 3.35Å; T225-C227 PolarHBondContact O-N 3.33Å; C227-L231 WeakPolarHBondContact O-CB 3.2Å; C227-L231 PolarHBondContact O-N 3.05Å
228	L	93	Very high	87.6	Confident	17 Å²	17	66.8 Å²	66.8	9%	0.089	32%	0.317	C	S	.	.	H	α-helix	trans	-66.3	-44.4	177.1	-72.7	175	0	0	0	112	S87 I150 I151 L224 T225 L230 L231 M232	S87-L228 PolarHBondContact OG-N 3.41Å; I150-L228 HydrophobicContact CB-CD1 3.95Å; I150-L228 HydrophobicContact CD1-CD1 4.17Å; I150-L228 HydrophobicContact CG2-CD1 3.56Å; I151-L228 HydrophobicContact CD1-CB 3.87Å; I151-L228 HydrophobicContact CG1-CB 3.91Å; L224-L228 HydrophobicContact CD1-CD1 3.83Å; L224-L228 HydrophobicContact CD1-CG 3.95Å; L224-L228 HydrophobicContact CG-CD1 3.88Å; L224-L228 HydrophobicContact CG-CG 4.38Å; L224-L228 WeakPolarHBondContact O-CB 3.46Å; L224-L228 WeakPolarHBondContact O-CG 3.14Å; L224-L228 PolarHBondContact O-N 3.15Å; T225-L228 PolarHBondContact O-N 3.1Å; L228-L230 VanDerWaalsContact C-N 3.3Å; L228-L230 PolarHBondContact O-N 3.46Å; L228-L231 WeakPolarHBondContact O-CB 3.05Å; L228-L231 PolarHBondContact O-N 3.17Å; L228-M232 VanDerWaalsContact O-CG 3.27Å; L228-M232 WeakPolarHBondContact O-CG 3.48Å; L228-M232 PolarHBondContact O-N 3.22Å
229	T	92.8	Very high	87.4	Confident	38 Å²	38	67.3 Å²	67.3	23%	0.233	32%	0.321	C	S	.	.	H	α-helix	trans	-55.1	-48.4	176.8	-60.1	0	0	0	0	110.7	T225 L231 M232 E233	T225-T229 PolarHBondContact O-N 3.4Å; T225-T229 PolarHBondContact O-OG1 3.15Å; T229-L231 VanDerWaalsContact C-N 3.3Å; T229-L231 PolarHBondContact O-N 2.85Å; T229-M232 PolarHBondContact O-N 2.79Å; T229-E233 WeakPolarHBondContact O-CG 3.21Å; T229-E233 PolarHBondContact O-N 3.07Å
230	L	90.8	Very high	87.1	Confident	62 Å²	62	66.9 Å²	66.9	33%	0.325	31%	0.313	S	S	.	.	H	α-helix	trans	-64.3	-32.8	177.3	-66.5	173.3	0	0	0	112.8	R83 K226 L228	R83-L230 HydrophobicContact CG-CB 4.44Å; R83-L230 PolarHBondContact NH1-O 3.01Å; K226-L230 WeakPolarHBondContact O-CG 3.06Å; K226-L230 PolarHBondContact O-N 3.29Å; L228-L230 VanDerWaalsContact C-N 3.3Å; L228-L230 PolarHBondContact O-N 3.46Å
231	L	88.3	Confident	86.7	Confident	38 Å²	38	68.4 Å²	68.4	20%	0.199	32%	0.322	C	S	.	.	H	α-helix	trans	-72.1	-39.6	176.5	-173.3	66.4	0	0	0	111.6	R83 A84 C227 L228 T229 Q234 T235	R83-L231 HydrophobicContact CB-CB 4.36Å; R83-L231 HydrophobicContact CB-CD1 4.17Å; A84-L231 HydrophobicContact CB-CD1 4.15Å; A84-L231 HydrophobicContact CB-CD2 4.06Å; C227-L231 WeakPolarHBondContact O-CB 3.2Å; C227-L231 PolarHBondContact O-N 3.05Å; L228-L231 WeakPolarHBondContact O-CB 3.05Å; L228-L231 PolarHBondContact O-N 3.17Å; T229-L231 VanDerWaalsContact C-N 3.3Å; T229-L231 PolarHBondContact O-N 2.85Å; L231-Q234 PolarHBondContact O-N 2.54Å; L231-T235 PolarHBondContact O-OG1 2.92Å; L231-T235 VanDerWaalsContact O-OG1 3.05Å
