A0A087Y4D8_POEFO Loading...

Vacuolar protein sorting-associated protein 28 homolog

Component of the ESCRT-I complex (endosomal sorting complex required for transport I), a regulator of vesicular trafficking process.

AlphaFold DB , UniProt , Accession A0A087Y4D8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 223 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	43	Very low	224 Å²	224	133.8 Å²	133.8	100%	1.103	87%	0.868	S	S	*	*				0	101.5	0	-74.2	175.5	-170.3	0	0	107.9
2	F	39.1	Very low	43.8	Very low	218 Å²	218	129 Å²	129	96%	0.956	86%	0.861	S	S	*	*			trans	-75.4	123	174.9	-77.4	-91.4	0	0	0	108.6
3	H	40.5	Very low	44.9	Very low	180 Å²	180	126.4 Å²	126.4	83%	0.833	86%	0.855	S	S	*	*			trans	-87.9	107.5	169.6	-81.7	72.4	0	0	0	108.2
4	G	39.1	Very low	46	Very low	78 Å²	78	123.4 Å²	123.4	80%	0.804	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-70.2	137	173.7	0	0	0	0	0	111.3
5	I	45.8	Very low	47.2	Very low	171 Å²	171	123.5 Å²	123.5	88%	0.877	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-83.2	125.5	170.7	-67.6	169.2	0	0	0	107.8	G7	I5-G7 PolarHBondContact O-N 3.32Å
6	A	41.5	Very low	48.9	Very low	91 Å²	91	120.9 Å²	120.9	75%	0.752	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-64.6	128.8	177.5	0	0	0	0	0	110.9	S8	A6-S8 PolarHBondContact O-N 3.14Å
7	G	47.1	Very low	50.9	Low	85 Å²	85	121 Å²	121	88%	0.876	82%	0.821	S	S	*	*			trans	-73.8	114.5	170.5	0	0	0	0	0	110.6	I5	I5-G7 PolarHBondContact O-N 3.32Å
8	S	42.9	Very low	53	Low	115 Å²	115	120.7 Å²	120.7	80%	0.804	80%	0.803	S	S	*	*			trans	-95.9	117.1	159.4	50.1	0	0	0	0	108.5	A6 G10	A6-S8 PolarHBondContact O-N 3.14Å; S8-G10 PolarHBondContact O-N 2.97Å
9	G	48.9	Very low	54.8	Low	90 Å²	90	118.6 Å²	118.6	93%	0.928	79%	0.789	S	S	*	*			trans	-60.9	115.7	173.5	0	0	0	0	0	110.6
10	G	42.2	Very low	56.5	Low	67 Å²	67	118.3 Å²	118.3	69%	0.691	78%	0.776	S	S	*	*			trans	-126.4	122.8	166.1	0	0	0	0	0	108	S8 G12	S8-G10 PolarHBondContact O-N 2.97Å; G10-G12 PolarHBondContact O-N 2.75Å
11	V	46.5	Very low	58.2	Low	153 Å²	153	118.9 Å²	118.9	93%	0.927	77%	0.772	S	S	*	*			trans	-37	126.9	177.3	-175.7	0	0	0	0	111.4	A13	V11-A13 PolarHBondContact O-N 3.32Å
12	G	52.6	Low	60.7	Low	76 Å²	76	116.8 Å²	116.8	78%	0.784	75%	0.752	S	S	*	*			trans	-52.7	105.2	-173	0	0	0	0	0	113.6	G10 A14	G10-G12 PolarHBondContact O-N 2.75Å; G12-A14 PolarHBondContact O-N 3.4Å
13	A	57.4	Low	63.3	Low	95 Å²	95	113.8 Å²	113.8	79%	0.785	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-71	119	152.1	0	0	0	0	0	106.7	V11	V11-A13 PolarHBondContact O-N 3.32Å
14	A	60.5	Low	65.8	Low	84 Å²	84	114.1 Å²	114.1	69%	0.694	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-49.1	138	167	0	0	0	0	0	108.4	G12 A16	G12-A14 PolarHBondContact O-N 3.4Å; A14-A16 PolarHBondContact O-N 3.24Å
15	P	64.6	Low	68.5	Low	125 Å²	125	117.3 Å²	117.3	81%	0.812	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-53.3	119	177	21.9	-30.9	0	0	0	107.6	N17	P15-N17 PolarHBondContact O-N 3.22Å
16	A	73.6	Confident	70.9	Confident	82 Å²	82	116.8 Å²	116.8	68%	0.678	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-52.4	119	-179	0	0	0	0	0	107.9	A14 K18	A14-A16 PolarHBondContact O-N 3.24Å; A16-K18 PolarHBondContact O-N 3.15Å; A16-K18 VanDerWaalsContact O-N 3.12Å
17	N	83.3	Confident	73.4	Confident	123 Å²	123	117.8 Å²	117.8	66%	0.658	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-63	117.5	180	-170.6	14.4	0	0	0	108	P15 P19 Y22	P15-N17 PolarHBondContact O-N 3.22Å; N17-P19 WeakPolarHBondContact O-CD 3.39Å; N17-Y22 WeakPolarHBondContact OD1-CE2 3.5Å; N17-Y22 PolarHBondContact OD1-OH 3.07Å
18	K	87.9	Confident	75.8	Confident	115 Å²	115	118.5 Å²	118.5	50%	0.5	71%	0.707	S	S	.	*			trans	-103	85.6	-178.1	-76	-173.3	-178	-174.6	0	109.5	A16 E20 L21 Y22	A16-K18 PolarHBondContact O-N 3.15Å; A16-K18 VanDerWaalsContact O-N 3.12Å; K18-E20 WeakPolarHBondContact CA-OE2 3.45Å; K18-E20 WeakPolarHBondContact CB-OE1 3.11Å; K18-E20 WeakPolarHBondContact CG-OE1 3.31Å; K18-E20 PolarHBondContact O-N 3.31Å; K18-E20 VanDerWaalsContact O-N 3.16Å; K18-L21 HydrophobicContact CB-CD1 3.79Å; K18-L21 HydrophobicContact CB-CG 3.94Å; K18-L21 HydrophobicContact CD-CD1 4.01Å; K18-L21 PolarHBondContact O-N 2.67Å; K18-L21 VanDerWaalsContact O-N 3.1Å; K18-Y22 WeakPolarHBondContact O-CD2 3.3Å; K18-Y22 WeakPolarHBondContact O-CE2 3.17Å
19	P	87.1	Confident	78.3	Confident	81 Å²	81	121.8 Å²	121.8	53%	0.526	71%	0.707	S	S	.	*	G	3₁₀ helix	trans	-57.7	-29.5	-173.5	23.7	-34.3	0	0	0	113.1	N17 L21 Y22	N17-P19 WeakPolarHBondContact O-CD 3.39Å; P19-L21 PolarHBondContact O-N 3Å; P19-L21 VanDerWaalsContact O-N 3.14Å; P19-Y22 PolarHBondContact O-N 3.43Å; P19-Y22 VanDerWaalsContact O-N 3.08Å
20	E	90.1	Very high	80.6	Confident	113 Å²	113	121 Å²	121	53%	0.528	68%	0.682	S	S	.	*	G	3₁₀ helix	trans	-62.3	-19.4	178.6	70.5	-81	-170.4	0	0	114.1	K18 Y22	K18-E20 WeakPolarHBondContact CA-OE2 3.45Å; K18-E20 WeakPolarHBondContact CB-OE1 3.11Å; K18-E20 WeakPolarHBondContact CG-OE1 3.31Å; K18-E20 PolarHBondContact O-N 3.31Å; K18-E20 VanDerWaalsContact O-N 3.16Å; E20-Y22 VanDerWaalsContact C-N 3.32Å
21	L	91.3	Very high	83.2	Confident	131 Å²	131	121 Å²	121	69%	0.686	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-82.2	-10.4	178	-60.6	-178.6	0	0	0	113.2	K18 P19	K18-L21 HydrophobicContact CB-CD1 3.79Å; K18-L21 HydrophobicContact CB-CG 3.94Å; K18-L21 HydrophobicContact CD-CD1 4.01Å; K18-L21 PolarHBondContact O-N 2.67Å; K18-L21 VanDerWaalsContact O-N 3.1Å; P19-L21 PolarHBondContact O-N 3Å; P19-L21 VanDerWaalsContact O-N 3.14Å
22	Y	93.1	Very high	85.5	Confident	179 Å²	179	124 Å²	124	70%	0.702	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-99.7	0	-179.2	-55.8	-86.9	0	0	0	113	N17 K18 P19 E20	N17-Y22 WeakPolarHBondContact OD1-CE2 3.5Å; N17-Y22 PolarHBondContact OD1-OH 3.07Å; K18-Y22 WeakPolarHBondContact O-CD2 3.3Å; K18-Y22 WeakPolarHBondContact O-CE2 3.17Å; P19-Y22 PolarHBondContact O-N 3.43Å; P19-Y22 VanDerWaalsContact O-N 3.08Å; E20-Y22 VanDerWaalsContact C-N 3.32Å
23	E	93.5	Very high	87.5	Confident	156 Å²	156	123.7 Å²	123.7	73%	0.729	65%	0.648	S	S	*	*	S	Bend	trans	-117	138.5	178.8	-65.6	-172.8	179.6	0	0	111.5	V25	E23-V25 PolarHBondContact O-N 2.92Å
24	E	93.4	Very high	89.3	Confident	187 Å²	187	125.6 Å²	125.6	87%	0.874	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-71.8	128.2	173.8	-69.1	-176	175.8	0	0	111.4
25	V	95.4	Very high	91	Very high	144 Å²	144	126.8 Å²	126.8	87%	0.873	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-76.3	128.8	177.3	-175.9	0	0	0	0	110.2	E23	E23-V25 PolarHBondContact O-N 2.92Å
26	K	95.8	Very high	92.4	Very high	160 Å²	160	124.5 Å²	124.5	70%	0.696	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-98.5	139.5	174.4	-62.8	-176.5	-179.5	178.4	0	111	Y28	K26-Y28 VanDerWaalsContact C-N 3.3Å; K26-Y28 PolarHBondContact O-N 2.92Å
27	L	94.8	Very high	93.4	Very high	112 Å²	112	124.1 Å²	124.1	59%	0.586	59%	0.585	S	S	*	*	S	Bend	trans	-64.9	-34.9	178.3	-175.8	61.4	0	0	0	112.4	Y37	L27-Y37 HydrophobicContact CD1-CD1 4.01Å; L27-Y37 HydrophobicContact CD1-CD2 4.37Å; L27-Y37 HydrophobicContact CD1-CE1 3.65Å; L27-Y37 HydrophobicContact CD1-CE2 4.07Å; L27-Y37 HydrophobicContact CD1-CG 4.35Å; L27-Y37 HydrophobicContact CD2-CD1 4.01Å; L27-Y37 HydrophobicContact CD2-CD2 4.25Å; L27-Y37 HydrophobicContact CD2-CE1 4.5Å; L27-Y37 HydrophobicContact CD2-CG 3.87Å; L27-Y37 HydrophobicContact CG-CD1 4.01Å; L27-Y37 HydrophobicContact CG-CD2 3.77Å; L27-Y37 HydrophobicContact CG-CE1 4.08Å; L27-Y37 HydrophobicContact CG-CE2 3.88Å; L27-Y37 HydrophobicContact CG-CG 3.86Å; L27-Y37 WeakPolarHBondContact O-CE2 3.39Å
28	Y	96.3	Very high	94.1	Very high	100 Å²	100	123.3 Å²	123.3	39%	0.392	58%	0.581	S	S	.	*			trans	-135.4	154.9	177.7	58.7	-97.6	0	0	0	111	K26 E33 R34	K26-Y28 VanDerWaalsContact C-N 3.3Å; K26-Y28 PolarHBondContact O-N 2.92Å; Y28-E33 WeakPolarHBondContact CA-OE2 3.26Å; Y28-R34 HydrophobicContact CD1-CB 4.04Å; Y28-R34 HydrophobicContact CD1-CG 4.04Å; Y28-R34 HydrophobicContact CD2-CB 3.78Å; Y28-R34 HydrophobicContact CD2-CG 4.25Å; Y28-R34 HydrophobicContact CE1-CB 4.22Å; Y28-R34 HydrophobicContact CE1-CG 3.75Å; Y28-R34 HydrophobicContact CE2-CB 3.98Å; Y28-R34 HydrophobicContact CE2-CG 3.98Å; Y28-R34 HydrophobicContact CG-CB 3.81Å; Y28-R34 HydrophobicContact CG-CG 4.28Å
29	K	95.9	Very high	94.5	Very high	185 Å²	185	119.2 Å²	119.2	80%	0.804	56%	0.564	S	S	*	*	S	Bend	trans	-118.5	-10.6	177.9	-61.2	-176.8	-178.4	-178	0	113.2	E33	K29-E33 PolarHBondContact N-OE2 3.39Å
30	N	96.8	Very high	95	Very high	73 Å²	73	115.9 Å²	115.9	39%	0.39	54%	0.541	S	S	.	.	S	Bend	trans	-146	168.8	-179.5	59.7	65.3	0	0	0	112.2	R32 E33 R34	N30-R32 VanDerWaalsContact C-N 3.31Å; N30-R32 PolarHBondContact O-N 3.26Å; N30-R32 WeakPolarHBondContact OD1-CB 3.38Å; N30-R32 PolarHBondContact OD1-N 2.89Å; N30-E33 PolarHBondContact ND2-OE1 2.96Å; N30-E33 PolarHBondContact O-N 3.03Å; N30-E33 WeakPolarHBondContact OD1-CG 3.46Å; N30-E33 PolarHBondContact OD1-N 3.37Å; N30-R34 PolarHBondContact O-N 3.48Å; N30-R34 VanDerWaalsContact O-N 3.08Å
31	A	96.8	Very high	95.3	Very high	67 Å²	67	113.1 Å²	113.1	55%	0.554	54%	0.538	S	S	*	.	H	α-helix	trans	-62.1	-35.8	-177.2	0	0	0	0	0	113.2	R34 E35	A31-R34 PolarHBondContact O-N 2.86Å; A31-E35 PolarHBondContact O-N 3.26Å
32	R	94.6	Very high	95.6	Very high	217 Å²	217	112 Å²	112	82%	0.819	53%	0.529	S	S	*	.	H	α-helix	trans	-67.5	-43.2	179.3	-178.2	-178.5	178.8	-176.2	-0.1	112	N30 R34 K36	N30-R32 VanDerWaalsContact C-N 3.31Å; N30-R32 PolarHBondContact O-N 3.26Å; N30-R32 WeakPolarHBondContact OD1-CB 3.38Å; N30-R32 PolarHBondContact OD1-N 2.89Å; R32-R34 VanDerWaalsContact C-N 3.34Å; R32-K36 WeakPolarHBondContact O-CB 3.42Å; R32-K36 PolarHBondContact O-N 2.76Å
33	E	94.6	Very high	95.9	Very high	68 Å²	68	103.5 Å²	103.5	32%	0.318	50%	0.496	S	S	.	.	H	α-helix	trans	-64.1	-40.8	174.4	-77.8	168.1	-159	0	0	111.3	Y28 K29 N30 K36 Y37	Y28-E33 WeakPolarHBondContact CA-OE2 3.26Å; K29-E33 PolarHBondContact N-OE2 3.39Å; N30-E33 PolarHBondContact ND2-OE1 2.96Å; N30-E33 PolarHBondContact O-N 3.03Å; N30-E33 WeakPolarHBondContact OD1-CG 3.46Å; N30-E33 PolarHBondContact OD1-N 3.37Å; E33-K36 WeakPolarHBondContact O-CB 3.28Å; E33-K36 PolarHBondContact O-N 3.14Å; E33-Y37 HydrophobicContact CB-CE2 4.49Å; E33-Y37 WeakPolarHBondContact O-CD2 3.32Å; E33-Y37 PolarHBondContact O-N 2.77Å
34	R	96.4	Very high	96.1	Very high	136 Å²	136	99.6 Å²	99.6	51%	0.513	48%	0.477	S	S	.	.	H	α-helix	trans	-58.4	-50.8	176.4	-172.5	176.4	68	-166.4	1.7	111.6	Y28 N30 A31 R32 K36 Y37 D38	Y28-R34 HydrophobicContact CD1-CB 4.04Å; Y28-R34 HydrophobicContact CD1-CG 4.04Å; Y28-R34 HydrophobicContact CD2-CB 3.78Å; Y28-R34 HydrophobicContact CD2-CG 4.25Å; Y28-R34 HydrophobicContact CE1-CB 4.22Å; Y28-R34 HydrophobicContact CE1-CG 3.75Å; Y28-R34 HydrophobicContact CE2-CB 3.98Å; Y28-R34 HydrophobicContact CE2-CG 3.98Å; Y28-R34 HydrophobicContact CG-CB 3.81Å; Y28-R34 HydrophobicContact CG-CG 4.28Å; N30-R34 PolarHBondContact O-N 3.48Å; N30-R34 VanDerWaalsContact O-N 3.08Å; A31-R34 PolarHBondContact O-N 2.86Å; R32-R34 VanDerWaalsContact C-N 3.34Å; R34-K36 VanDerWaalsContact C-N 3.31Å; R34-K36 PolarHBondContact O-N 3.16Å; R34-Y37 PolarHBondContact O-N 3.08Å; R34-D38 PolarHBondContact O-N 3.26Å
35	E	95.5	Very high	96.3	Very high	109 Å²	109	92.7 Å²	92.7	51%	0.509	45%	0.452	S	S	.	.	H	α-helix	trans	-57.3	-44.5	176.7	-174	67.1	-164.1	0	0	111.8	A31 Y37 D38 N39	A31-E35 PolarHBondContact O-N 3.26Å; E35-Y37 PolarHBondContact O-N 3.3Å; E35-D38 WeakPolarHBondContact O-CB 3.44Å; E35-D38 PolarHBondContact O-N 2.95Å; E35-N39 PolarHBondContact O-N 2.93Å; E35-N39 PolarHBondContact O-ND2 3.44Å
36	K	94.1	Very high	96.5	Very high	76 Å²	76	86 Å²	86	33%	0.33	41%	0.412	S	S	.	.	H	α-helix	trans	-57.6	-47.6	176.5	175.5	-176.3	178.5	179.4	0	111.7	R32 E33 R34 D38 M40 D89	R32-K36 WeakPolarHBondContact O-CB 3.42Å; R32-K36 PolarHBondContact O-N 2.76Å; E33-K36 WeakPolarHBondContact O-CB 3.28Å; E33-K36 PolarHBondContact O-N 3.14Å; R34-K36 VanDerWaalsContact C-N 3.31Å; R34-K36 PolarHBondContact O-N 3.16Å; K36-D38 VanDerWaalsContact C-N 3.32Å; K36-M40 HydrophobicContact CD-CE 4.22Å; K36-M40 HydrophobicContact CG-CE 3.85Å; K36-M40 HydrophobicContact CG-SD 4.05Å; K36-M40 WeakPolarHBondContact O-CB 3.43Å; K36-M40 VanDerWaalsContact O-CG 3.22Å; K36-M40 WeakPolarHBondContact O-CG 3.46Å; K36-M40 PolarHBondContact O-N 3.2Å; K36-D89 IonicContact NZ-OD2 2.76Å; K36-D89 PolarHBondContact NZ-OD2 2.63Å
37	Y	95.6	Very high	96.6	Very high	74 Å²	74	78.4 Å²	78.4	29%	0.29	38%	0.378	S	S	.	.	H	α-helix	trans	-69.7	-30.1	179.6	-75.4	-65.1	0	0	0	112.9	L27 E33 R34 E35 M40 A41	L27-Y37 HydrophobicContact CD1-CD1 4.01Å; L27-Y37 HydrophobicContact CD1-CD2 4.37Å; L27-Y37 HydrophobicContact CD1-CE1 3.65Å; L27-Y37 HydrophobicContact CD1-CE2 4.07Å; L27-Y37 HydrophobicContact CD1-CG 4.35Å; L27-Y37 HydrophobicContact CD2-CD1 4.01Å; L27-Y37 HydrophobicContact CD2-CD2 4.25Å; L27-Y37 HydrophobicContact CD2-CE1 4.5Å; L27-Y37 HydrophobicContact CD2-CG 3.87Å; L27-Y37 HydrophobicContact CG-CD1 4.01Å; L27-Y37 HydrophobicContact CG-CD2 3.77Å; L27-Y37 HydrophobicContact CG-CE1 4.08Å; L27-Y37 HydrophobicContact CG-CE2 3.88Å; L27-Y37 HydrophobicContact CG-CG 3.86Å; L27-Y37 WeakPolarHBondContact O-CE2 3.39Å; E33-Y37 HydrophobicContact CB-CE2 4.49Å; E33-Y37 WeakPolarHBondContact O-CD2 3.32Å; E33-Y37 PolarHBondContact O-N 2.77Å; R34-Y37 PolarHBondContact O-N 3.08Å; E35-Y37 PolarHBondContact O-N 3.3Å; Y37-M40 HydrophobicContact CD1-SD 4.3Å; Y37-M40 PolarHBondContact O-N 2.96Å; Y37-A41 VanDerWaalsContact O-CB 3.31Å; Y37-A41 WeakPolarHBondContact O-CB 3.4Å; Y37-A41 PolarHBondContact O-N 3.46Å
38	D	97.3	Very high	96.8	Very high	107 Å²	107	78 Å²	78	57%	0.572	37%	0.372	S	S	*	.	H	α-helix	trans	-64	-49.8	174.4	-155.9	46.2	0	0	0	110.9	R34 E35 K36 M40 A41 E42	R34-D38 PolarHBondContact O-N 3.26Å; E35-D38 WeakPolarHBondContact O-CB 3.44Å; E35-D38 PolarHBondContact O-N 2.95Å; K36-D38 VanDerWaalsContact C-N 3.32Å; D38-M40 VanDerWaalsContact C-N 3.32Å; D38-M40 PolarHBondContact O-N 3.46Å; D38-A41 WeakPolarHBondContact O-CB 3.02Å; D38-A41 PolarHBondContact O-N 3.47Å; D38-A41 VanDerWaalsContact O-N 3.11Å; D38-E42 PolarHBondContact O-N 3.38Å
39	N	96.5	Very high	96.9	Very high	28 Å²	28	76.7 Å²	76.7	15%	0.15	37%	0.374	C	S	.	.	H	α-helix	trans	-62	-38.9	176	-64.9	-26.6	0	0	0	112.3	E35 E42 L43 Q84 V85	E35-N39 PolarHBondContact O-N 2.93Å; E35-N39 PolarHBondContact O-ND2 3.44Å; N39-E42 PolarHBondContact O-N 3.41Å; N39-L43 PolarHBondContact O-N 2.71Å; N39-Q84 HydrophobicContact CB-CB 4.34Å; N39-Q84 PolarHBondContact OD1-OE1 3.47Å; N39-V85 HydrophobicContact CB-CG2 4Å; N39-V85 VanDerWaalsContact O-CG2 3.31Å; N39-V85 WeakPolarHBondContact O-CG2 3.47Å
40	M	96.9	Very high	97	Very high	11 Å²	11	67.9 Å²	67.9	5%	0.054	34%	0.336	C	S	.	.	H	α-helix	trans	-65.8	-38.9	174.8	-72.5	177.2	170.2	0	0	112.2	K36 Y37 D38 F44 V85 V90 F96 Y100	K36-M40 HydrophobicContact CD-CE 4.22Å; K36-M40 HydrophobicContact CG-CE 3.85Å; K36-M40 HydrophobicContact CG-SD 4.05Å; K36-M40 WeakPolarHBondContact O-CB 3.43Å; K36-M40 VanDerWaalsContact O-CG 3.22Å; K36-M40 WeakPolarHBondContact O-CG 3.46Å; K36-M40 PolarHBondContact O-N 3.2Å; Y37-M40 HydrophobicContact CD1-SD 4.3Å; Y37-M40 PolarHBondContact O-N 2.96Å; D38-M40 VanDerWaalsContact C-N 3.32Å; D38-M40 PolarHBondContact O-N 3.46Å; M40-F44 WeakPolarHBondContact O-CB 3.42Å; M40-F44 PolarHBondContact O-N 3.33Å; M40-V85 HydrophobicContact CE-CG1 4.24Å; M40-V85 HydrophobicContact CG-CG1 3.92Å; M40-V85 HydrophobicContact CG-CG2 4.19Å; M40-V90 HydrophobicContact CE-CG2 4.28Å; M40-F96 HydrophobicContact CB-CE2 4.07Å; M40-F96 HydrophobicContact CB-CZ 4.37Å; M40-F96 HydrophobicContact CG-CE2 4.02Å; M40-F96 WeakPolarHBondContact O-CZ 3.5Å; M40-Y100 HydrophobicContact SD-CE2 4.48Å; M40-Y100 PolarHBondContact SD-OH 3.46Å
41	A	97.6	Very high	97.1	Very high	56 Å²	56	64.9 Å²	64.9	46%	0.463	32%	0.32	S	S	.	.	H	α-helix	trans	-64.5	-41.7	176.6	0	0	0	0	0	111	Y37 D38 F44 A45	Y37-A41 VanDerWaalsContact O-CB 3.31Å; Y37-A41 WeakPolarHBondContact O-CB 3.4Å; Y37-A41 PolarHBondContact O-N 3.46Å; D38-A41 WeakPolarHBondContact O-CB 3.02Å; D38-A41 PolarHBondContact O-N 3.47Å; D38-A41 VanDerWaalsContact O-N 3.11Å; A41-F44 PolarHBondContact O-N 3.3Å; A41-A45 WeakPolarHBondContact O-CB 3.34Å; A41-A45 PolarHBondContact O-N 2.63Å
42	E	97.8	Very high	97.2	Very high	107 Å²	107	64.4 Å²	64.4	50%	0.5	32%	0.316	S	S	.	.	H	α-helix	trans	-64.1	-47.6	177.1	-169.7	59.1	-151.5	0	0	111.6	D38 N39 F44 A45 V46	D38-E42 PolarHBondContact O-N 3.38Å; N39-E42 PolarHBondContact O-N 3.41Å; E42-F44 VanDerWaalsContact C-N 3.31Å; E42-F44 PolarHBondContact O-N 2.94Å; E42-A45 PolarHBondContact O-N 2.98Å; E42-A45 VanDerWaalsContact O-N 3.16Å; E42-V46 WeakPolarHBondContact O-CG2 3.5Å; E42-V46 PolarHBondContact O-N 3.47Å
43	L	98	Very high	97.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-56.9	-45.5	174.8	175.4	62.2	0	0	0	111.7	N39 A45 V46 V47 Y78 A81 F82 V85 I93 F96	N39-L43 PolarHBondContact O-N 2.71Å; L43-A45 VanDerWaalsContact C-N 3.34Å; L43-A45 PolarHBondContact O-N 3.05Å; L43-V46 PolarHBondContact O-N 3.44Å; L43-V47 HydrophobicContact CD1-CG2 4.17Å; L43-V47 WeakPolarHBondContact O-CG2 3.45Å; L43-V47 PolarHBondContact O-N 3.45Å; L43-V47 VanDerWaalsContact O-N 3.1Å; L43-Y78 HydrophobicContact CD1-CD2 3.85Å; L43-Y78 HydrophobicContact CD1-CE2 3.96Å; L43-A81 HydrophobicContact CB-CB 4.2Å; L43-A81 HydrophobicContact CD1-CB 4.21Å; L43-F82 HydrophobicContact CD1-CB 3.99Å; L43-F82 HydrophobicContact CD1-CD2 4.42Å; L43-F82 HydrophobicContact CD2-CD2 3.9Å; L43-V85 HydrophobicContact CB-CG2 3.99Å; L43-V85 HydrophobicContact CD2-CB 3.9Å; L43-V85 HydrophobicContact CD2-CG1 3.94Å; L43-V85 HydrophobicContact CD2-CG2 3.96Å; L43-I93 HydrophobicContact CD1-CD1 4.21Å; L43-I93 HydrophobicContact CD2-CD1 4.26Å; L43-I93 HydrophobicContact CG-CD1 4.46Å; L43-F96 HydrophobicContact CB-CZ 4.43Å; L43-F96 HydrophobicContact CD2-CD1 3.94Å; L43-F96 HydrophobicContact CD2-CD2 3.95Å; L43-F96 HydrophobicContact CD2-CE1 3.99Å; L43-F96 HydrophobicContact CD2-CE2 4Å; L43-F96 HydrophobicContact CD2-CG 3.92Å; L43-F96 HydrophobicContact CD2-CZ 4.03Å; L43-F96 HydrophobicContact CG-CD1 4.35Å; L43-F96 HydrophobicContact CG-CE1 4.08Å; L43-F96 HydrophobicContact CG-CZ 4.28Å
