A0A096NA70_PAPAN 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 A0A096NA70, Species PAPAN (Papio anubis, Olive baboon), Gene VPS28, Length 221 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.6	Very low	47.8	Very low	225 Å²	225	142.9 Å²	142.9	100%	1.108	85%	0.846	S	S	*	*				0	104.2	0	-70.3	176.4	-169.9	0	0	107.7
2	F	39.9	Very low	48.6	Very low	217 Å²	217	136.2 Å²	136.2	95%	0.952	83%	0.828	S	S	*	*			trans	-113.6	120.8	170.6	-82.1	-82.3	0	0	0	107.3
3	H	44	Very low	49.6	Very low	178 Å²	178	132.6 Å²	132.6	82%	0.824	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-76.4	123.8	179.2	-75.5	71.5	0	0	0	109
4	G	42.7	Very low	50.6	Low	74 Å²	74	132.4 Å²	132.4	76%	0.763	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-68.3	137	175.3	0	0	0	0	0	111.7
5	I	49.4	Very low	52.2	Low	164 Å²	164	127.5 Å²	127.5	84%	0.841	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-66.3	132.6	175.7	-59.8	169.2	0	0	0	108.8
6	P	49.4	Very low	54.1	Low	116 Å²	116	127.4 Å²	127.4	75%	0.753	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-69.8	135.6	176	27.7	-31.8	0	0	0	110.7	T8	P6-T8 PolarHBondContact O-N 3.29Å
7	A	53.2	Low	56.1	Low	99 Å²	99	127.1 Å²	127.1	82%	0.818	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-60.4	128.2	176.7	0	0	0	0	0	111
8	T	54.4	Low	57.9	Low	129 Å²	129	124.6 Å²	124.6	79%	0.791	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-59.4	137.5	170.5	37.1	0	0	0	0	110.7	P6	P6-T8 PolarHBondContact O-N 3.29Å
9	P	49.4	Very low	59.7	Low	124 Å²	124	124 Å²	124	81%	0.805	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-65.1	145.7	-179.5	-8.3	22.7	0	0	0	110.7
10	G	49.3	Very low	61.3	Low	74 Å²	74	124.3 Å²	124.3	76%	0.763	75%	0.754	S	S	*	*			trans	-45.6	132.2	-168.1	0	0	0	0	0	115.6	G12	G10-G12 PolarHBondContact O-N 3.16Å
11	I	52.9	Low	62.8	Low	172 Å²	172	126.9 Å²	126.9	88%	0.882	75%	0.752	S	S	*	*			trans	-60	105.5	153.4	-60.9	170.9	0	0	0	105.4	A13	I11-A13 PolarHBondContact O-N 2.74Å
12	G	56.5	Low	65.3	Low	62 Å²	62	123.5 Å²	123.5	64%	0.639	73%	0.733	S	S	*	*			trans	-51.6	135.5	174.1	0	0	0	0	0	109.8	G10	G10-G12 PolarHBondContact O-N 3.16Å
13	A	62.3	Low	67.9	Low	90 Å²	90	122.1 Å²	122.1	74%	0.744	73%	0.73	S	S	*	*			trans	-49.7	138.8	177.4	0	0	0	0	0	110	I11 G15	I11-A13 PolarHBondContact O-N 2.74Å; A13-G15 PolarHBondContact O-N 3.31Å
14	P	63.7	Low	70.4	Confident	129 Å²	129	120.4 Å²	120.4	84%	0.838	73%	0.731	S	S	*	*			trans	-56.6	115.2	177.2	21.9	-30.5	0	0	0	108.5	N16	P14-N16 PolarHBondContact O-N 2.98Å
15	G	74.3	Confident	73	Confident	60 Å²	60	124.5 Å²	124.5	62%	0.619	73%	0.728	S	S	*	*			trans	-55.7	135.2	179.8	0	0	0	0	0	110.2	A13 K17	A13-G15 PolarHBondContact O-N 3.31Å; G15-K17 PolarHBondContact O-N 3.37Å
16	N	83.5	Confident	75.2	Confident	126 Å²	126	122.1 Å²	122.1	67%	0.674	72%	0.716	S	S	*	*			trans	-58.4	125.6	177.4	-172.8	18.6	0	0	0	109.9	P14 P18 Y21	P14-N16 PolarHBondContact O-N 2.98Å; N16-P18 WeakPolarHBondContact O-CD 3.4Å; N16-Y21 WeakPolarHBondContact OD1-CE2 3.3Å
17	K	88.1	Confident	77.5	Confident	122 Å²	122	121.4 Å²	121.4	53%	0.53	70%	0.699	S	S	.	*			trans	-107.3	84.8	-178.2	-74.1	-172.5	-178.1	-175.7	0	110.3	G15 E19 L20 Y21	G15-K17 PolarHBondContact O-N 3.37Å; K17-E19 WeakPolarHBondContact CA-OE2 3.33Å; K17-E19 WeakPolarHBondContact CB-OE1 3.23Å; K17-E19 PolarHBondContact O-N 3.39Å; K17-L20 HydrophobicContact CB-CD1 3.8Å; K17-L20 HydrophobicContact CB-CG 3.97Å; K17-L20 HydrophobicContact CD-CD1 3.97Å; K17-L20 PolarHBondContact O-N 2.68Å; K17-L20 VanDerWaalsContact O-N 3.16Å; K17-Y21 WeakPolarHBondContact O-CD2 3.39Å; K17-Y21 WeakPolarHBondContact O-CE2 3.27Å
18	P	88.3	Confident	79.5	Confident	82 Å²	82	125.5 Å²	125.5	53%	0.532	70%	0.699	S	S	.	*	G	3₁₀ helix	trans	-59.1	-29.3	-172.8	23.7	-33.9	0	0	0	113.5	N16 L20 Y21	N16-P18 WeakPolarHBondContact O-CD 3.4Å; P18-L20 PolarHBondContact O-N 3.23Å; P18-L20 VanDerWaalsContact O-N 3.14Å; P18-Y21 PolarHBondContact O-N 3.16Å; P18-Y21 VanDerWaalsContact O-N 3.11Å
19	E	91.1	Very high	81.6	Confident	113 Å²	113	122.8 Å²	122.8	53%	0.528	68%	0.68	S	S	.	*	G	3₁₀ helix	trans	-62.5	-19.5	179.2	71	-79.4	-172.8	0	0	114	K17 Y21	K17-E19 WeakPolarHBondContact CA-OE2 3.33Å; K17-E19 WeakPolarHBondContact CB-OE1 3.23Å; K17-E19 PolarHBondContact O-N 3.39Å; E19-Y21 VanDerWaalsContact C-N 3.31Å
20	L	92.1	Very high	83.9	Confident	129 Å²	129	120.2 Å²	120.2	68%	0.675	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-81.7	-10.4	178.6	-60.4	-178.2	0	0	0	113.3	K17 P18	K17-L20 HydrophobicContact CB-CD1 3.8Å; K17-L20 HydrophobicContact CB-CG 3.97Å; K17-L20 HydrophobicContact CD-CD1 3.97Å; K17-L20 PolarHBondContact O-N 2.68Å; K17-L20 VanDerWaalsContact O-N 3.16Å; P18-L20 PolarHBondContact O-N 3.23Å; P18-L20 VanDerWaalsContact O-N 3.14Å
21	Y	93.7	Very high	86.1	Confident	179 Å²	179	127 Å²	127	70%	0.702	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-99.8	0.9	-179.5	-55.5	-84.8	0	0	0	113	N16 K17 P18 E19	N16-Y21 WeakPolarHBondContact OD1-CE2 3.3Å; K17-Y21 WeakPolarHBondContact O-CD2 3.39Å; K17-Y21 WeakPolarHBondContact O-CE2 3.27Å; P18-Y21 PolarHBondContact O-N 3.16Å; P18-Y21 VanDerWaalsContact O-N 3.11Å; E19-Y21 VanDerWaalsContact C-N 3.31Å
22	E	93.7	Very high	88.2	Confident	154 Å²	154	122 Å²	122	72%	0.72	64%	0.644	S	S	*	*	S	Bend	trans	-118.6	138	179.5	-65.5	-173.2	-178.7	0	0	111.6
23	E	94.3	Very high	90.1	Very high	188 Å²	188	125.5 Å²	125.5	88%	0.879	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-72.8	128.9	173.4	-68.7	-176.1	177.1	0	0	111.3
24	V	96.1	Very high	91.8	Very high	142 Å²	142	126.4 Å²	126.4	86%	0.861	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-78.3	130.7	177.4	-175.1	0	0	0	0	110.1
25	K	96.5	Very high	93.3	Very high	160 Å²	160	123.4 Å²	123.4	70%	0.696	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-100.1	140.4	174.1	-61	-175.2	-176	-179.7	0	110.9	Y27	K25-Y27 VanDerWaalsContact C-N 3.32Å; K25-Y27 PolarHBondContact O-N 2.9Å
26	L	96.4	Very high	94.4	Very high	114 Å²	114	124.1 Å²	124.1	60%	0.597	59%	0.585	S	S	*	*	S	Bend	trans	-65	-36.1	179.1	-175.5	61.3	0	0	0	112.4	Y36	L26-Y36 HydrophobicContact CD1-CD1 4.07Å; L26-Y36 HydrophobicContact CD1-CD2 4.36Å; L26-Y36 HydrophobicContact CD1-CE1 3.73Å; L26-Y36 HydrophobicContact CD1-CE2 4.05Å; L26-Y36 HydrophobicContact CD1-CG 4.37Å; L26-Y36 HydrophobicContact CD2-CD1 4.06Å; L26-Y36 HydrophobicContact CD2-CD2 4.22Å; L26-Y36 HydrophobicContact CD2-CG 3.87Å; L26-Y36 HydrophobicContact CG-CD1 4.06Å; L26-Y36 HydrophobicContact CG-CD2 3.75Å; L26-Y36 HydrophobicContact CG-CE1 4.14Å; L26-Y36 HydrophobicContact CG-CE2 3.84Å; L26-Y36 HydrophobicContact CG-CG 3.87Å; L26-Y36 WeakPolarHBondContact O-CE2 3.15Å
27	Y	97.1	Very high	95.1	Very high	101 Å²	101	123.1 Å²	123.1	40%	0.396	58%	0.58	S	S	.	*			trans	-133.9	155.4	177.7	58.8	-99.5	0	0	0	111.2	K25 E32 R33	K25-Y27 VanDerWaalsContact C-N 3.32Å; K25-Y27 PolarHBondContact O-N 2.9Å; Y27-E32 WeakPolarHBondContact CA-OE2 3.42Å; Y27-R33 HydrophobicContact CD1-CB 3.98Å; Y27-R33 HydrophobicContact CD1-CG 3.99Å; Y27-R33 HydrophobicContact CD2-CB 3.81Å; Y27-R33 HydrophobicContact CD2-CG 4.27Å; Y27-R33 HydrophobicContact CE1-CB 4.18Å; Y27-R33 HydrophobicContact CE1-CG 3.71Å; Y27-R33 HydrophobicContact CE2-CB 4.04Å; Y27-R33 HydrophobicContact CE2-CG 4.04Å; Y27-R33 HydrophobicContact CG-CB 3.79Å; Y27-R33 HydrophobicContact CG-CG 4.26Å
28	K	96.5	Very high	95.6	Very high	186 Å²	186	118.9 Å²	118.9	81%	0.809	56%	0.563	S	S	*	*	S	Bend	trans	-119.4	-9.2	177.8	-61.7	-178.2	-178.4	-178.8	0	113.3	E32	K28-E32 PolarHBondContact N-OE2 3.4Å
29	N	97.4	Very high	96.1	Very high	72 Å²	72	115.6 Å²	115.6	39%	0.385	54%	0.541	S	S	.	.	S	Bend	trans	-147.2	169.4	-179.2	59.1	65	0	0	0	112.1	R31 E32 R33	N29-R31 VanDerWaalsContact C-N 3.32Å; N29-R31 PolarHBondContact O-N 3.08Å; N29-R31 PolarHBondContact OD1-N 3.29Å; N29-E32 PolarHBondContact ND2-OE1 3.43Å; N29-E32 PolarHBondContact O-N 2.94Å; N29-E32 WeakPolarHBondContact OD1-CG 3.44Å; N29-E32 PolarHBondContact OD1-N 2.89Å; N29-R33 PolarHBondContact O-N 2.89Å; N29-R33 VanDerWaalsContact O-N 3.08Å
30	A	97.6	Very high	96.4	Very high	69 Å²	69	113 Å²	113	57%	0.57	54%	0.538	S	S	*	.	H	α-helix	trans	-62.2	-36.3	-177	0	0	0	0	0	113.2	R33 E34	A30-R33 PolarHBondContact O-N 3.36Å; A30-E34 PolarHBondContact O-N 2.9Å
31	R	96.1	Very high	96.7	Very high	218 Å²	218	112.2 Å²	112.2	82%	0.823	53%	0.531	S	S	*	.	H	α-helix	trans	-67	-44	179.2	-178.8	-178.7	178.6	-175.5	0.5	111.9	N29 R33 E34 K35	N29-R31 VanDerWaalsContact C-N 3.32Å; N29-R31 PolarHBondContact O-N 3.08Å; N29-R31 PolarHBondContact OD1-N 3.29Å; R31-R33 VanDerWaalsContact C-N 3.33Å; R31-E34 PolarHBondContact O-N 3.02Å; R31-K35 WeakPolarHBondContact O-CB 3.3Å; R31-K35 PolarHBondContact O-N 2.77Å
32	E	96.2	Very high	97	Very high	66 Å²	66	103.7 Å²	103.7	31%	0.308	50%	0.498	S	S	.	.	H	α-helix	trans	-63.8	-40.7	174.9	-77.5	168.8	-158	0	0	111.3	Y27 K28 N29 K35 Y36	Y27-E32 WeakPolarHBondContact CA-OE2 3.42Å; K28-E32 PolarHBondContact N-OE2 3.4Å; N29-E32 PolarHBondContact ND2-OE1 3.43Å; N29-E32 PolarHBondContact O-N 2.94Å; N29-E32 WeakPolarHBondContact OD1-CG 3.44Å; N29-E32 PolarHBondContact OD1-N 2.89Å; E32-K35 WeakPolarHBondContact O-CB 3.37Å; E32-K35 PolarHBondContact O-N 3.14Å; E32-Y36 WeakPolarHBondContact O-CD2 3.47Å; E32-Y36 PolarHBondContact O-N 3.17Å