232	M	87.7	Confident	86.2	Confident	22 Å²	22	71.9 Å²	71.9	11%	0.108	34%	0.338	C	S	.	.	H	α-helix	trans	-72.3	-28.3	-178.8	-65.1	-53.5	98.6	0	0	112.8	R144 L148 I151 L228 T229 Q234 T235	R144-M232 HydrophobicContact CB-SD 4.28Å; R144-M232 HydrophobicContact CG-SD 3.79Å; R144-M232 PolarHBondContact NH1-O 3.15Å; L148-M232 HydrophobicContact CD2-CB 4.33Å; L148-M232 HydrophobicContact CD2-CG 4.19Å; L148-M232 HydrophobicContact CG-CG 4.49Å; I151-M232 HydrophobicContact CD1-CG 4.06Å; L228-M232 VanDerWaalsContact O-CG 3.27Å; L228-M232 WeakPolarHBondContact O-CG 3.48Å; L228-M232 PolarHBondContact O-N 3.22Å; T229-M232 PolarHBondContact O-N 2.79Å; M232-Q234 VanDerWaalsContact C-N 3.34Å; M232-T235 WeakPolarHBondContact CA-OG1 3.49Å; M232-T235 PolarHBondContact O-N 2.82Å; M232-T235 PolarHBondContact O-OG1 3.03Å; M232-T235 VanDerWaalsContact O-OG1 3.08Å
233	E	85.2	Confident	85.7	Confident	110 Å²	110	66.9 Å²	66.9	51%	0.514	32%	0.324	S	S	.	.	H	α-helix	trans	-66.8	-32	174.2	-76.7	171.9	177	0	0	113.3	T229 T235	T229-E233 WeakPolarHBondContact O-CG 3.21Å; T229-E233 PolarHBondContact O-N 3.07Å; E233-T235 VanDerWaalsContact C-N 3.33Å
234	Q	72.9	Confident	85	Confident	119 Å²	119	67.4 Å²	67.4	56%	0.556	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-11.7	-179.8	-69	-176.2	-45.6	0	0	113.9	R83 L231 M232	R83-Q234 VanDerWaalsContact CZ-CD 3.47Å; R83-Q234 VanDerWaalsContact CZ-NE2 3.3Å; L231-Q234 PolarHBondContact O-N 2.54Å; M232-Q234 VanDerWaalsContact C-N 3.34Å
235	T	67	Low	84.2	Confident	76 Å²	76	71.9 Å²	71.9	47%	0.466	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	19.5	-172.6	42.2	0	0	0	0	112.5	R144 L231 M232 E233	R144-T235 PolarHBondContact NH1-O 3.41Å; R144-T235 PolarHBondContact NH1-OG1 2.8Å; L231-T235 PolarHBondContact O-OG1 2.92Å; L231-T235 VanDerWaalsContact O-OG1 3.05Å; M232-T235 WeakPolarHBondContact CA-OG1 3.49Å; M232-T235 PolarHBondContact O-N 2.82Å; M232-T235 PolarHBondContact O-OG1 3.03Å; M232-T235 VanDerWaalsContact O-OG1 3.08Å; E233-T235 VanDerWaalsContact C-N 3.33Å
236	K	53	Low	83.4	Confident	226 Å²	226	77.6 Å²	77.6	98%	0.983	38%	0.376	S	S	*	.			trans	-75.5	0	168.1	-69.7	-177.1	179.3	178.6	0	110.3

Retrieved 236 of 236 residues in 250.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).