44	F	98.3	Very high	97.6	Very high	74 Å²	74	52.2 Å²	52.2	33%	0.325	27%	0.269	S	S	.	.	H	α-helix	trans	-59.5	-45.9	177.2	-174	-77.6	0	0	0	111.2	M40 A41 E42 V47 K48 F96 L102	M40-F44 WeakPolarHBondContact O-CB 3.42Å; M40-F44 PolarHBondContact O-N 3.33Å; A41-F44 PolarHBondContact O-N 3.3Å; E42-F44 VanDerWaalsContact C-N 3.31Å; E42-F44 PolarHBondContact O-N 2.94Å; F44-V47 PolarHBondContact O-N 3.25Å; F44-K48 WeakPolarHBondContact O-CB 3.27Å; F44-K48 PolarHBondContact O-N 3.2Å; F44-F96 HydrophobicContact CB-CE1 4.14Å; F44-F96 HydrophobicContact CB-CZ 4.2Å; F44-F96 HydrophobicContact CD2-CE1 4.31Å; F44-L102 HydrophobicContact CD2-CB 4.39Å; F44-L102 HydrophobicContact CD2-CD1 4.19Å; F44-L102 HydrophobicContact CD2-CD2 3.89Å; F44-L102 HydrophobicContact CD2-CG 4.4Å; F44-L102 HydrophobicContact CE1-CD1 4.13Å; F44-L102 HydrophobicContact CE2-CB 4.02Å; F44-L102 HydrophobicContact CE2-CD1 3.73Å; F44-L102 HydrophobicContact CE2-CD2 4.2Å; F44-L102 HydrophobicContact CE2-CG 4.2Å; F44-L102 HydrophobicContact CG-CD2 4.27Å; F44-L102 HydrophobicContact CZ-CD1 3.7Å
45	A	98.5	Very high	97.7	Very high	42 Å²	42	50.8 Å²	50.8	35%	0.347	27%	0.266	S	S	.	.	H	α-helix	trans	-63.4	-45.6	-179.8	0	0	0	0	0	111.8	A41 E42 L43 V47 K48 T49	A41-A45 WeakPolarHBondContact O-CB 3.34Å; A41-A45 PolarHBondContact O-N 2.63Å; E42-A45 PolarHBondContact O-N 2.98Å; E42-A45 VanDerWaalsContact O-N 3.16Å; L43-A45 VanDerWaalsContact C-N 3.34Å; L43-A45 PolarHBondContact O-N 3.05Å; A45-V47 PolarHBondContact O-N 3.21Å; A45-K48 PolarHBondContact O-N 3.18Å; A45-T49 VanDerWaalsContact O-CB 3.3Å; A45-T49 WeakPolarHBondContact O-CB 3.33Å; A45-T49 PolarHBondContact O-N 2.92Å; A45-T49 PolarHBondContact O-OG1 3.28Å
46	V	98.5	Very high	97.8	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.03	25%	0.252	C	S	.	.	H	α-helix	trans	-60.7	-47.7	178.4	172.6	0	0	0	0	111	E42 L43 K48 T49 L50 L74 Q77	E42-V46 WeakPolarHBondContact O-CG2 3.5Å; E42-V46 PolarHBondContact O-N 3.47Å; L43-V46 PolarHBondContact O-N 3.44Å; V46-K48 VanDerWaalsContact C-N 3.35Å; V46-K48 PolarHBondContact O-N 3.48Å; V46-T49 PolarHBondContact O-N 2.97Å; V46-L50 WeakPolarHBondContact O-CB 3.43Å; V46-L50 PolarHBondContact O-N 3.37Å; V46-L74 HydrophobicContact CG1-CD2 4.34Å; V46-Q77 HydrophobicContact CG1-CB 4.42Å; V46-Q77 HydrophobicContact CG2-CB 4.48Å
47	V	98.4	Very high	98	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.8	-42.5	178.6	172.7	0	0	0	0	111.1	L43 F44 A45 T49 L50 Q51 Y78 I93 L102 C104 A107 M108 I111	L43-V47 HydrophobicContact CD1-CG2 4.17Å; L43-V47 WeakPolarHBondContact O-CG2 3.45Å; L43-V47 PolarHBondContact O-N 3.45Å; L43-V47 VanDerWaalsContact O-N 3.1Å; F44-V47 PolarHBondContact O-N 3.25Å; A45-V47 PolarHBondContact O-N 3.21Å; V47-T49 VanDerWaalsContact C-N 3.32Å; V47-T49 PolarHBondContact O-N 3.4Å; V47-L50 PolarHBondContact O-N 2.67Å; V47-Q51 PolarHBondContact O-N 2.95Å; V47-Y78 HydrophobicContact CG2-CD2 4.03Å; V47-Y78 HydrophobicContact CG2-CE2 4.31Å; V47-I93 HydrophobicContact CG2-CD1 4.22Å; V47-L102 HydrophobicContact CB-CD2 3.84Å; V47-L102 HydrophobicContact CG1-CD2 3.57Å; V47-L102 HydrophobicContact CG1-CG 4.19Å; V47-C104 HydrophobicContact CG1-CB 4.01Å; V47-A107 HydrophobicContact CG1-CB 4.2Å; V47-M108 HydrophobicContact CG1-CE 3.46Å; V47-M108 VanDerWaalsContact CG1-CE 3.46Å; V47-I111 HydrophobicContact CG2-CD1 4.28Å
48	K	98.6	Very high	98.1	Very high	102 Å²	102	47.9 Å²	47.9	44%	0.443	26%	0.261	S	S	.	.	H	α-helix	trans	-66.3	-36.2	177.7	-160.4	72.4	178.9	-177.1	0	112.2	F44 A45 V46 Q51 A52 L102	F44-K48 WeakPolarHBondContact O-CB 3.27Å; F44-K48 PolarHBondContact O-N 3.2Å; A45-K48 PolarHBondContact O-N 3.18Å; V46-K48 VanDerWaalsContact C-N 3.35Å; V46-K48 PolarHBondContact O-N 3.48Å; K48-Q51 WeakPolarHBondContact O-CB 3.45Å; K48-Q51 PolarHBondContact O-N 3.09Å; K48-A52 PolarHBondContact O-N 2.9Å; K48-L102 HydrophobicContact CD-CD1 3.73Å
49	T	98.8	Very high	98.2	Very high	73 Å²	73	50 Å²	50	45%	0.448	27%	0.266	S	S	.	.	H	α-helix	trans	-67.4	-44.5	176.6	-57.7	0	0	0	0	110.8	A45 V46 V47 Q51 A52 L53 L74	A45-T49 VanDerWaalsContact O-CB 3.3Å; A45-T49 WeakPolarHBondContact O-CB 3.33Å; A45-T49 PolarHBondContact O-N 2.92Å; A45-T49 PolarHBondContact O-OG1 3.28Å; V46-T49 PolarHBondContact O-N 2.97Å; V47-T49 VanDerWaalsContact C-N 3.32Å; V47-T49 PolarHBondContact O-N 3.4Å; T49-Q51 VanDerWaalsContact C-N 3.32Å; T49-Q51 PolarHBondContact O-N 3.49Å; T49-A52 PolarHBondContact O-N 2.72Å; T49-A52 VanDerWaalsContact O-N 3.13Å; T49-L53 PolarHBondContact O-N 3.22Å; T49-L74 HydrophobicContact CG2-CD1 4.08Å; T49-L74 HydrophobicContact CG2-CD2 3.92Å
50	L	98.5	Very high	98.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-58.9	-44.1	173.9	-175.5	59.8	0	0	0	111.2	V46 V47 A52 L53 E54 L74 L75 A107 R110 I111	V46-L50 WeakPolarHBondContact O-CB 3.43Å; V46-L50 PolarHBondContact O-N 3.37Å; V47-L50 PolarHBondContact O-N 2.67Å; L50-A52 VanDerWaalsContact C-N 3.3Å; L50-A52 PolarHBondContact O-N 2.88Å; L50-L53 PolarHBondContact O-N 3.34Å; L50-E54 WeakPolarHBondContact O-CG 3.31Å; L50-E54 PolarHBondContact O-N 3.29Å; L50-L74 HydrophobicContact CB-CD1 4.46Å; L50-L74 HydrophobicContact CD1-CB 4.17Å; L50-L74 HydrophobicContact CD1-CD1 4.25Å; L50-L75 HydrophobicContact CD2-CD2 3.97Å; L50-A107 HydrophobicContact CB-CB 4.12Å; L50-A107 HydrophobicContact CD2-CB 4.06Å; L50-A107 HydrophobicContact CG-CB 4.01Å; L50-R110 HydrophobicContact CD2-CB 4.24Å; L50-I111 HydrophobicContact CD2-CD1 4.28Å; L50-I111 HydrophobicContact CD2-CG1 4.01Å
51	Q	98.5	Very high	98.2	Very high	10 Å²	10	59.2 Å²	59.2	5%	0.047	32%	0.321	C	S	.	.	H	α-helix	trans	-59.6	-40.1	175.1	-179.8	65.6	20.1	0	0	112.5	V47 K48 T49 K55 C104 L106 A107	V47-Q51 PolarHBondContact O-N 2.95Å; K48-Q51 WeakPolarHBondContact O-CB 3.45Å; K48-Q51 PolarHBondContact O-N 3.09Å; T49-Q51 VanDerWaalsContact C-N 3.32Å; T49-Q51 PolarHBondContact O-N 3.49Å; Q51-K55 WeakPolarHBondContact O-CG 3.29Å; Q51-K55 PolarHBondContact O-N 2.94Å; Q51-C104 HydrophobicContact CB-CB 3.91Å; Q51-C104 HydrophobicContact CG-CB 3.96Å; Q51-C104 PolarHBondContact OE1-O 3.15Å; Q51-L106 VanDerWaalsContact OE1-CB 3.27Å; Q51-A107 HydrophobicContact CB-CB 4.05Å
52	A	98.7	Very high	98.2	Very high	57 Å²	57	58 Å²	58	47%	0.471	31%	0.308	S	S	.	.	H	α-helix	trans	-69.1	-40.6	177.8	0	0	0	0	0	111.6	K48 T49 L50 K55 A56	K48-A52 PolarHBondContact O-N 2.9Å; T49-A52 PolarHBondContact O-N 2.72Å; T49-A52 VanDerWaalsContact O-N 3.13Å; L50-A52 VanDerWaalsContact C-N 3.3Å; L50-A52 PolarHBondContact O-N 2.88Å; A52-K55 PolarHBondContact O-N 2.86Å; A52-A56 WeakPolarHBondContact O-CB 3.45Å; A52-A56 PolarHBondContact O-N 3.34Å
53	L	98.6	Very high	98.1	Very high	24 Å²	24	54.9 Å²	54.9	13%	0.126	30%	0.298	C	S	.	.	H	α-helix	trans	-60.9	-46.5	175.4	179.4	63.3	0	0	0	111.4	T49 L50 K55 A56 Y57 Y67 C71 L74	T49-L53 PolarHBondContact O-N 3.22Å; L50-L53 PolarHBondContact O-N 3.34Å; L53-K55 VanDerWaalsContact C-N 3.31Å; L53-K55 PolarHBondContact O-N 3.3Å; L53-A56 WeakPolarHBondContact O-CB 3.39Å; L53-A56 PolarHBondContact O-N 2.97Å; L53-A56 VanDerWaalsContact O-N 3.12Å; L53-Y57 PolarHBondContact O-N 3.14Å; L53-Y67 HydrophobicContact CD1-CD2 4.14Å; L53-Y67 HydrophobicContact CD2-CD2 4.25Å; L53-Y67 HydrophobicContact CD2-CE2 4.43Å; L53-Y67 HydrophobicContact CG-CD2 3.9Å; L53-Y67 HydrophobicContact CG-CE2 4.17Å; L53-C71 HydrophobicContact CD2-CB 3.88Å; L53-L74 HydrophobicContact CB-CD1 4.4Å; L53-L74 HydrophobicContact CD2-CD1 3.71Å
54	E	98.3	Very high	98	Very high	6 Å²	6	58.4 Å²	58.4	3%	0.028	32%	0.321	C	S	.	.	H	α-helix	trans	-56.9	-45.6	175.4	-70.9	-63.3	118	0	0	111.5	L50 A56 Y57 I58 Y67 L106 R110	L50-E54 WeakPolarHBondContact O-CG 3.31Å; L50-E54 PolarHBondContact O-N 3.29Å; E54-A56 VanDerWaalsContact C-N 3.33Å; E54-A56 PolarHBondContact O-N 3.31Å; E54-Y57 PolarHBondContact O-N 3.39Å; E54-I58 VanDerWaalsContact O-CG1 3.31Å; E54-I58 WeakPolarHBondContact O-CG1 3.33Å; E54-I58 PolarHBondContact O-N 3.42Å; E54-Y67 WeakPolarHBondContact OE1-CE2 3.22Å; E54-Y67 VanDerWaalsContact OE1-CZ 3.25Å; E54-Y67 PolarHBondContact OE1-OH 3.48Å; E54-L106 HydrophobicContact CB-CB 3.65Å; E54-L106 HydrophobicContact CB-CD1 3.87Å; E54-L106 HydrophobicContact CB-CG 4.4Å; E54-L106 HydrophobicContact CG-CB 3.89Å; E54-R110 HydrophobicContact CG-CG 3.92Å; E54-R110 VanDerWaalsContact OE1-CG 3.26Å; E54-R110 WeakPolarHBondContact OE1-CG 3.49Å; E54-R110 WeakPolarHBondContact OE2-CG 3.45Å; E54-R110 IonicContact OE2-NE 3.61Å
55	K	98.4	Very high	97.6	Very high	106 Å²	106	58.9 Å²	58.9	46%	0.461	33%	0.334	S	S	.	.	H	α-helix	trans	-63.5	-38.2	176.4	-74.2	-178.5	176.9	-177.7	0	112.7	Q51 A52 L53 K59 L106	Q51-K55 WeakPolarHBondContact O-CG 3.29Å; Q51-K55 PolarHBondContact O-N 2.94Å; A52-K55 PolarHBondContact O-N 2.86Å; L53-K55 VanDerWaalsContact C-N 3.31Å; L53-K55 PolarHBondContact O-N 3.3Å; K55-K59 WeakPolarHBondContact O-CB 3.28Å; K55-K59 VanDerWaalsContact O-CG 3.24Å; K55-K59 WeakPolarHBondContact O-CG 3.11Å; K55-K59 PolarHBondContact O-N 3.47Å; K55-K59 VanDerWaalsContact O-N 3.13Å; K55-L106 HydrophobicContact CG-CD1 3.76Å
56	A	98.4	Very high	97.4	Very high	26 Å²	26	62.3 Å²	62.3	22%	0.215	34%	0.342	C	S	.	.	H	α-helix	trans	-66.7	-39.9	178.6	0	0	0	0	0	111.2	A52 L53 E54 K59 D60 C61 V62	A52-A56 WeakPolarHBondContact O-CB 3.45Å; A52-A56 PolarHBondContact O-N 3.34Å; L53-A56 WeakPolarHBondContact O-CB 3.39Å; L53-A56 PolarHBondContact O-N 2.97Å; L53-A56 VanDerWaalsContact O-N 3.12Å; E54-A56 VanDerWaalsContact C-N 3.33Å; E54-A56 PolarHBondContact O-N 3.31Å; A56-K59 CarbonylContact O-C 3.48Å; A56-K59 PolarHBondContact O-N 3.31Å; A56-D60 PolarHBondContact O-N 2.91Å; A56-C61 HydrophobicContact CB-CB 4.42Å; A56-C61 WeakPolarHBondContact O-CB 3.41Å; A56-C61 PolarHBondContact O-N 2.84Å; A56-V62 HydrophobicContact CB-CG2 3.84Å
57	Y	98.2	Very high	97.4	Very high	57 Å²	57	62.1 Å²	62.1	22%	0.224	34%	0.341	C	S	.	.	H	α-helix	trans	-66.5	-44.2	175.2	-172.7	-110.9	0	0	0	112.5	L53 E54 K59 D60 P64 Y67 I117 T118	L53-Y57 PolarHBondContact O-N 3.14Å; E54-Y57 PolarHBondContact O-N 3.39Å; Y57-K59 PolarHBondContact O-N 3.19Å; Y57-D60 PolarHBondContact O-N 3.42Å; Y57-P64 HydrophobicContact CE2-CB 4.4Å; Y57-P64 HydrophobicContact CE2-CG 4.33Å; Y57-Y67 HydrophobicContact CD1-CD1 4.27Å; Y57-Y67 HydrophobicContact CD1-CD2 4.27Å; Y57-Y67 HydrophobicContact CD1-CE1 4.27Å; Y57-Y67 HydrophobicContact CD1-CE2 4.25Å; Y57-Y67 HydrophobicContact CD1-CG 4.28Å; Y57-Y67 AromaticContact CD2-CD1 3.97Å; Y57-Y67 HydrophobicContact CD2-CD1 3.97Å; Y57-Y67 AromaticContact CD2-CD2 3.9Å; Y57-Y67 HydrophobicContact CD2-CD2 3.9Å; Y57-Y67 AromaticContact CD2-CG 3.5Å; Y57-Y67 HydrophobicContact CD2-CG 3.5Å; Y57-Y67 VanDerWaalsContact CD2-CG 3.5Å; Y57-Y67 HydrophobicContact CE1-CD1 4.31Å; Y57-Y67 HydrophobicContact CE1-CE1 4.36Å; Y57-Y67 HydrophobicContact CE2-CD1 4.01Å; Y57-Y67 AromaticContact CE2-CG 3.97Å; Y57-Y67 HydrophobicContact CE2-CG 3.97Å; Y57-Y67 HydrophobicContact CG-CD1 4.1Å; Y57-Y67 AromaticContact CG-CD2 3.63Å; Y57-Y67 HydrophobicContact CG-CD2 3.63Å; Y57-Y67 HydrophobicContact CG-CE1 4.46Å; Y57-Y67 HydrophobicContact CG-CE2 4.02Å; Y57-Y67 AromaticContact CG-CG 3.67Å; Y57-Y67 HydrophobicContact CG-CG 3.67Å; Y57-I117 HydrophobicContact CD1-CG2 3.87Å; Y57-I117 HydrophobicContact CE1-CG2 3.57Å; Y57-T118 HydrophobicContact CE1-CG2 4.28Å; Y57-T118 HydrophobicContact CE2-CG2 4.47Å; Y57-T118 VanDerWaalsContact OH-CG2 3.25Å; Y57-T118 WeakPolarHBondContact OH-CG2 3.24Å
58	I	97.9	Very high	97.2	Very high	114 Å²	114	63.7 Å²	63.7	59%	0.585	35%	0.351	S	S	*	.	H	α-helix	trans	-58.5	-33.1	174.5	-69.5	166.5	0	0	0	111.9	E54 D60 L106	E54-I58 VanDerWaalsContact O-CG1 3.31Å; E54-I58 WeakPolarHBondContact O-CG1 3.33Å; E54-I58 PolarHBondContact O-N 3.42Å; I58-D60 PolarHBondContact O-N 3.45Å; I58-L106 HydrophobicContact CD1-CD1 3.71Å; I58-L106 HydrophobicContact CD1-CD2 4.19Å
59	K	98.1	Very high	96.9	Very high	152 Å²	152	61.3 Å²	61.3	66%	0.661	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	9	177.8	-68.8	176.3	179.7	-172.2	0	113.4	K55 A56 Y57 C61	K55-K59 WeakPolarHBondContact O-CB 3.28Å; K55-K59 VanDerWaalsContact O-CG 3.24Å; K55-K59 WeakPolarHBondContact O-CG 3.11Å; K55-K59 PolarHBondContact O-N 3.47Å; K55-K59 VanDerWaalsContact O-N 3.13Å; A56-K59 CarbonylContact O-C 3.48Å; A56-K59 PolarHBondContact O-N 3.31Å; Y57-K59 PolarHBondContact O-N 3.19Å; K59-C61 VanDerWaalsContact CB-SG 3.6Å; K59-C61 PolarHBondContact O-N 3.39Å; K59-C61 VanDerWaalsContact O-N 3.15Å; K59-C61 PolarHBondContact O-SG 3.07Å
60	D	96.7	Very high	96.8	Very high	140 Å²	140	60 Å²	60	75%	0.749	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	31.9	179.4	-153.5	26.3	0	0	0	113.4	A56 Y57 I58	A56-D60 PolarHBondContact O-N 2.91Å; Y57-D60 PolarHBondContact O-N 3.42Å; I58-D60 PolarHBondContact O-N 3.45Å
61	C	97.6	Very high	96.8	Very high	93 Å²	93	60 Å²	60	63%	0.628	34%	0.344	S	S	*	.			trans	-89.9	-6.5	-179.8	-58.1	0	0	0	0	113	A56 K59	A56-C61 HydrophobicContact CB-CB 4.42Å; A56-C61 WeakPolarHBondContact O-CB 3.41Å; A56-C61 PolarHBondContact O-N 2.84Å; K59-C61 VanDerWaalsContact CB-SG 3.6Å; K59-C61 PolarHBondContact O-N 3.39Å; K59-C61 VanDerWaalsContact O-N 3.15Å; K59-C61 PolarHBondContact O-SG 3.07Å
62	V	97.2	Very high	96.5	Very high	31 Å²	31	61.7 Å²	61.7	19%	0.188	36%	0.357	C	S	.	.	S	Bend	trans	-140	135.5	-175.1	-171.6	0	0	0	0	108.2	A56 E66	A56-V62 HydrophobicContact CB-CG2 3.84Å; V62-E66 HydrophobicContact CG1-CB 3.7Å
63	S	96.9	Very high	96.4	Very high	41 Å²	41	66.6 Å²	66.6	29%	0.287	36%	0.363	S	S	.	.			trans	-67	155.7	178.5	68.5	0	0	0	0	112.1	S65 E66 Y67	S63-S65 VanDerWaalsContact C-N 3.28Å; S63-S65 PolarHBondContact O-N 3.25Å; S63-S65 PolarHBondContact OG-OG 3.37Å; S63-E66 PolarHBondContact N-OE2 2.81Å; S63-E66 PolarHBondContact O-N 2.81Å; S63-E66 WeakPolarHBondContact OG-CB 3.47Å; S63-E66 VanDerWaalsContact OG-CD 3.3Å; S63-E66 VanDerWaalsContact OG-CG 3.27Å; S63-E66 WeakPolarHBondContact OG-CG 3.49Å; S63-E66 PolarHBondContact OG-N 3.32Å; S63-E66 PolarHBondContact OG-OE2 2.93Å; S63-Y67 WeakPolarHBondContact O-CB 3.41Å; S63-Y67 PolarHBondContact O-N 3.43Å
64	P	94	Very high	96.4	Very high	73 Å²	73	66.4 Å²	66.4	47%	0.474	36%	0.362	S	S	.	.	H	α-helix	trans	-57.3	-36.4	178.7	-27.2	35.2	0	0	0	114.3	Y57 T68 T118	Y57-P64 HydrophobicContact CE2-CB 4.4Å; Y57-P64 HydrophobicContact CE2-CG 4.33Å; P64-T68 VanDerWaalsContact O-CB 3.31Å; P64-T68 WeakPolarHBondContact O-CB 3.35Å; P64-T68 PolarHBondContact O-N 3.01Å; P64-T68 PolarHBondContact O-OG1 3.29Å; P64-T118 HydrophobicContact CB-CG2 4.4Å
65	S	90.8	Very high	96.4	Very high	85 Å²	85	66.3 Å²	66.3	59%	0.594	36%	0.362	S	S	*	.	H	α-helix	trans	-69	-47.8	179.8	52.2	0	0	0	0	111.8	S63 T68 A69	S63-S65 VanDerWaalsContact C-N 3.28Å; S63-S65 PolarHBondContact O-N 3.25Å; S63-S65 PolarHBondContact OG-OG 3.37Å; S65-T68 PolarHBondContact O-N 3.18Å; S65-A69 PolarHBondContact O-N 3.4Å; S65-A69 VanDerWaalsContact O-N 3.07Å
66	E	95.1	Very high	96.3	Very high	114 Å²	114	65.7 Å²	65.7	53%	0.533	37%	0.367	S	S	.	.	H	α-helix	trans	-64.5	-42.2	178.1	-70.6	171.1	135.5	0	0	111.7	V62 S63 S70	V62-E66 HydrophobicContact CG1-CB 3.7Å; S63-E66 PolarHBondContact N-OE2 2.81Å; S63-E66 PolarHBondContact O-N 2.81Å; S63-E66 WeakPolarHBondContact OG-CB 3.47Å; S63-E66 VanDerWaalsContact OG-CD 3.3Å; S63-E66 VanDerWaalsContact OG-CG 3.27Å; S63-E66 WeakPolarHBondContact OG-CG 3.49Å; S63-E66 PolarHBondContact OG-N 3.32Å; S63-E66 PolarHBondContact OG-OE2 2.93Å; E66-S70 VanDerWaalsContact O-CB 3.24Å; E66-S70 WeakPolarHBondContact O-CB 3.41Å; E66-S70 PolarHBondContact O-N 3.48Å; E66-S70 PolarHBondContact O-OG 3.15Å
67	Y	98.1	Very high	96.2	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-58.9	-51.8	174.6	164.3	-97.9	0	0	0	110.9	L53 E54 Y57 S63 A69 S70 C71 P116 I117 T118	L53-Y67 HydrophobicContact CD1-CD2 4.14Å; L53-Y67 HydrophobicContact CD2-CD2 4.25Å; L53-Y67 HydrophobicContact CD2-CE2 4.43Å; L53-Y67 HydrophobicContact CG-CD2 3.9Å; L53-Y67 HydrophobicContact CG-CE2 4.17Å; E54-Y67 WeakPolarHBondContact OE1-CE2 3.22Å; E54-Y67 VanDerWaalsContact OE1-CZ 3.25Å; E54-Y67 PolarHBondContact OE1-OH 3.48Å; Y57-Y67 HydrophobicContact CD1-CD1 4.27Å; Y57-Y67 HydrophobicContact CD1-CD2 4.27Å; Y57-Y67 HydrophobicContact CD1-CE1 4.27Å; Y57-Y67 HydrophobicContact CD1-CE2 4.25Å; Y57-Y67 HydrophobicContact CD1-CG 4.28Å; Y57-Y67 AromaticContact CD2-CD1 3.97Å; Y57-Y67 HydrophobicContact CD2-CD1 3.97Å; Y57-Y67 AromaticContact CD2-CD2 3.9Å; Y57-Y67 HydrophobicContact CD2-CD2 3.9Å; Y57-Y67 AromaticContact CD2-CG 3.5Å; Y57-Y67 HydrophobicContact CD2-CG 3.5Å; Y57-Y67 VanDerWaalsContact CD2-CG 3.5Å; Y57-Y67 HydrophobicContact CE1-CD1 4.31Å; Y57-Y67 HydrophobicContact CE1-CE1 4.36Å; Y57-Y67 HydrophobicContact CE2-CD1 4.01Å; Y57-Y67 AromaticContact CE2-CG 3.97Å; Y57-Y67 HydrophobicContact CE2-CG 3.97Å; Y57-Y67 HydrophobicContact CG-CD1 4.1Å; Y57-Y67 AromaticContact CG-CD2 3.63Å; Y57-Y67 HydrophobicContact CG-CD2 3.63Å; Y57-Y67 HydrophobicContact CG-CE1 4.46Å; Y57-Y67 HydrophobicContact CG-CE2 4.02Å; Y57-Y67 AromaticContact CG-CG 3.67Å; Y57-Y67 HydrophobicContact CG-CG 3.67Å; S63-Y67 WeakPolarHBondContact O-CB 3.41Å; S63-Y67 PolarHBondContact O-N 3.43Å; Y67-A69 PolarHBondContact O-N 3.07Å; Y67-S70 PolarHBondContact O-N 3.36Å; Y67-C71 HydrophobicContact CD2-CB 4.48Å; Y67-C71 HydrophobicContact CE1-CB 4.46Å; Y67-C71 HydrophobicContact CE2-CB 4.07Å; Y67-C71 WeakPolarHBondContact O-CB 3.42Å; Y67-C71 PolarHBondContact O-N 2.82Å; Y67-P116 HydrophobicContact CE1-CB 3.7Å; Y67-I117 HydrophobicContact CE1-CG2 3.75Å; Y67-I117 WeakPolarHBondContact OH-CG2 3.23Å; Y67-I117 PolarHBondContact OH-N 3.48Å; Y67-I117 VanDerWaalsContact OH-N 3.09Å; Y67-T118 HydrophobicContact CD1-CG2 3.78Å; Y67-T118 HydrophobicContact CE1-CG2 3.93Å
68	T	92.8	Very high	96.2	Very high	33 Å²	33	66.8 Å²	66.8	20%	0.202	37%	0.369	C	S	.	.	H	α-helix	trans	-59.9	-47.2	-176.4	-56.6	0	0	0	0	110.8	P64 S65 S70 S72 P116 T118 I119	P64-T68 VanDerWaalsContact O-CB 3.31Å; P64-T68 WeakPolarHBondContact O-CB 3.35Å; P64-T68 PolarHBondContact O-N 3.01Å; P64-T68 PolarHBondContact O-OG1 3.29Å; S65-T68 PolarHBondContact O-N 3.18Å; T68-S70 PolarHBondContact O-N 2.7Å; T68-S72 WeakPolarHBondContact O-CB 3.36Å; T68-S72 PolarHBondContact O-N 2.8Å; T68-S72 PolarHBondContact O-OG 2.75Å; T68-P116 HydrophobicContact CG2-CB 4.36Å; T68-P116 HydrophobicContact CG2-CG 4.13Å; T68-T118 PolarHBondContact OG1-OG1 2.99Å; T68-I119 HydrophobicContact CG2-CD1 4.16Å; T68-I119 HydrophobicContact CG2-CG1 4.26Å