33	R	97.6	Very high	97.2	Very high	136 Å²	136	99.9 Å²	99.9	51%	0.513	48%	0.479	S	S	.	.	H	α-helix	trans	-58.9	-50.3	176.2	-172.8	176.4	67.5	-168.3	1	111.5	Y27 N29 A30 R31 K35 Y36 D37	Y27-R33 HydrophobicContact CD1-CB 3.98Å; Y27-R33 HydrophobicContact CD1-CG 3.99Å; Y27-R33 HydrophobicContact CD2-CB 3.81Å; Y27-R33 HydrophobicContact CD2-CG 4.27Å; Y27-R33 HydrophobicContact CE1-CB 4.18Å; Y27-R33 HydrophobicContact CE1-CG 3.71Å; Y27-R33 HydrophobicContact CE2-CB 4.04Å; Y27-R33 HydrophobicContact CE2-CG 4.04Å; Y27-R33 HydrophobicContact CG-CB 3.79Å; Y27-R33 HydrophobicContact CG-CG 4.26Å; N29-R33 PolarHBondContact O-N 2.89Å; N29-R33 VanDerWaalsContact O-N 3.08Å; A30-R33 PolarHBondContact O-N 3.36Å; R31-R33 VanDerWaalsContact C-N 3.33Å; R33-K35 VanDerWaalsContact C-N 3.32Å; R33-K35 PolarHBondContact O-N 3.35Å; R33-Y36 PolarHBondContact O-N 3.37Å; R33-D37 WeakPolarHBondContact O-CB 3.49Å; R33-D37 PolarHBondContact O-N 3.34Å
34	E	97.3	Very high	97.4	Very high	108 Å²	108	92.9 Å²	92.9	51%	0.505	45%	0.453	S	S	.	.	H	α-helix	trans	-58.5	-43.3	176.6	-175.7	61.5	-149.5	0	0	111.9	A30 R31 Y36 D37 N38	A30-E34 PolarHBondContact O-N 2.9Å; R31-E34 PolarHBondContact O-N 3.02Å; E34-Y36 PolarHBondContact O-N 2.95Å; E34-D37 PolarHBondContact O-N 2.72Å; E34-N38 PolarHBondContact O-N 2.98Å; E34-N38 PolarHBondContact O-ND2 3.45Å; E34-N38 PolarHBondContact OE1-ND2 3.12Å
35	K	96.1	Very high	97.6	Very high	67 Å²	67	86.4 Å²	86.4	29%	0.291	41%	0.414	S	S	.	.	H	α-helix	trans	-57.5	-48.4	175.9	176.9	-175.6	173.5	-174.6	0	111.5	R31 E32 R33 D37 M39 E88	R31-K35 WeakPolarHBondContact O-CB 3.3Å; R31-K35 PolarHBondContact O-N 2.77Å; E32-K35 WeakPolarHBondContact O-CB 3.37Å; E32-K35 PolarHBondContact O-N 3.14Å; R33-K35 VanDerWaalsContact C-N 3.32Å; R33-K35 PolarHBondContact O-N 3.35Å; K35-D37 VanDerWaalsContact C-N 3.34Å; K35-M39 HydrophobicContact CD-CE 4.22Å; K35-M39 HydrophobicContact CG-CE 3.86Å; K35-M39 HydrophobicContact CG-SD 4.2Å; K35-M39 VanDerWaalsContact O-CG 3.25Å; K35-M39 WeakPolarHBondContact O-CG 3.15Å; K35-M39 PolarHBondContact O-N 3.28Å; K35-E88 IonicContact NZ-OE1 2.74Å; K35-E88 PolarHBondContact NZ-OE1 3.17Å; K35-E88 IonicContact NZ-OE2 2.71Å; K35-E88 PolarHBondContact NZ-OE2 3.41Å
36	Y	97.7	Very high	97.7	Very high	74 Å²	74	78.8 Å²	78.8	29%	0.29	38%	0.381	S	S	.	.	H	α-helix	trans	-70.4	-30.4	-179.9	-74.3	-64.2	0	0	0	113.2	L26 E32 R33 E34 M39 A40	L26-Y36 HydrophobicContact CD1-CD1 4.07Å; L26-Y36 HydrophobicContact CD1-CD2 4.36Å; L26-Y36 HydrophobicContact CD1-CE1 3.73Å; L26-Y36 HydrophobicContact CD1-CE2 4.05Å; L26-Y36 HydrophobicContact CD1-CG 4.37Å; L26-Y36 HydrophobicContact CD2-CD1 4.06Å; L26-Y36 HydrophobicContact CD2-CD2 4.22Å; L26-Y36 HydrophobicContact CD2-CG 3.87Å; L26-Y36 HydrophobicContact CG-CD1 4.06Å; L26-Y36 HydrophobicContact CG-CD2 3.75Å; L26-Y36 HydrophobicContact CG-CE1 4.14Å; L26-Y36 HydrophobicContact CG-CE2 3.84Å; L26-Y36 HydrophobicContact CG-CG 3.87Å; L26-Y36 WeakPolarHBondContact O-CE2 3.15Å; E32-Y36 WeakPolarHBondContact O-CD2 3.47Å; E32-Y36 PolarHBondContact O-N 3.17Å; R33-Y36 PolarHBondContact O-N 3.37Å; E34-Y36 PolarHBondContact O-N 2.95Å; Y36-M39 HydrophobicContact CD1-SD 4.24Å; Y36-M39 HydrophobicContact CE1-SD 4.49Å; Y36-M39 PolarHBondContact O-N 3.02Å; Y36-A40 WeakPolarHBondContact O-CB 3.23Å; Y36-A40 PolarHBondContact O-N 3.41Å
37	D	98.3	Very high	97.8	Very high	106 Å²	106	78.1 Å²	78.1	57%	0.567	37%	0.373	S	S	*	.	H	α-helix	trans	-63	-50	174.2	-161.2	59.3	0	0	0	110.9	R33 E34 K35 M39 A40 E41	R33-D37 WeakPolarHBondContact O-CB 3.49Å; R33-D37 PolarHBondContact O-N 3.34Å; E34-D37 PolarHBondContact O-N 2.72Å; K35-D37 VanDerWaalsContact C-N 3.34Å; D37-M39 VanDerWaalsContact C-N 3.33Å; D37-M39 PolarHBondContact O-N 3.24Å; D37-A40 WeakPolarHBondContact O-CB 3.46Å; D37-A40 PolarHBondContact O-N 3.39Å; D37-A40 VanDerWaalsContact O-N 3.12Å; D37-E41 PolarHBondContact O-N 3.4Å
38	N	98.1	Very high	97.9	Very high	33 Å²	33	76.9 Å²	76.9	18%	0.176	38%	0.376	C	S	.	.	H	α-helix	trans	-61.5	-39.1	174.9	-71.7	-67.4	0	0	0	112.6	E34 E41 L42 Q83 V84	E34-N38 PolarHBondContact O-N 2.98Å; E34-N38 PolarHBondContact O-ND2 3.45Å; E34-N38 PolarHBondContact OE1-ND2 3.12Å; N38-E41 PolarHBondContact O-N 2.59Å; N38-L42 PolarHBondContact O-N 3.29Å; N38-Q83 HydrophobicContact CB-CB 4.27Å; N38-V84 HydrophobicContact CB-CG2 4.05Å; N38-V84 WeakPolarHBondContact O-CG2 3.5Å
39	M	98.4	Very high	98	Very high	13 Å²	13	68 Å²	68	6%	0.064	34%	0.338	C	S	.	.	H	α-helix	trans	-65	-39.2	174.6	-72.5	-179.5	173.2	0	0	112.3	K35 Y36 D37 E41 F43 V84 I89 F95 F99	K35-M39 HydrophobicContact CD-CE 4.22Å; K35-M39 HydrophobicContact CG-CE 3.86Å; K35-M39 HydrophobicContact CG-SD 4.2Å; K35-M39 VanDerWaalsContact O-CG 3.25Å; K35-M39 WeakPolarHBondContact O-CG 3.15Å; K35-M39 PolarHBondContact O-N 3.28Å; Y36-M39 HydrophobicContact CD1-SD 4.24Å; Y36-M39 HydrophobicContact CE1-SD 4.49Å; Y36-M39 PolarHBondContact O-N 3.02Å; D37-M39 VanDerWaalsContact C-N 3.33Å; D37-M39 PolarHBondContact O-N 3.24Å; M39-E41 VanDerWaalsContact C-N 3.34Å; M39-F43 WeakPolarHBondContact O-CB 3.49Å; M39-F43 PolarHBondContact O-N 3.15Å; M39-V84 HydrophobicContact CE-CG1 4.25Å; M39-V84 HydrophobicContact CG-CG1 3.96Å; M39-V84 HydrophobicContact CG-CG2 4.19Å; M39-I89 HydrophobicContact CE-CG1 4.32Å; M39-F95 HydrophobicContact CB-CE2 4.02Å; M39-F95 HydrophobicContact CB-CZ 4.4Å; M39-F95 HydrophobicContact CG-CE2 3.98Å; M39-F95 WeakPolarHBondContact O-CZ 3.41Å; M39-F99 HydrophobicContact SD-CE2 4.15Å; M39-F99 HydrophobicContact SD-CZ 3.81Å
40	A	98.4	Very high	98	Very high	57 Å²	57	65.1 Å²	65.1	47%	0.471	32%	0.322	S	S	.	.	H	α-helix	trans	-64	-41.9	177	0	0	0	0	0	111	Y36 D37 F43 A44	Y36-A40 WeakPolarHBondContact O-CB 3.23Å; Y36-A40 PolarHBondContact O-N 3.41Å; D37-A40 WeakPolarHBondContact O-CB 3.46Å; D37-A40 PolarHBondContact O-N 3.39Å; D37-A40 VanDerWaalsContact O-N 3.12Å; A40-F43 WeakPolarHBondContact O-CB 3.36Å; A40-F43 PolarHBondContact O-N 3.22Å; A40-A44 WeakPolarHBondContact O-CB 3.45Å; A40-A44 PolarHBondContact O-N 2.97Å
41	E	98.4	Very high	98.1	Very high	114 Å²	114	64.8 Å²	64.8	53%	0.533	32%	0.319	S	S	.	.	H	α-helix	trans	-64.7	-46.5	177.7	-166.3	59.8	-151.4	0	0	111.7	D37 N38 M39 F43 A44 V45	D37-E41 PolarHBondContact O-N 3.4Å; N38-E41 PolarHBondContact O-N 2.59Å; M39-E41 VanDerWaalsContact C-N 3.34Å; E41-F43 VanDerWaalsContact C-N 3.32Å; E41-F43 PolarHBondContact O-N 2.81Å; E41-A44 PolarHBondContact O-N 2.83Å; E41-V45 WeakPolarHBondContact O-CG2 3.47Å; E41-V45 PolarHBondContact O-N 3.49Å
42	L	98.6	Very high	98.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57.8	-45.4	174.4	175.3	62.8	0	0	0	111.7	N38 A44 V45 V46 Y77 A80 F81 V84 I92 F95	N38-L42 PolarHBondContact O-N 3.29Å; L42-A44 VanDerWaalsContact C-N 3.32Å; L42-A44 PolarHBondContact O-N 2.78Å; L42-V45 PolarHBondContact O-N 2.92Å; L42-V46 HydrophobicContact CD1-CG2 4.17Å; L42-V46 WeakPolarHBondContact O-CG2 3.29Å; L42-V46 PolarHBondContact O-N 3.4Å; L42-V46 VanDerWaalsContact O-N 3.09Å; L42-Y77 HydrophobicContact CD1-CD2 3.86Å; L42-Y77 HydrophobicContact CD1-CE2 4Å; L42-A80 HydrophobicContact CB-CB 4.17Å; L42-A80 HydrophobicContact CD1-CB 4.18Å; L42-F81 HydrophobicContact CD1-CB 3.98Å; L42-F81 HydrophobicContact CD1-CD2 4.43Å; L42-F81 HydrophobicContact CD2-CD2 3.84Å; L42-V84 HydrophobicContact CB-CG2 4Å; L42-V84 HydrophobicContact CD2-CB 3.91Å; L42-V84 HydrophobicContact CD2-CG1 3.95Å; L42-V84 HydrophobicContact CD2-CG2 3.94Å; L42-I92 HydrophobicContact CD1-CD1 4.23Å; L42-I92 HydrophobicContact CD2-CD1 4.24Å; L42-I92 HydrophobicContact CG-CD1 4.47Å; L42-F95 HydrophobicContact CB-CZ 4.36Å; L42-F95 HydrophobicContact CD2-CD1 3.92Å; L42-F95 HydrophobicContact CD2-CD2 3.87Å; L42-F95 HydrophobicContact CD2-CE1 3.97Å; L42-F95 HydrophobicContact CD2-CE2 3.92Å; L42-F95 HydrophobicContact CD2-CG 3.87Å; L42-F95 HydrophobicContact CD2-CZ 3.98Å; L42-F95 HydrophobicContact CG-CD1 4.34Å; L42-F95 HydrophobicContact CG-CE1 4.05Å; L42-F95 HydrophobicContact CG-CZ 4.21Å
43	F	98.7	Very high	98.3	Very high	74 Å²	74	52.7 Å²	52.7	33%	0.325	27%	0.272	S	S	.	.	H	α-helix	trans	-59	-45.9	177	-173.5	-77.7	0	0	0	111.1	M39 A40 E41 V46 K47 F95 F99 L101	M39-F43 WeakPolarHBondContact O-CB 3.49Å; M39-F43 PolarHBondContact O-N 3.15Å; A40-F43 WeakPolarHBondContact O-CB 3.36Å; A40-F43 PolarHBondContact O-N 3.22Å; E41-F43 VanDerWaalsContact C-N 3.32Å; E41-F43 PolarHBondContact O-N 2.81Å; F43-V46 PolarHBondContact O-N 2.94Å; F43-K47 WeakPolarHBondContact O-CB 3.49Å; F43-K47 PolarHBondContact O-N 3.17Å; F43-F95 HydrophobicContact CB-CE1 4.15Å; F43-F95 HydrophobicContact CB-CZ 4.12Å; F43-F95 HydrophobicContact CD2-CE1 4.31Å; F43-F99 HydrophobicContact CD2-CB 4.27Å; F43-F99 HydrophobicContact CE2-CB 4.22Å; F43-L101 HydrophobicContact CD2-CB 4.36Å; F43-L101 HydrophobicContact CD2-CD1 4.23Å; F43-L101 HydrophobicContact CD2-CD2 3.85Å; F43-L101 HydrophobicContact CD2-CG 4.38Å; F43-L101 HydrophobicContact CE1-CD1 4.12Å; F43-L101 HydrophobicContact CE2-CB 3.98Å; F43-L101 HydrophobicContact CE2-CD1 3.75Å; F43-L101 HydrophobicContact CE2-CD2 4.15Å; F43-L101 HydrophobicContact CE2-CG 4.18Å; F43-L101 HydrophobicContact CG-CD2 4.21Å; F43-L101 HydrophobicContact CZ-CD1 3.7Å
44	A	98.8	Very high	98.4	Very high	40 Å²	40	51.3 Å²	51.3	33%	0.331	27%	0.27	S	S	.	.	H	α-helix	trans	-63.7	-44.8	-179.9	0	0	0	0	0	111.9	A40 E41 L42 K47 T48	A40-A44 WeakPolarHBondContact O-CB 3.45Å; A40-A44 PolarHBondContact O-N 2.97Å; E41-A44 PolarHBondContact O-N 2.83Å; L42-A44 VanDerWaalsContact C-N 3.32Å; L42-A44 PolarHBondContact O-N 2.78Å; A44-K47 PolarHBondContact O-N 3.03Å; A44-T48 VanDerWaalsContact O-CB 3.29Å; A44-T48 WeakPolarHBondContact O-CB 3.4Å; A44-T48 PolarHBondContact O-N 3.15Å; A44-T48 PolarHBondContact O-OG1 3.14Å
45	V	98.7	Very high	98.4	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-60.5	-48.1	177.9	171.5	0	0	0	0	111.1	E41 L42 K47 T48 M49 L73 Q76	E41-V45 WeakPolarHBondContact O-CG2 3.47Å; E41-V45 PolarHBondContact O-N 3.49Å; L42-V45 PolarHBondContact O-N 2.92Å; V45-K47 PolarHBondContact O-N 3.49Å; V45-T48 PolarHBondContact O-N 3.4Å; V45-M49 WeakPolarHBondContact O-CB 3.48Å; V45-M49 PolarHBondContact O-N 3.22Å; V45-L73 HydrophobicContact CG1-CD2 4.32Å; V45-Q76 HydrophobicContact CG1-CB 4.44Å; V45-Q76 HydrophobicContact CG2-CB 4.45Å