69	A	92.3	Very high	96.1	Very high	53 Å²	53	65.9 Å²	65.9	44%	0.438	36%	0.361	S	S	.	.	H	α-helix	trans	-63.3	-41.9	178.8	0	0	0	0	0	112.6	S65 Y67 R73	S65-A69 PolarHBondContact O-N 3.4Å; S65-A69 VanDerWaalsContact O-N 3.07Å; Y67-A69 PolarHBondContact O-N 3.07Å; A69-R73 PolarHBondContact O-N 3.23Å
70	S	97.6	Very high	95.9	Very high	45 Å²	45	61 Å²	61	32%	0.315	35%	0.349	S	S	.	.	H	α-helix	trans	-70.6	-43.4	-179.6	-58.1	0	0	0	0	112.1	E66 Y67 T68 R73 L74	E66-S70 VanDerWaalsContact O-CB 3.24Å; E66-S70 WeakPolarHBondContact O-CB 3.41Å; E66-S70 PolarHBondContact O-N 3.48Å; E66-S70 PolarHBondContact O-OG 3.15Å; Y67-S70 PolarHBondContact O-N 3.36Å; T68-S70 PolarHBondContact O-N 2.7Å; S70-R73 PolarHBondContact O-N 3.15Å; S70-L74 WeakPolarHBondContact O-CG 3.33Å; S70-L74 PolarHBondContact O-N 3.38Å
71	C	98.2	Very high	95.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-64	-46.8	179.2	-175	0	0	0	0	110.8	L53 Y67 R73 L74 L75 P116	L53-C71 HydrophobicContact CD2-CB 3.88Å; Y67-C71 HydrophobicContact CD2-CB 4.48Å; Y67-C71 HydrophobicContact CE1-CB 4.46Å; Y67-C71 HydrophobicContact CE2-CB 4.07Å; Y67-C71 WeakPolarHBondContact O-CB 3.42Å; Y67-C71 PolarHBondContact O-N 2.82Å; C71-R73 VanDerWaalsContact C-N 3.29Å; C71-R73 PolarHBondContact O-N 3.09Å; C71-L74 PolarHBondContact O-N 3.48Å; C71-L75 WeakPolarHBondContact O-CG 3.18Å; C71-L75 PolarHBondContact O-N 2.91Å; C71-P116 HydrophobicContact CB-CB 3.97Å; C71-P116 HydrophobicContact CB-CG 3.88Å
72	S	93.2	Very high	95.9	Very high	46 Å²	46	51.5 Å²	51.5	32%	0.322	29%	0.292	S	S	.	.	H	α-helix	trans	-57.6	-41.1	175.3	-66.2	0	0	0	0	112.4	T68 L75 V76 P116	T68-S72 WeakPolarHBondContact O-CB 3.36Å; T68-S72 PolarHBondContact O-N 2.8Å; T68-S72 PolarHBondContact O-OG 2.75Å; S72-L75 PolarHBondContact O-N 3.28Å; S72-V76 WeakPolarHBondContact O-CG2 3.24Å; S72-V76 PolarHBondContact O-N 3.21Å; S72-P116 WeakPolarHBondContact OG-CG 3.26Å
73	R	96	Very high	95.8	Very high	160 Å²	160	57.9 Å²	57.9	60%	0.604	32%	0.317	S	S	*	.	H	α-helix	trans	-65.3	-45.7	176.4	-169.1	-175.7	-55.2	162.9	6.1	112	A69 S70 C71 L75 V76 Q77	A69-R73 PolarHBondContact O-N 3.23Å; S70-R73 PolarHBondContact O-N 3.15Å; C71-R73 VanDerWaalsContact C-N 3.29Å; C71-R73 PolarHBondContact O-N 3.09Å; R73-L75 VanDerWaalsContact C-N 3.32Å; R73-L75 PolarHBondContact O-N 3.22Å; R73-V76 PolarHBondContact O-N 3.42Å; R73-Q77 WeakPolarHBondContact O-CG 3.41Å; R73-Q77 PolarHBondContact O-N 3.5Å
74	L	98.4	Very high	95.6	Very high	19 Å²	19	61.5 Å²	61.5	10%	0.099	33%	0.329	C	S	.	.	H	α-helix	trans	-63.4	-36.5	178.1	-76.7	167.9	0	0	0	112.1	V46 T49 L50 L53 S70 C71 Q77 Y78	V46-L74 HydrophobicContact CG1-CD2 4.34Å; T49-L74 HydrophobicContact CG2-CD1 4.08Å; T49-L74 HydrophobicContact CG2-CD2 3.92Å; L50-L74 HydrophobicContact CB-CD1 4.46Å; L50-L74 HydrophobicContact CD1-CB 4.17Å; L50-L74 HydrophobicContact CD1-CD1 4.25Å; L53-L74 HydrophobicContact CB-CD1 4.4Å; L53-L74 HydrophobicContact CD2-CD1 3.71Å; S70-L74 WeakPolarHBondContact O-CG 3.33Å; S70-L74 PolarHBondContact O-N 3.38Å; C71-L74 PolarHBondContact O-N 3.48Å; L74-Q77 PolarHBondContact O-N 2.94Å; L74-Y78 VanDerWaalsContact O-CB 3.24Å; L74-Y78 WeakPolarHBondContact O-CB 3.33Å; L74-Y78 PolarHBondContact O-N 3.36Å
75	L	97.5	Very high	95.7	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-65.6	-39.6	175.4	-72.5	169.9	0	0	0	112.1	L50 C71 S72 R73 Y78 K79 R110 I111	L50-L75 HydrophobicContact CD2-CD2 3.97Å; C71-L75 WeakPolarHBondContact O-CG 3.18Å; C71-L75 PolarHBondContact O-N 2.91Å; S72-L75 PolarHBondContact O-N 3.28Å; R73-L75 VanDerWaalsContact C-N 3.32Å; R73-L75 PolarHBondContact O-N 3.22Å; L75-Y78 PolarHBondContact O-N 3.26Å; L75-K79 WeakPolarHBondContact O-CG 3.35Å; L75-K79 PolarHBondContact O-N 3.17Å; L75-K79 VanDerWaalsContact O-N 3.09Å; L75-R110 HydrophobicContact CD2-CB 4.35Å; L75-I111 HydrophobicContact CD2-CG1 4.19Å
76	V	96.5	Very high	95.6	Very high	93 Å²	93	59.8 Å²	59.8	56%	0.564	31%	0.307	S	S	*	.	H	α-helix	trans	-64.9	-45.8	172.9	173	0	0	0	0	111.2	S72 R73 Y78 K79 A80	S72-V76 WeakPolarHBondContact O-CG2 3.24Å; S72-V76 PolarHBondContact O-N 3.21Å; R73-V76 PolarHBondContact O-N 3.42Å; V76-Y78 VanDerWaalsContact C-N 3.33Å; V76-Y78 PolarHBondContact O-N 2.94Å; V76-K79 PolarHBondContact O-N 2.89Å; V76-A80 PolarHBondContact O-N 2.98Å
77	Q	96.3	Very high	95.2	Very high	88 Å²	88	56.5 Å²	56.5	41%	0.411	30%	0.303	S	S	.	.	H	α-helix	trans	-61.7	-41.7	176.7	-72.2	171.8	-15.4	0	0	111.7	V46 R73 L74 K79 A80 A81	V46-Q77 HydrophobicContact CG1-CB 4.42Å; V46-Q77 HydrophobicContact CG2-CB 4.48Å; R73-Q77 WeakPolarHBondContact O-CG 3.41Å; R73-Q77 PolarHBondContact O-N 3.5Å; L74-Q77 PolarHBondContact O-N 2.94Å; Q77-K79 PolarHBondContact O-N 3.34Å; Q77-A80 PolarHBondContact O-N 3.14Å; Q77-A81 WeakPolarHBondContact O-CB 3.2Å; Q77-A81 PolarHBondContact O-N 3.05Å
78	Y	98.2	Very high	94	Very high	19 Å²	19	62.2 Å²	62.2	8%	0.075	34%	0.343	C	S	.	.	H	α-helix	trans	-56.4	-48.2	174.9	159.3	-100.4	0	0	0	111.2	L43 V47 L74 L75 V76 A80 A81 F82 I93 I111	L43-Y78 HydrophobicContact CD1-CD2 3.85Å; L43-Y78 HydrophobicContact CD1-CE2 3.96Å; V47-Y78 HydrophobicContact CG2-CD2 4.03Å; V47-Y78 HydrophobicContact CG2-CE2 4.31Å; L74-Y78 VanDerWaalsContact O-CB 3.24Å; L74-Y78 WeakPolarHBondContact O-CB 3.33Å; L74-Y78 PolarHBondContact O-N 3.36Å; L75-Y78 PolarHBondContact O-N 3.26Å; V76-Y78 VanDerWaalsContact C-N 3.33Å; V76-Y78 PolarHBondContact O-N 2.94Å; Y78-A80 VanDerWaalsContact C-N 3.3Å; Y78-A80 PolarHBondContact O-N 3.46Å; Y78-A81 PolarHBondContact O-N 3.49Å; Y78-F82 HydrophobicContact CD2-CB 4.49Å; Y78-F82 HydrophobicContact CE2-CB 4.02Å; Y78-F82 HydrophobicContact CE2-CG 4.42Å; Y78-F82 VanDerWaalsContact O-CB 3.28Å; Y78-F82 WeakPolarHBondContact O-CB 3.23Å; Y78-F82 PolarHBondContact O-N 3.33Å; Y78-I93 HydrophobicContact CE2-CD1 3.82Å; Y78-I93 HydrophobicContact CE2-CG1 3.89Å; Y78-I93 WeakPolarHBondContact OH-CB 3.31Å; Y78-I111 HydrophobicContact CD1-CD1 4.29Å; Y78-I111 HydrophobicContact CD1-CG1 3.88Å; Y78-I111 HydrophobicContact CD1-CG2 4.31Å; Y78-I111 HydrophobicContact CD2-CD1 3.75Å; Y78-I111 HydrophobicContact CD2-CG1 4.25Å; Y78-I111 HydrophobicContact CE1-CB 4.22Å; Y78-I111 HydrophobicContact CE1-CD1 4.19Å; Y78-I111 HydrophobicContact CE1-CG1 3.85Å; Y78-I111 HydrophobicContact CE1-CG2 3.45Å; Y78-I111 VanDerWaalsContact CE1-CG2 3.45Å; Y78-I111 HydrophobicContact CE2-CD1 3.61Å; Y78-I111 HydrophobicContact CE2-CG1 4.2Å; Y78-I111 HydrophobicContact CE2-CG2 4.36Å; Y78-I111 HydrophobicContact CG-CD1 4.09Å; Y78-I111 HydrophobicContact CG-CG1 4.09Å; Y78-I111 VanDerWaalsContact CZ-CG2 3.48Å; Y78-I111 WeakPolarHBondContact OH-CG2 3.4Å
79	K	96.1	Very high	93.3	Very high	94 Å²	94	63.9 Å²	63.9	41%	0.409	35%	0.351	S	S	.	.	H	α-helix	trans	-59.1	-42.3	178.9	-75.6	-177.8	-74.8	-151.8	0	111.9	L75 V76 Q77 K83 D114	L75-K79 WeakPolarHBondContact O-CG 3.35Å; L75-K79 PolarHBondContact O-N 3.17Å; L75-K79 VanDerWaalsContact O-N 3.09Å; V76-K79 PolarHBondContact O-N 2.89Å; Q77-K79 PolarHBondContact O-N 3.34Å; K79-K83 WeakPolarHBondContact O-CB 3.37Å; K79-K83 PolarHBondContact O-N 3.47Å; K79-K83 VanDerWaalsContact O-N 3.11Å; K79-D114 IonicContact NZ-OD1 2.6Å; K79-D114 PolarHBondContact NZ-OD1 3.28Å; K79-D114 IonicContact NZ-OD2 2.85Å; K79-D114 PolarHBondContact NZ-OD2 2.96Å
80	A	95.4	Very high	93	Very high	51 Å²	51	61.4 Å²	61.4	42%	0.421	33%	0.33	S	S	.	.	H	α-helix	trans	-66.5	-48.4	176.6	0	0	0	0	0	112.1	V76 Q77 Y78 K83 Q84	V76-A80 PolarHBondContact O-N 2.98Å; Q77-A80 PolarHBondContact O-N 3.14Å; Y78-A80 VanDerWaalsContact C-N 3.3Å; Y78-A80 PolarHBondContact O-N 3.46Å; A80-K83 PolarHBondContact O-N 3.47Å; A80-Q84 WeakPolarHBondContact O-CG 3.46Å; A80-Q84 PolarHBondContact O-N 3.37Å
81	A	96.7	Very high	92.7	Very high	6 Å²	6	61.5 Å²	61.5	5%	0.05	34%	0.338	C	S	.	.	H	α-helix	trans	-62.7	-43.5	179.4	0	0	0	0	0	111.8	L43 Q77 Y78 K83 Q84 V85	L43-A81 HydrophobicContact CB-CB 4.2Å; L43-A81 HydrophobicContact CD1-CB 4.21Å; Q77-A81 WeakPolarHBondContact O-CB 3.2Å; Q77-A81 PolarHBondContact O-N 3.05Å; Y78-A81 PolarHBondContact O-N 3.49Å; A81-K83 PolarHBondContact O-N 3.07Å; A81-Q84 PolarHBondContact O-N 3.32Å; A81-V85 WeakPolarHBondContact O-CG2 3.48Å; A81-V85 PolarHBondContact O-N 2.94Å
82	F	97	Very high	92.5	Very high	27 Å²	27	63.6 Å²	63.6	12%	0.118	35%	0.353	C	S	.	.	H	α-helix	trans	-63.6	-42	178	-176.2	-111.7	0	0	0	111.2	L43 Y78 Q84 V85 Q86 V90 I93	L43-F82 HydrophobicContact CD1-CB 3.99Å; L43-F82 HydrophobicContact CD1-CD2 4.42Å; L43-F82 HydrophobicContact CD2-CD2 3.9Å; Y78-F82 HydrophobicContact CD2-CB 4.49Å; Y78-F82 HydrophobicContact CE2-CB 4.02Å; Y78-F82 HydrophobicContact CE2-CG 4.42Å; Y78-F82 VanDerWaalsContact O-CB 3.28Å; Y78-F82 WeakPolarHBondContact O-CB 3.23Å; Y78-F82 PolarHBondContact O-N 3.33Å; F82-Q84 PolarHBondContact O-N 3.44Å; F82-V85 PolarHBondContact O-N 3.2Å; F82-V85 VanDerWaalsContact O-N 3.07Å; F82-Q86 HydrophobicContact CE1-CB 4.34Å; F82-Q86 HydrophobicContact CE1-CG 4.28Å; F82-Q86 HydrophobicContact CZ-CB 4.4Å; F82-Q86 HydrophobicContact CZ-CG 4.31Å; F82-Q86 VanDerWaalsContact O-CB 3.3Å; F82-Q86 WeakPolarHBondContact O-CB 3.25Å; F82-Q86 PolarHBondContact O-N 3.42Å; F82-V90 HydrophobicContact CE2-CG1 4.18Å; F82-I93 HydrophobicContact CD2-CB 4.37Å; F82-I93 HydrophobicContact CD2-CD1 4.2Å; F82-I93 HydrophobicContact CE2-CB 4.11Å
83	K	95.4	Very high	92.6	Very high	165 Å²	165	62.2 Å²	62.2	72%	0.717	34%	0.342	S	S	*	.	H	α-helix	trans	-60.6	-31.8	176.3	-172.2	175.2	-178.3	178.3	0	113.2	K79 A80 A81	K79-K83 WeakPolarHBondContact O-CB 3.37Å; K79-K83 PolarHBondContact O-N 3.47Å; K79-K83 VanDerWaalsContact O-N 3.11Å; A80-K83 PolarHBondContact O-N 3.47Å; A81-K83 PolarHBondContact O-N 3.07Å
84	Q	93.1	Very high	92.5	Very high	117 Å²	117	59 Å²	59	55%	0.547	34%	0.336	S	S	.	.	H	α-helix	trans	-75	-27.4	176.2	-67.1	175.6	18.6	0	0	113	N39 A80 A81 F82	N39-Q84 HydrophobicContact CB-CB 4.34Å; N39-Q84 PolarHBondContact OD1-OE1 3.47Å; A80-Q84 WeakPolarHBondContact O-CG 3.46Å; A80-Q84 PolarHBondContact O-N 3.37Å; A81-Q84 PolarHBondContact O-N 3.32Å; F82-Q84 PolarHBondContact O-N 3.44Å
85	V	94.3	Very high	92.3	Very high	16 Å²	16	61.8 Å²	61.8	10%	0.097	35%	0.349	C	S	.	.	H	α-helix	trans	-91.5	-27.5	179.6	176.5	0	0	0	0	112.2	N39 M40 L43 A81 F82 G87 V90 F96	N39-V85 HydrophobicContact CB-CG2 4Å; N39-V85 VanDerWaalsContact O-CG2 3.31Å; N39-V85 WeakPolarHBondContact O-CG2 3.47Å; M40-V85 HydrophobicContact CE-CG1 4.24Å; M40-V85 HydrophobicContact CG-CG1 3.92Å; M40-V85 HydrophobicContact CG-CG2 4.19Å; L43-V85 HydrophobicContact CB-CG2 3.99Å; L43-V85 HydrophobicContact CD2-CB 3.9Å; L43-V85 HydrophobicContact CD2-CG1 3.94Å; L43-V85 HydrophobicContact CD2-CG2 3.96Å; A81-V85 WeakPolarHBondContact O-CG2 3.48Å; A81-V85 PolarHBondContact O-N 2.94Å; F82-V85 PolarHBondContact O-N 3.2Å; F82-V85 VanDerWaalsContact O-N 3.07Å; V85-G87 PolarHBondContact O-N 3.07Å; V85-V90 HydrophobicContact CG1-CB 4.31Å; V85-V90 HydrophobicContact CG1-CG1 4.37Å; V85-V90 HydrophobicContact CG1-CG2 4.14Å; V85-F96 HydrophobicContact CG1-CD2 4.09Å; V85-F96 HydrophobicContact CG1-CE2 4.14Å
86	Q	90.3	Very high	92.3	Very high	106 Å²	106	61.7 Å²	61.7	50%	0.495	35%	0.348	S	S	.	.			trans	-60.7	128.2	-177.2	-170.4	176.9	35.4	0	0	110.6	F82	F82-Q86 HydrophobicContact CE1-CB 4.34Å; F82-Q86 HydrophobicContact CE1-CG 4.28Å; F82-Q86 HydrophobicContact CZ-CB 4.4Å; F82-Q86 HydrophobicContact CZ-CG 4.31Å; F82-Q86 VanDerWaalsContact O-CB 3.3Å; F82-Q86 WeakPolarHBondContact O-CB 3.25Å; F82-Q86 PolarHBondContact O-N 3.42Å
87	G	85.3	Confident	92.2	Very high	44 Å²	44	57.9 Å²	57.9	45%	0.454	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	177.5	-157	-176.1	0	0	0	0	0	112	V85 D89 V90	V85-G87 PolarHBondContact O-N 3.07Å; G87-D89 PolarHBondContact O-N 3.44Å; G87-V90 PolarHBondContact N-O 3.44Å; G87-V90 CarbonylContact O-C 3.5Å; G87-V90 PolarHBondContact O-N 3.18Å
88	S	73.1	Confident	92.2	Very high	121 Å²	121	62.5 Å²	62.5	85%	0.846	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.4	-177.7	56.3	0	0	0	0	114.4
89	D	77.6	Confident	92.1	Very high	67 Å²	67	66.8 Å²	66.8	36%	0.358	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-8.8	-170	-61.3	-2.5	0	0	0	113.7	K36 G87	K36-D89 IonicContact NZ-OD2 2.76Å; K36-D89 PolarHBondContact NZ-OD2 2.63Å; G87-D89 PolarHBondContact O-N 3.44Å
90	V	87.9	Confident	92	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.006	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-150.1	98	-178.4	-179.2	0	0	0	0	107.6	M40 F82 V85 G87 S92 F96	M40-V90 HydrophobicContact CE-CG2 4.28Å; F82-V90 HydrophobicContact CE2-CG1 4.18Å; V85-V90 HydrophobicContact CG1-CB 4.31Å; V85-V90 HydrophobicContact CG1-CG1 4.37Å; V85-V90 HydrophobicContact CG1-CG2 4.14Å; G87-V90 PolarHBondContact N-O 3.44Å; G87-V90 CarbonylContact O-C 3.5Å; G87-V90 PolarHBondContact O-N 3.18Å; V90-S92 WeakPolarHBondContact CG1-O 3.42Å; V90-F96 HydrophobicContact CG1-CB 3.74Å; V90-F96 HydrophobicContact CG1-CD2 4.23Å; V90-F96 HydrophobicContact CG1-CG 4.46Å; V90-F96 HydrophobicContact CG2-CD2 4.1Å
91	G	89.9	Confident	92.1	Very high	47 Å²	47	74.6 Å²	74.6	49%	0.485	38%	0.375	S	S	.	.	S	Bend	trans	-83.3	-32.5	178.5	0	0	0	0	0	113.3	E95	G91-E95 PolarHBondContact N-OE2 3.37Å
92	S	94.2	Very high	92	Very high	44 Å²	44	74.7 Å²	74.7	31%	0.308	38%	0.375	S	S	.	.	S	Bend	trans	-139.4	163	179.8	76.2	0	0	0	0	112.7	V90 D94 E95 F96	V90-S92 WeakPolarHBondContact CG1-O 3.42Å; S92-D94 VanDerWaalsContact C-N 3.28Å; S92-D94 PolarHBondContact O-N 3.22Å; S92-D94 PolarHBondContact OG-N 2.98Å; S92-E95 WeakPolarHBondContact O-CB 3.5Å; S92-E95 PolarHBondContact O-N 3.19Å; S92-E95 PolarHBondContact OG-N 2.73Å; S92-F96 PolarHBondContact O-N 2.96Å
93	I	95.1	Very high	92	Very high	17 Å²	17	79.6 Å²	79.6	9%	0.087	40%	0.402	C	S	.	.	H	α-helix	trans	-63.5	-34.4	173.9	-171.3	56.6	0	0	0	111.9	L43 V47 Y78 F82 E95 F96 C97 M108	L43-I93 HydrophobicContact CD1-CD1 4.21Å; L43-I93 HydrophobicContact CD2-CD1 4.26Å; L43-I93 HydrophobicContact CG-CD1 4.46Å; V47-I93 HydrophobicContact CG2-CD1 4.22Å; Y78-I93 HydrophobicContact CE2-CD1 3.82Å; Y78-I93 HydrophobicContact CE2-CG1 3.89Å; Y78-I93 WeakPolarHBondContact OH-CB 3.31Å; F82-I93 HydrophobicContact CD2-CB 4.37Å; F82-I93 HydrophobicContact CD2-CD1 4.2Å; F82-I93 HydrophobicContact CE2-CB 4.11Å; I93-E95 VanDerWaalsContact C-N 3.31Å; I93-E95 PolarHBondContact O-N 3.27Å; I93-F96 HydrophobicContact CD1-CB 4.32Å; I93-F96 HydrophobicContact CD1-CD1 4.29Å; I93-F96 WeakPolarHBondContact O-CB 3.25Å; I93-F96 PolarHBondContact O-N 3.31Å; I93-C97 WeakPolarHBondContact O-CB 3.37Å; I93-C97 PolarHBondContact O-N 3.13Å; I93-C97 PolarHBondContact O-SG 2.82Å; I93-C97 VanDerWaalsContact O-SG 3.35Å; I93-M108 HydrophobicContact CG1-CE 4.28Å; I93-M108 HydrophobicContact CG1-SD 4.12Å; I93-M108 HydrophobicContact CG2-SD 4.49Å
94	D	94.3	Very high	92.1	Very high	93 Å²	93	71.9 Å²	71.9	50%	0.497	37%	0.369	S	S	.	.	H	α-helix	trans	-61.9	-39.2	175.3	-61.1	-75.1	0	0	0	112.3	S92 C97 R98	S92-D94 VanDerWaalsContact C-N 3.28Å; S92-D94 PolarHBondContact O-N 3.22Å; S92-D94 PolarHBondContact OG-N 2.98Å; D94-C97 PolarHBondContact O-N 3.3Å; D94-R98 WeakPolarHBondContact O-CB 3.43Å; D94-R98 PolarHBondContact O-N 3.46Å
95	E	95.3	Very high	92.3	Very high	78 Å²	78	69.7 Å²	69.7	36%	0.364	37%	0.365	S	S	.	.	H	α-helix	trans	-65.2	-45.3	175.9	-174	-179.4	-172.8	0	0	111.1	G91 S92 I93 C97 R98 K99	G91-E95 PolarHBondContact N-OE2 3.37Å; S92-E95 WeakPolarHBondContact O-CB 3.5Å; S92-E95 PolarHBondContact O-N 3.19Å; S92-E95 PolarHBondContact OG-N 2.73Å; I93-E95 VanDerWaalsContact C-N 3.31Å; I93-E95 PolarHBondContact O-N 3.27Å; E95-C97 PolarHBondContact O-N 3.36Å; E95-R98 PolarHBondContact O-N 2.88Å; E95-K99 VanDerWaalsContact O-CB 3.3Å; E95-K99 WeakPolarHBondContact O-CB 3.49Å; E95-K99 PolarHBondContact O-N 3.14Å
96	F	96.1	Very high	92.5	Very high	2 Å²	2	71.4 Å²	71.4	1%	0.009	37%	0.373	C	S	.	.	H	α-helix	trans	-57.3	-50.4	174.5	-174.4	-94.9	0	0	0	111.2	M40 L43 F44 V85 V90 S92 I93 R98 K99 Y100 L102	M40-F96 HydrophobicContact CB-CE2 4.07Å; M40-F96 HydrophobicContact CB-CZ 4.37Å; M40-F96 HydrophobicContact CG-CE2 4.02Å; M40-F96 WeakPolarHBondContact O-CZ 3.5Å; L43-F96 HydrophobicContact CB-CZ 4.43Å; L43-F96 HydrophobicContact CD2-CD1 3.94Å; L43-F96 HydrophobicContact CD2-CD2 3.95Å; L43-F96 HydrophobicContact CD2-CE1 3.99Å; L43-F96 HydrophobicContact CD2-CE2 4Å; L43-F96 HydrophobicContact CD2-CG 3.92Å; L43-F96 HydrophobicContact CD2-CZ 4.03Å; L43-F96 HydrophobicContact CG-CD1 4.35Å; L43-F96 HydrophobicContact CG-CE1 4.08Å; L43-F96 HydrophobicContact CG-CZ 4.28Å; F44-F96 HydrophobicContact CB-CE1 4.14Å; F44-F96 HydrophobicContact CB-CZ 4.2Å; F44-F96 HydrophobicContact CD2-CE1 4.31Å; V85-F96 HydrophobicContact CG1-CD2 4.09Å; V85-F96 HydrophobicContact CG1-CE2 4.14Å; V90-F96 HydrophobicContact CG1-CB 3.74Å; V90-F96 HydrophobicContact CG1-CD2 4.23Å; V90-F96 HydrophobicContact CG1-CG 4.46Å; V90-F96 HydrophobicContact CG2-CD2 4.1Å; S92-F96 PolarHBondContact O-N 2.96Å; I93-F96 HydrophobicContact CD1-CB 4.32Å; I93-F96 HydrophobicContact CD1-CD1 4.29Å; I93-F96 WeakPolarHBondContact O-CB 3.25Å; I93-F96 PolarHBondContact O-N 3.31Å; F96-R98 VanDerWaalsContact C-N 3.32Å; F96-R98 PolarHBondContact O-N 3.42Å; F96-K99 PolarHBondContact O-N 3.19Å; F96-Y100 HydrophobicContact CD1-CD2 4.27Å; F96-Y100 AromaticContact CD2-CD2 3.67Å; F96-Y100 HydrophobicContact CD2-CD2 3.67Å; F96-Y100 AromaticContact CD2-CE2 3.62Å; F96-Y100 HydrophobicContact CD2-CE2 3.62Å; F96-Y100 HydrophobicContact CE1-CD2 4.11Å; F96-Y100 AromaticContact CE2-CD2 3.48Å; F96-Y100 HydrophobicContact CE2-CD2 3.48Å; F96-Y100 VanDerWaalsContact CE2-CD2 3.48Å; F96-Y100 AromaticContact CE2-CE2 3.37Å; F96-Y100 HydrophobicContact CE2-CE2 3.37Å; F96-Y100 HydrophobicContact CG-CD2 4.06Å; F96-Y100 HydrophobicContact CG-CE2 4.44Å; F96-Y100 AromaticContact CZ-CD2 3.71Å; F96-Y100 HydrophobicContact CZ-CD2 3.71Å; F96-Y100 HydrophobicContact CZ-CE2 4.02Å; F96-Y100 HydrophobicContact CZ-CG 4.47Å; F96-Y100 WeakPolarHBondContact O-CD2 3.36Å; F96-Y100 PolarHBondContact O-N 3.35Å; F96-L102 HydrophobicContact CE1-CD2 4.38Å