46	V	98.7	Very high	98.5	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.9	-42.4	178.8	172.9	0	0	0	0	111.1	L42 F43 T48 M49 Q50 Y77 I92 L101 C103 A106 M107 I110	L42-V46 HydrophobicContact CD1-CG2 4.17Å; L42-V46 WeakPolarHBondContact O-CG2 3.29Å; L42-V46 PolarHBondContact O-N 3.4Å; L42-V46 VanDerWaalsContact O-N 3.09Å; F43-V46 PolarHBondContact O-N 2.94Å; V46-T48 VanDerWaalsContact C-N 3.33Å; V46-T48 PolarHBondContact O-N 3.43Å; V46-M49 PolarHBondContact O-N 3.3Å; V46-Q50 PolarHBondContact O-N 3.49Å; V46-Y77 HydrophobicContact CG2-CD2 4.1Å; V46-Y77 HydrophobicContact CG2-CE2 4.38Å; V46-I92 HydrophobicContact CG2-CD1 4.25Å; V46-L101 HydrophobicContact CB-CD2 3.85Å; V46-L101 HydrophobicContact CG1-CD2 3.6Å; V46-L101 HydrophobicContact CG1-CG 4.2Å; V46-C103 HydrophobicContact CG1-CB 3.97Å; V46-A106 HydrophobicContact CG1-CB 4.18Å; V46-M107 HydrophobicContact CG1-CE 3.48Å; V46-M107 VanDerWaalsContact CG1-CE 3.48Å; V46-M107 HydrophobicContact CG2-CE 4.47Å; V46-I110 HydrophobicContact CG2-CD1 4.28Å
47	K	98.8	Very high	98.6	Very high	100 Å²	100	48.9 Å²	48.9	44%	0.435	27%	0.267	S	S	.	.	H	α-helix	trans	-66.6	-36.7	178	-158.5	75.1	-176.3	179.3	0	112.3	F43 A44 V45 Q50 A51 L101	F43-K47 WeakPolarHBondContact O-CB 3.49Å; F43-K47 PolarHBondContact O-N 3.17Å; A44-K47 PolarHBondContact O-N 3.03Å; V45-K47 PolarHBondContact O-N 3.49Å; K47-Q50 WeakPolarHBondContact O-CB 3.19Å; K47-Q50 PolarHBondContact O-N 3.09Å; K47-A51 PolarHBondContact O-N 3.27Å; K47-L101 HydrophobicContact CD-CD1 3.6Å
48	T	98.8	Very high	98.6	Very high	75 Å²	75	51 Å²	51	46%	0.46	27%	0.271	S	S	.	.	H	α-helix	trans	-66.6	-44.1	176.4	-58.3	0	0	0	0	110.8	A44 V45 V46 Q50 A51 L52 L73	A44-T48 VanDerWaalsContact O-CB 3.29Å; A44-T48 WeakPolarHBondContact O-CB 3.4Å; A44-T48 PolarHBondContact O-N 3.15Å; A44-T48 PolarHBondContact O-OG1 3.14Å; V45-T48 PolarHBondContact O-N 3.4Å; V46-T48 VanDerWaalsContact C-N 3.33Å; V46-T48 PolarHBondContact O-N 3.43Å; T48-Q50 VanDerWaalsContact C-N 3.34Å; T48-Q50 PolarHBondContact O-N 3.28Å; T48-A51 PolarHBondContact O-N 2.91Å; T48-A51 VanDerWaalsContact O-N 3.15Å; T48-L52 PolarHBondContact O-N 2.67Å; T48-L73 HydrophobicContact CG2-CD1 4.13Å; T48-L73 HydrophobicContact CG2-CD2 3.95Å
49	M	98.7	Very high	98.5	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59	-44.8	173.7	-171.1	-178.5	-66.7	0	0	111.4	V45 V46 A51 L52 E53 L73 L74 A106 R109 I110	V45-M49 WeakPolarHBondContact O-CB 3.48Å; V45-M49 PolarHBondContact O-N 3.22Å; V46-M49 PolarHBondContact O-N 3.3Å; M49-A51 VanDerWaalsContact C-N 3.29Å; M49-A51 PolarHBondContact O-N 2.97Å; M49-L52 PolarHBondContact O-N 2.94Å; M49-E53 WeakPolarHBondContact O-CG 3.39Å; M49-E53 PolarHBondContact O-N 2.73Å; M49-L73 HydrophobicContact CB-CD1 4.39Å; M49-L73 HydrophobicContact CE-CB 3.9Å; M49-L74 HydrophobicContact CE-CD2 3.75Å; M49-L74 HydrophobicContact CE-CG 3.93Å; M49-L74 HydrophobicContact SD-CD2 4.23Å; M49-A106 HydrophobicContact CB-CB 4.03Å; M49-A106 HydrophobicContact CG-CB 4Å; M49-A106 HydrophobicContact SD-CB 4.03Å; M49-R109 HydrophobicContact SD-CB 3.96Å; M49-I110 HydrophobicContact CE-CG1 4.3Å; M49-I110 HydrophobicContact SD-CD1 4.24Å; M49-I110 HydrophobicContact SD-CG1 3.93Å
50	Q	98.7	Very high	98.5	Very high	11 Å²	11	59.7 Å²	59.7	5%	0.051	32%	0.324	C	S	.	.	H	α-helix	trans	-59.1	-39.8	175.4	-179.4	64.9	18.5	0	0	112.5	V46 K47 T48 K54 C103 L105 A106	V46-Q50 PolarHBondContact O-N 3.49Å; K47-Q50 WeakPolarHBondContact O-CB 3.19Å; K47-Q50 PolarHBondContact O-N 3.09Å; T48-Q50 VanDerWaalsContact C-N 3.34Å; T48-Q50 PolarHBondContact O-N 3.28Å; Q50-K54 WeakPolarHBondContact O-CG 3.29Å; Q50-K54 PolarHBondContact O-N 2.86Å; Q50-C103 HydrophobicContact CB-CB 3.9Å; Q50-C103 HydrophobicContact CG-CB 3.98Å; Q50-C103 PolarHBondContact OE1-O 2.95Å; Q50-L105 VanDerWaalsContact OE1-CB 3.25Å; Q50-A106 HydrophobicContact CB-CB 4.12Å
51	A	98.8	Very high	98.4	Very high	61 Å²	61	58.8 Å²	58.8	50%	0.504	31%	0.313	S	S	.	.	H	α-helix	trans	-69.2	-40.5	177.4	0	0	0	0	0	111.8	K47 T48 M49 K54 A55	K47-A51 PolarHBondContact O-N 3.27Å; T48-A51 PolarHBondContact O-N 2.91Å; T48-A51 VanDerWaalsContact O-N 3.15Å; M49-A51 VanDerWaalsContact C-N 3.29Å; M49-A51 PolarHBondContact O-N 2.97Å; A51-K54 PolarHBondContact O-N 3.39Å; A51-A55 PolarHBondContact O-N 3.34Å
52	L	98.8	Very high	98.4	Very high	25 Å²	25	55.6 Å²	55.6	13%	0.131	30%	0.303	C	S	.	.	H	α-helix	trans	-61.4	-46.4	175.7	179.6	63.4	0	0	0	111.5	T48 M49 K54 A55 Y56 Y66 A69 C70 L73	T48-L52 PolarHBondContact O-N 2.67Å; M49-L52 PolarHBondContact O-N 2.94Å; L52-K54 VanDerWaalsContact C-N 3.3Å; L52-K54 PolarHBondContact O-N 2.86Å; L52-A55 WeakPolarHBondContact O-CB 3.3Å; L52-A55 PolarHBondContact O-N 3.26Å; L52-A55 VanDerWaalsContact O-N 3.12Å; L52-Y56 PolarHBondContact O-N 3.4Å; L52-Y66 HydrophobicContact CD1-CD2 4.12Å; L52-Y66 HydrophobicContact CD2-CD2 4.23Å; L52-Y66 HydrophobicContact CD2-CE2 4.38Å; L52-Y66 HydrophobicContact CG-CD2 3.88Å; L52-Y66 HydrophobicContact CG-CE2 4.12Å; L52-A69 HydrophobicContact CD1-CB 4.4Å; L52-A69 HydrophobicContact CD2-CB 3.8Å; L52-C70 HydrophobicContact CD2-CB 3.85Å; L52-L73 HydrophobicContact CB-CD1 4.4Å; L52-L73 HydrophobicContact CD2-CD1 3.69Å
53	E	98.5	Very high	98.1	Very high	5 Å²	5	59 Å²	59	2%	0.023	33%	0.325	C	S	.	.	H	α-helix	trans	-57.3	-44.6	175.4	-69.7	-63.3	115.6	0	0	111.3	M49 A55 Y56 I57 Y66 L105 R109	M49-E53 WeakPolarHBondContact O-CG 3.39Å; M49-E53 PolarHBondContact O-N 2.73Å; E53-A55 VanDerWaalsContact C-N 3.35Å; E53-A55 PolarHBondContact O-N 3.47Å; E53-Y56 PolarHBondContact O-N 2.64Å; E53-I57 VanDerWaalsContact O-CG1 3.32Å; E53-I57 WeakPolarHBondContact O-CG1 3.31Å; E53-I57 PolarHBondContact O-N 3.3Å; E53-Y66 WeakPolarHBondContact OE1-CE2 3.15Å; E53-Y66 VanDerWaalsContact OE1-CZ 3.24Å; E53-Y66 PolarHBondContact OE1-OH 3.31Å; E53-L105 HydrophobicContact CB-CB 3.61Å; E53-L105 HydrophobicContact CB-CD1 3.83Å; E53-L105 HydrophobicContact CB-CG 4.36Å; E53-L105 HydrophobicContact CG-CB 3.84Å; E53-R109 HydrophobicContact CG-CG 3.98Å; E53-R109 VanDerWaalsContact OE1-CG 3.32Å; E53-R109 WeakPolarHBondContact OE1-CG 3.43Å; E53-R109 WeakPolarHBondContact OE2-CD 3.48Å; E53-R109 WeakPolarHBondContact OE2-CG 3.36Å; E53-R109 IonicContact OE2-NE 3.13Å
54	K	98.6	Very high	97.7	Very high	108 Å²	108	60 Å²	60	47%	0.47	34%	0.341	S	S	.	.	H	α-helix	trans	-64	-38.1	176.2	-74.2	-177.7	178.1	-175.4	0	112.7	Q50 A51 L52 Y56 K58 L105	Q50-K54 WeakPolarHBondContact O-CG 3.29Å; Q50-K54 PolarHBondContact O-N 2.86Å; A51-K54 PolarHBondContact O-N 3.39Å; L52-K54 VanDerWaalsContact C-N 3.3Å; L52-K54 PolarHBondContact O-N 2.86Å; K54-Y56 VanDerWaalsContact C-N 3.34Å; K54-K58 WeakPolarHBondContact O-CB 3.44Å; K54-K58 VanDerWaalsContact O-CG 3.24Å; K54-K58 WeakPolarHBondContact O-CG 3.45Å; K54-K58 PolarHBondContact O-N 2.96Å; K54-K58 VanDerWaalsContact O-N 3.14Å; K54-L105 HydrophobicContact CG-CD1 3.77Å
55	A	98.6	Very high	97.5	Very high	27 Å²	27	63.9 Å²	63.9	22%	0.223	35%	0.353	C	S	.	.	H	α-helix	trans	-65.4	-40.6	177.2	0	0	0	0	0	111.1	A51 L52 E53 K58 D59 C60 V61	A51-A55 PolarHBondContact O-N 3.34Å; L52-A55 WeakPolarHBondContact O-CB 3.3Å; L52-A55 PolarHBondContact O-N 3.26Å; L52-A55 VanDerWaalsContact O-N 3.12Å; E53-A55 VanDerWaalsContact C-N 3.35Å; E53-A55 PolarHBondContact O-N 3.47Å; A55-K58 CarbonylContact O-C 3.52Å; A55-K58 PolarHBondContact O-N 3.37Å; A55-D59 PolarHBondContact O-N 3.15Å; A55-C60 HydrophobicContact CB-CB 4.32Å; A55-C60 WeakPolarHBondContact O-CB 3.49Å; A55-C60 PolarHBondContact O-N 3.45Å; A55-V61 HydrophobicContact CB-CG1 4.41Å; A55-V61 HydrophobicContact CB-CG2 4.24Å
56	Y	98.4	Very high	97.5	Very high	58 Å²	58	63.6 Å²	63.6	23%	0.227	35%	0.351	C	S	.	.	H	α-helix	trans	-66.3	-44.2	176.2	-172.7	-108.5	0	0	0	112.4	L52 E53 K54 K58 D59 V61 P63 Y66 I116 T117	L52-Y56 PolarHBondContact O-N 3.4Å; E53-Y56 PolarHBondContact O-N 2.64Å; K54-Y56 VanDerWaalsContact C-N 3.34Å; Y56-K58 PolarHBondContact O-N 3.43Å; Y56-D59 PolarHBondContact O-N 2.94Å; Y56-V61 HydrophobicContact CD2-CG2 4.09Å; Y56-P63 HydrophobicContact CE2-CB 4.39Å; Y56-P63 HydrophobicContact CE2-CG 4.32Å; Y56-Y66 HydrophobicContact CD1-CD1 4.35Å; Y56-Y66 HydrophobicContact CD1-CD2 4.37Å; Y56-Y66 HydrophobicContact CD1-CE1 4.34Å; Y56-Y66 HydrophobicContact CD1-CE2 4.33Å; Y56-Y66 HydrophobicContact CD1-CG 4.38Å; Y56-Y66 AromaticContact CD2-CD1 3.9Å; Y56-Y66 HydrophobicContact CD2-CD1 3.9Å; Y56-Y66 AromaticContact CD2-CD2 3.87Å; Y56-Y66 HydrophobicContact CD2-CD2 3.87Å; Y56-Y66 AromaticContact CD2-CG 3.46Å; Y56-Y66 HydrophobicContact CD2-CG 3.46Å; Y56-Y66 VanDerWaalsContact CD2-CG 3.46Å; Y56-Y66 HydrophobicContact CE1-CD1 4.42Å; Y56-Y66 HydrophobicContact CE1-CE1 4.45Å; Y56-Y66 AromaticContact CE2-CD1 3.97Å; Y56-Y66 HydrophobicContact CE2-CD1 3.97Å; Y56-Y66 AromaticContact CE2-CG 3.96Å; Y56-Y66 HydrophobicContact CE2-CG 3.96Å; Y56-Y66 HydrophobicContact CG-CD1 4.1Å; Y56-Y66 AromaticContact CG-CD2 3.66Å; Y56-Y66 HydrophobicContact CG-CD2 3.66Å; Y56-Y66 HydrophobicContact CG-CE1 4.45Å; Y56-Y66 HydrophobicContact CG-CE2 4.02Å; Y56-Y66 AromaticContact CG-CG 3.7Å; Y56-Y66 HydrophobicContact CG-CG 3.7Å; Y56-I116 HydrophobicContact CD1-CG2 3.74Å; Y56-I116 HydrophobicContact CE1-CG2 3.49Å; Y56-I116 VanDerWaalsContact CE1-CG2 3.49Å; Y56-T117 HydrophobicContact CE1-CG2 4.28Å; Y56-T117 HydrophobicContact CE2-CG2 4.34Å; Y56-T117 WeakPolarHBondContact OH-CG2 3.33Å