97	C	95.8	Very high	92.8	Very high	13 Å²	13	66.4 Å²	66.4	9%	0.088	35%	0.35	C	S	.	.	H	α-helix	trans	-61.3	-40.4	-179.8	-71.8	0	0	0	0	112	I93 D94 E95 R101 L102	I93-C97 WeakPolarHBondContact O-CB 3.37Å; I93-C97 PolarHBondContact O-N 3.13Å; I93-C97 PolarHBondContact O-SG 2.82Å; I93-C97 VanDerWaalsContact O-SG 3.35Å; D94-C97 PolarHBondContact O-N 3.3Å; E95-C97 PolarHBondContact O-N 3.36Å; C97-R101 CarbonylContact O-C 3.5Å; C97-R101 VanDerWaalsContact O-CA 3.3Å; C97-R101 WeakPolarHBondContact O-CA 3.14Å; C97-R101 PolarHBondContact O-N 3.32Å; C97-L102 HydrophobicContact CB-CB 4.26Å; C97-L102 PolarHBondContact O-N 3.36Å
98	R	95.5	Very high	93.4	Very high	184 Å²	184	65.9 Å²	65.9	69%	0.694	34%	0.336	S	S	*	.	H	α-helix	trans	-65	-46.9	175.7	-170.1	-175.5	-57.4	122.8	5.4	111.9	D94 E95 F96 Y100 R101	D94-R98 WeakPolarHBondContact O-CB 3.43Å; D94-R98 PolarHBondContact O-N 3.46Å; E95-R98 PolarHBondContact O-N 2.88Å; F96-R98 VanDerWaalsContact C-N 3.32Å; F96-R98 PolarHBondContact O-N 3.42Å; R98-Y100 VanDerWaalsContact C-N 3.34Å; R98-Y100 PolarHBondContact O-N 2.91Å; R98-R101 PolarHBondContact O-N 3.38Å
99	K	95.1	Very high	94.5	Very high	109 Å²	109	64.4 Å²	64.4	47%	0.474	32%	0.316	S	S	.	.	H	α-helix	trans	-60.7	-42.4	-177.9	-176.1	172.5	-176.1	170.3	0	112.1	E95 F96	E95-K99 VanDerWaalsContact O-CB 3.3Å; E95-K99 WeakPolarHBondContact O-CB 3.49Å; E95-K99 PolarHBondContact O-N 3.14Å; F96-K99 PolarHBondContact O-N 3.19Å
100	Y	95.6	Very high	95.3	Very high	80 Å²	80	61.9 Å²	61.9	31%	0.314	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	9.5	-178.1	-62.9	-74.9	0	0	0	114	M40 F96 R98 L102	M40-Y100 HydrophobicContact SD-CE2 4.48Å; M40-Y100 PolarHBondContact SD-OH 3.46Å; F96-Y100 HydrophobicContact CD1-CD2 4.27Å; F96-Y100 AromaticContact CD2-CD2 3.67Å; F96-Y100 HydrophobicContact CD2-CD2 3.67Å; F96-Y100 AromaticContact CD2-CE2 3.62Å; F96-Y100 HydrophobicContact CD2-CE2 3.62Å; F96-Y100 HydrophobicContact CE1-CD2 4.11Å; F96-Y100 AromaticContact CE2-CD2 3.48Å; F96-Y100 HydrophobicContact CE2-CD2 3.48Å; F96-Y100 VanDerWaalsContact CE2-CD2 3.48Å; F96-Y100 AromaticContact CE2-CE2 3.37Å; F96-Y100 HydrophobicContact CE2-CE2 3.37Å; F96-Y100 HydrophobicContact CG-CD2 4.06Å; F96-Y100 HydrophobicContact CG-CE2 4.44Å; F96-Y100 AromaticContact CZ-CD2 3.71Å; F96-Y100 HydrophobicContact CZ-CD2 3.71Å; F96-Y100 HydrophobicContact CZ-CE2 4.02Å; F96-Y100 HydrophobicContact CZ-CG 4.47Å; F96-Y100 WeakPolarHBondContact O-CD2 3.36Å; F96-Y100 PolarHBondContact O-N 3.35Å; R98-Y100 VanDerWaalsContact C-N 3.34Å; R98-Y100 PolarHBondContact O-N 2.91Å; Y100-L102 PolarHBondContact O-N 2.89Å
101	R	96.1	Very high	95.7	Very high	230 Å²	230	62.8 Å²	62.8	87%	0.868	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	40.2	-179.2	-57	-177	177.5	-171.3	-0.8	113.1	C97 R98 D103	C97-R101 CarbonylContact O-C 3.5Å; C97-R101 VanDerWaalsContact O-CA 3.3Å; C97-R101 WeakPolarHBondContact O-CA 3.14Å; C97-R101 PolarHBondContact O-N 3.32Å; R98-R101 PolarHBondContact O-N 3.38Å; R101-D103 PolarHBondContact O-N 3.35Å
102	L	96	Very high	95.8	Very high	8 Å²	8	68.4 Å²	68.4	4%	0.042	32%	0.317	C	S	.	.			trans	-85.5	88.7	179.1	-175.5	58.3	0	0	0	110.2	F44 V47 K48 F96 C97 Y100 C104	F44-L102 HydrophobicContact CD2-CB 4.39Å; F44-L102 HydrophobicContact CD2-CD1 4.19Å; F44-L102 HydrophobicContact CD2-CD2 3.89Å; F44-L102 HydrophobicContact CD2-CG 4.4Å; F44-L102 HydrophobicContact CE1-CD1 4.13Å; F44-L102 HydrophobicContact CE2-CB 4.02Å; F44-L102 HydrophobicContact CE2-CD1 3.73Å; F44-L102 HydrophobicContact CE2-CD2 4.2Å; F44-L102 HydrophobicContact CE2-CG 4.2Å; F44-L102 HydrophobicContact CG-CD2 4.27Å; F44-L102 HydrophobicContact CZ-CD1 3.7Å; V47-L102 HydrophobicContact CB-CD2 3.84Å; V47-L102 HydrophobicContact CG1-CD2 3.57Å; V47-L102 HydrophobicContact CG1-CG 4.19Å; K48-L102 HydrophobicContact CD-CD1 3.73Å; F96-L102 HydrophobicContact CE1-CD2 4.38Å; C97-L102 HydrophobicContact CB-CB 4.26Å; C97-L102 PolarHBondContact O-N 3.36Å; Y100-L102 PolarHBondContact O-N 2.89Å; L102-C104 WeakPolarHBondContact CD1-SG 3.32Å; L102-C104 PolarHBondContact O-N 3.47Å
103	D	96.2	Very high	95.5	Very high	130 Å²	130	69.5 Å²	69.5	70%	0.695	32%	0.317	S	S	*	.			trans	-83	98.2	177	-173.8	20	0	0	0	111.1	R101 P105	R101-D103 PolarHBondContact O-N 3.35Å; D103-P105 WeakPolarHBondContact OD1-CD 3.37Å
104	C	97.6	Very high	95.4	Very high	2 Å²	2	72.5 Å²	72.5	1%	0.014	33%	0.333	C	S	.	.			trans	-138.8	64.7	-175.3	-67.5	0	0	0	0	111.9	V47 Q51 L102 L106 A107 M108	V47-C104 HydrophobicContact CG1-CB 4.01Å; Q51-C104 HydrophobicContact CB-CB 3.91Å; Q51-C104 HydrophobicContact CG-CB 3.96Å; Q51-C104 PolarHBondContact OE1-O 3.15Å; L102-C104 WeakPolarHBondContact CD1-SG 3.32Å; L102-C104 PolarHBondContact O-N 3.47Å; C104-L106 VanDerWaalsContact C-N 3.3Å; C104-L106 PolarHBondContact O-N 3.47Å; C104-A107 HydrophobicContact CB-CB 4.01Å; C104-A107 PolarHBondContact O-N 2.84Å; C104-M108 WeakPolarHBondContact O-CG 3.4Å; C104-M108 PolarHBondContact O-N 2.92Å
105	P	97.6	Very high	95.2	Very high	72 Å²	72	70.3 Å²	70.3	47%	0.468	32%	0.318	S	S	.	.	H	α-helix	trans	-62.8	-32.1	-171.4	24	-34.4	0	0	0	113.8	D103 M108 E109	D103-P105 WeakPolarHBondContact OD1-CD 3.37Å; P105-M108 PolarHBondContact O-N 3.19Å; P105-E109 PolarHBondContact O-N 3.37Å; P105-E109 VanDerWaalsContact O-N 3.16Å
106	L	97.4	Very high	95.1	Very high	52 Å²	52	66.7 Å²	66.7	27%	0.272	30%	0.301	S	S	.	.	H	α-helix	trans	-72.6	-43.1	179.7	-51.8	172.5	0	0	0	110.9	Q51 E54 K55 I58 C104 M108 E109 R110	Q51-L106 VanDerWaalsContact OE1-CB 3.27Å; E54-L106 HydrophobicContact CB-CB 3.65Å; E54-L106 HydrophobicContact CB-CD1 3.87Å; E54-L106 HydrophobicContact CB-CG 4.4Å; E54-L106 HydrophobicContact CG-CB 3.89Å; K55-L106 HydrophobicContact CG-CD1 3.76Å; I58-L106 HydrophobicContact CD1-CD1 3.71Å; I58-L106 HydrophobicContact CD1-CD2 4.19Å; C104-L106 VanDerWaalsContact C-N 3.3Å; C104-L106 PolarHBondContact O-N 3.47Å; L106-M108 VanDerWaalsContact C-N 3.28Å; L106-M108 PolarHBondContact O-N 2.95Å; L106-E109 PolarHBondContact O-N 2.84Å; L106-R110 PolarHBondContact O-N 2.9Å; L106-R110 VanDerWaalsContact O-N 3.15Å
107	A	97.9	Very high	94.8	Very high	0 Å²	0	71 Å²	71	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-60.7	-40.1	173.8	0	0	0	0	0	111.4	V47 L50 Q51 C104 R110 I111	V47-A107 HydrophobicContact CG1-CB 4.2Å; L50-A107 HydrophobicContact CB-CB 4.12Å; L50-A107 HydrophobicContact CD2-CB 4.06Å; L50-A107 HydrophobicContact CG-CB 4.01Å; Q51-A107 HydrophobicContact CB-CB 4.05Å; C104-A107 HydrophobicContact CB-CB 4.01Å; C104-A107 PolarHBondContact O-N 2.84Å; A107-R110 PolarHBondContact O-N 3.49Å; A107-I111 WeakPolarHBondContact O-CB 3.3Å; A107-I111 VanDerWaalsContact O-CG1 3.3Å; A107-I111 WeakPolarHBondContact O-CG1 3.41Å; A107-I111 PolarHBondContact O-N 3.26Å
108	M	97.7	Very high	94.4	Very high	34 Å²	34	72.6 Å²	72.6	17%	0.167	33%	0.333	C	S	.	.	H	α-helix	trans	-63.3	-41.7	178.7	-66.5	-52.1	98.5	0	0	111.9	V47 I93 C104 P105 L106 I111 K112	V47-M108 HydrophobicContact CG1-CE 3.46Å; V47-M108 VanDerWaalsContact CG1-CE 3.46Å; I93-M108 HydrophobicContact CG1-CE 4.28Å; I93-M108 HydrophobicContact CG1-SD 4.12Å; I93-M108 HydrophobicContact CG2-SD 4.49Å; C104-M108 WeakPolarHBondContact O-CG 3.4Å; C104-M108 PolarHBondContact O-N 2.92Å; P105-M108 PolarHBondContact O-N 3.19Å; L106-M108 VanDerWaalsContact C-N 3.28Å; L106-M108 PolarHBondContact O-N 2.95Å; M108-I111 HydrophobicContact CE-CD1 3.65Å; M108-I111 PolarHBondContact O-N 2.9Å; M108-K112 VanDerWaalsContact O-CB 3.29Å; M108-K112 WeakPolarHBondContact O-CB 3.31Å; M108-K112 PolarHBondContact O-N 2.95Å
109	E	95.3	Very high	93.8	Very high	90 Å²	90	67.6 Å²	67.6	42%	0.421	32%	0.319	S	S	.	.	H	α-helix	trans	-62.3	-42.9	174.9	-72.8	-60.4	134.6	0	0	112.1	P105 L106 K112 E113	P105-E109 PolarHBondContact O-N 3.37Å; P105-E109 VanDerWaalsContact O-N 3.16Å; L106-E109 PolarHBondContact O-N 2.84Å; E109-K112 PolarHBondContact O-N 3.14Å; E109-E113 PolarHBondContact O-N 3.03Å
110	R	95.8	Very high	92.6	Very high	13 Å²	13	71 Å²	71	5%	0.049	33%	0.334	C	S	.	.	H	α-helix	trans	-65.1	-39.9	176.1	-64.6	-56	89.3	-147.1	2.7	112.8	L50 E54 L75 L106 A107 K112 E113 D114 R115	L50-R110 HydrophobicContact CD2-CB 4.24Å; E54-R110 HydrophobicContact CG-CG 3.92Å; E54-R110 VanDerWaalsContact OE1-CG 3.26Å; E54-R110 WeakPolarHBondContact OE1-CG 3.49Å; E54-R110 WeakPolarHBondContact OE2-CG 3.45Å; E54-R110 IonicContact OE2-NE 3.61Å; L75-R110 HydrophobicContact CD2-CB 4.35Å; L106-R110 PolarHBondContact O-N 2.9Å; L106-R110 VanDerWaalsContact O-N 3.15Å; A107-R110 PolarHBondContact O-N 3.49Å; R110-K112 VanDerWaalsContact C-N 3.34Å; R110-E113 IonicContact CZ-OE1 2.98Å; R110-E113 IonicContact CZ-OE2 3.95Å; R110-E113 IonicContact NH1-OE1 2.86Å; R110-E113 IonicContact NH1-OE2 2.93Å; R110-E113 PolarHBondContact NH1-OE2 3.25Å; R110-E113 IonicContact NH2-OE1 3.71Å; R110-E113 PolarHBondContact NH2-OE1 3.31Å; R110-E113 IonicContact NH2-OE2 3.28Å; R110-E113 PolarHBondContact NH2-OE2 3.31Å; R110-E113 VanDerWaalsContact NH2-OE2 3.09Å; R110-E113 PolarHBondContact O-N 3.23Å; R110-D114 WeakPolarHBondContact O-CA 3.33Å; R110-D114 PolarHBondContact O-N 3.21Å; R110-R115 PolarHBondContact NH1-O 2.96Å
111	I	95.8	Very high	91	Very high	21 Å²	21	70.4 Å²	70.4	11%	0.108	34%	0.336	C	S	.	.	H	α-helix	trans	-63.6	-42.1	175.8	-76.6	164.5	0	0	0	110.7	V47 L50 L75 Y78 A107 M108 D114	V47-I111 HydrophobicContact CG2-CD1 4.28Å; L50-I111 HydrophobicContact CD2-CD1 4.28Å; L50-I111 HydrophobicContact CD2-CG1 4.01Å; L75-I111 HydrophobicContact CD2-CG1 4.19Å; Y78-I111 HydrophobicContact CD1-CD1 4.29Å; Y78-I111 HydrophobicContact CD1-CG1 3.88Å; Y78-I111 HydrophobicContact CD1-CG2 4.31Å; Y78-I111 HydrophobicContact CD2-CD1 3.75Å; Y78-I111 HydrophobicContact CD2-CG1 4.25Å; Y78-I111 HydrophobicContact CE1-CB 4.22Å; Y78-I111 HydrophobicContact CE1-CD1 4.19Å; Y78-I111 HydrophobicContact CE1-CG1 3.85Å; Y78-I111 HydrophobicContact CE1-CG2 3.45Å; Y78-I111 VanDerWaalsContact CE1-CG2 3.45Å; Y78-I111 HydrophobicContact CE2-CD1 3.61Å; Y78-I111 HydrophobicContact CE2-CG1 4.2Å; Y78-I111 HydrophobicContact CE2-CG2 4.36Å; Y78-I111 HydrophobicContact CG-CD1 4.09Å; Y78-I111 HydrophobicContact CG-CG1 4.09Å; Y78-I111 VanDerWaalsContact CZ-CG2 3.48Å; Y78-I111 WeakPolarHBondContact OH-CG2 3.4Å; A107-I111 WeakPolarHBondContact O-CB 3.3Å; A107-I111 VanDerWaalsContact O-CG1 3.3Å; A107-I111 WeakPolarHBondContact O-CG1 3.41Å; A107-I111 PolarHBondContact O-N 3.26Å; M108-I111 HydrophobicContact CE-CD1 3.65Å; M108-I111 PolarHBondContact O-N 2.9Å; I111-D114 PolarHBondContact O-N 2.91Å
112	K	91.7	Very high	89.4	Confident	164 Å²	164	63.9 Å²	63.9	71%	0.713	32%	0.319	S	S	*	.	H	α-helix	trans	-65.5	-38.9	178.5	-178.9	-178	175	-170.9	0	112.3	M108 E109 R110	M108-K112 VanDerWaalsContact O-CB 3.29Å; M108-K112 WeakPolarHBondContact O-CB 3.31Å; M108-K112 PolarHBondContact O-N 2.95Å; E109-K112 PolarHBondContact O-N 3.14Å; R110-K112 VanDerWaalsContact C-N 3.34Å
113	E	88.7	Confident	87.8	Confident	68 Å²	68	69.6 Å²	69.6	32%	0.318	34%	0.343	S	S	.	.	H	α-helix	trans	-82	-16.4	176.3	-68.7	-174.8	-158.5	0	0	113.8	E109 R110 R115	E109-E113 PolarHBondContact O-N 3.03Å; R110-E113 IonicContact CZ-OE1 2.98Å; R110-E113 IonicContact CZ-OE2 3.95Å; R110-E113 IonicContact NH1-OE1 2.86Å; R110-E113 IonicContact NH1-OE2 2.93Å; R110-E113 PolarHBondContact NH1-OE2 3.25Å; R110-E113 IonicContact NH2-OE1 3.71Å; R110-E113 PolarHBondContact NH2-OE1 3.31Å; R110-E113 IonicContact NH2-OE2 3.28Å; R110-E113 PolarHBondContact NH2-OE2 3.31Å; R110-E113 VanDerWaalsContact NH2-OE2 3.09Å; R110-E113 PolarHBondContact O-N 3.23Å; E113-R115 HydrophobicContact CB-CG 3.99Å; E113-R115 PolarHBondContact O-N 3.49Å; E113-R115 IonicContact OE2-CZ 3.41Å; E113-R115 IonicContact OE2-NE 3.72Å; E113-R115 PolarHBondContact OE2-NE 3.08Å; E113-R115 IonicContact OE2-NH2 3.63Å
114	D	92.6	Very high	86.1	Confident	80 Å²	80	66 Å²	66	43%	0.428	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	34.5	-172.6	-163.3	35	0	0	0	113.7	K79 R110 I111	K79-D114 IonicContact NZ-OD1 2.6Å; K79-D114 PolarHBondContact NZ-OD1 3.28Å; K79-D114 IonicContact NZ-OD2 2.85Å; K79-D114 PolarHBondContact NZ-OD2 2.96Å; R110-D114 WeakPolarHBondContact O-CA 3.33Å; R110-D114 PolarHBondContact O-N 3.21Å; I111-D114 PolarHBondContact O-N 2.91Å
115	R	89.4	Confident	84.9	Confident	47 Å²	47	69.9 Å²	69.9	18%	0.177	36%	0.358	C	S	.	.	S	Bend	trans	-155.2	152.7	178.1	66	-170.3	170.4	-134.9	-0.2	113.2	R110 E113 D121	R110-R115 PolarHBondContact NH1-O 2.96Å; E113-R115 HydrophobicContact CB-CG 3.99Å; E113-R115 PolarHBondContact O-N 3.49Å; E113-R115 IonicContact OE2-CZ 3.41Å; E113-R115 IonicContact OE2-NE 3.72Å; E113-R115 PolarHBondContact OE2-NE 3.08Å; E113-R115 IonicContact OE2-NH2 3.63Å; R115-D121 VanDerWaalsContact CZ-CG 3.46Å; R115-D121 IonicContact CZ-OD1 3.9Å; R115-D121 IonicContact CZ-OD2 3.17Å; R115-D121 IonicContact NH1-OD1 3.8Å; R115-D121 PolarHBondContact NH1-OD1 3.03Å; R115-D121 IonicContact NH1-OD2 2.69Å; R115-D121 PolarHBondContact NH1-OD2 3.48Å; R115-D121 VanDerWaalsContact NH2-CB 3.29Å; R115-D121 IonicContact NH2-OD1 3.33Å; R115-D121 IonicContact NH2-OD2 3.2Å; R115-D121 PolarHBondContact NH2-OD2 2.86Å
116	P	93.2	Very high	84	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.013	35%	0.346	C	S	.	.			trans	-60.7	151.3	169.7	-19.9	32.5	0	0	0	112.3	Y67 T68 C71 S72 T118 I119	Y67-P116 HydrophobicContact CE1-CB 3.7Å; T68-P116 HydrophobicContact CG2-CB 4.36Å; T68-P116 HydrophobicContact CG2-CG 4.13Å; C71-P116 HydrophobicContact CB-CB 3.97Å; C71-P116 HydrophobicContact CB-CG 3.88Å; S72-P116 WeakPolarHBondContact OG-CG 3.26Å; P116-T118 PolarHBondContact O-N 3.03Å; P116-T118 VanDerWaalsContact O-N 3.14Å; P116-I119 HydrophobicContact CG-CD1 4.26Å; P116-I119 HydrophobicContact CG-CG1 4.49Å; P116-I119 PolarHBondContact O-N 3.48Å
117	I	89.3	Confident	83.4	Confident	91 Å²	91	71.1 Å²	71.1	47%	0.467	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.3	-178.9	-160.3	173.5	0	0	0	113.5	Y57 Y67 I119	Y57-I117 HydrophobicContact CD1-CG2 3.87Å; Y57-I117 HydrophobicContact CE1-CG2 3.57Å; Y67-I117 HydrophobicContact CE1-CG2 3.75Å; Y67-I117 WeakPolarHBondContact OH-CG2 3.23Å; Y67-I117 PolarHBondContact OH-N 3.48Å; Y67-I117 VanDerWaalsContact OH-N 3.09Å; I117-I119 VanDerWaalsContact C-N 3.29Å
118	T	87.4	Confident	82.8	Confident	48 Å²	48	79.3 Å²	79.3	29%	0.294	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-20.8	176.8	46.4	0	0	0	0	113	Y57 P64 Y67 T68 P116	Y57-T118 HydrophobicContact CE1-CG2 4.28Å; Y57-T118 HydrophobicContact CE2-CG2 4.47Å; Y57-T118 VanDerWaalsContact OH-CG2 3.25Å; Y57-T118 WeakPolarHBondContact OH-CG2 3.24Å; P64-T118 HydrophobicContact CB-CG2 4.4Å; Y67-T118 HydrophobicContact CD1-CG2 3.78Å; Y67-T118 HydrophobicContact CE1-CG2 3.93Å; T68-T118 PolarHBondContact OG1-OG1 2.99Å; P116-T118 PolarHBondContact O-N 3.03Å; P116-T118 VanDerWaalsContact O-N 3.14Å
119	I	82.9	Confident	82.4	Confident	79 Å²	79	77.9 Å²	77.9	41%	0.405	39%	0.385	S	S	.	.	S	Bend	trans	-94.2	110.6	178.7	-56.1	-170.8	0	0	0	108.1	T68 P116 I117	T68-I119 HydrophobicContact CG2-CD1 4.16Å; T68-I119 HydrophobicContact CG2-CG1 4.26Å; P116-I119 HydrophobicContact CG-CD1 4.26Å; P116-I119 HydrophobicContact CG-CG1 4.49Å; P116-I119 PolarHBondContact O-N 3.48Å; I117-I119 VanDerWaalsContact C-N 3.29Å
120	K	71.1	Confident	82.3	Confident	179 Å²	179	75.4 Å²	75.4	78%	0.778	37%	0.374	S	S	*	.			trans	-69.7	153.2	176.7	-69	-177.3	179.7	179.2	0	110.8	D122	K120-D122 PolarHBondContact O-N 2.83Å
121	D	62.5	Low	82.1	Confident	69 Å²	69	77.4 Å²	77.4	37%	0.369	39%	0.394	S	S	.	.			trans	-69.3	112.8	174.2	-153	-7.9	0	0	0	110.6	R115 K123	R115-D121 VanDerWaalsContact CZ-CG 3.46Å; R115-D121 IonicContact CZ-OD1 3.9Å; R115-D121 IonicContact CZ-OD2 3.17Å; R115-D121 IonicContact NH1-OD1 3.8Å; R115-D121 PolarHBondContact NH1-OD1 3.03Å; R115-D121 IonicContact NH1-OD2 2.69Å; R115-D121 PolarHBondContact NH1-OD2 3.48Å; R115-D121 VanDerWaalsContact NH2-CB 3.29Å; R115-D121 IonicContact NH2-OD1 3.33Å; R115-D121 IonicContact NH2-OD2 3.2Å; R115-D121 PolarHBondContact NH2-OD2 2.86Å; D121-K123 PolarHBondContact O-N 3.23Å; D121-K123 WeakPolarHBondContact OD1-CB 3.41Å; D121-K123 WeakPolarHBondContact OD1-CD 3.43Å; D121-K123 WeakPolarHBondContact OD1-CG 3.32Å; D121-K123 PolarHBondContact OD1-N 2.94Å
122	D	61.2	Low	82.1	Confident	93 Å²	93	79.1 Å²	79.1	50%	0.497	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-3.7	171	-77.2	-25	0	0	0	112.1	K120 G124 N125 L126	K120-D122 PolarHBondContact O-N 2.83Å; D122-G124 VanDerWaalsContact C-N 3.27Å; D122-G124 PolarHBondContact O-N 3.31Å; D122-N125 CarbonylContact O-C 3.57Å; D122-N125 WeakPolarHBondContact O-CA 3.31Å; D122-N125 WeakPolarHBondContact O-CB 3.41Å; D122-N125 PolarHBondContact O-N 2.81Å; D122-L126 WeakPolarHBondContact O-CB 3.35Å; D122-L126 PolarHBondContact O-N 3.47Å
123	K	61.8	Low	82.3	Confident	127 Å²	127	71.3 Å²	71.3	55%	0.552	37%	0.369	S	S	*	.	H	α-helix	trans	-56.7	-34.8	-179.1	-76.5	176	-168.5	178.4	0	114.4	D121 L126 N127	D121-K123 PolarHBondContact O-N 3.23Å; D121-K123 WeakPolarHBondContact OD1-CB 3.41Å; D121-K123 WeakPolarHBondContact OD1-CD 3.43Å; D121-K123 WeakPolarHBondContact OD1-CG 3.32Å; D121-K123 PolarHBondContact OD1-N 2.94Å; K123-L126 WeakPolarHBondContact O-CB 3.5Å; K123-L126 PolarHBondContact O-N 2.88Å; K123-N127 PolarHBondContact O-N 3.34Å
124	G	62.3	Low	82.6	Confident	56 Å²	56	69.6 Å²	69.6	58%	0.577	36%	0.363	S	S	*	.	H	α-helix	trans	-67	-38.8	174.5	0	0	0	0	0	112.3	D122 R128	D122-G124 VanDerWaalsContact C-N 3.27Å; D122-G124 PolarHBondContact O-N 3.31Å; G124-R128 PolarHBondContact O-N 3.34Å
125	N	71.7	Confident	82.8	Confident	83 Å²	83	68.9 Å²	68.9	44%	0.444	36%	0.364	S	S	.	.	H	α-helix	trans	-70.8	-35.2	173.6	-164.7	9.6	0	0	0	111.3	D122 R128 C129	D122-N125 CarbonylContact O-C 3.57Å; D122-N125 WeakPolarHBondContact O-CA 3.31Å; D122-N125 WeakPolarHBondContact O-CB 3.41Å; D122-N125 PolarHBondContact O-N 2.81Å; N125-R128 PolarHBondContact O-N 3.46Å; N125-C129 WeakPolarHBondContact O-CB 3.32Å; N125-C129 PolarHBondContact O-N 3.48Å; N125-C129 PolarHBondContact O-SG 3.29Å