57	I	98.1	Very high	97.3	Very high	113 Å²	113	65.2 Å²	65.2	58%	0.579	36%	0.361	S	S	*	.	H	α-helix	trans	-58.6	-33.3	174.7	-69.9	166.8	0	0	0	111.9	E53 D59 L105	E53-I57 VanDerWaalsContact O-CG1 3.32Å; E53-I57 WeakPolarHBondContact O-CG1 3.31Å; E53-I57 PolarHBondContact O-N 3.3Å; I57-D59 VanDerWaalsContact C-N 3.26Å; I57-D59 PolarHBondContact O-N 2.92Å; I57-L105 HydrophobicContact CD1-CD1 3.7Å; I57-L105 HydrophobicContact CD1-CD2 4.13Å
58	K	98.3	Very high	96.9	Very high	149 Å²	149	62.6 Å²	62.6	65%	0.648	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	10	178.1	-67.2	177.7	-177.9	-172.6	0	113.4	K54 A55 Y56 C60	K54-K58 WeakPolarHBondContact O-CB 3.44Å; K54-K58 VanDerWaalsContact O-CG 3.24Å; K54-K58 WeakPolarHBondContact O-CG 3.45Å; K54-K58 PolarHBondContact O-N 2.96Å; K54-K58 VanDerWaalsContact O-N 3.14Å; A55-K58 CarbonylContact O-C 3.52Å; A55-K58 PolarHBondContact O-N 3.37Å; Y56-K58 PolarHBondContact O-N 3.43Å; K58-C60 VanDerWaalsContact CB-SG 3.55Å; K58-C60 PolarHBondContact O-N 3.33Å; K58-C60 VanDerWaalsContact O-N 3.15Å; K58-C60 PolarHBondContact O-SG 3.09Å
59	D	96.9	Very high	96.9	Very high	139 Å²	139	60 Å²	60	74%	0.743	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	32.7	179.1	-152.3	24.4	0	0	0	113.4	A55 Y56 I57	A55-D59 PolarHBondContact O-N 3.15Å; Y56-D59 PolarHBondContact O-N 2.94Å; I57-D59 VanDerWaalsContact C-N 3.26Å; I57-D59 PolarHBondContact O-N 2.92Å
60	C	97.7	Very high	96.9	Very high	90 Å²	90	60 Å²	60	61%	0.608	34%	0.344	S	S	*	.			trans	-90.4	-8.9	-178.2	-59.3	0	0	0	0	113.1	A55 K58	A55-C60 HydrophobicContact CB-CB 4.32Å; A55-C60 WeakPolarHBondContact O-CB 3.49Å; A55-C60 PolarHBondContact O-N 3.45Å; K58-C60 VanDerWaalsContact CB-SG 3.55Å; K58-C60 PolarHBondContact O-N 3.33Å; K58-C60 VanDerWaalsContact O-N 3.15Å; K58-C60 PolarHBondContact O-SG 3.09Å
61	V	97.4	Very high	96.6	Very high	38 Å²	38	61.7 Å²	61.7	23%	0.23	36%	0.357	C	S	.	.	S	Bend	trans	-139.7	139	-177.1	-70.9	0	0	0	0	109.1	A55 Y56	A55-V61 HydrophobicContact CB-CG1 4.41Å; A55-V61 HydrophobicContact CB-CG2 4.24Å; Y56-V61 HydrophobicContact CD2-CG2 4.09Å
62	S	97.1	Very high	96.5	Very high	47 Å²	47	65.8 Å²	65.8	33%	0.329	36%	0.359	S	S	.	.			trans	-68.5	156.4	-179.2	69.7	0	0	0	0	111.8	S64 E65 Y66	S62-S64 VanDerWaalsContact C-N 3.26Å; S62-S64 PolarHBondContact O-N 3.44Å; S62-E65 WeakPolarHBondContact CB-OE2 3.42Å; S62-E65 PolarHBondContact N-OE2 3.07Å; S62-E65 PolarHBondContact O-N 3.41Å; S62-E65 WeakPolarHBondContact OG-CB 3.24Å; S62-E65 VanDerWaalsContact OG-CG 3.29Å; S62-E65 WeakPolarHBondContact OG-CG 3.44Å; S62-E65 PolarHBondContact OG-N 3.37Å; S62-E65 PolarHBondContact OG-OE2 3.28Å; S62-Y66 VanDerWaalsContact O-CB 3.3Å; S62-Y66 WeakPolarHBondContact O-CB 3.36Å; S62-Y66 PolarHBondContact O-N 3Å
63	P	93.6	Very high	96.5	Very high	71 Å²	71	65.4 Å²	65.4	46%	0.461	36%	0.357	S	S	.	.	H	α-helix	trans	-56.5	-37.1	177.1	-27.2	35.1	0	0	0	114.1	Y56 T67 T117	Y56-P63 HydrophobicContact CE2-CB 4.39Å; Y56-P63 HydrophobicContact CE2-CG 4.32Å; P63-T67 VanDerWaalsContact O-CB 3.3Å; P63-T67 WeakPolarHBondContact O-CB 3.31Å; P63-T67 PolarHBondContact O-N 2.82Å; P63-T67 PolarHBondContact O-OG1 2.94Å; P63-T117 HydrophobicContact CB-CG2 4.38Å
64	S	90.4	Very high	96.4	Very high	95 Å²	95	65.4 Å²	65.4	66%	0.664	36%	0.358	S	S	*	.	H	α-helix	trans	-67.4	-49.6	179.9	-176.4	0	0	0	0	111.7	S62 T67 A68	S62-S64 VanDerWaalsContact C-N 3.26Å; S62-S64 PolarHBondContact O-N 3.44Å; S64-T67 PolarHBondContact O-N 3.24Å; S64-A68 PolarHBondContact O-N 2.98Å; S64-A68 VanDerWaalsContact O-N 3.09Å
65	E	94.9	Very high	96.3	Very high	123 Å²	123	64.7 Å²	64.7	58%	0.575	36%	0.362	S	S	*	.	H	α-helix	trans	-64.1	-44.5	179	-69.3	168.9	132.3	0	0	111.6	S62 A68 A69	S62-E65 WeakPolarHBondContact CB-OE2 3.42Å; S62-E65 PolarHBondContact N-OE2 3.07Å; S62-E65 PolarHBondContact O-N 3.41Å; S62-E65 WeakPolarHBondContact OG-CB 3.24Å; S62-E65 VanDerWaalsContact OG-CG 3.29Å; S62-E65 WeakPolarHBondContact OG-CG 3.44Å; S62-E65 PolarHBondContact OG-N 3.37Å; S62-E65 PolarHBondContact OG-OE2 3.28Å; E65-A68 PolarHBondContact O-N 3.34Å; E65-A69 VanDerWaalsContact O-CB 3.28Å; E65-A69 WeakPolarHBondContact O-CB 3.37Å; E65-A69 PolarHBondContact O-N 3.39Å
66	Y	98.3	Very high	96.2	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-56.7	-51.7	175.4	164.4	-96.7	0	0	0	111.2	L52 E53 Y56 S62 A68 A69 C70 P115 I116 T117	L52-Y66 HydrophobicContact CD1-CD2 4.12Å; L52-Y66 HydrophobicContact CD2-CD2 4.23Å; L52-Y66 HydrophobicContact CD2-CE2 4.38Å; L52-Y66 HydrophobicContact CG-CD2 3.88Å; L52-Y66 HydrophobicContact CG-CE2 4.12Å; E53-Y66 WeakPolarHBondContact OE1-CE2 3.15Å; E53-Y66 VanDerWaalsContact OE1-CZ 3.24Å; E53-Y66 PolarHBondContact OE1-OH 3.31Å; Y56-Y66 HydrophobicContact CD1-CD1 4.35Å; Y56-Y66 HydrophobicContact CD1-CD2 4.37Å; Y56-Y66 HydrophobicContact CD1-CE1 4.34Å; Y56-Y66 HydrophobicContact CD1-CE2 4.33Å; Y56-Y66 HydrophobicContact CD1-CG 4.38Å; Y56-Y66 AromaticContact CD2-CD1 3.9Å; Y56-Y66 HydrophobicContact CD2-CD1 3.9Å; Y56-Y66 AromaticContact CD2-CD2 3.87Å; Y56-Y66 HydrophobicContact CD2-CD2 3.87Å; Y56-Y66 AromaticContact CD2-CG 3.46Å; Y56-Y66 HydrophobicContact CD2-CG 3.46Å; Y56-Y66 VanDerWaalsContact CD2-CG 3.46Å; Y56-Y66 HydrophobicContact CE1-CD1 4.42Å; Y56-Y66 HydrophobicContact CE1-CE1 4.45Å; Y56-Y66 AromaticContact CE2-CD1 3.97Å; Y56-Y66 HydrophobicContact CE2-CD1 3.97Å; Y56-Y66 AromaticContact CE2-CG 3.96Å; Y56-Y66 HydrophobicContact CE2-CG 3.96Å; Y56-Y66 HydrophobicContact CG-CD1 4.1Å; Y56-Y66 AromaticContact CG-CD2 3.66Å; Y56-Y66 HydrophobicContact CG-CD2 3.66Å; Y56-Y66 HydrophobicContact CG-CE1 4.45Å; Y56-Y66 HydrophobicContact CG-CE2 4.02Å; Y56-Y66 AromaticContact CG-CG 3.7Å; Y56-Y66 HydrophobicContact CG-CG 3.7Å; S62-Y66 VanDerWaalsContact O-CB 3.3Å; S62-Y66 WeakPolarHBondContact O-CB 3.36Å; S62-Y66 PolarHBondContact O-N 3Å; Y66-A68 VanDerWaalsContact C-N 3.33Å; Y66-A68 PolarHBondContact O-N 3.14Å; Y66-A69 PolarHBondContact O-N 3.39Å; Y66-C70 HydrophobicContact CD2-CB 4.49Å; Y66-C70 HydrophobicContact CE1-CB 4.43Å; Y66-C70 HydrophobicContact CE2-CB 4.05Å; Y66-C70 VanDerWaalsContact O-CB 3.24Å; Y66-C70 WeakPolarHBondContact O-CB 3.44Å; Y66-C70 PolarHBondContact O-N 2.98Å; Y66-P115 HydrophobicContact CE1-CB 3.69Å; Y66-I116 HydrophobicContact CE1-CG2 3.71Å; Y66-I116 WeakPolarHBondContact OH-CG2 3.38Å; Y66-I116 PolarHBondContact OH-N 3.46Å; Y66-T117 HydrophobicContact CD1-CG2 3.77Å; Y66-T117 HydrophobicContact CE1-CG2 3.93Å
67	T	93.1	Very high	96.3	Very high	34 Å²	34	66.3 Å²	66.3	21%	0.209	37%	0.366	C	S	.	.	H	α-helix	trans	-60	-46	-176.5	-57	0	0	0	0	110.5	P63 S64 S71 P115 T117 I118	P63-T67 VanDerWaalsContact O-CB 3.3Å; P63-T67 WeakPolarHBondContact O-CB 3.31Å; P63-T67 PolarHBondContact O-N 2.82Å; P63-T67 PolarHBondContact O-OG1 2.94Å; S64-T67 PolarHBondContact O-N 3.24Å; T67-S71 WeakPolarHBondContact O-CB 3.28Å; T67-S71 PolarHBondContact O-N 2.63Å; T67-S71 PolarHBondContact O-OG 3.36Å; T67-P115 HydrophobicContact CG2-CB 4.35Å; T67-P115 HydrophobicContact CG2-CG 4.11Å; T67-T117 WeakPolarHBondContact OG1-CB 3.22Å; T67-T117 PolarHBondContact OG1-OG1 3Å; T67-I118 HydrophobicContact CG2-CD1 4.27Å; T67-I118 HydrophobicContact CG2-CG1 4.34Å
68	A	91.3	Very high	96.2	Very high	45 Å²	45	65.1 Å²	65.1	37%	0.372	36%	0.357	S	S	.	.	H	α-helix	trans	-64.6	-42.5	178.5	0	0	0	0	0	112.4	S64 E65 Y66 R72	S64-A68 PolarHBondContact O-N 2.98Å; S64-A68 VanDerWaalsContact O-N 3.09Å; E65-A68 PolarHBondContact O-N 3.34Å; Y66-A68 VanDerWaalsContact C-N 3.33Å; Y66-A68 PolarHBondContact O-N 3.14Å; A68-R72 WeakPolarHBondContact O-CG 3.49Å; A68-R72 PolarHBondContact O-N 2.99Å; A68-R72 PolarHBondContact O-NH1 3.48Å
69	A	98.1	Very high	96.1	Very high	22 Å²	22	60.6 Å²	60.6	18%	0.182	35%	0.348	C	S	.	.	H	α-helix	trans	-68.6	-44.3	179.3	0	0	0	0	0	112.5	L52 E65 Y66 R72 L73	L52-A69 HydrophobicContact CD1-CB 4.4Å; L52-A69 HydrophobicContact CD2-CB 3.8Å; E65-A69 VanDerWaalsContact O-CB 3.28Å; E65-A69 WeakPolarHBondContact O-CB 3.37Å; E65-A69 PolarHBondContact O-N 3.39Å; Y66-A69 PolarHBondContact O-N 3.39Å; A69-R72 PolarHBondContact O-N 2.78Å; A69-L73 WeakPolarHBondContact O-CG 3.42Å; A69-L73 PolarHBondContact O-N 3.15Å
70	C	98.4	Very high	96.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64.7	-43.6	179.6	-172.6	0	0	0	0	111	L52 Y66 R72 L73 L74 P115	L52-C70 HydrophobicContact CD2-CB 3.85Å; Y66-C70 HydrophobicContact CD2-CB 4.49Å; Y66-C70 HydrophobicContact CE1-CB 4.43Å; Y66-C70 HydrophobicContact CE2-CB 4.05Å; Y66-C70 VanDerWaalsContact O-CB 3.24Å; Y66-C70 WeakPolarHBondContact O-CB 3.44Å; Y66-C70 PolarHBondContact O-N 2.98Å; C70-R72 VanDerWaalsContact C-N 3.33Å; C70-R72 PolarHBondContact O-N 3.23Å; C70-L73 PolarHBondContact O-N 3.35Å; C70-L74 WeakPolarHBondContact O-CG 3.37Å; C70-L74 PolarHBondContact O-N 3.49Å; C70-P115 HydrophobicContact CB-CB 3.97Å; C70-P115 HydrophobicContact CB-CG 3.91Å
71	S	92.9	Very high	96.2	Very high	45 Å²	45	51.5 Å²	51.5	32%	0.315	29%	0.293	S	S	.	.	H	α-helix	trans	-58.6	-41.2	174.1	-67.1	0	0	0	0	112.8	T67 L74 V75 P115	T67-S71 WeakPolarHBondContact O-CB 3.28Å; T67-S71 PolarHBondContact O-N 2.63Å; T67-S71 PolarHBondContact O-OG 3.36Å; S71-L74 PolarHBondContact O-N 3.4Å; S71-V75 WeakPolarHBondContact O-CG2 3.41Å; S71-V75 PolarHBondContact O-N 2.7Å; S71-P115 WeakPolarHBondContact OG-CG 3.42Å
72	R	96.5	Very high	96.1	Very high	147 Å²	147	58.8 Å²	58.8	56%	0.555	32%	0.317	S	S	*	.	H	α-helix	trans	-64.9	-45	174.7	-72.9	-169.7	-57.8	-90.2	3	112.1	A68 A69 C70 L74 V75 Q76	A68-R72 WeakPolarHBondContact O-CG 3.49Å; A68-R72 PolarHBondContact O-N 2.99Å; A68-R72 PolarHBondContact O-NH1 3.48Å; A69-R72 PolarHBondContact O-N 2.78Å; C70-R72 VanDerWaalsContact C-N 3.33Å; C70-R72 PolarHBondContact O-N 3.23Å; R72-L74 VanDerWaalsContact C-N 3.31Å; R72-L74 PolarHBondContact O-N 3.23Å; R72-V75 PolarHBondContact O-N 3.38Å; R72-Q76 WeakPolarHBondContact O-CG 3.47Å; R72-Q76 PolarHBondContact O-N 3.04Å