126	L	78.9	Confident	83.3	Confident	40 Å²	40	67.3 Å²	67.3	21%	0.209	36%	0.359	C	S	.	.	H	α-helix	trans	-64.2	-52.6	178.4	-174.3	69.3	0	0	0	111.6	D122 K123 R128 C129 I130 M168 N170	D122-L126 WeakPolarHBondContact O-CB 3.35Å; D122-L126 PolarHBondContact O-N 3.47Å; K123-L126 WeakPolarHBondContact O-CB 3.5Å; K123-L126 PolarHBondContact O-N 2.88Å; L126-R128 PolarHBondContact O-N 3.46Å; L126-C129 PolarHBondContact O-N 2.89Å; L126-C129 VanDerWaalsContact O-N 3.14Å; L126-I130 HydrophobicContact CD1-CD1 4.46Å; L126-I130 HydrophobicContact CG-CD1 3.96Å; L126-I130 VanDerWaalsContact O-CG1 3.27Å; L126-I130 WeakPolarHBondContact O-CG1 3.36Å; L126-I130 PolarHBondContact O-N 2.54Å; L126-M168 HydrophobicContact CD1-CE 3.34Å; L126-M168 HydrophobicContact CD1-CG 3.93Å; L126-M168 HydrophobicContact CD1-SD 4.43Å; L126-M168 HydrophobicContact CG-CE 4.31Å; L126-N170 WeakPolarHBondContact CD1-OD1 3.38Å
127	N	84.6	Confident	83.5	Confident	110 Å²	110	67.2 Å²	67.2	59%	0.588	36%	0.359	S	S	*	.	H	α-helix	trans	-60.6	-38.1	179.5	-71.4	-12.7	0	0	0	111.5	K123 A131	K123-N127 PolarHBondContact O-N 3.34Å; N127-A131 PolarHBondContact O-N 2.95Å
128	R	86.1	Confident	83.9	Confident	172 Å²	172	66.5 Å²	66.5	65%	0.649	36%	0.355	S	S	*	.	H	α-helix	trans	-64.4	-49.5	173.2	-176.6	177	178.5	160.4	0.6	111.6	G124 N125 L126 I130 A131 D132	G124-R128 PolarHBondContact O-N 3.34Å; N125-R128 PolarHBondContact O-N 3.46Å; L126-R128 PolarHBondContact O-N 3.46Å; R128-I130 VanDerWaalsContact C-N 3.3Å; R128-I130 PolarHBondContact O-N 3.1Å; R128-A131 PolarHBondContact O-N 3.12Å; R128-D132 IonicContact NE-OD2 3.75Å; R128-D132 VanDerWaalsContact O-CG 3.25Å; R128-D132 PolarHBondContact O-N 3.39Å
129	C	89.4	Confident	84.4	Confident	3 Å²	3	66.8 Å²	66.8	2%	0.02	36%	0.357	C	S	.	.	H	α-helix	trans	-58.7	-40.8	176.8	-72.9	0	0	0	0	111.9	N125 L126 D132 I133 T164	N125-C129 WeakPolarHBondContact O-CB 3.32Å; N125-C129 PolarHBondContact O-N 3.48Å; N125-C129 PolarHBondContact O-SG 3.29Å; L126-C129 PolarHBondContact O-N 2.89Å; L126-C129 VanDerWaalsContact O-N 3.14Å; C129-D132 PolarHBondContact O-N 3.23Å; C129-I133 WeakPolarHBondContact O-CB 3.49Å; C129-I133 WeakPolarHBondContact O-CD1 3.35Å; C129-I133 WeakPolarHBondContact O-CG1 3.5Å; C129-I133 PolarHBondContact O-N 2.91Å; C129-T164 HydrophobicContact CB-CG2 4.38Å
130	I	91.4	Very high	85.1	Confident	38 Å²	38	63 Å²	63	20%	0.195	34%	0.337	C	S	.	.	H	α-helix	trans	-61.3	-48.8	176.3	-68.4	166.4	0	0	0	110.4	L126 R128 D132 I133 V134 M168 F216 L220	L126-I130 HydrophobicContact CD1-CD1 4.46Å; L126-I130 HydrophobicContact CG-CD1 3.96Å; L126-I130 VanDerWaalsContact O-CG1 3.27Å; L126-I130 WeakPolarHBondContact O-CG1 3.36Å; L126-I130 PolarHBondContact O-N 2.54Å; R128-I130 VanDerWaalsContact C-N 3.3Å; R128-I130 PolarHBondContact O-N 3.1Å; I130-D132 VanDerWaalsContact C-N 3.34Å; I130-D132 PolarHBondContact O-N 3.44Å; I130-I133 PolarHBondContact O-N 2.85Å; I130-V134 HydrophobicContact CG2-CG2 4.35Å; I130-V134 VanDerWaalsContact O-CG2 3.27Å; I130-V134 WeakPolarHBondContact O-CG2 3.46Å; I130-V134 PolarHBondContact O-N 2.93Å; I130-M168 HydrophobicContact CD1-CE 3.98Å; I130-M168 HydrophobicContact CG1-CE 3.55Å; I130-F216 HydrophobicContact CG1-CZ 4.4Å; I130-L220 HydrophobicContact CD1-CD2 3.74Å; I130-L220 HydrophobicContact CG1-CD2 3.91Å; I130-L220 HydrophobicContact CG2-CD1 3.86Å
131	A	93.3	Very high	86.4	Confident	56 Å²	56	55.1 Å²	55.1	46%	0.463	30%	0.304	S	S	.	.	H	α-helix	trans	-60.3	-44.8	178.8	0	0	0	0	0	111.7	N127 R128 V134 S135	N127-A131 PolarHBondContact O-N 2.95Å; R128-A131 PolarHBondContact O-N 3.12Å; A131-V134 PolarHBondContact O-N 3.09Å; A131-S135 VanDerWaalsContact O-CB 3.32Å; A131-S135 WeakPolarHBondContact O-CB 3.27Å; A131-S135 PolarHBondContact O-N 2.94Å
132	D	94.5	Very high	88.1	Confident	56 Å²	56	55 Å²	55	30%	0.299	30%	0.303	S	S	.	.	H	α-helix	trans	-63.4	-44.9	178.2	-66.1	-18.1	0	0	0	111.1	R128 C129 I130 S135 L136 T164	R128-D132 IonicContact NE-OD2 3.75Å; R128-D132 VanDerWaalsContact O-CG 3.25Å; R128-D132 PolarHBondContact O-N 3.39Å; C129-D132 PolarHBondContact O-N 3.23Å; I130-D132 VanDerWaalsContact C-N 3.34Å; I130-D132 PolarHBondContact O-N 3.44Å; D132-S135 PolarHBondContact O-N 3.19Å; D132-L136 WeakPolarHBondContact O-CB 3.45Å; D132-L136 WeakPolarHBondContact O-CD1 3.33Å; D132-L136 VanDerWaalsContact O-CG 3.28Å; D132-L136 WeakPolarHBondContact O-CG 3.38Å; D132-L136 PolarHBondContact O-N 3.09Å; D132-T164 HydrophobicContact CB-CG2 3.89Å
133	I	95.4	Very high	89.8	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.9	-48.9	177.1	-70.9	163.3	0	0	0	111.2	C129 I130 S135 L136 F137 L161 T164 M165 M168 F216	C129-I133 WeakPolarHBondContact O-CB 3.49Å; C129-I133 WeakPolarHBondContact O-CD1 3.35Å; C129-I133 WeakPolarHBondContact O-CG1 3.5Å; C129-I133 PolarHBondContact O-N 2.91Å; I130-I133 PolarHBondContact O-N 2.85Å; I133-S135 VanDerWaalsContact C-N 3.32Å; I133-S135 PolarHBondContact O-N 2.76Å; I133-L136 PolarHBondContact O-N 3.4Å; I133-F137 HydrophobicContact CG2-CD2 3.69Å; I133-F137 HydrophobicContact CG2-CE2 3.66Å; I133-F137 WeakPolarHBondContact O-CD2 3.47Å; I133-F137 PolarHBondContact O-N 2.95Å; I133-L161 HydrophobicContact CB-CD1 4.37Å; I133-L161 HydrophobicContact CG2-CD1 3.92Å; I133-T164 HydrophobicContact CD1-CG2 4.22Å; I133-T164 HydrophobicContact CG1-CG2 3.62Å; I133-M165 HydrophobicContact CD1-CB 4.49Å; I133-M165 HydrophobicContact CD1-CG 3.91Å; I133-M165 HydrophobicContact CG1-CG 3.94Å; I133-M165 HydrophobicContact CG2-CG 4.24Å; I133-M168 HydrophobicContact CD1-SD 3.93Å; I133-F216 HydrophobicContact CB-CE1 4.19Å; I133-F216 HydrophobicContact CB-CZ 4.04Å; I133-F216 HydrophobicContact CD1-CE2 3.94Å; I133-F216 HydrophobicContact CD1-CZ 3.81Å; I133-F216 HydrophobicContact CG2-CD1 3.93Å; I133-F216 HydrophobicContact CG2-CD2 4.39Å; I133-F216 HydrophobicContact CG2-CE1 3.55Å; I133-F216 HydrophobicContact CG2-CE2 4.06Å; I133-F216 HydrophobicContact CG2-CG 4.32Å; I133-F216 HydrophobicContact CG2-CZ 3.63Å
134	V	96.3	Very high	91.6	Very high	33 Å²	33	47 Å²	47	20%	0.2	26%	0.264	C	S	.	.	H	α-helix	trans	-61.3	-44.6	179.1	171.8	0	0	0	0	110.3	I130 A131 F137 I138 Y213 F216	I130-V134 HydrophobicContact CG2-CG2 4.35Å; I130-V134 VanDerWaalsContact O-CG2 3.27Å; I130-V134 WeakPolarHBondContact O-CG2 3.46Å; I130-V134 PolarHBondContact O-N 2.93Å; A131-V134 PolarHBondContact O-N 3.09Å; V134-F137 PolarHBondContact O-N 3.17Å; V134-I138 HydrophobicContact CG1-CD1 3.97Å; V134-I138 WeakPolarHBondContact O-CG1 3.5Å; V134-I138 PolarHBondContact O-N 3.27Å; V134-I138 VanDerWaalsContact O-N 3.14Å; V134-Y213 HydrophobicContact CB-CE2 4.48Å; V134-Y213 HydrophobicContact CG1-CE2 4.17Å; V134-Y213 HydrophobicContact CG2-CE2 4.19Å; V134-F216 HydrophobicContact CG2-CE1 4.17Å
135	S	97.3	Very high	93.2	Very high	65 Å²	65	51 Å²	51	46%	0.455	26%	0.261	S	S	.	.	H	α-helix	trans	-59.1	-49.1	176.9	-171.2	0	0	0	0	111.2	A131 D132 I133 F137 I138 T139	A131-S135 VanDerWaalsContact O-CB 3.32Å; A131-S135 WeakPolarHBondContact O-CB 3.27Å; A131-S135 PolarHBondContact O-N 2.94Å; D132-S135 PolarHBondContact O-N 3.19Å; I133-S135 VanDerWaalsContact C-N 3.32Å; I133-S135 PolarHBondContact O-N 2.76Å; S135-F137 PolarHBondContact O-N 2.95Å; S135-I138 PolarHBondContact O-N 3.41Å; S135-T139 WeakPolarHBondContact O-CB 3.3Å; S135-T139 PolarHBondContact O-N 2.86Å; S135-T139 PolarHBondContact O-OG1 3.23Å
136	L	98	Very high	94.5	Very high	14 Å²	14	53.2 Å²	53.2	7%	0.073	27%	0.273	C	S	.	.	H	α-helix	trans	-65.9	-37.7	-177.9	-73.8	162.7	0	0	0	112.6	D132 I133 I138 T139 V140 D157 E160 L161	D132-L136 WeakPolarHBondContact O-CB 3.45Å; D132-L136 WeakPolarHBondContact O-CD1 3.33Å; D132-L136 VanDerWaalsContact O-CG 3.28Å; D132-L136 WeakPolarHBondContact O-CG 3.38Å; D132-L136 PolarHBondContact O-N 3.09Å; I133-L136 PolarHBondContact O-N 3.4Å; L136-I138 PolarHBondContact O-N 2.98Å; L136-T139 PolarHBondContact O-N 3.06Å; L136-V140 WeakPolarHBondContact O-CG2 3.36Å; L136-V140 PolarHBondContact O-N 2.82Å; L136-D157 HydrophobicContact CD2-CB 4.44Å; L136-E160 HydrophobicContact CD1-CB 4.23Å; L136-E160 HydrophobicContact CD1-CG 3.82Å; L136-E160 HydrophobicContact CD2-CB 4.29Å; L136-E160 HydrophobicContact CD2-CG 4.33Å; L136-L161 HydrophobicContact CB-CB 4.05Å; L136-L161 HydrophobicContact CB-CD1 3.94Å; L136-L161 HydrophobicContact CB-CG 4.48Å; L136-L161 HydrophobicContact CD1-CB 4.38Å
137	F	98.1	Very high	95.3	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-57.6	-48.6	171	-92.3	-64.9	0	0	0	111.5	I133 V134 S135 M141 L161 M165 V181 L209 A212 Y213	I133-F137 HydrophobicContact CG2-CD2 3.69Å; I133-F137 HydrophobicContact CG2-CE2 3.66Å; I133-F137 WeakPolarHBondContact O-CD2 3.47Å; I133-F137 PolarHBondContact O-N 2.95Å; V134-F137 PolarHBondContact O-N 3.17Å; S135-F137 PolarHBondContact O-N 2.95Å; F137-M141 HydrophobicContact CB-CE 4.27Å; F137-M141 WeakPolarHBondContact O-CB 3.24Å; F137-M141 VanDerWaalsContact O-CE 3.31Å; F137-M141 WeakPolarHBondContact O-CE 3.44Å; F137-M141 VanDerWaalsContact O-CG 3.3Å; F137-M141 WeakPolarHBondContact O-CG 3.34Å; F137-M141 PolarHBondContact O-N 3.47Å; F137-M141 VanDerWaalsContact O-N 3.07Å; F137-L161 HydrophobicContact CD1-CD2 3.9Å; F137-L161 HydrophobicContact CD2-CD1 3.85Å; F137-L161 HydrophobicContact CD2-CD2 4.35Å; F137-L161 HydrophobicContact CE1-CD2 3.85Å; F137-L161 HydrophobicContact CE2-CD1 3.89Å; F137-L161 HydrophobicContact CE2-CD2 4.31Å; F137-L161 HydrophobicContact CG-CD1 4.34Å; F137-L161 HydrophobicContact CG-CD2 4.15Å; F137-L161 HydrophobicContact CZ-CD1 4.39Å; F137-L161 HydrophobicContact CZ-CD2 4.06Å; F137-M165 HydrophobicContact CE2-SD 4.41Å; F137-M165 HydrophobicContact CZ-SD 4.38Å; F137-V181 HydrophobicContact CE1-CG2 4.08Å; F137-V181 HydrophobicContact CZ-CG2 4.01Å; F137-L209 HydrophobicContact CD1-CD2 4.41Å; F137-L209 HydrophobicContact CE1-CD2 4.12Å; F137-A212 HydrophobicContact CE1-CB 3.87Å; F137-A212 HydrophobicContact CZ-CB 3.97Å; F137-Y213 HydrophobicContact CB-CD2 3.87Å; F137-Y213 HydrophobicContact CB-CE2 4.46Å; F137-Y213 AromaticContact CD2-CD2 3.77Å; F137-Y213 HydrophobicContact CD2-CD2 3.77Å; F137-Y213 HydrophobicContact CE2-CD2 4.45Å; F137-Y213 AromaticContact CG-CD2 3.83Å; F137-Y213 HydrophobicContact CG-CD2 3.83Å; F137-Y213 HydrophobicContact CG-CG 4.42Å
138	I	97.4	Very high	95.9	Very high	75 Å²	75	55 Å²	55	39%	0.385	28%	0.277	S	S	.	.	H	α-helix	trans	-61.4	-48.5	178	-66	166	0	0	0	110	V134 S135 L136 V140 M141 D142	V134-I138 HydrophobicContact CG1-CD1 3.97Å; V134-I138 WeakPolarHBondContact O-CG1 3.5Å; V134-I138 PolarHBondContact O-N 3.27Å; V134-I138 VanDerWaalsContact O-N 3.14Å; S135-I138 PolarHBondContact O-N 3.41Å; L136-I138 PolarHBondContact O-N 2.98Å; I138-V140 PolarHBondContact O-N 2.7Å; I138-M141 PolarHBondContact O-N 2.89Å; I138-D142 WeakPolarHBondContact CG2-OD2 3.3Å; I138-D142 VanDerWaalsContact O-CB 3.32Å; I138-D142 WeakPolarHBondContact O-CB 3.47Å; I138-D142 VanDerWaalsContact O-CG 3.29Å; I138-D142 PolarHBondContact O-N 3.46Å
139	T	98.1	Very high	96.4	Very high	54 Å²	54	48.9 Å²	48.9	33%	0.331	25%	0.254	S	S	.	.	H	α-helix	trans	-57	-49.8	-179.5	-59.2	0	0	0	0	112.2	S135 L136 D142 K143 D157	S135-T139 WeakPolarHBondContact O-CB 3.3Å; S135-T139 PolarHBondContact O-N 2.86Å; S135-T139 PolarHBondContact O-OG1 3.23Å; L136-T139 PolarHBondContact O-N 3.06Å; T139-D142 PolarHBondContact O-N 3.2Å; T139-K143 WeakPolarHBondContact O-CG 3.34Å; T139-K143 PolarHBondContact O-N 2.69Å; T139-D157 WeakPolarHBondContact CG2-OD2 3.27Å
140	V	97.8	Very high	96.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.5	-44.4	-179.6	177	0	0	0	0	111	L136 I138 D142 K143 L144 I154 D157 L158 M205 L209	L136-V140 WeakPolarHBondContact O-CG2 3.36Å; L136-V140 PolarHBondContact O-N 2.82Å; I138-V140 PolarHBondContact O-N 2.7Å; V140-D142 VanDerWaalsContact C-N 3.32Å; V140-D142 PolarHBondContact O-N 2.71Å; V140-K143 PolarHBondContact O-N 3.18Å; V140-L144 HydrophobicContact CG1-CD1 4.42Å; V140-L144 WeakPolarHBondContact O-CG 3.16Å; V140-L144 PolarHBondContact O-N 2.87Å; V140-I154 HydrophobicContact CG1-CG2 4.21Å; V140-D157 HydrophobicContact CG2-CB 3.55Å; V140-L158 HydrophobicContact CG1-CD1 4.47Å; V140-M205 HydrophobicContact CG1-CE 3.88Å; V140-L209 HydrophobicContact CB-CD1 4.35Å; V140-L209 HydrophobicContact CG1-CD1 3.55Å
141	M	98.3	Very high	97	Very high	14 Å²	14	48.8 Å²	48.8	7%	0.069	26%	0.255	C	S	.	.	H	α-helix	trans	-63.2	-38.7	177.6	-73	-172.1	-68.7	0	0	112.2	F137 I138 L144 R145 L206 L209 E210	F137-M141 HydrophobicContact CB-CE 4.27Å; F137-M141 WeakPolarHBondContact O-CB 3.24Å; F137-M141 VanDerWaalsContact O-CE 3.31Å; F137-M141 WeakPolarHBondContact O-CE 3.44Å; F137-M141 VanDerWaalsContact O-CG 3.3Å; F137-M141 WeakPolarHBondContact O-CG 3.34Å; F137-M141 PolarHBondContact O-N 3.47Å; F137-M141 VanDerWaalsContact O-N 3.07Å; I138-M141 PolarHBondContact O-N 2.89Å; M141-L144 PolarHBondContact O-N 3.16Å; M141-R145 WeakPolarHBondContact O-CG 3.49Å; M141-R145 PolarHBondContact O-N 2.78Å; M141-R145 VanDerWaalsContact O-N 3.07Å; M141-L206 HydrophobicContact CB-CD2 4.06Å; M141-L206 HydrophobicContact CG-CD2 4.2Å; M141-L209 HydrophobicContact CG-CB 4.03Å; M141-L209 HydrophobicContact CG-CD1 4.21Å; M141-L209 HydrophobicContact SD-CB 4.39Å; M141-E210 HydrophobicContact SD-CB 4.49Å
142	D	98.2	Very high	97.2	Very high	66 Å²	66	50.2 Å²	50.2	35%	0.353	26%	0.255	S	S	.	.	H	α-helix	trans	-72.2	-38.2	179.7	-73.7	-11.3	0	0	0	111.9	I138 T139 V140 L144 R145 L146	I138-D142 WeakPolarHBondContact CG2-OD2 3.3Å; I138-D142 VanDerWaalsContact O-CB 3.32Å; I138-D142 WeakPolarHBondContact O-CB 3.47Å; I138-D142 VanDerWaalsContact O-CG 3.29Å; I138-D142 PolarHBondContact O-N 3.46Å; T139-D142 PolarHBondContact O-N 3.2Å; V140-D142 VanDerWaalsContact C-N 3.32Å; V140-D142 PolarHBondContact O-N 2.71Å; D142-L144 VanDerWaalsContact C-N 3.33Å; D142-L144 PolarHBondContact O-N 3.37Å; D142-R145 PolarHBondContact O-N 2.98Å; D142-R145 IonicContact OD1-NH1 3.09Å; D142-R145 PolarHBondContact OD1-NH1 3.15Å; D142-L146 WeakPolarHBondContact O-CB 3.26Å; D142-L146 VanDerWaalsContact O-CG 3.27Å; D142-L146 WeakPolarHBondContact O-CG 3.31Å; D142-L146 PolarHBondContact O-N 3.18Å
143	K	98	Very high	97.3	Very high	48 Å²	48	52.1 Å²	52.1	21%	0.209	26%	0.262	C	S	.	.	H	α-helix	trans	-53.5	-50.6	170.2	-80.6	-175.6	170.8	-179.9	0	111.4	T139 V140 R145 L146 E147 I148 E153 D157	T139-K143 WeakPolarHBondContact O-CG 3.34Å; T139-K143 PolarHBondContact O-N 2.69Å; V140-K143 PolarHBondContact O-N 3.18Å; K143-R145 VanDerWaalsContact C-N 3.32Å; K143-R145 PolarHBondContact O-N 3.42Å; K143-L146 CarbonylContact O-C 3.54Å; K143-L146 PolarHBondContact O-N 2.88Å; K143-L146 VanDerWaalsContact O-N 3.14Å; K143-E147 PolarHBondContact O-N 2.76Å; K143-I148 HydrophobicContact CB-CB 4.1Å; K143-I148 HydrophobicContact CB-CD1 4.38Å; K143-I148 HydrophobicContact CB-CG2 4.35Å; K143-I148 HydrophobicContact CG-CD1 4.08Å; K143-I148 HydrophobicContact CG-CG2 4.47Å; K143-I148 WeakPolarHBondContact O-CB 3.33Å; K143-I148 PolarHBondContact O-N 3.37Å; K143-E153 PolarHBondContact NZ-O 3.36Å; K143-D157 WeakPolarHBondContact CD-OD2 3.33Å; K143-D157 WeakPolarHBondContact CE-OD2 3.36Å; K143-D157 IonicContact NZ-OD1 3.98Å; K143-D157 IonicContact NZ-OD2 3.62Å; K143-D157 PolarHBondContact NZ-OD2 2.8Å
144	L	97.7	Very high	97.4	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-60.1	-40.3	178.3	-69.4	171.1	0	0	0	112.5	V140 M141 D142 L146 E147 I154 L197 V202 M205 L206 L209	V140-L144 HydrophobicContact CG1-CD1 4.42Å; V140-L144 WeakPolarHBondContact O-CG 3.16Å; V140-L144 PolarHBondContact O-N 2.87Å; M141-L144 PolarHBondContact O-N 3.16Å; D142-L144 VanDerWaalsContact C-N 3.33Å; D142-L144 PolarHBondContact O-N 3.37Å; L144-L146 VanDerWaalsContact C-N 3.33Å; L144-E147 PolarHBondContact O-N 3.09Å; L144-I154 HydrophobicContact CD2-CD1 3.61Å; L144-I154 HydrophobicContact CD2-CG1 4.49Å; L144-L197 HydrophobicContact CD2-CD1 4.03Å; L144-V202 HydrophobicContact CB-CG1 4.26Å; L144-V202 HydrophobicContact CD2-CG1 4.37Å; L144-V202 HydrophobicContact CD2-CG2 4.32Å; L144-M205 HydrophobicContact CD1-CB 4.17Å; L144-M205 HydrophobicContact CD1-CE 4.18Å; L144-M205 HydrophobicContact CD1-CG 3.72Å; L144-M205 HydrophobicContact CD1-SD 3.82Å; L144-M205 HydrophobicContact CD2-SD 4.14Å; L144-L206 HydrophobicContact CB-CD1 4.41Å; L144-L206 HydrophobicContact CB-CD2 3.89Å; L144-L206 HydrophobicContact CB-CG 4.08Å; L144-L206 HydrophobicContact CD1-CD2 4Å; L144-L206 HydrophobicContact CD1-CG 4.07Å; L144-L209 HydrophobicContact CD1-CD1 4.03Å
145	R	97.6	Very high	97.4	Very high	141 Å²	141	51.6 Å²	51.6	53%	0.532	26%	0.257	S	S	.	.	H	α-helix	trans	-69.9	-28.4	177.2	-73.3	171.6	-179.8	143.1	1.1	113.5	M141 D142 K143 E147 L206	M141-R145 WeakPolarHBondContact O-CG 3.49Å; M141-R145 PolarHBondContact O-N 2.78Å; M141-R145 VanDerWaalsContact O-N 3.07Å; D142-R145 PolarHBondContact O-N 2.98Å; D142-R145 IonicContact OD1-NH1 3.09Å; D142-R145 PolarHBondContact OD1-NH1 3.15Å; K143-R145 VanDerWaalsContact C-N 3.32Å; K143-R145 PolarHBondContact O-N 3.42Å; R145-E147 PolarHBondContact O-N 3.27Å; R145-L206 HydrophobicContact CG-CD1 4.3Å; R145-L206 HydrophobicContact CG-CD2 4.22Å
146	L	97.8	Very high	97.4	Very high	130 Å²	130	51.4 Å²	51.4	68%	0.681	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	10.8	175	-68.4	172.5	0	0	0	112.9	D142 K143 L144 I148	D142-L146 WeakPolarHBondContact O-CB 3.26Å; D142-L146 VanDerWaalsContact O-CG 3.27Å; D142-L146 WeakPolarHBondContact O-CG 3.31Å; D142-L146 PolarHBondContact O-N 3.18Å; K143-L146 CarbonylContact O-C 3.54Å; K143-L146 PolarHBondContact O-N 2.88Å; K143-L146 VanDerWaalsContact O-N 3.14Å; L144-L146 VanDerWaalsContact C-N 3.33Å; L146-I148 HydrophobicContact CB-CD1 4.33Å; L146-I148 HydrophobicContact CB-CG1 4.48Å; L146-I148 PolarHBondContact O-N 2.92Å
147	E	96.2	Very high	97.4	Very high	140 Å²	140	52 Å²	52	65%	0.654	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	23.7	-178	-51.3	-170.4	143	0	0	114.1	K143 L144 R145 R149	K143-E147 PolarHBondContact O-N 2.76Å; L144-E147 PolarHBondContact O-N 3.09Å; R145-E147 PolarHBondContact O-N 3.27Å; E147-R149 PolarHBondContact O-N 2.96Å; E147-R149 IonicContact OE1-NH2 2.67Å
148	I	97	Very high	97.4	Very high	46 Å²	46	52 Å²	52	24%	0.236	26%	0.258	C	S	.	.			trans	-80.7	106.3	166.9	-61.7	164.2	0	0	0	107.2	K143 L146 E153	K143-I148 HydrophobicContact CB-CB 4.1Å; K143-I148 HydrophobicContact CB-CD1 4.38Å; K143-I148 HydrophobicContact CB-CG2 4.35Å; K143-I148 HydrophobicContact CG-CD1 4.08Å; K143-I148 HydrophobicContact CG-CG2 4.47Å; K143-I148 WeakPolarHBondContact O-CB 3.33Å; K143-I148 PolarHBondContact O-N 3.37Å; L146-I148 HydrophobicContact CB-CD1 4.33Å; L146-I148 HydrophobicContact CB-CG1 4.48Å; L146-I148 PolarHBondContact O-N 2.92Å; I148-E153 HydrophobicContact CG2-CB 3.6Å; I148-E153 HydrophobicContact CG2-CG 4.27Å; I148-E153 WeakPolarHBondContact CG2-OE2 3.46Å