73	L	98.6	Very high	96.1	Very high	18 Å²	18	62.9 Å²	62.9	9%	0.094	33%	0.331	C	S	.	.	H	α-helix	trans	-63.2	-35.6	178.4	-75.8	167.9	0	0	0	112.3	V45 T48 M49 L52 A69 C70 Q76 Y77	V45-L73 HydrophobicContact CG1-CD2 4.32Å; T48-L73 HydrophobicContact CG2-CD1 4.13Å; T48-L73 HydrophobicContact CG2-CD2 3.95Å; M49-L73 HydrophobicContact CB-CD1 4.39Å; M49-L73 HydrophobicContact CE-CB 3.9Å; L52-L73 HydrophobicContact CB-CD1 4.4Å; L52-L73 HydrophobicContact CD2-CD1 3.69Å; A69-L73 WeakPolarHBondContact O-CG 3.42Å; A69-L73 PolarHBondContact O-N 3.15Å; C70-L73 PolarHBondContact O-N 3.35Å; L73-Q76 PolarHBondContact O-N 3.05Å; L73-Y77 WeakPolarHBondContact O-CB 3.26Å; L73-Y77 PolarHBondContact O-N 3.12Å
74	L	97.7	Very high	96.2	Very high	5 Å²	5	60.3 Å²	60.3	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-65.3	-41	174.8	-76.2	165.3	0	0	0	112.1	M49 C70 S71 R72 Y77 K78 R109 I110	M49-L74 HydrophobicContact CE-CD2 3.75Å; M49-L74 HydrophobicContact CE-CG 3.93Å; M49-L74 HydrophobicContact SD-CD2 4.23Å; C70-L74 WeakPolarHBondContact O-CG 3.37Å; C70-L74 PolarHBondContact O-N 3.49Å; S71-L74 PolarHBondContact O-N 3.4Å; R72-L74 VanDerWaalsContact C-N 3.31Å; R72-L74 PolarHBondContact O-N 3.23Å; L74-Y77 PolarHBondContact O-N 3.32Å; L74-K78 WeakPolarHBondContact O-CG 3.45Å; L74-K78 PolarHBondContact O-N 3.38Å; L74-K78 VanDerWaalsContact O-N 3.08Å; L74-R109 HydrophobicContact CD2-CB 4.45Å; L74-I110 HydrophobicContact CD2-CG1 4.37Å
75	V	96.4	Very high	96.4	Very high	92 Å²	92	60.9 Å²	60.9	56%	0.558	31%	0.306	S	S	*	.	H	α-helix	trans	-64.8	-46.2	174.2	173.8	0	0	0	0	111.1	S71 R72 Y77 K78 A79	S71-V75 WeakPolarHBondContact O-CG2 3.41Å; S71-V75 PolarHBondContact O-N 2.7Å; R72-V75 PolarHBondContact O-N 3.38Å; V75-Y77 VanDerWaalsContact C-N 3.33Å; V75-Y77 PolarHBondContact O-N 2.95Å; V75-K78 PolarHBondContact O-N 3.28Å; V75-A79 PolarHBondContact O-N 2.95Å
76	Q	97.1	Very high	96.3	Very high	100 Å²	100	56.9 Å²	56.9	47%	0.467	30%	0.297	S	S	.	.	H	α-helix	trans	-61.4	-41.9	176.5	-72	170.8	-20	0	0	111.7	V45 R72 L73 K78 A79 A80	V45-Q76 HydrophobicContact CG1-CB 4.44Å; V45-Q76 HydrophobicContact CG2-CB 4.45Å; R72-Q76 WeakPolarHBondContact O-CG 3.47Å; R72-Q76 PolarHBondContact O-N 3.04Å; L73-Q76 PolarHBondContact O-N 3.05Å; Q76-K78 PolarHBondContact O-N 3.19Å; Q76-A79 PolarHBondContact O-N 2.91Å; Q76-A80 WeakPolarHBondContact O-CB 3.5Å; Q76-A80 PolarHBondContact O-N 3.46Å
77	Y	98.6	Very high	95.7	Very high	19 Å²	19	62.9 Å²	62.9	8%	0.075	34%	0.339	C	S	.	.	H	α-helix	trans	-56.7	-48.6	174.9	159.9	-100.3	0	0	0	111.3	L42 V46 L73 L74 V75 A79 A80 F81 I92 I110	L42-Y77 HydrophobicContact CD1-CD2 3.86Å; L42-Y77 HydrophobicContact CD1-CE2 4Å; V46-Y77 HydrophobicContact CG2-CD2 4.1Å; V46-Y77 HydrophobicContact CG2-CE2 4.38Å; L73-Y77 WeakPolarHBondContact O-CB 3.26Å; L73-Y77 PolarHBondContact O-N 3.12Å; L74-Y77 PolarHBondContact O-N 3.32Å; V75-Y77 VanDerWaalsContact C-N 3.33Å; V75-Y77 PolarHBondContact O-N 2.95Å; Y77-A79 VanDerWaalsContact C-N 3.29Å; Y77-A79 PolarHBondContact O-N 3.15Å; Y77-A80 PolarHBondContact O-N 3.31Å; Y77-F81 HydrophobicContact CD2-CB 4.49Å; Y77-F81 HydrophobicContact CE2-CB 4.02Å; Y77-F81 HydrophobicContact CE2-CG 4.42Å; Y77-F81 VanDerWaalsContact O-CB 3.3Å; Y77-F81 WeakPolarHBondContact O-CB 3.3Å; Y77-F81 PolarHBondContact O-N 3.49Å; Y77-I92 HydrophobicContact CE2-CD1 3.83Å; Y77-I92 HydrophobicContact CE2-CG1 3.91Å; Y77-I92 WeakPolarHBondContact OH-CB 3.42Å; Y77-I110 HydrophobicContact CD1-CD1 4.29Å; Y77-I110 HydrophobicContact CD1-CG1 3.84Å; Y77-I110 HydrophobicContact CD1-CG2 4.33Å; Y77-I110 HydrophobicContact CD2-CD1 3.69Å; Y77-I110 HydrophobicContact CD2-CG1 4.17Å; Y77-I110 HydrophobicContact CE1-CB 4.19Å; Y77-I110 HydrophobicContact CE1-CD1 4.18Å; Y77-I110 HydrophobicContact CE1-CG1 3.8Å; Y77-I110 HydrophobicContact CE1-CG2 3.46Å; Y77-I110 VanDerWaalsContact CE1-CG2 3.46Å; Y77-I110 HydrophobicContact CE2-CD1 3.55Å; Y77-I110 HydrophobicContact CE2-CG1 4.11Å; Y77-I110 HydrophobicContact CE2-CG2 4.32Å; Y77-I110 HydrophobicContact CG-CD1 4.06Å; Y77-I110 HydrophobicContact CG-CG1 4.03Å; Y77-I110 VanDerWaalsContact CZ-CG2 3.45Å; Y77-I110 VanDerWaalsContact OH-CG2 3.31Å; Y77-I110 WeakPolarHBondContact OH-CG2 3.19Å
78	K	96.6	Very high	95.6	Very high	88 Å²	88	66.4 Å²	66.4	38%	0.383	35%	0.354	S	S	.	.	H	α-helix	trans	-59.8	-40.8	179.4	-75.5	-176.9	-72.2	-149.6	0	112	L74 V75 Q76 R82 D113	L74-K78 WeakPolarHBondContact O-CG 3.45Å; L74-K78 PolarHBondContact O-N 3.38Å; L74-K78 VanDerWaalsContact O-N 3.08Å; V75-K78 PolarHBondContact O-N 3.28Å; Q76-K78 PolarHBondContact O-N 3.19Å; K78-R82 WeakPolarHBondContact O-CB 3.28Å; K78-R82 PolarHBondContact O-N 2.54Å; K78-R82 VanDerWaalsContact O-N 3.15Å; K78-D113 IonicContact NZ-OD1 3.82Å; K78-D113 PolarHBondContact NZ-OD1 3.03Å; K78-D113 IonicContact NZ-OD2 3.9Å; K78-D113 PolarHBondContact NZ-OD2 3.03Å
79	A	96.7	Very high	95.7	Very high	55 Å²	55	64.4 Å²	64.4	46%	0.455	34%	0.337	S	S	.	.	H	α-helix	trans	-67.3	-49.6	175.9	0	0	0	0	0	111.9	V75 Q76 Y77 F81 R82 Q83	V75-A79 PolarHBondContact O-N 2.95Å; Q76-A79 PolarHBondContact O-N 2.91Å; Y77-A79 VanDerWaalsContact C-N 3.29Å; Y77-A79 PolarHBondContact O-N 3.15Å; A79-F81 PolarHBondContact O-N 3.38Å; A79-R82 PolarHBondContact O-N 2.73Å; A79-Q83 WeakPolarHBondContact O-CG 3.49Å; A79-Q83 PolarHBondContact O-N 3.33Å
80	A	98	Very high	95.5	Very high	12 Å²	12	66.2 Å²	66.2	10%	0.099	35%	0.348	C	S	.	.	H	α-helix	trans	-61.4	-43.9	179.9	0	0	0	0	0	111.9	L42 Q76 Y77 R82 Q83 V84	L42-A80 HydrophobicContact CB-CB 4.17Å; L42-A80 HydrophobicContact CD1-CB 4.18Å; Q76-A80 WeakPolarHBondContact O-CB 3.5Å; Q76-A80 PolarHBondContact O-N 3.46Å; Y77-A80 PolarHBondContact O-N 3.31Å; A80-R82 VanDerWaalsContact C-N 3.35Å; A80-R82 PolarHBondContact O-N 2.95Å; A80-Q83 PolarHBondContact O-N 2.98Å; A80-V84 WeakPolarHBondContact O-CG2 3.48Å; A80-V84 PolarHBondContact O-N 3.49Å
81	F	98.1	Very high	95.4	Very high	25 Å²	25	69 Å²	69	11%	0.11	37%	0.365	C	S	.	.	H	α-helix	trans	-64.6	-39.8	178	-175.6	-112.1	0	0	0	111.5	L42 Y77 A79 Q83 V84 Q85 I89 T91 I92	L42-F81 HydrophobicContact CD1-CB 3.98Å; L42-F81 HydrophobicContact CD1-CD2 4.43Å; L42-F81 HydrophobicContact CD2-CD2 3.84Å; Y77-F81 HydrophobicContact CD2-CB 4.49Å; Y77-F81 HydrophobicContact CE2-CB 4.02Å; Y77-F81 HydrophobicContact CE2-CG 4.42Å; Y77-F81 VanDerWaalsContact O-CB 3.3Å; Y77-F81 WeakPolarHBondContact O-CB 3.3Å; Y77-F81 PolarHBondContact O-N 3.49Å; A79-F81 PolarHBondContact O-N 3.38Å; F81-Q83 VanDerWaalsContact C-N 3.27Å; F81-Q83 PolarHBondContact O-N 3.5Å; F81-V84 PolarHBondContact O-N 2.94Å; F81-V84 VanDerWaalsContact O-N 3.1Å; F81-Q85 HydrophobicContact CE1-CB 4.35Å; F81-Q85 HydrophobicContact CE1-CG 4.32Å; F81-Q85 HydrophobicContact CZ-CB 4.4Å; F81-Q85 HydrophobicContact CZ-CG 4.34Å; F81-Q85 VanDerWaalsContact O-CB 3.32Å; F81-Q85 WeakPolarHBondContact O-CB 3.22Å; F81-Q85 PolarHBondContact O-N 3.07Å; F81-I89 HydrophobicContact CE2-CG2 4.32Å; F81-T91 VanDerWaalsContact CZ-C 3.49Å; F81-I92 HydrophobicContact CD2-CB 4.41Å; F81-I92 HydrophobicContact CD2-CD1 4.16Å; F81-I92 HydrophobicContact CE2-CB 4.15Å; F81-I92 HydrophobicContact CE2-CD1 4.46Å
82	R	96.9	Very high	95.6	Very high	192 Å²	192	67.7 Å²	67.7	73%	0.725	35%	0.354	S	S	*	.	H	α-helix	trans	-60.4	-34.6	175.5	-173.8	-179.2	-68.2	169.5	-2.2	112.8	K78 A79 A80	K78-R82 WeakPolarHBondContact O-CB 3.28Å; K78-R82 PolarHBondContact O-N 2.54Å; K78-R82 VanDerWaalsContact O-N 3.15Å; A79-R82 PolarHBondContact O-N 2.73Å; A80-R82 VanDerWaalsContact C-N 3.35Å; A80-R82 PolarHBondContact O-N 2.95Å
83	Q	95.6	Very high	95.6	Very high	133 Å²	133	65.9 Å²	65.9	62%	0.621	36%	0.355	S	S	*	.	H	α-helix	trans	-72.1	-29.4	176	-61.9	-62.1	-3.8	0	0	113	N38 A79 A80 F81	N38-Q83 HydrophobicContact CB-CB 4.27Å; A79-Q83 WeakPolarHBondContact O-CG 3.49Å; A79-Q83 PolarHBondContact O-N 3.33Å; A80-Q83 PolarHBondContact O-N 2.98Å; F81-Q83 VanDerWaalsContact C-N 3.27Å; F81-Q83 PolarHBondContact O-N 3.5Å
84	V	97.1	Very high	95.5	Very high	16 Å²	16	68.2 Å²	68.2	10%	0.097	37%	0.366	C	S	.	.	H	α-helix	trans	-88.6	-27	-179.6	176.1	0	0	0	0	112.3	N38 M39 L42 A80 F81 G86 I89 F95	N38-V84 HydrophobicContact CB-CG2 4.05Å; N38-V84 WeakPolarHBondContact O-CG2 3.5Å; M39-V84 HydrophobicContact CE-CG1 4.25Å; M39-V84 HydrophobicContact CG-CG1 3.96Å; M39-V84 HydrophobicContact CG-CG2 4.19Å; L42-V84 HydrophobicContact CB-CG2 4Å; L42-V84 HydrophobicContact CD2-CB 3.91Å; L42-V84 HydrophobicContact CD2-CG1 3.95Å; L42-V84 HydrophobicContact CD2-CG2 3.94Å; A80-V84 WeakPolarHBondContact O-CG2 3.48Å; A80-V84 PolarHBondContact O-N 3.49Å; F81-V84 PolarHBondContact O-N 2.94Å; F81-V84 VanDerWaalsContact O-N 3.1Å; V84-G86 PolarHBondContact O-N 3.4Å; V84-I89 HydrophobicContact CG1-CB 4.41Å; V84-I89 HydrophobicContact CG1-CG2 4.21Å; V84-F95 HydrophobicContact CG1-CD2 3.98Å; V84-F95 HydrophobicContact CG1-CE2 4.1Å
85	Q	94.2	Very high	95.5	Very high	108 Å²	108	68.1 Å²	68.1	51%	0.505	37%	0.365	S	S	.	.			trans	-62.2	129.1	-175.6	-170.4	176.7	39.7	0	0	111.1	F81 I89 S90	F81-Q85 HydrophobicContact CE1-CB 4.35Å; F81-Q85 HydrophobicContact CE1-CG 4.32Å; F81-Q85 HydrophobicContact CZ-CB 4.4Å; F81-Q85 HydrophobicContact CZ-CG 4.34Å; F81-Q85 VanDerWaalsContact O-CB 3.32Å; F81-Q85 WeakPolarHBondContact O-CB 3.22Å; F81-Q85 PolarHBondContact O-N 3.07Å; Q85-I89 WeakPolarHBondContact CA-O 3.36Å; Q85-S90 PolarHBondContact NE2-O 3.43Å
86	G	91.6	Very high	95.5	Very high	39 Å²	39	64.4 Å²	64.4	40%	0.402	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-177.3	-162.4	-178.7	0	0	0	0	0	111.8	V84 E88 I89	V84-G86 PolarHBondContact O-N 3.4Å; G86-E88 PolarHBondContact O-N 3.3Å; G86-I89 PolarHBondContact N-O 3.43Å; G86-I89 CarbonylContact O-C 3.31Å; G86-I89 VanDerWaalsContact O-C 3.31Å; G86-I89 PolarHBondContact O-N 3.44Å
87	S	86.5	Confident	95.6	Very high	126 Å²	126	69.1 Å²	69.1	88%	0.881	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-26.8	-176.3	53.5	0	0	0	0	114.5
88	E	89.9	Confident	95.5	Very high	108 Å²	108	73.3 Å²	73.3	51%	0.505	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-22.7	179.8	-73.3	-176	-143	0	0	114.4	K35 G86 K98	K35-E88 IonicContact NZ-OE1 2.74Å; K35-E88 PolarHBondContact NZ-OE1 3.17Å; K35-E88 IonicContact NZ-OE2 2.71Å; K35-E88 PolarHBondContact NZ-OE2 3.41Å; G86-E88 PolarHBondContact O-N 3.3Å; E88-K98 IonicContact OE2-NZ 3.34Å; E88-K98 PolarHBondContact OE2-NZ 3.04Å
89	I	94.4	Very high	95.5	Very high	3 Å²	3	72.5 Å²	72.5	2%	0.015	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-141.5	100.4	-176	-59.6	-64.9	0	0	0	106.8	M39 F81 V84 Q85 G86 F95 K98	M39-I89 HydrophobicContact CE-CG1 4.32Å; F81-I89 HydrophobicContact CE2-CG2 4.32Å; V84-I89 HydrophobicContact CG1-CB 4.41Å; V84-I89 HydrophobicContact CG1-CG2 4.21Å; Q85-I89 WeakPolarHBondContact CA-O 3.36Å; G86-I89 PolarHBondContact N-O 3.43Å; G86-I89 CarbonylContact O-C 3.31Å; G86-I89 VanDerWaalsContact O-C 3.31Å; G86-I89 PolarHBondContact O-N 3.44Å; I89-F95 HydrophobicContact CD1-CD2 4.49Å; I89-F95 HydrophobicContact CG1-CD2 4.49Å; I89-F95 HydrophobicContact CG2-CB 3.77Å; I89-F95 HydrophobicContact CG2-CD2 4.22Å; I89-F95 HydrophobicContact CG2-CG 4.49Å; I89-K98 HydrophobicContact CD1-CD 3.64Å
90	S	94.6	Very high	95.5	Very high	60 Å²	60	81 Å²	81	42%	0.42	39%	0.392	S	S	.	.			trans	-93.1	-34	-177.9	-56.7	0	0	0	0	111.6	Q85 E94	Q85-S90 PolarHBondContact NE2-O 3.43Å; S90-E94 WeakPolarHBondContact CB-OE2 3.32Å; S90-E94 PolarHBondContact N-OE2 3.27Å
91	T	95.9	Very high	95.5	Very high	59 Å²	59	80.8 Å²	80.8	36%	0.362	39%	0.389	S	S	.	.	S	Bend	trans	-127.9	159.7	-177.5	70.7	0	0	0	0	112.1	F81 D93 E94 F95	F81-T91 VanDerWaalsContact CZ-C 3.49Å; T91-D93 VanDerWaalsContact C-N 3.29Å; T91-D93 PolarHBondContact O-N 3.4Å; T91-E94 PolarHBondContact N-OE2 3.09Å; T91-E94 PolarHBondContact O-N 3.18Å; T91-E94 WeakPolarHBondContact OG1-CG 3.23Å; T91-E94 PolarHBondContact OG1-N 3.25Å; T91-F95 PolarHBondContact O-N 2.72Å
92	I	97.1	Very high	95.5	Very high	17 Å²	17	85.7 Å²	85.7	9%	0.087	42%	0.417	C	S	.	.	H	α-helix	trans	-65.6	-33.7	174.8	-171.8	56.2	0	0	0	111.9	L42 V46 Y77 F81 E94 F95 C96 M107	L42-I92 HydrophobicContact CD1-CD1 4.23Å; L42-I92 HydrophobicContact CD2-CD1 4.24Å; L42-I92 HydrophobicContact CG-CD1 4.47Å; V46-I92 HydrophobicContact CG2-CD1 4.25Å; Y77-I92 HydrophobicContact CE2-CD1 3.83Å; Y77-I92 HydrophobicContact CE2-CG1 3.91Å; Y77-I92 WeakPolarHBondContact OH-CB 3.42Å; F81-I92 HydrophobicContact CD2-CB 4.41Å; F81-I92 HydrophobicContact CD2-CD1 4.16Å; F81-I92 HydrophobicContact CE2-CB 4.15Å; F81-I92 HydrophobicContact CE2-CD1 4.46Å; I92-E94 VanDerWaalsContact C-N 3.33Å; I92-E94 PolarHBondContact O-N 3.48Å; I92-F95 HydrophobicContact CD1-CB 4.32Å; I92-F95 HydrophobicContact CD1-CD1 4.26Å; I92-F95 WeakPolarHBondContact O-CB 3.32Å; I92-F95 PolarHBondContact O-N 2.84Å; I92-C96 WeakPolarHBondContact O-CB 3.42Å; I92-C96 PolarHBondContact O-N 2.83Å; I92-C96 PolarHBondContact O-SG 3.36Å; I92-C96 VanDerWaalsContact O-SG 3.37Å; I92-M107 HydrophobicContact CG1-CE 4.2Å; I92-M107 HydrophobicContact CG1-SD 4.07Å; I92-M107 HydrophobicContact CG2-SD 4.42Å
93	D	95.3	Very high	95.5	Very high	108 Å²	108	76.7 Å²	76.7	58%	0.578	38%	0.383	S	S	*	.	H	α-helix	trans	-62.6	-39.5	176.2	-61.7	-66	0	0	0	112	T91 C96 R97	T91-D93 VanDerWaalsContact C-N 3.29Å; T91-D93 PolarHBondContact O-N 3.4Å; D93-C96 PolarHBondContact O-N 3.44Å; D93-R97 VanDerWaalsContact O-CB 3.28Å; D93-R97 WeakPolarHBondContact O-CB 3.45Å; D93-R97 PolarHBondContact O-N 3.16Å
94	E	97.2	Very high	95.6	Very high	68 Å²	68	74 Å²	74	32%	0.318	38%	0.378	S	S	.	.	H	α-helix	trans	-62.9	-44.4	174.4	-75.7	175.2	170.8	0	0	111.8	S90 T91 I92 R97 K98	S90-E94 WeakPolarHBondContact CB-OE2 3.32Å; S90-E94 PolarHBondContact N-OE2 3.27Å; T91-E94 PolarHBondContact N-OE2 3.09Å; T91-E94 PolarHBondContact O-N 3.18Å; T91-E94 WeakPolarHBondContact OG1-CG 3.23Å; T91-E94 PolarHBondContact OG1-N 3.25Å; I92-E94 VanDerWaalsContact C-N 3.33Å; I92-E94 PolarHBondContact O-N 3.48Å; E94-R97 PolarHBondContact O-N 2.83Å; E94-K98 VanDerWaalsContact O-CB 3.29Å; E94-K98 WeakPolarHBondContact O-CB 3.4Å; E94-K98 PolarHBondContact O-N 3.36Å
95	F	98	Very high	95.7	Very high	2 Å²	2	75.7 Å²	75.7	1%	0.009	39%	0.386	C	S	.	.	H	α-helix	trans	-59.3	-50.9	175.3	-176.3	-92.6	0	0	0	111.2	M39 L42 F43 V84 I89 T91 I92 R97 K98 F99 L101	M39-F95 HydrophobicContact CB-CE2 4.02Å; M39-F95 HydrophobicContact CB-CZ 4.4Å; M39-F95 HydrophobicContact CG-CE2 3.98Å; M39-F95 WeakPolarHBondContact O-CZ 3.41Å; L42-F95 HydrophobicContact CB-CZ 4.36Å; L42-F95 HydrophobicContact CD2-CD1 3.92Å; L42-F95 HydrophobicContact CD2-CD2 3.87Å; L42-F95 HydrophobicContact CD2-CE1 3.97Å; L42-F95 HydrophobicContact CD2-CE2 3.92Å; L42-F95 HydrophobicContact CD2-CG 3.87Å; L42-F95 HydrophobicContact CD2-CZ 3.98Å; L42-F95 HydrophobicContact CG-CD1 4.34Å; L42-F95 HydrophobicContact CG-CE1 4.05Å; L42-F95 HydrophobicContact CG-CZ 4.21Å; F43-F95 HydrophobicContact CB-CE1 4.15Å; F43-F95 HydrophobicContact CB-CZ 4.12Å; F43-F95 HydrophobicContact CD2-CE1 4.31Å; V84-F95 HydrophobicContact CG1-CD2 3.98Å; V84-F95 HydrophobicContact CG1-CE2 4.1Å; I89-F95 HydrophobicContact CD1-CD2 4.49Å; I89-F95 HydrophobicContact CG1-CD2 4.49Å; I89-F95 HydrophobicContact CG2-CB 3.77Å; I89-F95 HydrophobicContact CG2-CD2 4.22Å; I89-F95 HydrophobicContact CG2-CG 4.49Å; T91-F95 PolarHBondContact O-N 2.72Å; I92-F95 HydrophobicContact CD1-CB 4.32Å; I92-F95 HydrophobicContact CD1-CD1 4.26Å; I92-F95 WeakPolarHBondContact O-CB 3.32Å; I92-F95 PolarHBondContact O-N 2.84Å; F95-R97 VanDerWaalsContact C-N 3.32Å; F95-R97 PolarHBondContact O-N 3.39Å; F95-K98 PolarHBondContact O-N 2.85Å; F95-F99 HydrophobicContact CD1-CD2 4.29Å; F95-F99 AromaticContact CD2-CD2 3.71Å; F95-F99 HydrophobicContact CD2-CD2 3.71Å; F95-F99 AromaticContact CD2-CE2 3.65Å; F95-F99 HydrophobicContact CD2-CE2 3.65Å; F95-F99 HydrophobicContact CE1-CD2 4.09Å; F95-F99 AromaticContact CE2-CD2 3.49Å; F95-F99 HydrophobicContact CE2-CD2 3.49Å; F95-F99 VanDerWaalsContact CE2-CD2 3.49Å; F95-F99 AromaticContact CE2-CE2 3.35Å; F95-F99 HydrophobicContact CE2-CE2 3.35Å; F95-F99 HydrophobicContact CE2-CZ 4.44Å; F95-F99 HydrophobicContact CG-CD2 4.11Å; F95-F99 HydrophobicContact CG-CE2 4.47Å; F95-F99 AromaticContact CZ-CD2 3.68Å; F95-F99 HydrophobicContact CZ-CD2 3.68Å; F95-F99 AromaticContact CZ-CE2 3.96Å; F95-F99 HydrophobicContact CZ-CE2 3.96Å; F95-F99 WeakPolarHBondContact O-CD2 3.16Å; F95-F99 PolarHBondContact O-N 3.46Å; F95-L101 HydrophobicContact CE1-CD2 4.32Å
96	C	97.4	Very high	95.9	Very high	14 Å²	14	70.6 Å²	70.6	10%	0.095	36%	0.362	C	S	.	.	H	α-helix	trans	-60.7	-41.6	179.9	-71.8	0	0	0	0	111.9	I92 D93 R100 L101	I92-C96 WeakPolarHBondContact O-CB 3.42Å; I92-C96 PolarHBondContact O-N 2.83Å; I92-C96 PolarHBondContact O-SG 3.36Å; I92-C96 VanDerWaalsContact O-SG 3.37Å; D93-C96 PolarHBondContact O-N 3.44Å; C96-R100 CarbonylContact O-C 3.51Å; C96-R100 VanDerWaalsContact O-CA 3.31Å; C96-R100 WeakPolarHBondContact O-CA 3.35Å; C96-R100 PolarHBondContact O-N 3.15Å; C96-L101 HydrophobicContact CB-CB 4.29Å; C96-L101 PolarHBondContact O-N 2.8Å
97	R	97.3	Very high	96.2	Very high	199 Å²	199	70.3 Å²	70.3	75%	0.751	35%	0.351	S	S	*	.	H	α-helix	trans	-65.1	-44.8	175.8	-174.8	178	62.1	135	-1.4	112.1	D93 E94 F95 F99 R100	D93-R97 VanDerWaalsContact O-CB 3.28Å; D93-R97 WeakPolarHBondContact O-CB 3.45Å; D93-R97 PolarHBondContact O-N 3.16Å; E94-R97 PolarHBondContact O-N 2.83Å; F95-R97 VanDerWaalsContact C-N 3.32Å; F95-R97 PolarHBondContact O-N 3.39Å; R97-F99 VanDerWaalsContact C-N 3.34Å; R97-F99 PolarHBondContact O-N 3.2Å; R97-R100 PolarHBondContact O-N 2.92Å
98	K	97.2	Very high	96.6	Very high	107 Å²	107	68.2 Å²	68.2	47%	0.465	33%	0.327	S	S	.	.	H	α-helix	trans	-61.5	-41.9	-178.7	-174.7	172.8	-175.7	170.7	0	111.8	E88 I89 E94 F95	E88-K98 IonicContact OE2-NZ 3.34Å; E88-K98 PolarHBondContact OE2-NZ 3.04Å; I89-K98 HydrophobicContact CD1-CD 3.64Å; E94-K98 VanDerWaalsContact O-CB 3.29Å; E94-K98 WeakPolarHBondContact O-CB 3.4Å; E94-K98 PolarHBondContact O-N 3.36Å; F95-K98 PolarHBondContact O-N 2.85Å
99	F	97.3	Very high	96.9	Very high	72 Å²	72	63.5 Å²	63.5	32%	0.316	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	9.8	-177.6	-63.3	-71.4	0	0	0	114.1	M39 F43 F95 R97 L101	M39-F99 HydrophobicContact SD-CE2 4.15Å; M39-F99 HydrophobicContact SD-CZ 3.81Å; F43-F99 HydrophobicContact CD2-CB 4.27Å; F43-F99 HydrophobicContact CE2-CB 4.22Å; F95-F99 HydrophobicContact CD1-CD2 4.29Å; F95-F99 AromaticContact CD2-CD2 3.71Å; F95-F99 HydrophobicContact CD2-CD2 3.71Å; F95-F99 AromaticContact CD2-CE2 3.65Å; F95-F99 HydrophobicContact CD2-CE2 3.65Å; F95-F99 HydrophobicContact CE1-CD2 4.09Å; F95-F99 AromaticContact CE2-CD2 3.49Å; F95-F99 HydrophobicContact CE2-CD2 3.49Å; F95-F99 VanDerWaalsContact CE2-CD2 3.49Å; F95-F99 AromaticContact CE2-CE2 3.35Å; F95-F99 HydrophobicContact CE2-CE2 3.35Å; F95-F99 HydrophobicContact CE2-CZ 4.44Å; F95-F99 HydrophobicContact CG-CD2 4.11Å; F95-F99 HydrophobicContact CG-CE2 4.47Å; F95-F99 AromaticContact CZ-CD2 3.68Å; F95-F99 HydrophobicContact CZ-CD2 3.68Å; F95-F99 AromaticContact CZ-CE2 3.96Å; F95-F99 HydrophobicContact CZ-CE2 3.96Å; F95-F99 WeakPolarHBondContact O-CD2 3.16Å; F95-F99 PolarHBondContact O-N 3.46Å; R97-F99 VanDerWaalsContact C-N 3.34Å; R97-F99 PolarHBondContact O-N 3.2Å; F99-L101 PolarHBondContact O-N 3.44Å