149	R	96.7	Very high	97.4	Very high	44 Å²	44	53.5 Å²	53.5	17%	0.166	26%	0.258	C	S	.	.			trans	-121.8	-9.9	-167.2	-61.9	174.1	-170.9	-146.8	4.6	114.4	E147 E196 L197 D199 V202	E147-R149 PolarHBondContact O-N 2.96Å; E147-R149 IonicContact OE1-NH2 2.67Å; R149-E196 HydrophobicContact CB-CB 4.17Å; R149-E196 HydrophobicContact CB-CG 4.45Å; R149-E196 WeakPolarHBondContact O-CA 3.31Å; R149-L197 PolarHBondContact O-N 3.41Å; R149-D199 IonicContact CZ-OD1 3.96Å; R149-D199 VanDerWaalsContact CZ-OD1 3.28Å; R149-D199 IonicContact NH1-OD1 2.63Å; R149-D199 PolarHBondContact NH1-OD1 3.35Å; R149-D199 IonicContact NH2-OD1 3.4Å; R149-D199 PolarHBondContact NH2-OD1 2.97Å; R149-V202 HydrophobicContact CG-CG2 3.97Å
150	A	97.1	Very high	97.3	Very high	10 Å²	10	55.5 Å²	55.5	8%	0.083	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-68.1	140.5	-176.8	0	0	0	0	0	111.4	D152 E153 I154 E196	A150-D152 VanDerWaalsContact C-N 3.34Å; A150-D152 WeakPolarHBondContact CB-OD1 3.35Å; A150-D152 PolarHBondContact O-N 3.13Å; A150-E153 HydrophobicContact CB-CB 4.35Å; A150-E153 HydrophobicContact CB-CG 4.11Å; A150-E153 PolarHBondContact O-N 3.02Å; A150-E153 VanDerWaalsContact O-N 3.16Å; A150-I154 WeakPolarHBondContact O-CG1 3.34Å; A150-I154 PolarHBondContact O-N 3.42Å; A150-I154 VanDerWaalsContact O-N 3.14Å; A150-E196 HydrophobicContact CB-CG 4.34Å
151	M	96.7	Very high	97.3	Very high	30 Å²	30	55.5 Å²	55.5	15%	0.148	26%	0.264	C	S	.	.	H	α-helix	trans	-53.8	-50.1	-179.9	-178.7	-71.6	-133.3	0	0	111.3	E153 I154 Q155 L188 M191 S192 D195	M151-E153 PolarHBondContact O-N 3.02Å; M151-I154 PolarHBondContact O-N 2.97Å; M151-Q155 WeakPolarHBondContact O-CB 3.47Å; M151-Q155 PolarHBondContact O-N 3.47Å; M151-Q155 HydrophobicContact SD-CB 3.79Å; M151-Q155 HydrophobicContact SD-CG 4.02Å; M151-L188 WeakPolarHBondContact CE-O 3.42Å; M151-L188 HydrophobicContact CG-CB 4.43Å; M151-L188 HydrophobicContact CG-CD2 4.41Å; M151-L188 VanDerWaalsContact CG-O 3.32Å; M151-L188 WeakPolarHBondContact CG-O 3.33Å; M151-M191 HydrophobicContact CB-CB 4.32Å; M151-M191 WeakPolarHBondContact CE-O 3.5Å; M151-M191 HydrophobicContact CG-CB 3.87Å; M151-S192 VanDerWaalsContact CB-O 3.31Å; M151-S192 WeakPolarHBondContact CB-O 3.44Å; M151-D195 WeakPolarHBondContact CB-O 2.99Å; M151-D195 PolarHBondContact N-O 2.95Å
152	D	96.9	Very high	97.1	Very high	86 Å²	86	56.1 Å²	56.1	46%	0.46	27%	0.267	S	S	.	.	H	α-helix	trans	-67.2	-20.2	-177.4	66	-24	0	0	0	114	A150 P156 A193	A150-D152 VanDerWaalsContact C-N 3.34Å; A150-D152 WeakPolarHBondContact CB-OD1 3.35Å; A150-D152 PolarHBondContact O-N 3.13Å; D152-P156 WeakPolarHBondContact O-CD 3.32Å; D152-P156 VanDerWaalsContact O-CG 3.26Å; D152-P156 WeakPolarHBondContact O-CG 3.08Å; D152-A193 HydrophobicContact CB-CB 4.05Å; D152-A193 PolarHBondContact N-O 3.11Å
153	E	96.9	Very high	96.9	Very high	96 Å²	96	57.6 Å²	57.6	45%	0.449	27%	0.272	S	S	.	.	H	α-helix	trans	-87.2	-29.6	175.7	-63.8	-167.1	98.6	0	0	113.4	K143 I148 A150 M151	K143-E153 PolarHBondContact NZ-O 3.36Å; I148-E153 HydrophobicContact CG2-CB 3.6Å; I148-E153 HydrophobicContact CG2-CG 4.27Å; I148-E153 WeakPolarHBondContact CG2-OE2 3.46Å; A150-E153 HydrophobicContact CB-CB 4.35Å; A150-E153 HydrophobicContact CB-CG 4.11Å; A150-E153 PolarHBondContact O-N 3.02Å; A150-E153 VanDerWaalsContact O-N 3.16Å; M151-E153 PolarHBondContact O-N 3.02Å
154	I	97.2	Very high	96.6	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-95.5	-42.5	-177.5	-61	167.2	0	0	0	111.8	V140 L144 A150 M151 P156 D157 L158 L188 L197 M205	V140-I154 HydrophobicContact CG1-CG2 4.21Å; L144-I154 HydrophobicContact CD2-CD1 3.61Å; L144-I154 HydrophobicContact CD2-CG1 4.49Å; A150-I154 WeakPolarHBondContact O-CG1 3.34Å; A150-I154 PolarHBondContact O-N 3.42Å; A150-I154 VanDerWaalsContact O-N 3.14Å; M151-I154 PolarHBondContact O-N 2.97Å; I154-P156 VanDerWaalsContact C-CD 3.47Å; I154-D157 PolarHBondContact O-N 2.9Å; I154-L158 PolarHBondContact O-N 3.22Å; I154-L188 HydrophobicContact CB-CD1 4.16Å; I154-L188 HydrophobicContact CG2-CD1 3.66Å; I154-L197 HydrophobicContact CD1-CD1 3.77Å; I154-L197 HydrophobicContact CD1-CG 4.47Å; I154-M205 HydrophobicContact CG2-CE 3.71Å
155	Q	96.8	Very high	96.3	Very high	21 Å²	21	55.1 Å²	55.1	10%	0.098	26%	0.261	C	S	.	.	H	α-helix	trans	-57.1	-41.6	-170.9	-167.4	-66.9	-37.6	0	0	113.5	M151 L158 R159 L188	M151-Q155 WeakPolarHBondContact O-CB 3.47Å; M151-Q155 PolarHBondContact O-N 3.47Å; M151-Q155 HydrophobicContact SD-CB 3.79Å; M151-Q155 HydrophobicContact SD-CG 4.02Å; Q155-L158 PolarHBondContact O-N 3.42Å; Q155-R159 WeakPolarHBondContact O-CB 3.43Å; Q155-R159 PolarHBondContact O-N 2.99Å; Q155-L188 HydrophobicContact CB-CB 4.25Å; Q155-L188 HydrophobicContact CB-CD1 4.3Å; Q155-L188 HydrophobicContact CG-CB 4.04Å
156	P	97.4	Very high	95.9	Very high	61 Å²	61	52.8 Å²	52.8	40%	0.396	26%	0.259	S	S	.	.	H	α-helix	trans	-61.5	-46.1	-179	-25.6	36.5	0	0	0	113.2	D152 I154 L158 R159 E160	D152-P156 WeakPolarHBondContact O-CD 3.32Å; D152-P156 VanDerWaalsContact O-CG 3.26Å; D152-P156 WeakPolarHBondContact O-CG 3.08Å; I154-P156 VanDerWaalsContact C-CD 3.47Å; P156-L158 PolarHBondContact O-N 3.4Å; P156-R159 WeakPolarHBondContact O-CB 3.3Å; P156-R159 PolarHBondContact O-N 2.87Å; P156-E160 PolarHBondContact O-N 3.35Å
157	D	97.8	Very high	95.2	Very high	26 Å²	26	52.5 Å²	52.5	14%	0.139	25%	0.249	C	C	.	.	H	α-helix	trans	-67.1	-39	-180	-65.6	-8.6	0	0	0	111.2	L136 T139 V140 K143 I154 R159 E160 L161	L136-D157 HydrophobicContact CD2-CB 4.44Å; T139-D157 WeakPolarHBondContact CG2-OD2 3.27Å; V140-D157 HydrophobicContact CG2-CB 3.55Å; K143-D157 WeakPolarHBondContact CD-OD2 3.33Å; K143-D157 WeakPolarHBondContact CE-OD2 3.36Å; K143-D157 IonicContact NZ-OD1 3.98Å; K143-D157 IonicContact NZ-OD2 3.62Å; K143-D157 PolarHBondContact NZ-OD2 2.8Å; I154-D157 PolarHBondContact O-N 2.9Å; D157-R159 VanDerWaalsContact C-N 3.32Å; D157-R159 PolarHBondContact O-N 3.32Å; D157-E160 PolarHBondContact O-N 3.24Å; D157-L161 WeakPolarHBondContact O-CB 3.27Å; D157-L161 PolarHBondContact O-N 2.97Å
158	L	97.1	Very high	94.6	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.2	-35.1	177.6	-167.5	70.3	0	0	0	111.8	V140 I154 Q155 P156 L161 M162 V181 W184 L185 L188 M205 L209	V140-L158 HydrophobicContact CG1-CD1 4.47Å; I154-L158 PolarHBondContact O-N 3.22Å; Q155-L158 PolarHBondContact O-N 3.42Å; P156-L158 PolarHBondContact O-N 3.4Å; L158-L161 HydrophobicContact CD1-CD2 4.24Å; L158-M162 PolarHBondContact O-N 3.47Å; L158-M162 VanDerWaalsContact O-N 3.09Å; L158-V181 HydrophobicContact CD1-CG1 3.9Å; L158-V181 HydrophobicContact CG-CG1 4.25Å; L158-W184 HydrophobicContact CD2-CB 3.67Å; L158-L185 HydrophobicContact CB-CD1 4.48Å; L158-L185 HydrophobicContact CD2-CB 4.06Å; L158-L185 HydrophobicContact CD2-CD1 4.46Å; L158-L185 HydrophobicContact CG-CB 4.42Å; L158-L185 HydrophobicContact CG-CD1 4.46Å; L158-L188 HydrophobicContact CD2-CD1 3.81Å; L158-M205 HydrophobicContact CD1-CE 4.26Å; L158-M205 HydrophobicContact CD2-CE 3.94Å; L158-L209 HydrophobicContact CD1-CD2 4.07Å
159	R	97.3	Very high	93.3	Very high	107 Å²	107	48.5 Å²	48.5	40%	0.404	24%	0.24	S	C	.	.	H	α-helix	trans	-64.8	-48	172.6	-178.3	-177.6	-65.3	-80.1	-2.7	110.7	Q155 P156 D157 L161 M162 E163 L185	Q155-R159 WeakPolarHBondContact O-CB 3.43Å; Q155-R159 PolarHBondContact O-N 2.99Å; P156-R159 WeakPolarHBondContact O-CB 3.3Å; P156-R159 PolarHBondContact O-N 2.87Å; D157-R159 VanDerWaalsContact C-N 3.32Å; D157-R159 PolarHBondContact O-N 3.32Å; R159-L161 VanDerWaalsContact C-N 3.27Å; R159-L161 PolarHBondContact O-N 3.45Å; R159-M162 PolarHBondContact O-N 3.26Å; R159-E163 WeakPolarHBondContact O-CG 3.37Å; R159-E163 PolarHBondContact O-N 3.33Å; R159-L185 HydrophobicContact CB-CD1 3.94Å
160	E	96.8	Very high	92.3	Very high	95 Å²	95	49.4 Å²	49.4	44%	0.444	25%	0.248	S	C	.	.	H	α-helix	trans	-61.5	-38.3	177.8	-170.8	175	-173.7	0	0	111.5	L136 P156 D157 E163 T164	L136-E160 HydrophobicContact CD1-CB 4.23Å; L136-E160 HydrophobicContact CD1-CG 3.82Å; L136-E160 HydrophobicContact CD2-CB 4.29Å; L136-E160 HydrophobicContact CD2-CG 4.33Å; P156-E160 PolarHBondContact O-N 3.35Å; D157-E160 PolarHBondContact O-N 3.24Å; E160-E163 PolarHBondContact O-N 3.16Å; E160-T164 VanDerWaalsContact O-CB 3.29Å; E160-T164 WeakPolarHBondContact O-CB 3.3Å; E160-T164 PolarHBondContact O-N 3.33Å; E160-T164 PolarHBondContact O-OG1 2.85Å
161	L	97.1	Very high	91.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.1	-51.6	173.7	176.8	58.6	0	0	0	110.7	I133 L136 F137 D157 L158 R159 E163 T164 M165 V181	I133-L161 HydrophobicContact CB-CD1 4.37Å; I133-L161 HydrophobicContact CG2-CD1 3.92Å; L136-L161 HydrophobicContact CB-CB 4.05Å; L136-L161 HydrophobicContact CB-CD1 3.94Å; L136-L161 HydrophobicContact CB-CG 4.48Å; L136-L161 HydrophobicContact CD1-CB 4.38Å; F137-L161 HydrophobicContact CD1-CD2 3.9Å; F137-L161 HydrophobicContact CD2-CD1 3.85Å; F137-L161 HydrophobicContact CD2-CD2 4.35Å; F137-L161 HydrophobicContact CE1-CD2 3.85Å; F137-L161 HydrophobicContact CE2-CD1 3.89Å; F137-L161 HydrophobicContact CE2-CD2 4.31Å; F137-L161 HydrophobicContact CG-CD1 4.34Å; F137-L161 HydrophobicContact CG-CD2 4.15Å; F137-L161 HydrophobicContact CZ-CD1 4.39Å; F137-L161 HydrophobicContact CZ-CD2 4.06Å; D157-L161 WeakPolarHBondContact O-CB 3.27Å; D157-L161 PolarHBondContact O-N 2.97Å; L158-L161 HydrophobicContact CD1-CD2 4.24Å; R159-L161 VanDerWaalsContact C-N 3.27Å; R159-L161 PolarHBondContact O-N 3.45Å; L161-E163 PolarHBondContact O-N 3.43Å; L161-T164 PolarHBondContact O-N 2.89Å; L161-M165 HydrophobicContact CD1-CG 4.2Å; L161-M165 HydrophobicContact CD1-SD 3.96Å; L161-M165 HydrophobicContact CG-SD 3.96Å; L161-M165 VanDerWaalsContact O-CG 3.23Å; L161-M165 WeakPolarHBondContact O-CG 3.39Å; L161-M165 PolarHBondContact O-N 3.23Å; L161-V181 HydrophobicContact CD2-CG1 4.18Å; L161-V181 HydrophobicContact CD2-CG2 3.87Å; L161-V181 HydrophobicContact CG-CG1 4.23Å; L161-V181 HydrophobicContact CG-CG2 4.39Å
162	M	95.3	Very high	90.5	Very high	27 Å²	27	51.1 Å²	51.1	13%	0.133	26%	0.26	C	S	.	.	H	α-helix	trans	-62.4	-43.7	179.9	-170.3	61.1	-176	0	0	112.4	L158 R159 T164 M165 N166 K178 V181 L185	L158-M162 PolarHBondContact O-N 3.47Å; L158-M162 VanDerWaalsContact O-N 3.09Å; R159-M162 PolarHBondContact O-N 3.26Å; M162-T164 VanDerWaalsContact C-N 3.34Å; M162-T164 PolarHBondContact O-N 3.35Å; M162-M165 PolarHBondContact O-N 3.3Å; M162-N166 WeakPolarHBondContact O-CB 3.38Å; M162-N166 PolarHBondContact O-N 3.15Å; M162-N166 PolarHBondContact O-ND2 3.38Å; M162-K178 HydrophobicContact CE-CB 4.13Å; M162-K178 HydrophobicContact CE-CG 4.36Å; M162-K178 HydrophobicContact SD-CB 4.48Å; M162-K178 HydrophobicContact SD-CG 4.5Å; M162-V181 HydrophobicContact CB-CG1 3.91Å; M162-V181 HydrophobicContact CG-CG1 4.47Å; M162-V181 HydrophobicContact SD-CB 4.31Å; M162-V181 HydrophobicContact SD-CG1 4Å; M162-L185 HydrophobicContact CB-CD2 3.99Å; M162-L185 HydrophobicContact CG-CD2 4.16Å
163	E	92.9	Very high	89.3	Confident	97 Å²	97	51.8 Å²	51.8	45%	0.453	27%	0.269	S	S	.	.	H	α-helix	trans	-62.1	-42.7	177.1	-73.4	178.4	-171.7	0	0	111.4	R159 E160 L161 N166 R167	R159-E163 WeakPolarHBondContact O-CG 3.37Å; R159-E163 PolarHBondContact O-N 3.33Å; E160-E163 PolarHBondContact O-N 3.16Å; L161-E163 PolarHBondContact O-N 3.43Å; E163-N166 PolarHBondContact O-N 2.99Å; E163-R167 WeakPolarHBondContact O-CG 3.24Å; E163-R167 PolarHBondContact O-N 3.2Å
164	T	92.2	Very high	88.1	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65.8	-41.7	178	-54.4	0	0	0	0	111.5	C129 D132 I133 E160 L161 M162 N166 R167 M168	C129-T164 HydrophobicContact CB-CG2 4.38Å; D132-T164 HydrophobicContact CB-CG2 3.89Å; I133-T164 HydrophobicContact CD1-CG2 4.22Å; I133-T164 HydrophobicContact CG1-CG2 3.62Å; E160-T164 VanDerWaalsContact O-CB 3.29Å; E160-T164 WeakPolarHBondContact O-CB 3.3Å; E160-T164 PolarHBondContact O-N 3.33Å; E160-T164 PolarHBondContact O-OG1 2.85Å; L161-T164 PolarHBondContact O-N 2.89Å; M162-T164 VanDerWaalsContact C-N 3.34Å; M162-T164 PolarHBondContact O-N 3.35Å; T164-N166 VanDerWaalsContact C-N 3.26Å; T164-N166 PolarHBondContact O-N 3.44Å; T164-R167 PolarHBondContact O-N 3.28Å; T164-R167 PolarHBondContact OG1-NH2 3.48Å; T164-M168 PolarHBondContact O-N 3.45Å
165	M	91.3	Very high	87.6	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-31.7	172.8	-68.5	172.7	78.4	0	0	112.7	I133 F137 L161 M162 M168 M171 A177 K178 V181	I133-M165 HydrophobicContact CD1-CB 4.49Å; I133-M165 HydrophobicContact CD1-CG 3.91Å; I133-M165 HydrophobicContact CG1-CG 3.94Å; I133-M165 HydrophobicContact CG2-CG 4.24Å; F137-M165 HydrophobicContact CE2-SD 4.41Å; F137-M165 HydrophobicContact CZ-SD 4.38Å; L161-M165 HydrophobicContact CD1-CG 4.2Å; L161-M165 HydrophobicContact CD1-SD 3.96Å; L161-M165 HydrophobicContact CG-SD 3.96Å; L161-M165 VanDerWaalsContact O-CG 3.23Å; L161-M165 WeakPolarHBondContact O-CG 3.39Å; L161-M165 PolarHBondContact O-N 3.23Å; M162-M165 PolarHBondContact O-N 3.3Å; M165-M168 WeakPolarHBondContact O-CB 3.33Å; M165-M168 PolarHBondContact O-N 2.88Å; M165-M171 HydrophobicContact CB-SD 4.28Å; M165-M171 HydrophobicContact CE-CE 3.63Å; M165-M171 HydrophobicContact CE-SD 4.08Å; M165-A177 HydrophobicContact CE-CB 3.61Å; M165-K178 HydrophobicContact CB-CG 4.37Å; M165-K178 HydrophobicContact CE-CG 3.8Å; M165-K178 WeakPolarHBondContact O-CE 3.47Å; M165-K178 PolarHBondContact O-NZ 3.45Å; M165-V181 HydrophobicContact SD-CB 4.48Å; M165-V181 HydrophobicContact SD-CG2 4.03Å
166	N	88.4	Confident	87.3	Confident	91 Å²	91	57.7 Å²	57.7	49%	0.487	30%	0.303	S	S	.	.	H	α-helix	trans	-77.1	-25.7	176.2	-75.5	-29.7	0	0	0	113.7	M162 E163 T164 M168 K178	M162-N166 WeakPolarHBondContact O-CB 3.38Å; M162-N166 PolarHBondContact O-N 3.15Å; M162-N166 PolarHBondContact O-ND2 3.38Å; E163-N166 PolarHBondContact O-N 2.99Å; T164-N166 VanDerWaalsContact C-N 3.26Å; T164-N166 PolarHBondContact O-N 3.44Å; N166-M168 PolarHBondContact O-N 3.31Å; N166-K178 PolarHBondContact OD1-NZ 2.98Å
167	R	84.5	Confident	87.1	Confident	124 Å²	124	54.9 Å²	54.9	47%	0.468	29%	0.285	S	S	.	.	H	α-helix	trans	-70.3	-18.8	172	-68.3	-170.1	-58	-108.3	6.1	113	E163 T164 S169	E163-R167 WeakPolarHBondContact O-CG 3.24Å; E163-R167 PolarHBondContact O-N 3.2Å; T164-R167 PolarHBondContact O-N 3.28Å; T164-R167 PolarHBondContact OG1-NH2 3.48Å; R167-S169 PolarHBondContact O-N 2.88Å; R167-S169 VanDerWaalsContact O-N 3.15Å
168	M	82.7	Confident	86.9	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.025	28%	0.281	C	S	.	.			trans	-78.3	96.4	-178.6	-170.6	170.4	-161	0	0	110.8	L126 I130 I133 T164 M165 N166 N170 M171 F216 F219 L220	L126-M168 HydrophobicContact CD1-CE 3.34Å; L126-M168 HydrophobicContact CD1-CG 3.93Å; L126-M168 HydrophobicContact CD1-SD 4.43Å; L126-M168 HydrophobicContact CG-CE 4.31Å; I130-M168 HydrophobicContact CD1-CE 3.98Å; I130-M168 HydrophobicContact CG1-CE 3.55Å; I133-M168 HydrophobicContact CD1-SD 3.93Å; T164-M168 PolarHBondContact O-N 3.45Å; M165-M168 WeakPolarHBondContact O-CB 3.33Å; M165-M168 PolarHBondContact O-N 2.88Å; N166-M168 PolarHBondContact O-N 3.31Å; M168-N170 VanDerWaalsContact C-N 3.26Å; M168-N170 WeakPolarHBondContact CG-OD1 3.4Å; M168-N170 PolarHBondContact O-N 2.84Å; M168-M171 HydrophobicContact CB-CB 4.22Å; M168-M171 HydrophobicContact CG-CB 4.09Å; M168-M171 WeakPolarHBondContact O-CB 3.4Å; M168-M171 PolarHBondContact O-N 3.49Å; M168-M171 VanDerWaalsContact O-N 3.09Å; M168-M171 HydrophobicContact SD-CB 4.39Å; M168-F216 HydrophobicContact CE-CE2 4.25Å; M168-F216 HydrophobicContact CE-CZ 4.37Å; M168-F216 HydrophobicContact SD-CE2 3.71Å; M168-F216 HydrophobicContact SD-CZ 4.14Å; M168-F219 HydrophobicContact CE-CE1 3.85Å; M168-F219 HydrophobicContact SD-CE1 4.2Å; M168-L220 HydrophobicContact CE-CD2 3.8Å
169	S	70.3	Confident	86.8	Confident	97 Å²	97	58.7 Å²	58.7	68%	0.678	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-23.2	-171.7	52.9	0	0	0	0	115.1	R167	R167-S169 PolarHBondContact O-N 2.88Å; R167-S169 VanDerWaalsContact O-N 3.15Å
170	N	75.2	Confident	86.7	Confident	64 Å²	64	55.4 Å²	55.4	34%	0.342	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-6.4	177.3	64.3	-25	0	0	0	113.6	L126 M168 F219	L126-N170 WeakPolarHBondContact CD1-OD1 3.38Å; M168-N170 VanDerWaalsContact C-N 3.26Å; M168-N170 WeakPolarHBondContact CG-OD1 3.4Å; M168-N170 PolarHBondContact O-N 2.84Å; N170-F219 HydrophobicContact CB-CZ 4.41Å; N170-F219 WeakPolarHBondContact O-CE2 3.32Å; N170-F219 VanDerWaalsContact O-CZ 3.24Å; N170-F219 WeakPolarHBondContact O-CZ 3.48Å
171	M	78	Confident	86.7	Confident	11 Å²	11	50.9 Å²	50.9	5%	0.054	27%	0.272	C	S	.	.	S	Bend	trans	-83.1	125.1	-179.8	-165.8	171.3	-161.4	0	0	110.6	M165 M168 S175 A177 K178 F216 F219	M165-M171 HydrophobicContact CB-SD 4.28Å; M165-M171 HydrophobicContact CE-CE 3.63Å; M165-M171 HydrophobicContact CE-SD 4.08Å; M168-M171 HydrophobicContact CB-CB 4.22Å; M168-M171 HydrophobicContact CG-CB 4.09Å; M168-M171 WeakPolarHBondContact O-CB 3.4Å; M168-M171 PolarHBondContact O-N 3.49Å; M168-M171 VanDerWaalsContact O-N 3.09Å; M168-M171 HydrophobicContact SD-CB 4.39Å; M171-S175 WeakPolarHBondContact CE-OG 3.11Å; M171-A177 HydrophobicContact CE-CB 3.77Å; M171-K178 HydrophobicContact CE-CG 4.47Å; M171-K178 HydrophobicContact SD-CD 4.4Å; M171-K178 VanDerWaalsContact SD-CE 3.54Å; M171-K178 HydrophobicContact SD-CG 4.31Å; M171-F216 HydrophobicContact CE-CD2 3.66Å; M171-F216 HydrophobicContact CE-CE2 4.31Å; M171-F216 HydrophobicContact SD-CD2 4.33Å; M171-F216 HydrophobicContact SD-CE2 4.41Å; M171-F219 HydrophobicContact CB-CE1 4.26Å; M171-F219 HydrophobicContact CB-CZ 4.19Å; M171-F219 HydrophobicContact CG-CE1 4.28Å; M171-F219 HydrophobicContact CG-CZ 4.46Å
172	P	78.3	Confident	86.7	Confident	65 Å²	65	53 Å²	53	42%	0.422	29%	0.287	S	S	.	.			trans	-54.2	142.4	176	-24.7	33.1	0	0	0	111.7	D174 S175	P172-D174 VanDerWaalsContact C-N 3.32Å; P172-D174 PolarHBondContact O-N 3.24Å; P172-S175 WeakPolarHBondContact O-CB 3.46Å
173	P	70.9	Confident	86.7	Confident	100 Å²	100	56.3 Å²	56.3	65%	0.649	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-40.4	176.7	21.9	-29.8	0	0	0	111.8	S175	P173-S175 PolarHBondContact O-N 3.45Å