100	R	97.1	Very high	97	Very high	232 Å²	232	64.4 Å²	64.4	88%	0.875	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	40.5	-179	-56.8	-175.9	178.3	-168.3	-0.4	113.1	C96 R97 D102	C96-R100 CarbonylContact O-C 3.51Å; C96-R100 VanDerWaalsContact O-CA 3.31Å; C96-R100 WeakPolarHBondContact O-CA 3.35Å; C96-R100 PolarHBondContact O-N 3.15Å; R97-R100 PolarHBondContact O-N 2.92Å; R100-D102 PolarHBondContact O-N 2.93Å
101	L	97.4	Very high	96.8	Very high	8 Å²	8	69.3 Å²	69.3	4%	0.042	32%	0.323	C	S	.	.			trans	-86.9	88.8	179.5	-176.2	58.3	0	0	0	110.4	F43 V46 K47 F95 C96 F99 C103	F43-L101 HydrophobicContact CD2-CB 4.36Å; F43-L101 HydrophobicContact CD2-CD1 4.23Å; F43-L101 HydrophobicContact CD2-CD2 3.85Å; F43-L101 HydrophobicContact CD2-CG 4.38Å; F43-L101 HydrophobicContact CE1-CD1 4.12Å; F43-L101 HydrophobicContact CE2-CB 3.98Å; F43-L101 HydrophobicContact CE2-CD1 3.75Å; F43-L101 HydrophobicContact CE2-CD2 4.15Å; F43-L101 HydrophobicContact CE2-CG 4.18Å; F43-L101 HydrophobicContact CG-CD2 4.21Å; F43-L101 HydrophobicContact CZ-CD1 3.7Å; V46-L101 HydrophobicContact CB-CD2 3.85Å; V46-L101 HydrophobicContact CG1-CD2 3.6Å; V46-L101 HydrophobicContact CG1-CG 4.2Å; K47-L101 HydrophobicContact CD-CD1 3.6Å; F95-L101 HydrophobicContact CE1-CD2 4.32Å; C96-L101 HydrophobicContact CB-CB 4.29Å; C96-L101 PolarHBondContact O-N 2.8Å; F99-L101 PolarHBondContact O-N 3.44Å; L101-C103 WeakPolarHBondContact CD1-SG 3.31Å; L101-C103 PolarHBondContact O-N 3.37Å
102	D	97.4	Very high	96.4	Very high	129 Å²	129	69.2 Å²	69.2	69%	0.69	32%	0.318	S	S	*	.			trans	-84.1	99.6	177.3	-171.7	12.3	0	0	0	111.1	R100 P104	R100-D102 PolarHBondContact O-N 2.93Å; D102-P104 WeakPolarHBondContact OD1-CD 3.36Å
103	C	98.1	Very high	96.1	Very high	2 Å²	2	72.1 Å²	72.1	1%	0.014	33%	0.334	C	S	.	.			trans	-138.8	65.8	-175.4	-66	0	0	0	0	112	V46 Q50 L101 L105 A106 M107	V46-C103 HydrophobicContact CG1-CB 3.97Å; Q50-C103 HydrophobicContact CB-CB 3.9Å; Q50-C103 HydrophobicContact CG-CB 3.98Å; Q50-C103 PolarHBondContact OE1-O 2.95Å; L101-C103 WeakPolarHBondContact CD1-SG 3.31Å; L101-C103 PolarHBondContact O-N 3.37Å; C103-L105 VanDerWaalsContact C-N 3.29Å; C103-L105 PolarHBondContact O-N 2.82Å; C103-A106 HydrophobicContact CB-CB 4.01Å; C103-A106 PolarHBondContact O-N 3.22Å; C103-M107 WeakPolarHBondContact O-CG 3.19Å; C103-M107 PolarHBondContact O-N 3.23Å
104	P	98	Very high	95.8	Very high	78 Å²	78	68.7 Å²	68.7	51%	0.506	31%	0.313	S	S	.	.	H	α-helix	trans	-63.5	-30.8	-171	24.4	-34.6	0	0	0	113.7	D102 E108	D102-P104 WeakPolarHBondContact OD1-CD 3.36Å; P104-E108 PolarHBondContact O-N 3.31Å
105	L	97.9	Very high	95.6	Very high	51 Å²	51	65.5 Å²	65.5	27%	0.267	30%	0.298	S	S	.	.	H	α-helix	trans	-73.5	-43.7	179.7	-51.9	171.8	0	0	0	110.7	Q50 E53 K54 I57 C103 M107 E108 R109	Q50-L105 VanDerWaalsContact OE1-CB 3.25Å; E53-L105 HydrophobicContact CB-CB 3.61Å; E53-L105 HydrophobicContact CB-CD1 3.83Å; E53-L105 HydrophobicContact CB-CG 4.36Å; E53-L105 HydrophobicContact CG-CB 3.84Å; K54-L105 HydrophobicContact CG-CD1 3.77Å; I57-L105 HydrophobicContact CD1-CD1 3.7Å; I57-L105 HydrophobicContact CD1-CD2 4.13Å; C103-L105 VanDerWaalsContact C-N 3.29Å; C103-L105 PolarHBondContact O-N 2.82Å; L105-M107 VanDerWaalsContact C-N 3.29Å; L105-M107 PolarHBondContact O-N 2.89Å; L105-E108 PolarHBondContact O-N 3.35Å; L105-R109 PolarHBondContact O-N 3.21Å
106	A	98.3	Very high	95.3	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.5	-40.8	173.9	0	0	0	0	0	111.4	V46 M49 Q50 C103 E108 R109 I110	V46-A106 HydrophobicContact CG1-CB 4.18Å; M49-A106 HydrophobicContact CB-CB 4.03Å; M49-A106 HydrophobicContact CG-CB 4Å; M49-A106 HydrophobicContact SD-CB 4.03Å; Q50-A106 HydrophobicContact CB-CB 4.12Å; C103-A106 HydrophobicContact CB-CB 4.01Å; C103-A106 PolarHBondContact O-N 3.22Å; A106-E108 VanDerWaalsContact C-N 3.33Å; A106-E108 PolarHBondContact O-N 3.11Å; A106-R109 PolarHBondContact O-N 3.03Å; A106-I110 WeakPolarHBondContact O-CB 3.15Å; A106-I110 WeakPolarHBondContact O-CG1 3.5Å; A106-I110 PolarHBondContact O-N 3.03Å
107	M	98	Very high	94.8	Very high	34 Å²	34	71.1 Å²	71.1	17%	0.167	33%	0.328	C	S	.	.	H	α-helix	trans	-61.9	-40	178.1	-67	-52.9	98.3	0	0	111.8	V46 I92 C103 L105 I110 K111	V46-M107 HydrophobicContact CG1-CE 3.48Å; V46-M107 VanDerWaalsContact CG1-CE 3.48Å; V46-M107 HydrophobicContact CG2-CE 4.47Å; I92-M107 HydrophobicContact CG1-CE 4.2Å; I92-M107 HydrophobicContact CG1-SD 4.07Å; I92-M107 HydrophobicContact CG2-SD 4.42Å; C103-M107 WeakPolarHBondContact O-CG 3.19Å; C103-M107 PolarHBondContact O-N 3.23Å; L105-M107 VanDerWaalsContact C-N 3.29Å; L105-M107 PolarHBondContact O-N 2.89Å; M107-I110 HydrophobicContact CE-CD1 3.62Å; M107-I110 PolarHBondContact O-N 3.19Å; M107-K111 VanDerWaalsContact O-CB 3.27Å; M107-K111 WeakPolarHBondContact O-CB 3.29Å; M107-K111 PolarHBondContact O-N 3.38Å
108	E	95.4	Very high	94.1	Very high	81 Å²	81	65.3 Å²	65.3	38%	0.379	31%	0.311	S	S	.	.	H	α-helix	trans	-65.4	-41.2	176.8	-160.8	63.1	-142.1	0	0	111.9	P104 L105 A106 K111 E112	P104-E108 PolarHBondContact O-N 3.31Å; L105-E108 PolarHBondContact O-N 3.35Å; A106-E108 VanDerWaalsContact C-N 3.33Å; A106-E108 PolarHBondContact O-N 3.11Å; E108-K111 PolarHBondContact O-N 3.15Å; E108-K111 IonicContact OE1-NZ 2.85Å; E108-E112 PolarHBondContact O-N 3.42Å
109	R	96	Very high	92.8	Very high	10 Å²	10	69 Å²	69	4%	0.038	33%	0.327	C	S	.	.	H	α-helix	trans	-64.6	-40.8	175.5	-64	-55.2	86.9	-135.2	3.5	112.6	M49 E53 L74 L105 A106 K111 E112 D113 R114	M49-R109 HydrophobicContact SD-CB 3.96Å; E53-R109 HydrophobicContact CG-CG 3.98Å; E53-R109 VanDerWaalsContact OE1-CG 3.32Å; E53-R109 WeakPolarHBondContact OE1-CG 3.43Å; E53-R109 WeakPolarHBondContact OE2-CD 3.48Å; E53-R109 WeakPolarHBondContact OE2-CG 3.36Å; E53-R109 IonicContact OE2-NE 3.13Å; L74-R109 HydrophobicContact CD2-CB 4.45Å; L105-R109 PolarHBondContact O-N 3.21Å; A106-R109 PolarHBondContact O-N 3.03Å; R109-K111 VanDerWaalsContact C-N 3.35Å; R109-E112 IonicContact CZ-OE1 3.58Å; R109-E112 IonicContact CZ-OE2 3.69Å; R109-E112 VanDerWaalsContact NH1-CD 3.29Å; R109-E112 IonicContact NH1-OE1 2.75Å; R109-E112 IonicContact NH1-OE2 3.75Å; R109-E112 PolarHBondContact NH1-OE2 2.92Å; R109-E112 IonicContact NH2-OE1 3.69Å; R109-E112 PolarHBondContact NH2-OE1 2.84Å; R109-E112 IonicContact NH2-OE2 2.76Å; R109-E112 PolarHBondContact NH2-OE2 3.25Å; R109-E112 PolarHBondContact O-N 3.2Å; R109-D113 WeakPolarHBondContact O-CA 3.21Å; R109-D113 PolarHBondContact O-N 2.89Å; R109-R114 WeakPolarHBondContact CD-O 3.35Å; R109-R114 PolarHBondContact NH1-O 3.03Å
110	I	95.9	Very high	90.9	Very high	21 Å²	21	69.1 Å²	69.1	11%	0.108	33%	0.331	C	S	.	.	H	α-helix	trans	-62.9	-43.3	175.6	-76.7	164.1	0	0	0	110.8	V46 M49 L74 Y77 A106 M107 E112 D113	V46-I110 HydrophobicContact CG2-CD1 4.28Å; M49-I110 HydrophobicContact CE-CG1 4.3Å; M49-I110 HydrophobicContact SD-CD1 4.24Å; M49-I110 HydrophobicContact SD-CG1 3.93Å; L74-I110 HydrophobicContact CD2-CG1 4.37Å; Y77-I110 HydrophobicContact CD1-CD1 4.29Å; Y77-I110 HydrophobicContact CD1-CG1 3.84Å; Y77-I110 HydrophobicContact CD1-CG2 4.33Å; Y77-I110 HydrophobicContact CD2-CD1 3.69Å; Y77-I110 HydrophobicContact CD2-CG1 4.17Å; Y77-I110 HydrophobicContact CE1-CB 4.19Å; Y77-I110 HydrophobicContact CE1-CD1 4.18Å; Y77-I110 HydrophobicContact CE1-CG1 3.8Å; Y77-I110 HydrophobicContact CE1-CG2 3.46Å; Y77-I110 VanDerWaalsContact CE1-CG2 3.46Å; Y77-I110 HydrophobicContact CE2-CD1 3.55Å; Y77-I110 HydrophobicContact CE2-CG1 4.11Å; Y77-I110 HydrophobicContact CE2-CG2 4.32Å; Y77-I110 HydrophobicContact CG-CD1 4.06Å; Y77-I110 HydrophobicContact CG-CG1 4.03Å; Y77-I110 VanDerWaalsContact CZ-CG2 3.45Å; Y77-I110 VanDerWaalsContact OH-CG2 3.31Å; Y77-I110 WeakPolarHBondContact OH-CG2 3.19Å; A106-I110 WeakPolarHBondContact O-CB 3.15Å; A106-I110 WeakPolarHBondContact O-CG1 3.5Å; A106-I110 PolarHBondContact O-N 3.03Å; M107-I110 HydrophobicContact CE-CD1 3.62Å; M107-I110 PolarHBondContact O-N 3.19Å; I110-E112 VanDerWaalsContact C-N 3.34Å; I110-D113 PolarHBondContact O-N 3.15Å
111	K	90.6	Very high	89	Confident	163 Å²	163	60.7 Å²	60.7	71%	0.709	30%	0.303	S	S	*	.	H	α-helix	trans	-64.1	-39.3	178.9	-178	-175.9	172.6	-163.6	0	112.2	M107 E108 R109	M107-K111 VanDerWaalsContact O-CB 3.27Å; M107-K111 WeakPolarHBondContact O-CB 3.29Å; M107-K111 PolarHBondContact O-N 3.38Å; E108-K111 PolarHBondContact O-N 3.15Å; E108-K111 IonicContact OE1-NZ 2.85Å; R109-K111 VanDerWaalsContact C-N 3.35Å
112	E	87.3	Confident	86.9	Confident	57 Å²	57	66.1 Å²	66.1	27%	0.266	33%	0.327	S	S	.	.	H	α-helix	trans	-83	-17.2	176.9	-69	-172.5	-152.3	0	0	114.2	E108 R109 I110 R114	E108-E112 PolarHBondContact O-N 3.42Å; R109-E112 IonicContact CZ-OE1 3.58Å; R109-E112 IonicContact CZ-OE2 3.69Å; R109-E112 VanDerWaalsContact NH1-CD 3.29Å; R109-E112 IonicContact NH1-OE1 2.75Å; R109-E112 IonicContact NH1-OE2 3.75Å; R109-E112 PolarHBondContact NH1-OE2 2.92Å; R109-E112 IonicContact NH2-OE1 3.69Å; R109-E112 PolarHBondContact NH2-OE1 2.84Å; R109-E112 IonicContact NH2-OE2 2.76Å; R109-E112 PolarHBondContact NH2-OE2 3.25Å; R109-E112 PolarHBondContact O-N 3.2Å; I110-E112 VanDerWaalsContact C-N 3.34Å; E112-R114 HydrophobicContact CB-CG 3.98Å; E112-R114 PolarHBondContact O-N 3.45Å; E112-R114 IonicContact OE2-CZ 3.5Å; E112-R114 IonicContact OE2-NE 3.33Å; E112-R114 PolarHBondContact OE2-NE 3.46Å; E112-R114 VanDerWaalsContact OE2-NE 3.13Å; E112-R114 IonicContact OE2-NH2 2.84Å; E112-R114 PolarHBondContact OE2-NH2 3.5Å