174	D	73.7	Confident	87	Confident	142 Å²	142	52.3 Å²	52.3	76%	0.759	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	39	-177.1	-48.6	-35.9	0	0	0	112.1	P172	P172-D174 VanDerWaalsContact C-N 3.32Å; P172-D174 PolarHBondContact O-N 3.24Å
175	S	85.5	Confident	87.2	Confident	17 Å²	17	53.4 Å²	53.4	12%	0.119	29%	0.291	C	S	.	.			trans	-79.3	134.4	-179.3	72.5	0	0	0	0	110.9	M171 P172 P173 A177 K178 D179	M171-S175 WeakPolarHBondContact CE-OG 3.11Å; P172-S175 WeakPolarHBondContact O-CB 3.46Å; P173-S175 PolarHBondContact O-N 3.45Å; S175-A177 PolarHBondContact O-N 3.16Å; S175-K178 PolarHBondContact O-N 3.01Å; S175-K178 WeakPolarHBondContact OG-CB 3.35Å; S175-K178 VanDerWaalsContact OG-CG 3.23Å; S175-K178 WeakPolarHBondContact OG-CG 3.5Å; S175-K178 PolarHBondContact OG-N 3.25Å; S175-D179 PolarHBondContact O-N 3.5Å
176	E	91.3	Very high	87.4	Confident	83 Å²	83	58 Å²	58	39%	0.388	32%	0.319	S	S	.	.	H	α-helix	trans	-49.1	-36.5	174.8	-177.2	-172.6	179.7	0	0	112.5	K180 A215 R218	E176-K180 WeakPolarHBondContact O-CG 3.46Å; E176-K180 PolarHBondContact O-N 3.03Å; E176-K180 WeakPolarHBondContact OE1-CE 3.36Å; E176-K180 IonicContact OE1-NZ 2.76Å; E176-K180 PolarHBondContact OE1-NZ 3.09Å; E176-A215 HydrophobicContact CB-CB 4.16Å; E176-A215 HydrophobicContact CG-CB 4.34Å; E176-R218 IonicContact OE2-NH2 2.88Å; E176-R218 PolarHBondContact OE2-NH2 3.48Å
177	A	91.8	Very high	87.8	Confident	2 Å²	2	56 Å²	56	2%	0.017	31%	0.31	C	S	.	.	H	α-helix	trans	-63.5	-46	177.3	0	0	0	0	0	112.4	M165 M171 S175 V181 A212 A215 F216	M165-A177 HydrophobicContact CE-CB 3.61Å; M171-A177 HydrophobicContact CE-CB 3.77Å; S175-A177 PolarHBondContact O-N 3.16Å; A177-V181 WeakPolarHBondContact O-CG2 3.35Å; A177-V181 PolarHBondContact O-N 3.06Å; A177-A212 HydrophobicContact CB-CB 4.34Å; A177-A212 WeakPolarHBondContact CB-O 3.39Å; A177-A215 HydrophobicContact CB-CB 4.32Å; A177-F216 HydrophobicContact CB-CB 4.28Å
178	K	93.8	Very high	88.4	Confident	13 Å²	13	50 Å²	50	6%	0.057	29%	0.288	C	S	.	.	H	α-helix	trans	-66.5	-40.1	178.1	-76.4	180	179.8	-179.7	0	111.4	M162 M165 N166 M171 S175 K180 V181 S182	M162-K178 HydrophobicContact CE-CB 4.13Å; M162-K178 HydrophobicContact CE-CG 4.36Å; M162-K178 HydrophobicContact SD-CB 4.48Å; M162-K178 HydrophobicContact SD-CG 4.5Å; M165-K178 HydrophobicContact CB-CG 4.37Å; M165-K178 HydrophobicContact CE-CG 3.8Å; M165-K178 WeakPolarHBondContact O-CE 3.47Å; M165-K178 PolarHBondContact O-NZ 3.45Å; N166-K178 PolarHBondContact OD1-NZ 2.98Å; M171-K178 HydrophobicContact CE-CG 4.47Å; M171-K178 HydrophobicContact SD-CD 4.4Å; M171-K178 VanDerWaalsContact SD-CE 3.54Å; M171-K178 HydrophobicContact SD-CG 4.31Å; S175-K178 PolarHBondContact O-N 3.01Å; S175-K178 WeakPolarHBondContact OG-CB 3.35Å; S175-K178 VanDerWaalsContact OG-CG 3.23Å; S175-K178 WeakPolarHBondContact OG-CG 3.5Å; S175-K178 PolarHBondContact OG-N 3.25Å; K178-K180 PolarHBondContact O-N 3.5Å; K178-V181 PolarHBondContact O-N 3.29Å; K178-S182 WeakPolarHBondContact O-CB 3.3Å; K178-S182 PolarHBondContact O-N 3.45Å
179	D	94.8	Very high	88.9	Confident	93 Å²	93	52.8 Å²	52.8	50%	0.497	31%	0.308	S	S	.	.	H	α-helix	trans	-60.2	-45.7	-178.9	-66.3	-21.2	0	0	0	111.8	S175 S182 L183	S175-D179 PolarHBondContact O-N 3.5Å; D179-S182 PolarHBondContact O-N 3.29Å; D179-L183 WeakPolarHBondContact O-CB 3.41Å; D179-L183 PolarHBondContact O-N 3.36Å
180	K	96.3	Very high	90	Very high	37 Å²	37	51.6 Å²	51.6	16%	0.161	31%	0.31	C	S	.	.	H	α-helix	trans	-68.4	-42.3	179.3	-70.1	-177.9	-170.8	175.7	0	112.7	E176 K178 S182 L183 W184 D208 S211 A212	E176-K180 WeakPolarHBondContact O-CG 3.46Å; E176-K180 PolarHBondContact O-N 3.03Å; E176-K180 WeakPolarHBondContact OE1-CE 3.36Å; E176-K180 IonicContact OE1-NZ 2.76Å; E176-K180 PolarHBondContact OE1-NZ 3.09Å; K178-K180 PolarHBondContact O-N 3.5Å; K180-S182 VanDerWaalsContact C-N 3.35Å; K180-L183 WeakPolarHBondContact O-CB 3.46Å; K180-L183 PolarHBondContact O-N 2.88Å; K180-W184 VanDerWaalsContact O-CD1 3.32Å; K180-W184 PolarHBondContact O-N 3.47Å; K180-D208 HydrophobicContact CD-CB 4.27Å; K180-D208 VanDerWaalsContact CD-O 3.3Å; K180-D208 WeakPolarHBondContact CD-O 3.39Å; K180-S211 PolarHBondContact NZ-OG 3.41Å; K180-A212 HydrophobicContact CB-CB 3.98Å; K180-A212 HydrophobicContact CD-CB 4.23Å
181	V	96.7	Very high	91	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-43.4	175.8	173.4	0	0	0	0	110.4	F137 L158 L161 M162 M165 A177 K178 L183 W184 L185 L209	F137-V181 HydrophobicContact CE1-CG2 4.08Å; F137-V181 HydrophobicContact CZ-CG2 4.01Å; L158-V181 HydrophobicContact CD1-CG1 3.9Å; L158-V181 HydrophobicContact CG-CG1 4.25Å; L161-V181 HydrophobicContact CD2-CG1 4.18Å; L161-V181 HydrophobicContact CD2-CG2 3.87Å; L161-V181 HydrophobicContact CG-CG1 4.23Å; L161-V181 HydrophobicContact CG-CG2 4.39Å; M162-V181 HydrophobicContact CB-CG1 3.91Å; M162-V181 HydrophobicContact CG-CG1 4.47Å; M162-V181 HydrophobicContact SD-CB 4.31Å; M162-V181 HydrophobicContact SD-CG1 4Å; M165-V181 HydrophobicContact SD-CB 4.48Å; M165-V181 HydrophobicContact SD-CG2 4.03Å; A177-V181 WeakPolarHBondContact O-CG2 3.35Å; A177-V181 PolarHBondContact O-N 3.06Å; K178-V181 PolarHBondContact O-N 3.29Å; V181-L183 PolarHBondContact O-N 3.26Å; V181-W184 PolarHBondContact O-N 3.03Å; V181-L185 WeakPolarHBondContact O-CB 3.47Å; V181-L185 PolarHBondContact O-N 2.88Å; V181-L209 HydrophobicContact CG2-CD2 4.31Å
182	S	96.1	Very high	91.8	Very high	46 Å²	46	53 Å²	53	32%	0.322	32%	0.322	S	S	.	.	H	α-helix	trans	-64.1	-37.8	178.1	-171.8	0	0	0	0	112.8	K178 D179 K180 L185 T186	K178-S182 WeakPolarHBondContact O-CB 3.3Å; K178-S182 PolarHBondContact O-N 3.45Å; D179-S182 PolarHBondContact O-N 3.29Å; K180-S182 VanDerWaalsContact C-N 3.35Å; S182-L185 PolarHBondContact O-N 3.21Å; S182-T186 WeakPolarHBondContact O-CB 3.44Å; S182-T186 PolarHBondContact O-N 3.33Å; S182-T186 PolarHBondContact O-OG1 3.1Å
183	L	96.9	Very high	92.4	Very high	95 Å²	95	52.5 Å²	52.5	50%	0.497	32%	0.324	S	S	.	.	H	α-helix	trans	-56.2	-55.3	174.2	173.4	65.6	0	0	0	110.5	D179 K180 V181 L185 T186 T187	D179-L183 WeakPolarHBondContact O-CB 3.41Å; D179-L183 PolarHBondContact O-N 3.36Å; K180-L183 WeakPolarHBondContact O-CB 3.46Å; K180-L183 PolarHBondContact O-N 2.88Å; V181-L183 PolarHBondContact O-N 3.26Å; L183-L185 VanDerWaalsContact C-N 3.35Å; L183-L185 PolarHBondContact O-N 3.34Å; L183-T186 WeakPolarHBondContact O-CB 3.35Å; L183-T186 PolarHBondContact O-N 3Å; L183-T187 PolarHBondContact O-N 3.04Å; L183-T187 PolarHBondContact O-OG1 3.11Å; L183-T187 VanDerWaalsContact O-OG1 3.08Å
184	W	97.8	Very high	93.5	Very high	14 Å²	14	52.4 Å²	52.4	5%	0.053	33%	0.326	C	S	.	.	H	α-helix	trans	-67.3	-35.1	-178.7	-76	106.8	0	0	0	113	L158 K180 V181 T186 T187 L188 L197 Q201 Q204 M205 D208	L158-W184 HydrophobicContact CD2-CB 3.67Å; K180-W184 VanDerWaalsContact O-CD1 3.32Å; K180-W184 PolarHBondContact O-N 3.47Å; V181-W184 PolarHBondContact O-N 3.03Å; W184-T186 VanDerWaalsContact C-N 3.29Å; W184-T186 PolarHBondContact O-N 3.35Å; W184-T187 HydrophobicContact CE3-CG2 4.33Å; W184-T187 HydrophobicContact CZ3-CG2 4.3Å; W184-T187 PolarHBondContact O-N 3.46Å; W184-L188 WeakPolarHBondContact O-CG 3.35Å; W184-L188 PolarHBondContact O-N 2.79Å; W184-L197 HydrophobicContact CZ3-CD2 4.45Å; W184-Q201 HydrophobicContact CH2-CB 4.34Å; W184-Q201 WeakPolarHBondContact CH2-O 3.29Å; W184-Q201 HydrophobicContact CZ3-CB 4.44Å; W184-Q204 HydrophobicContact CH2-CB 4.28Å; W184-Q204 HydrophobicContact CH2-CG 4.48Å; W184-Q204 HydrophobicContact CZ2-CB 3.99Å; W184-Q204 HydrophobicContact CZ2-CG 3.88Å; W184-M205 HydrophobicContact CB-CE 4.19Å; W184-M205 HydrophobicContact CD2-CB 3.83Å; W184-M205 HydrophobicContact CD2-CG 3.62Å; W184-M205 HydrophobicContact CD2-SD 3.98Å; W184-M205 VanDerWaalsContact CE2-CA 3.43Å; W184-M205 HydrophobicContact CE3-CB 4.02Å; W184-M205 HydrophobicContact CE3-CG 3.97Å; W184-M205 HydrophobicContact CE3-SD 3.81Å; W184-M205 HydrophobicContact CG-CE 4.43Å; W184-M205 HydrophobicContact CG-CG 3.89Å; W184-M205 HydrophobicContact CG-SD 4.29Å; W184-M205 HydrophobicContact CH2-CB 3.79Å; W184-M205 HydrophobicContact CZ2-CB 3.59Å; W184-M205 HydrophobicContact CZ2-CG 4.32Å; W184-M205 VanDerWaalsContact CZ2-N 3.27Å; W184-M205 HydrophobicContact CZ3-CB 3.99Å; W184-M205 HydrophobicContact CZ3-CG 4.44Å; W184-M205 HydrophobicContact CZ3-SD 4.38Å; W184-D208 PolarHBondContact NE1-OD2 3.16Å
185	L	96.7	Very high	94.6	Very high	23 Å²	23	48.6 Å²	48.6	12%	0.12	31%	0.306	C	S	.	.	H	α-helix	trans	-63	-38.9	174.4	-173.8	62.9	0	0	0	111.5	L158 R159 M162 V181 S182 L183 S189	L158-L185 HydrophobicContact CB-CD1 4.48Å; L158-L185 HydrophobicContact CD2-CB 4.06Å; L158-L185 HydrophobicContact CD2-CD1 4.46Å; L158-L185 HydrophobicContact CG-CB 4.42Å; L158-L185 HydrophobicContact CG-CD1 4.46Å; R159-L185 HydrophobicContact CB-CD1 3.94Å; M162-L185 HydrophobicContact CB-CD2 3.99Å; M162-L185 HydrophobicContact CG-CD2 4.16Å; V181-L185 WeakPolarHBondContact O-CB 3.47Å; V181-L185 PolarHBondContact O-N 2.88Å; S182-L185 PolarHBondContact O-N 3.21Å; L183-L185 VanDerWaalsContact C-N 3.35Å; L183-L185 PolarHBondContact O-N 3.34Å; L185-S189 VanDerWaalsContact O-CB 3.28Å; L185-S189 WeakPolarHBondContact O-CB 3.47Å; L185-S189 PolarHBondContact O-N 3.22Å; L185-S189 PolarHBondContact O-OG 2.82Å
186	T	96.9	Very high	95.1	Very high	95 Å²	95	54.1 Å²	54.1	58%	0.583	33%	0.329	S	S	*	.	H	α-helix	trans	-67.4	-45.2	175.5	-56.5	0	0	0	0	110.9	S182 L183 W184 S189 G190	S182-T186 WeakPolarHBondContact O-CB 3.44Å; S182-T186 PolarHBondContact O-N 3.33Å; S182-T186 PolarHBondContact O-OG1 3.1Å; L183-T186 WeakPolarHBondContact O-CB 3.35Å; L183-T186 PolarHBondContact O-N 3Å; W184-T186 VanDerWaalsContact C-N 3.29Å; W184-T186 PolarHBondContact O-N 3.35Å; T186-S189 PolarHBondContact O-N 3.43Å; T186-G190 PolarHBondContact O-N 3.35Å
187	T	96.6	Very high	95.4	Very high	49 Å²	49	50.3 Å²	50.3	30%	0.301	31%	0.312	S	S	.	.	H	α-helix	trans	-56	-53	176	-58.1	0	0	0	0	111.4	L183 W184 S189 G190	L183-T187 PolarHBondContact O-N 3.04Å; L183-T187 PolarHBondContact O-OG1 3.11Å; L183-T187 VanDerWaalsContact O-OG1 3.08Å; W184-T187 HydrophobicContact CE3-CG2 4.33Å; W184-T187 HydrophobicContact CZ3-CG2 4.3Å; W184-T187 PolarHBondContact O-N 3.46Å; T187-S189 VanDerWaalsContact C-N 3.34Å; T187-S189 PolarHBondContact O-N 3.27Å; T187-G190 PolarHBondContact O-N 3.47Å; T187-G190 VanDerWaalsContact O-N 3.15Å
188	L	95.8	Very high	95.7	Very high	0 Å²	0	54 Å²	54	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-65.2	-35.8	-179.9	-70.6	173.2	0	0	0	112.4	M151 I154 Q155 L158 W184 G190 M191 L197 M205	M151-L188 WeakPolarHBondContact CE-O 3.42Å; M151-L188 HydrophobicContact CG-CB 4.43Å; M151-L188 HydrophobicContact CG-CD2 4.41Å; M151-L188 VanDerWaalsContact CG-O 3.32Å; M151-L188 WeakPolarHBondContact CG-O 3.33Å; I154-L188 HydrophobicContact CB-CD1 4.16Å; I154-L188 HydrophobicContact CG2-CD1 3.66Å; Q155-L188 HydrophobicContact CB-CB 4.25Å; Q155-L188 HydrophobicContact CB-CD1 4.3Å; Q155-L188 HydrophobicContact CG-CB 4.04Å; L158-L188 HydrophobicContact CD2-CD1 3.81Å; W184-L188 WeakPolarHBondContact O-CG 3.35Å; W184-L188 PolarHBondContact O-N 2.79Å; L188-G190 PolarHBondContact O-N 3.44Å; L188-M191 HydrophobicContact CD2-SD 4.01Å; L188-M191 WeakPolarHBondContact O-CB 3.28Å; L188-M191 PolarHBondContact O-N 3.22Å; L188-M191 VanDerWaalsContact O-N 3.07Å; L188-L197 HydrophobicContact CD2-CD1 4.31Å; L188-L197 HydrophobicContact CD2-CD2 3.97Å; L188-L197 HydrophobicContact CD2-CG 4.23Å; L188-M205 HydrophobicContact CD1-CE 4.37Å
189	S	93.6	Very high	95.8	Very high	63 Å²	63	57.5 Å²	57.5	44%	0.441	35%	0.35	S	S	.	.	H	α-helix	trans	-67.2	-17.6	177.5	-59.2	0	0	0	0	113.3	L185 T186 T187	L185-S189 VanDerWaalsContact O-CB 3.28Å; L185-S189 WeakPolarHBondContact O-CB 3.47Å; L185-S189 PolarHBondContact O-N 3.22Å; L185-S189 PolarHBondContact O-OG 2.82Å; T186-S189 PolarHBondContact O-N 3.43Å; T187-S189 VanDerWaalsContact C-N 3.34Å; T187-S189 PolarHBondContact O-N 3.27Å
190	G	94	Very high	95.9	Very high	71 Å²	71	58.5 Å²	58.5	73%	0.732	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-6.5	173.3	0	0	0	0	0	114.5	T186 T187 L188	T186-G190 PolarHBondContact O-N 3.35Å; T187-G190 PolarHBondContact O-N 3.47Å; T187-G190 VanDerWaalsContact O-N 3.15Å; L188-G190 PolarHBondContact O-N 3.44Å
191	M	95.1	Very high	96	Very high	36 Å²	36	59.5 Å²	59.5	18%	0.177	36%	0.361	C	S	.	.	S	Bend	trans	-97.5	157.8	-178.4	-65.7	171.6	68	0	0	111	M151 L188 D195 L197	M151-M191 HydrophobicContact CB-CB 4.32Å; M151-M191 WeakPolarHBondContact CE-O 3.5Å; M151-M191 HydrophobicContact CG-CB 3.87Å; L188-M191 HydrophobicContact CD2-SD 4.01Å; L188-M191 WeakPolarHBondContact O-CB 3.28Å; L188-M191 PolarHBondContact O-N 3.22Å; L188-M191 VanDerWaalsContact O-N 3.07Å; M191-D195 HydrophobicContact CB-CB 4.03Å; M191-D195 HydrophobicContact CE-CB 3.59Å; M191-L197 HydrophobicContact CE-CD2 4.18Å; M191-L197 HydrophobicContact SD-CD2 4.01Å
192	S	96.1	Very high	96.1	Very high	68 Å²	68	60 Å²	60	48%	0.476	36%	0.364	S	S	.	.			trans	-75.2	156.1	168.4	-50.4	0	0	0	0	110	M151 S194 D195	M151-S192 VanDerWaalsContact CB-O 3.31Å; M151-S192 WeakPolarHBondContact CB-O 3.44Å; S192-S194 PolarHBondContact O-N 2.87Å; S192-S194 VanDerWaalsContact O-N 3.14Å; S192-D195 WeakPolarHBondContact CA-OD2 3.39Å; S192-D195 VanDerWaalsContact CB-OD2 3.3Å; S192-D195 WeakPolarHBondContact CB-OD2 3.47Å; S192-D195 PolarHBondContact N-OD2 3.41Å; S192-D195 WeakPolarHBondContact O-CB 3.48Å; S192-D195 PolarHBondContact O-N 3.25Å; S192-D195 PolarHBondContact OG-OD2 3.03Å
193	A	91	Very high	96.1	Very high	55 Å²	55	65.8 Å²	65.8	46%	0.455	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-37.5	-179.5	0	0	0	0	0	113.5	D152	D152-A193 HydrophobicContact CB-CB 4.05Å; D152-A193 PolarHBondContact N-O 3.11Å
194	S	92.3	Very high	96.2	Very high	98 Å²	98	65.7 Å²	65.7	69%	0.685	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-5.1	-179.9	57.8	0	0	0	0	114.8	S192	S192-S194 PolarHBondContact O-N 2.87Å; S192-S194 VanDerWaalsContact O-N 3.14Å
195	D	96.8	Very high	96.2	Very high	63 Å²	63	65 Å²	65	34%	0.337	37%	0.373	S	S	.	.			trans	-75.6	140.9	-178.9	-64.7	-18.6	0	0	0	109.3	M151 M191 S192	M151-D195 WeakPolarHBondContact CB-O 2.99Å; M151-D195 PolarHBondContact N-O 2.95Å; M191-D195 HydrophobicContact CB-CB 4.03Å; M191-D195 HydrophobicContact CE-CB 3.59Å; S192-D195 WeakPolarHBondContact CA-OD2 3.39Å; S192-D195 VanDerWaalsContact CB-OD2 3.3Å; S192-D195 WeakPolarHBondContact CB-OD2 3.47Å; S192-D195 PolarHBondContact N-OD2 3.41Å; S192-D195 WeakPolarHBondContact O-CB 3.48Å; S192-D195 PolarHBondContact O-N 3.25Å; S192-D195 PolarHBondContact OG-OD2 3.03Å
196	E	97.6	Very high	96.3	Very high	133 Å²	133	65.6 Å²	65.6	62%	0.621	38%	0.376	S	S	*	.	B	Isolated β-bridge	trans	-111.3	148.5	180	-68.3	-176.7	-179.3	0	0	111.5	R149 A150	R149-E196 HydrophobicContact CB-CB 4.17Å; R149-E196 HydrophobicContact CB-CG 4.45Å; R149-E196 WeakPolarHBondContact O-CA 3.31Å; A150-E196 HydrophobicContact CB-CG 4.34Å
197	L	97.2	Very high	96.3	Very high	3 Å²	3	67.2 Å²	67.2	2%	0.016	38%	0.375	C	S	.	.			trans	-70.7	134.4	169.1	-63.4	175.7	0	0	0	111.1	L144 R149 I154 W184 L188 M191 Q201 V202 M205	L144-L197 HydrophobicContact CD2-CD1 4.03Å; R149-L197 PolarHBondContact O-N 3.41Å; I154-L197 HydrophobicContact CD1-CD1 3.77Å; I154-L197 HydrophobicContact CD1-CG 4.47Å; W184-L197 HydrophobicContact CZ3-CD2 4.45Å; L188-L197 HydrophobicContact CD2-CD1 4.31Å; L188-L197 HydrophobicContact CD2-CD2 3.97Å; L188-L197 HydrophobicContact CD2-CG 4.23Å; M191-L197 HydrophobicContact CE-CD2 4.18Å; M191-L197 HydrophobicContact SD-CD2 4.01Å; L197-Q201 HydrophobicContact CB-CB 4.11Å; L197-Q201 HydrophobicContact CD2-CB 4.09Å; L197-V202 HydrophobicContact CB-CG2 3.81Å; L197-M205 HydrophobicContact CD1-SD 3.7Å
198	D	97.3	Very high	96.4	Very high	79 Å²	79	65.8 Å²	65.8	42%	0.422	37%	0.366	S	S	.	.			trans	-73.8	167.6	172.8	73.9	48.1	0	0	0	112.7	N200 Q201 V202	D198-N200 PolarHBondContact O-N 3.35Å; D198-N200 WeakPolarHBondContact OD1-CA 3.44Å; D198-N200 WeakPolarHBondContact OD1-CB 3.49Å; D198-N200 PolarHBondContact OD1-N 3.23Å; D198-Q201 PolarHBondContact O-N 3.33Å; D198-Q201 VanDerWaalsContact O-N 3.15Å; D198-Q201 WeakPolarHBondContact OD1-CG 3.3Å; D198-Q201 PolarHBondContact OD1-N 3.28Å; D198-Q201 PolarHBondContact OD2-OE1 3.46Å; D198-V202 WeakPolarHBondContact O-CG2 3.43Å; D198-V202 PolarHBondContact O-N 3.05Å
199	D	96.9	Very high	96.5	Very high	86 Å²	86	65.8 Å²	65.8	46%	0.46	37%	0.366	S	S	.	.	H	α-helix	trans	-56.8	-33.4	-178.4	-74.1	-38.3	0	0	0	113.7	R149 R203	R149-D199 IonicContact CZ-OD1 3.96Å; R149-D199 VanDerWaalsContact CZ-OD1 3.28Å; R149-D199 IonicContact NH1-OD1 2.63Å; R149-D199 PolarHBondContact NH1-OD1 3.35Å; R149-D199 IonicContact NH2-OD1 3.4Å; R149-D199 PolarHBondContact NH2-OD1 2.97Å; D199-R203 VanDerWaalsContact O-CG 3.31Å; D199-R203 WeakPolarHBondContact O-CG 3.36Å; D199-R203 PolarHBondContact O-N 3.07Å
200	N	97.3	Very high	96.7	Very high	114 Å²	114	67.6 Å²	67.6	61%	0.61	37%	0.367	S	S	*	.	H	α-helix	trans	-76.4	-41.6	179.5	-65.3	-41.2	0	0	0	110.5	D198 R203 Q204	D198-N200 PolarHBondContact O-N 3.35Å; D198-N200 WeakPolarHBondContact OD1-CA 3.44Å; D198-N200 WeakPolarHBondContact OD1-CB 3.49Å; D198-N200 PolarHBondContact OD1-N 3.23Å; N200-R203 PolarHBondContact O-N 2.95Å; N200-Q204 WeakPolarHBondContact O-CB 3.31Å; N200-Q204 PolarHBondContact O-N 3.16Å
201	Q	97.6	Very high	96.9	Very high	58 Å²	58	65.5 Å²	65.5	27%	0.271	34%	0.342	S	S	.	.	H	α-helix	trans	-61.4	-44.4	174.8	-69	176.9	-48.3	0	0	111.3	W184 L197 D198 R203 Q204 M205	W184-Q201 HydrophobicContact CH2-CB 4.34Å; W184-Q201 WeakPolarHBondContact CH2-O 3.29Å; W184-Q201 HydrophobicContact CZ3-CB 4.44Å; L197-Q201 HydrophobicContact CB-CB 4.11Å; L197-Q201 HydrophobicContact CD2-CB 4.09Å; D198-Q201 PolarHBondContact O-N 3.33Å; D198-Q201 VanDerWaalsContact O-N 3.15Å; D198-Q201 WeakPolarHBondContact OD1-CG 3.3Å; D198-Q201 PolarHBondContact OD1-N 3.28Å; D198-Q201 PolarHBondContact OD2-OE1 3.46Å; Q201-R203 PolarHBondContact O-N 3.2Å; Q201-Q204 PolarHBondContact O-N 2.86Å; Q201-M205 VanDerWaalsContact O-CB 3.26Å; Q201-M205 WeakPolarHBondContact O-CB 3.22Å; Q201-M205 PolarHBondContact O-N 3.02Å
202	V	98.1	Very high	96.9	Very high	11 Å²	11	63.8 Å²	63.8	7%	0.067	33%	0.333	C	S	.	.	H	α-helix	trans	-59.3	-47.3	176	171.4	0	0	0	0	111.1	L144 R149 L197 D198 Q204 M205 L206	L144-V202 HydrophobicContact CB-CG1 4.26Å; L144-V202 HydrophobicContact CD2-CG1 4.37Å; L144-V202 HydrophobicContact CD2-CG2 4.32Å; R149-V202 HydrophobicContact CG-CG2 3.97Å; L197-V202 HydrophobicContact CB-CG2 3.81Å; D198-V202 WeakPolarHBondContact O-CG2 3.43Å; D198-V202 PolarHBondContact O-N 3.05Å; V202-Q204 PolarHBondContact O-N 2.94Å; V202-M205 PolarHBondContact O-N 3.25Å; V202-L206 HydrophobicContact CG1-CD1 4.1Å; V202-L206 WeakPolarHBondContact O-CB 3.35Å; V202-L206 WeakPolarHBondContact O-CG 3.44Å; V202-L206 PolarHBondContact O-N 2.78Å
203	R	97.5	Very high	97	Very high	167 Å²	167	63.3 Å²	63.3	63%	0.63	32%	0.321	S	S	*	.	H	α-helix	trans	-62.6	-43.1	178.1	-74.2	178.1	-166.6	150.8	6.3	112.3	D199 N200 Q201 F207	D199-R203 VanDerWaalsContact O-CG 3.31Å; D199-R203 WeakPolarHBondContact O-CG 3.36Å; D199-R203 PolarHBondContact O-N 3.07Å; N200-R203 PolarHBondContact O-N 2.95Å; Q201-R203 PolarHBondContact O-N 3.2Å; R203-F207 PolarHBondContact O-N 2.89Å; R203-F207 VanDerWaalsContact O-N 3.1Å
204	Q	98.3	Very high	97.2	Very high	94 Å²	94	63.9 Å²	63.9	44%	0.439	32%	0.317	S	S	.	.	H	α-helix	trans	-66.5	-41.9	178.5	-171.7	57.4	53.7	0	0	111.1	W184 N200 Q201 V202 F207 D208	W184-Q204 HydrophobicContact CH2-CB 4.28Å; W184-Q204 HydrophobicContact CH2-CG 4.48Å; W184-Q204 HydrophobicContact CZ2-CB 3.99Å; W184-Q204 HydrophobicContact CZ2-CG 3.88Å; N200-Q204 WeakPolarHBondContact O-CB 3.31Å; N200-Q204 PolarHBondContact O-N 3.16Å; Q201-Q204 PolarHBondContact O-N 2.86Å; V202-Q204 PolarHBondContact O-N 2.94Å; Q204-F207 PolarHBondContact O-N 3.35Å; Q204-D208 PolarHBondContact NE2-OD1 3.5Å; Q204-D208 VanDerWaalsContact NE2-OD1 3.08Å; Q204-D208 PolarHBondContact NE2-OD2 3.48Å; Q204-D208 WeakPolarHBondContact O-CB 3.3Å; Q204-D208 VanDerWaalsContact O-CG 3.32Å; Q204-D208 PolarHBondContact O-N 3.44Å
205	M	98.1	Very high	97.3	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.3	-44.3	177.8	-173.1	169.6	177	0	0	111.7	V140 L144 I154 L158 W184 L188 L197 Q201 V202 F207 D208 L209	V140-M205 HydrophobicContact CG1-CE 3.88Å; L144-M205 HydrophobicContact CD1-CB 4.17Å; L144-M205 HydrophobicContact CD1-CE 4.18Å; L144-M205 HydrophobicContact CD1-CG 3.72Å; L144-M205 HydrophobicContact CD1-SD 3.82Å; L144-M205 HydrophobicContact CD2-SD 4.14Å; I154-M205 HydrophobicContact CG2-CE 3.71Å; L158-M205 HydrophobicContact CD1-CE 4.26Å; L158-M205 HydrophobicContact CD2-CE 3.94Å; W184-M205 HydrophobicContact CB-CE 4.19Å; W184-M205 HydrophobicContact CD2-CB 3.83Å; W184-M205 HydrophobicContact CD2-CG 3.62Å; W184-M205 HydrophobicContact CD2-SD 3.98Å; W184-M205 VanDerWaalsContact CE2-CA 3.43Å; W184-M205 HydrophobicContact CE3-CB 4.02Å; W184-M205 HydrophobicContact CE3-CG 3.97Å; W184-M205 HydrophobicContact CE3-SD 3.81Å; W184-M205 HydrophobicContact CG-CE 4.43Å; W184-M205 HydrophobicContact CG-CG 3.89Å; W184-M205 HydrophobicContact CG-SD 4.29Å; W184-M205 HydrophobicContact CH2-CB 3.79Å; W184-M205 HydrophobicContact CZ2-CB 3.59Å; W184-M205 HydrophobicContact CZ2-CG 4.32Å; W184-M205 VanDerWaalsContact CZ2-N 3.27Å; W184-M205 HydrophobicContact CZ3-CB 3.99Å; W184-M205 HydrophobicContact CZ3-CG 4.44Å; W184-M205 HydrophobicContact CZ3-SD 4.38Å; L188-M205 HydrophobicContact CD1-CE 4.37Å; L197-M205 HydrophobicContact CD1-SD 3.7Å; Q201-M205 VanDerWaalsContact O-CB 3.26Å; Q201-M205 WeakPolarHBondContact O-CB 3.22Å; Q201-M205 PolarHBondContact O-N 3.02Å; V202-M205 PolarHBondContact O-N 3.25Å; M205-F207 VanDerWaalsContact C-N 3.35Å; M205-F207 PolarHBondContact O-N 3.38Å; M205-D208 PolarHBondContact O-N 3.32Å; M205-L209 HydrophobicContact CE-CD1 3.91Å; M205-L209 HydrophobicContact CG-CD1 3.91Å; M205-L209 HydrophobicContact CG-CG 4.23Å; M205-L209 WeakPolarHBondContact O-CB 3.34Å; M205-L209 VanDerWaalsContact O-CG 3.25Å; M205-L209 WeakPolarHBondContact O-CG 3.08Å; M205-L209 PolarHBondContact O-N 3.17Å
206	L	98.3	Very high	97.2	Very high	35 Å²	35	56.8 Å²	56.8	18%	0.183	27%	0.273	C	S	.	.	H	α-helix	trans	-58.6	-46.2	174.5	-79.1	170.7	0	0	0	111.9	M141 L144 R145 V202 L209 E210	M141-L206 HydrophobicContact CB-CD2 4.06Å; M141-L206 HydrophobicContact CG-CD2 4.2Å; L144-L206 HydrophobicContact CB-CD1 4.41Å; L144-L206 HydrophobicContact CB-CD2 3.89Å; L144-L206 HydrophobicContact CB-CG 4.08Å; L144-L206 HydrophobicContact CD1-CD2 4Å; L144-L206 HydrophobicContact CD1-CG 4.07Å; R145-L206 HydrophobicContact CG-CD1 4.3Å; R145-L206 HydrophobicContact CG-CD2 4.22Å; V202-L206 HydrophobicContact CG1-CD1 4.1Å; V202-L206 WeakPolarHBondContact O-CB 3.35Å; V202-L206 WeakPolarHBondContact O-CG 3.44Å; V202-L206 PolarHBondContact O-N 2.78Å; L206-L209 PolarHBondContact O-N 3.25Å; L206-E210 WeakPolarHBondContact O-CB 3.3Å; L206-E210 PolarHBondContact O-N 3.43Å
207	F	98.1	Very high	96.9	Very high	128 Å²	128	52.1 Å²	52.1	56%	0.561	25%	0.253	S	S	*	.	H	α-helix	trans	-61.6	-45.6	177.9	176.9	-96.1	0	0	0	112.1	R203 Q204 M205 E210 S211	R203-F207 PolarHBondContact O-N 2.89Å; R203-F207 VanDerWaalsContact O-N 3.1Å; Q204-F207 PolarHBondContact O-N 3.35Å; M205-F207 VanDerWaalsContact C-N 3.35Å; M205-F207 PolarHBondContact O-N 3.38Å; F207-E210 PolarHBondContact O-N 3.2Å; F207-S211 VanDerWaalsContact O-CB 3.32Å; F207-S211 WeakPolarHBondContact O-CB 3.45Å; F207-S211 PolarHBondContact O-N 2.97Å
208	D	98.2	Very high	96.7	Very high	20 Å²	20	58.5 Å²	58.5	11%	0.107	28%	0.276	C	S	.	.	H	α-helix	trans	-67.4	-40.7	-179.5	-70.1	-28.8	0	0	0	112	K180 W184 Q204 M205 S211 A212	K180-D208 HydrophobicContact CD-CB 4.27Å; K180-D208 VanDerWaalsContact CD-O 3.3Å; K180-D208 WeakPolarHBondContact CD-O 3.39Å; W184-D208 PolarHBondContact NE1-OD2 3.16Å; Q204-D208 PolarHBondContact NE2-OD1 3.5Å; Q204-D208 VanDerWaalsContact NE2-OD1 3.08Å; Q204-D208 PolarHBondContact NE2-OD2 3.48Å; Q204-D208 WeakPolarHBondContact O-CB 3.3Å; Q204-D208 VanDerWaalsContact O-CG 3.32Å; Q204-D208 PolarHBondContact O-N 3.44Å; M205-D208 PolarHBondContact O-N 3.32Å; D208-S211 PolarHBondContact O-N 2.93Å; D208-A212 VanDerWaalsContact O-CB 3.31Å; D208-A212 WeakPolarHBondContact O-CB 3.46Å; D208-A212 PolarHBondContact O-N 3.28Å
209	L	97.9	Very high	96.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66.7	-40.8	176.2	-71.7	177.8	0	0	0	112.1	F137 V140 M141 L144 L158 V181 M205 L206 S211 A212 Y213	F137-L209 HydrophobicContact CD1-CD2 4.41Å; F137-L209 HydrophobicContact CE1-CD2 4.12Å; V140-L209 HydrophobicContact CB-CD1 4.35Å; V140-L209 HydrophobicContact CG1-CD1 3.55Å; M141-L209 HydrophobicContact CG-CB 4.03Å; M141-L209 HydrophobicContact CG-CD1 4.21Å; M141-L209 HydrophobicContact SD-CB 4.39Å; L144-L209 HydrophobicContact CD1-CD1 4.03Å; L158-L209 HydrophobicContact CD1-CD2 4.07Å; V181-L209 HydrophobicContact CG2-CD2 4.31Å; M205-L209 HydrophobicContact CE-CD1 3.91Å; M205-L209 HydrophobicContact CG-CD1 3.91Å; M205-L209 HydrophobicContact CG-CG 4.23Å; M205-L209 WeakPolarHBondContact O-CB 3.34Å; M205-L209 VanDerWaalsContact O-CG 3.25Å; M205-L209 WeakPolarHBondContact O-CG 3.08Å; M205-L209 PolarHBondContact O-N 3.17Å; L206-L209 PolarHBondContact O-N 3.25Å; L209-S211 VanDerWaalsContact C-N 3.29Å; L209-S211 PolarHBondContact O-N 3.26Å; L209-A212 PolarHBondContact O-N 3.05Å; L209-Y213 VanDerWaalsContact O-CB 3.3Å; L209-Y213 WeakPolarHBondContact O-CB 3.5Å; L209-Y213 PolarHBondContact O-N 3.19Å
210	E	97.5	Very high	95.9	Very high	100 Å²	100	54 Å²	54	47%	0.467	25%	0.251	S	S	.	.	H	α-helix	trans	-63.2	-40.4	174.4	-176.6	169.6	-162.2	0	0	110.8	M141 L206 F207 Y213 N214	M141-E210 HydrophobicContact SD-CB 4.49Å; L206-E210 WeakPolarHBondContact O-CB 3.3Å; L206-E210 PolarHBondContact O-N 3.43Å; F207-E210 PolarHBondContact O-N 3.2Å; E210-Y213 PolarHBondContact O-N 2.8Å; E210-N214 WeakPolarHBondContact O-CB 3.42Å; E210-N214 VanDerWaalsContact O-CG 3.25Å; E210-N214 PolarHBondContact O-N 3.46Å; E210-N214 PolarHBondContact O-ND2 3.04Å
211	S	97	Very high	95.3	Very high	28 Å²	28	56.5 Å²	56.5	20%	0.196	26%	0.258	C	S	.	.	H	α-helix	trans	-66.9	-41.5	175.9	-164.1	0	0	0	0	112.5	K180 F207 D208 L209 N214 A215	K180-S211 PolarHBondContact NZ-OG 3.41Å; F207-S211 VanDerWaalsContact O-CB 3.32Å; F207-S211 WeakPolarHBondContact O-CB 3.45Å; F207-S211 PolarHBondContact O-N 2.97Å; D208-S211 PolarHBondContact O-N 2.93Å; L209-S211 VanDerWaalsContact C-N 3.29Å; L209-S211 PolarHBondContact O-N 3.26Å; S211-N214 PolarHBondContact O-N 3.18Å; S211-A215 PolarHBondContact O-N 3.38Å
212	A	97	Very high	94.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-44.6	174.4	0	0	0	0	0	111.9	F137 A177 K180 D208 L209 N214 A215 F216	F137-A212 HydrophobicContact CE1-CB 3.87Å; F137-A212 HydrophobicContact CZ-CB 3.97Å; A177-A212 HydrophobicContact CB-CB 4.34Å; A177-A212 WeakPolarHBondContact CB-O 3.39Å; K180-A212 HydrophobicContact CB-CB 3.98Å; K180-A212 HydrophobicContact CD-CB 4.23Å; D208-A212 VanDerWaalsContact O-CB 3.31Å; D208-A212 WeakPolarHBondContact O-CB 3.46Å; D208-A212 PolarHBondContact O-N 3.28Å; L209-A212 PolarHBondContact O-N 3.05Å; A212-N214 VanDerWaalsContact C-N 3.35Å; A212-N214 PolarHBondContact O-N 3.08Å; A212-A215 WeakPolarHBondContact O-CB 3.02Å; A212-A215 PolarHBondContact O-N 3.21Å; A212-F216 WeakPolarHBondContact O-CB 3.49Å; A212-F216 PolarHBondContact O-N 3.37Å
213	Y	97.1	Very high	92.3	Very high	57 Å²	57	63.1 Å²	63.1	22%	0.224	31%	0.311	C	S	.	.	H	α-helix	trans	-60.7	-43.2	175.2	179.2	-110.4	0	0	0	111.7	V134 F137 L209 E210 F216 N217	V134-Y213 HydrophobicContact CB-CE2 4.48Å; V134-Y213 HydrophobicContact CG1-CE2 4.17Å; V134-Y213 HydrophobicContact CG2-CE2 4.19Å; F137-Y213 HydrophobicContact CB-CD2 3.87Å; F137-Y213 HydrophobicContact CB-CE2 4.46Å; F137-Y213 AromaticContact CD2-CD2 3.77Å; F137-Y213 HydrophobicContact CD2-CD2 3.77Å; F137-Y213 HydrophobicContact CE2-CD2 4.45Å; F137-Y213 AromaticContact CG-CD2 3.83Å; F137-Y213 HydrophobicContact CG-CD2 3.83Å; F137-Y213 HydrophobicContact CG-CG 4.42Å; L209-Y213 VanDerWaalsContact O-CB 3.3Å; L209-Y213 WeakPolarHBondContact O-CB 3.5Å; L209-Y213 PolarHBondContact O-N 3.19Å; E210-Y213 PolarHBondContact O-N 2.8Å; Y213-F216 WeakPolarHBondContact O-CB 3.33Å; Y213-F216 PolarHBondContact O-N 2.86Å; Y213-N217 WeakPolarHBondContact CE1-ND2 3.33Å; Y213-N217 VanDerWaalsContact CZ-ND2 3.26Å; Y213-N217 PolarHBondContact O-N 3.38Å; Y213-N217 PolarHBondContact O-ND2 3.5Å
214	N	95.7	Very high	92	Very high	67 Å²	67	57.9 Å²	57.9	36%	0.358	30%	0.295	S	S	.	.	H	α-helix	trans	-64.9	-39.5	175.2	-75.1	-38.3	0	0	0	112.4	E210 S211 A212 F216 N217 R218	E210-N214 WeakPolarHBondContact O-CB 3.42Å; E210-N214 VanDerWaalsContact O-CG 3.25Å; E210-N214 PolarHBondContact O-N 3.46Å; E210-N214 PolarHBondContact O-ND2 3.04Å; S211-N214 PolarHBondContact O-N 3.18Å; A212-N214 VanDerWaalsContact C-N 3.35Å; A212-N214 PolarHBondContact O-N 3.08Å; N214-F216 VanDerWaalsContact C-N 3.34Å; N214-N217 PolarHBondContact O-N 3.21Å; N214-R218 WeakPolarHBondContact O-CG 3.49Å; N214-R218 PolarHBondContact O-N 3.38Å
215	A	93.9	Very high	91.7	Very high	12 Å²	12	56 Å²	56	10%	0.099	29%	0.288	C	S	.	.	H	α-helix	trans	-63	-41.4	173.5	0	0	0	0	0	111.7	E176 A177 S211 A212 R218 F219	E176-A215 HydrophobicContact CB-CB 4.16Å; E176-A215 HydrophobicContact CG-CB 4.34Å; A177-A215 HydrophobicContact CB-CB 4.32Å; S211-A215 PolarHBondContact O-N 3.38Å; A212-A215 WeakPolarHBondContact O-CB 3.02Å; A212-A215 PolarHBondContact O-N 3.21Å; A215-R218 PolarHBondContact O-N 2.75Å; A215-F219 PolarHBondContact O-N 3.14Å
216	F	94.3	Very high	91.3	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.3	-46.4	174.2	-179.9	-110	0	0	0	112	I130 I133 V134 M168 M171 A177 A212 Y213 N214 R218 F219 L220	I130-F216 HydrophobicContact CG1-CZ 4.4Å; I133-F216 HydrophobicContact CB-CE1 4.19Å; I133-F216 HydrophobicContact CB-CZ 4.04Å; I133-F216 HydrophobicContact CD1-CE2 3.94Å; I133-F216 HydrophobicContact CD1-CZ 3.81Å; I133-F216 HydrophobicContact CG2-CD1 3.93Å; I133-F216 HydrophobicContact CG2-CD2 4.39Å; I133-F216 HydrophobicContact CG2-CE1 3.55Å; I133-F216 HydrophobicContact CG2-CE2 4.06Å; I133-F216 HydrophobicContact CG2-CG 4.32Å; I133-F216 HydrophobicContact CG2-CZ 3.63Å; V134-F216 HydrophobicContact CG2-CE1 4.17Å; M168-F216 HydrophobicContact CE-CE2 4.25Å; M168-F216 HydrophobicContact CE-CZ 4.37Å; M168-F216 HydrophobicContact SD-CE2 3.71Å; M168-F216 HydrophobicContact SD-CZ 4.14Å; M171-F216 HydrophobicContact CE-CD2 3.66Å; M171-F216 HydrophobicContact CE-CE2 4.31Å; M171-F216 HydrophobicContact SD-CD2 4.33Å; M171-F216 HydrophobicContact SD-CE2 4.41Å; A177-F216 HydrophobicContact CB-CB 4.28Å; A212-F216 WeakPolarHBondContact O-CB 3.49Å; A212-F216 PolarHBondContact O-N 3.37Å; Y213-F216 WeakPolarHBondContact O-CB 3.33Å; Y213-F216 PolarHBondContact O-N 2.86Å; N214-F216 VanDerWaalsContact C-N 3.34Å; F216-R218 PolarHBondContact O-N 3.45Å; F216-F219 HydrophobicContact CD2-CD1 4.29Å; F216-F219 HydrophobicContact CE2-CD1 4.36Å; F216-F219 WeakPolarHBondContact O-CB 3.12Å; F216-F219 PolarHBondContact O-N 3.1Å; F216-F219 VanDerWaalsContact O-N 3.15Å; F216-L220 HydrophobicContact CD1-CD1 4.09Å; F216-L220 HydrophobicContact CD1-CG 4.48Å; F216-L220 HydrophobicContact CE1-CD1 3.59Å; F216-L220 HydrophobicContact CE1-CG 4.14Å; F216-L220 HydrophobicContact CE2-CD2 4.33Å; F216-L220 HydrophobicContact CE2-CG 4.48Å; F216-L220 HydrophobicContact CZ-CD1 3.96Å; F216-L220 HydrophobicContact CZ-CD2 4.05Å; F216-L220 HydrophobicContact CZ-CG 4.15Å; F216-L220 WeakPolarHBondContact O-CG 3.5Å; F216-L220 PolarHBondContact O-N 3.03Å
217	N	92.9	Very high	90.9	Very high	36 Å²	36	60.5 Å²	60.5	19%	0.193	31%	0.311	C	S	.	.	H	α-helix	trans	-62.5	-41.1	176	-75.9	-30.6	0	0	0	112.6	Y213 N214 F219 L220 H221	Y213-N217 WeakPolarHBondContact CE1-ND2 3.33Å; Y213-N217 VanDerWaalsContact CZ-ND2 3.26Å; Y213-N217 PolarHBondContact O-N 3.38Å; Y213-N217 PolarHBondContact O-ND2 3.5Å; N214-N217 PolarHBondContact O-N 3.21Å; N217-F219 VanDerWaalsContact C-N 3.29Å; N217-F219 PolarHBondContact O-N 3.5Å; N217-L220 PolarHBondContact O-N 2.96Å; N217-H221 PolarHBondContact O-CD2 2.98Å; N217-H221 PolarHBondContact O-N 3.47Å
218	R	91.9	Very high	90.5	Very high	136 Å²	136	56.3 Å²	56.3	51%	0.513	30%	0.295	S	S	.	.	H	α-helix	trans	-58.2	-44.1	173.1	-74.1	-171	-61.4	-92.6	7.4	111.3	E176 N214 A215 F216 L220 H221 S222	E176-R218 IonicContact OE2-NH2 2.88Å; E176-R218 PolarHBondContact OE2-NH2 3.48Å; N214-R218 WeakPolarHBondContact O-CG 3.49Å; N214-R218 PolarHBondContact O-N 3.38Å; A215-R218 PolarHBondContact O-N 2.75Å; F216-R218 PolarHBondContact O-N 3.45Å; R218-L220 PolarHBondContact O-N 2.6Å; R218-H221 PolarHBondContact O-N 2.92Å; R218-S222 WeakPolarHBondContact O-CB 3.38Å; R218-S222 PolarHBondContact O-N 3.08Å; R218-S222 PolarHBondContact O-OG 3.4Å
219	F	89.1	Confident	89.9	Confident	32 Å²	32	58.7 Å²	58.7	14%	0.14	31%	0.308	C	S	.	.	H	α-helix	trans	-58.5	-46.5	175.9	161.4	-104.2	0	0	0	111.8	M168 N170 M171 A215 F216 N217 H221 S222 S223	M168-F219 HydrophobicContact CE-CE1 3.85Å; M168-F219 HydrophobicContact SD-CE1 4.2Å; N170-F219 HydrophobicContact CB-CZ 4.41Å; N170-F219 WeakPolarHBondContact O-CE2 3.32Å; N170-F219 VanDerWaalsContact O-CZ 3.24Å; N170-F219 WeakPolarHBondContact O-CZ 3.48Å; M171-F219 HydrophobicContact CB-CE1 4.26Å; M171-F219 HydrophobicContact CB-CZ 4.19Å; M171-F219 HydrophobicContact CG-CE1 4.28Å; M171-F219 HydrophobicContact CG-CZ 4.46Å; A215-F219 PolarHBondContact O-N 3.14Å; F216-F219 HydrophobicContact CD2-CD1 4.29Å; F216-F219 HydrophobicContact CE2-CD1 4.36Å; F216-F219 WeakPolarHBondContact O-CB 3.12Å; F216-F219 PolarHBondContact O-N 3.1Å; F216-F219 VanDerWaalsContact O-N 3.15Å; N217-F219 VanDerWaalsContact C-N 3.29Å; N217-F219 PolarHBondContact O-N 3.5Å; F219-H221 VanDerWaalsContact C-N 3.3Å; F219-H221 PolarHBondContact O-N 3.16Å; F219-S222 WeakPolarHBondContact CA-OG 3.37Å; F219-S222 PolarHBondContact O-N 3.38Å; F219-S222 VanDerWaalsContact O-N 3.16Å; F219-S222 PolarHBondContact O-OG 3.12Å; F219-S223 VanDerWaalsContact CE2-OG 3.3Å; F219-S223 WeakPolarHBondContact CE2-OG 3.4Å; F219-S223 PolarHBondContact O-N 3.39Å; F219-S223 VanDerWaalsContact O-N 3.09Å; F219-S223 PolarHBondContact O-OG 3.2Å
220	L	88.5	Confident	89.4	Confident	40 Å²	40	62.9 Å²	62.9	21%	0.209	33%	0.33	C	S	.	.	H	α-helix	trans	-61.4	-35.8	177.1	-66.4	-177.6	0	0	0	113.2	I130 M168 F216 N217 R218	I130-L220 HydrophobicContact CD1-CD2 3.74Å; I130-L220 HydrophobicContact CG1-CD2 3.91Å; I130-L220 HydrophobicContact CG2-CD1 3.86Å; M168-L220 HydrophobicContact CE-CD2 3.8Å; F216-L220 HydrophobicContact CD1-CD1 4.09Å; F216-L220 HydrophobicContact CD1-CG 4.48Å; F216-L220 HydrophobicContact CE1-CD1 3.59Å; F216-L220 HydrophobicContact CE1-CG 4.14Å; F216-L220 HydrophobicContact CE2-CD2 4.33Å; F216-L220 HydrophobicContact CE2-CG 4.48Å; F216-L220 HydrophobicContact CZ-CD1 3.96Å; F216-L220 HydrophobicContact CZ-CD2 4.05Å; F216-L220 HydrophobicContact CZ-CG 4.15Å; F216-L220 WeakPolarHBondContact O-CG 3.5Å; F216-L220 PolarHBondContact O-N 3.03Å; N217-L220 PolarHBondContact O-N 2.96Å; R218-L220 PolarHBondContact O-N 2.6Å
221	H	83.7	Confident	88.7	Confident	166 Å²	166	60.1 Å²	60.1	77%	0.769	32%	0.319	S	S	*	.	H	α-helix	trans	-78.6	-20.6	177.4	-69.8	-53.6	0	0	0	113.9	N217 R218 F219	N217-H221 PolarHBondContact O-CD2 2.98Å; N217-H221 PolarHBondContact O-N 3.47Å; R218-H221 PolarHBondContact O-N 2.92Å; F219-H221 VanDerWaalsContact C-N 3.3Å; F219-H221 PolarHBondContact O-N 3.16Å
222	S	75	Confident	88.1	Confident	95 Å²	95	62.8 Å²	62.8	66%	0.664	33%	0.329	S	S	*	.	H	α-helix	trans	-92.3	-9.9	177.5	64.9	0	0	0	0	114.4	R218 F219	R218-S222 WeakPolarHBondContact O-CB 3.38Å; R218-S222 PolarHBondContact O-N 3.08Å; R218-S222 PolarHBondContact O-OG 3.4Å; F219-S222 WeakPolarHBondContact CA-OG 3.37Å; F219-S222 PolarHBondContact O-N 3.38Å; F219-S222 VanDerWaalsContact O-N 3.16Å; F219-S222 PolarHBondContact O-OG 3.12Å
223	S	57.8	Low	87.2	Confident	112 Å²	112	68.5 Å²	68.5	78%	0.783	36%	0.359	S	S	*	.			trans	-92.6	0	179.6	-59	0	0	0	0	111.5	F219	F219-S223 VanDerWaalsContact CE2-OG 3.3Å; F219-S223 WeakPolarHBondContact CE2-OG 3.4Å; F219-S223 PolarHBondContact O-N 3.39Å; F219-S223 VanDerWaalsContact O-N 3.09Å; F219-S223 PolarHBondContact O-OG 3.2Å

Retrieved 223 of 223 residues in 433 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).