113	D	91.5	Very high	85	Confident	78 Å²	78	63.1 Å²	63.1	42%	0.417	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	37	-172.7	-163.9	35	0	0	0	113.7	K78 R109 I110	K78-D113 IonicContact NZ-OD1 3.82Å; K78-D113 PolarHBondContact NZ-OD1 3.03Å; K78-D113 IonicContact NZ-OD2 3.9Å; K78-D113 PolarHBondContact NZ-OD2 3.03Å; R109-D113 WeakPolarHBondContact O-CA 3.21Å; R109-D113 PolarHBondContact O-N 2.89Å; I110-D113 PolarHBondContact O-N 3.15Å
114	R	88.3	Confident	83.4	Confident	36 Å²	36	65.7 Å²	65.7	14%	0.136	34%	0.34	C	S	.	.	S	Bend	trans	-156.8	155.1	177	64.5	-173.5	168.4	-128.9	-9.4	112.9	R109 E112 I118 D120	R109-R114 WeakPolarHBondContact CD-O 3.35Å; R109-R114 PolarHBondContact NH1-O 3.03Å; E112-R114 HydrophobicContact CB-CG 3.98Å; E112-R114 PolarHBondContact O-N 3.45Å; E112-R114 IonicContact OE2-CZ 3.5Å; E112-R114 IonicContact OE2-NE 3.33Å; E112-R114 PolarHBondContact OE2-NE 3.46Å; E112-R114 VanDerWaalsContact OE2-NE 3.13Å; E112-R114 IonicContact OE2-NH2 2.84Å; E112-R114 PolarHBondContact OE2-NH2 3.5Å; R114-I118 HydrophobicContact CB-CB 4.38Å; R114-I118 WeakPolarHBondContact CD-O 3.43Å; R114-D120 VanDerWaalsContact CZ-CB 3.43Å; R114-D120 IonicContact CZ-OD1 2.64Å; R114-D120 IonicContact CZ-OD2 3.18Å; R114-D120 IonicContact NH1-OD1 3.31Å; R114-D120 PolarHBondContact NH1-OD1 2.8Å; R114-D120 IonicContact NH1-OD2 3.35Å; R114-D120 PolarHBondContact NH1-OD2 3.09Å; R114-D120 IonicContact NH2-OD1 3.05Å; R114-D120 IonicContact NH2-OD2 3.89Å; R114-D120 PolarHBondContact NH2-OD2 3.43Å
115	P	93.8	Very high	82.4	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.013	32%	0.323	C	S	.	.			trans	-61	152.6	169.2	-20.7	33.4	0	0	0	112.5	Y66 T67 C70 S71 T117 I118	Y66-P115 HydrophobicContact CE1-CB 3.69Å; T67-P115 HydrophobicContact CG2-CB 4.35Å; T67-P115 HydrophobicContact CG2-CG 4.11Å; C70-P115 HydrophobicContact CB-CB 3.97Å; C70-P115 HydrophobicContact CB-CG 3.91Å; S71-P115 WeakPolarHBondContact OG-CG 3.42Å; P115-T117 PolarHBondContact O-N 2.97Å; P115-T117 VanDerWaalsContact O-N 3.15Å; P115-I118 HydrophobicContact CG-CD1 4.32Å; P115-I118 PolarHBondContact O-N 3.06Å
116	I	90.5	Very high	81.7	Confident	86 Å²	86	66.7 Å²	66.7	44%	0.441	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.4	-179.3	-159.4	174.1	0	0	0	113.6	Y56 Y66 I118	Y56-I116 HydrophobicContact CD1-CG2 3.74Å; Y56-I116 HydrophobicContact CE1-CG2 3.49Å; Y56-I116 VanDerWaalsContact CE1-CG2 3.49Å; Y66-I116 HydrophobicContact CE1-CG2 3.71Å; Y66-I116 WeakPolarHBondContact OH-CG2 3.38Å; Y66-I116 PolarHBondContact OH-N 3.46Å; I116-I118 VanDerWaalsContact C-N 3.28Å
117	T	87.4	Confident	81	Confident	47 Å²	47	74.8 Å²	74.8	29%	0.288	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-20.9	176.3	45.5	0	0	0	0	112.9	Y56 P63 Y66 T67 P115	Y56-T117 HydrophobicContact CE1-CG2 4.28Å; Y56-T117 HydrophobicContact CE2-CG2 4.34Å; Y56-T117 WeakPolarHBondContact OH-CG2 3.33Å; P63-T117 HydrophobicContact CB-CG2 4.38Å; Y66-T117 HydrophobicContact CD1-CG2 3.77Å; Y66-T117 HydrophobicContact CE1-CG2 3.93Å; T67-T117 WeakPolarHBondContact OG1-CB 3.22Å; T67-T117 PolarHBondContact OG1-OG1 3Å; P115-T117 PolarHBondContact O-N 2.97Å; P115-T117 VanDerWaalsContact O-N 3.15Å
118	I	82.4	Confident	80.6	Confident	78 Å²	78	73.2 Å²	73.2	40%	0.4	36%	0.364	S	S	.	.	S	Bend	trans	-94.7	110.8	177.4	-55.8	-170.6	0	0	0	107.7	T67 R114 P115 I116	T67-I118 HydrophobicContact CG2-CD1 4.27Å; T67-I118 HydrophobicContact CG2-CG1 4.34Å; R114-I118 HydrophobicContact CB-CB 4.38Å; R114-I118 WeakPolarHBondContact CD-O 3.43Å; P115-I118 HydrophobicContact CG-CD1 4.32Å; P115-I118 PolarHBondContact O-N 3.06Å; I116-I118 VanDerWaalsContact C-N 3.28Å
119	K	69.9	Low	80.4	Confident	185 Å²	185	71.1 Å²	71.1	80%	0.804	36%	0.355	S	S	*	.			trans	-73.5	149.5	175.9	-67.3	-176.6	179.7	-180	0	110.6	D121	K119-D121 PolarHBondContact O-N 3.2Å
120	D	58.4	Low	80.2	Confident	74 Å²	74	73.4 Å²	73.4	40%	0.396	38%	0.376	S	S	.	.			trans	-66.4	122.1	172.2	-150	-11.1	0	0	0	111	R114 K122	R114-D120 VanDerWaalsContact CZ-CB 3.43Å; R114-D120 IonicContact CZ-OD1 2.64Å; R114-D120 IonicContact CZ-OD2 3.18Å; R114-D120 IonicContact NH1-OD1 3.31Å; R114-D120 PolarHBondContact NH1-OD1 2.8Å; R114-D120 IonicContact NH1-OD2 3.35Å; R114-D120 PolarHBondContact NH1-OD2 3.09Å; R114-D120 IonicContact NH2-OD1 3.05Å; R114-D120 IonicContact NH2-OD2 3.89Å; R114-D120 PolarHBondContact NH2-OD2 3.43Å; D120-K122 WeakPolarHBondContact OD1-CB 3.31Å; D120-K122 WeakPolarHBondContact OD1-CD 3.21Å; D120-K122 WeakPolarHBondContact OD1-CG 3.26Å; D120-K122 PolarHBondContact OD1-N 3.36Å
121	D	55.6	Low	80.1	Confident	54 Å²	54	74.7 Å²	74.7	29%	0.289	38%	0.383	S	S	.	.			trans	-88.4	-1.9	162.1	-79.4	-34.3	0	0	0	111.7	K119 G123 N124 L125 S168	K119-D121 PolarHBondContact O-N 3.2Å; D121-G123 PolarHBondContact O-N 3.5Å; D121-N124 HydrophobicContact CB-CB 4.3Å; D121-N124 CarbonylContact O-C 3.22Å; D121-N124 WeakPolarHBondContact O-CA 3.4Å; D121-N124 WeakPolarHBondContact O-CB 3.43Å; D121-N124 PolarHBondContact O-N 2.91Å; D121-N124 PolarHBondContact OD1-ND2 2.94Å; D121-L125 WeakPolarHBondContact O-CA 3.36Å; D121-L125 WeakPolarHBondContact O-CB 3.4Å; D121-L125 PolarHBondContact O-N 3.13Å; D121-S168 WeakPolarHBondContact OD2-CB 3.34Å; D121-S168 PolarHBondContact OD2-OG 2.83Å
122	K	54.9	Low	80.4	Confident	122 Å²	122	67 Å²	67	53%	0.53	35%	0.349	S	S	.	.	H	α-helix	trans	-60.8	-37.2	-173.5	-74.4	171.6	179.7	176.6	0	114.6	D120 N124 L125 N126	D120-K122 WeakPolarHBondContact OD1-CB 3.31Å; D120-K122 WeakPolarHBondContact OD1-CD 3.21Å; D120-K122 WeakPolarHBondContact OD1-CG 3.26Å; D120-K122 PolarHBondContact OD1-N 3.36Å; K122-N124 VanDerWaalsContact C-N 3.29Å; K122-L125 PolarHBondContact O-N 3.19Å; K122-N126 PolarHBondContact O-N 3.33Å
123	G	55.7	Low	80.8	Confident	66 Å²	66	65.8 Å²	65.8	68%	0.68	35%	0.346	S	S	*	.	H	α-helix	trans	-69	-30.3	170.7	0	0	0	0	0	112.7	D121	D121-G123 PolarHBondContact O-N 3.5Å
124	N	65.3	Low	81.1	Confident	56 Å²	56	65.1 Å²	65.1	30%	0.299	35%	0.347	S	S	.	.	H	α-helix	trans	-77.5	-24.3	173	-165.2	14.6	0	0	0	111.9	D121 K122 C128	D121-N124 HydrophobicContact CB-CB 4.3Å; D121-N124 CarbonylContact O-C 3.22Å; D121-N124 WeakPolarHBondContact O-CA 3.4Å; D121-N124 WeakPolarHBondContact O-CB 3.43Å; D121-N124 PolarHBondContact O-N 2.91Å; D121-N124 PolarHBondContact OD1-ND2 2.94Å; K122-N124 VanDerWaalsContact C-N 3.29Å; N124-C128 WeakPolarHBondContact O-CA 3.42Å; N124-C128 WeakPolarHBondContact O-CB 3.3Å; N124-C128 PolarHBondContact O-N 3.38Å; N124-C128 PolarHBondContact O-SG 2.97Å; N124-C128 PolarHBondContact OD1-SG 3.42Å
125	L	76.6	Confident	81.5	Confident	30 Å²	30	64.1 Å²	64.1	16%	0.157	35%	0.345	C	S	.	.	H	α-helix	trans	-77.3	-53.2	-170.6	-179	66.2	0	0	0	110.2	D121 K122 R127 C128 I129 M167 H169	D121-L125 WeakPolarHBondContact O-CA 3.36Å; D121-L125 WeakPolarHBondContact O-CB 3.4Å; D121-L125 PolarHBondContact O-N 3.13Å; K122-L125 PolarHBondContact O-N 3.19Å; L125-R127 PolarHBondContact O-N 3.03Å; L125-C128 CarbonylContact O-C 3.6Å; L125-C128 PolarHBondContact O-N 3.37Å; L125-C128 VanDerWaalsContact O-N 3.15Å; L125-I129 HydrophobicContact CD1-CD1 4.27Å; L125-I129 HydrophobicContact CD1-CG1 4.47Å; L125-I129 HydrophobicContact CG-CD1 3.93Å; L125-I129 WeakPolarHBondContact O-CB 3.32Å; L125-I129 WeakPolarHBondContact O-CG1 3.44Å; L125-I129 PolarHBondContact O-N 3.41Å; L125-M167 HydrophobicContact CD1-CE 3.44Å; L125-M167 VanDerWaalsContact CD1-CE 3.44Å; L125-M167 HydrophobicContact CD1-CG 3.77Å; L125-M167 HydrophobicContact CD1-SD 4.38Å; L125-H169 HydrophobicContact CD1-CB 4.27Å
126	N	82.9	Confident	81.8	Confident	121 Å²	121	64 Å²	64	65%	0.647	34%	0.344	S	S	*	.	H	α-helix	trans	-60.3	-35.8	176.2	-70.1	-15.5	0	0	0	111.2	K122 A130	K122-N126 PolarHBondContact O-N 3.33Å; N126-A130 WeakPolarHBondContact O-CB 3.24Å; N126-A130 PolarHBondContact O-N 3.17Å
127	R	85.1	Confident	82.1	Confident	169 Å²	169	63.1 Å²	63.1	64%	0.638	34%	0.339	S	S	*	.	H	α-helix	trans	-65.9	-50.4	172.9	-177.7	176.5	177.8	153.6	1.8	111.7	L125 I129 A130 D131	L125-R127 PolarHBondContact O-N 3.03Å; R127-I129 VanDerWaalsContact C-N 3.29Å; R127-I129 PolarHBondContact O-N 2.93Å; R127-A130 PolarHBondContact O-N 2.82Å; R127-A130 VanDerWaalsContact O-N 3.16Å; R127-D131 IonicContact NE-OD2 3.35Å; R127-D131 WeakPolarHBondContact O-CB 3.49Å; R127-D131 PolarHBondContact O-N 3.48Å
128	C	88.6	Confident	82.6	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.007	34%	0.341	C	S	.	.	H	α-helix	trans	-60	-39.1	177.1	-77.9	0	0	0	0	111.6	N124 L125 D131 V132 T163	N124-C128 WeakPolarHBondContact O-CA 3.42Å; N124-C128 WeakPolarHBondContact O-CB 3.3Å; N124-C128 PolarHBondContact O-N 3.38Å; N124-C128 PolarHBondContact O-SG 2.97Å; N124-C128 PolarHBondContact OD1-SG 3.42Å; L125-C128 CarbonylContact O-C 3.6Å; L125-C128 PolarHBondContact O-N 3.37Å; L125-C128 VanDerWaalsContact O-N 3.15Å; C128-D131 PolarHBondContact O-N 3.27Å; C128-V132 WeakPolarHBondContact O-CB 3.26Å; C128-V132 WeakPolarHBondContact O-CG2 3.31Å; C128-V132 PolarHBondContact O-N 3.24Å; C128-T163 HydrophobicContact CB-CG2 4.17Å
129	I	91.4	Very high	83.3	Confident	38 Å²	38	59.6 Å²	59.6	20%	0.195	32%	0.322	C	S	.	.	H	α-helix	trans	-61.3	-50.4	175	-69.8	165.7	0	0	0	109.7	L125 R127 D131 V132 V133 M167 L219	L125-I129 HydrophobicContact CD1-CD1 4.27Å; L125-I129 HydrophobicContact CD1-CG1 4.47Å; L125-I129 HydrophobicContact CG-CD1 3.93Å; L125-I129 WeakPolarHBondContact O-CB 3.32Å; L125-I129 WeakPolarHBondContact O-CG1 3.44Å; L125-I129 PolarHBondContact O-N 3.41Å; R127-I129 VanDerWaalsContact C-N 3.29Å; R127-I129 PolarHBondContact O-N 2.93Å; I129-D131 VanDerWaalsContact C-N 3.34Å; I129-D131 PolarHBondContact O-N 3.27Å; I129-V132 PolarHBondContact O-N 2.8Å; I129-V133 HydrophobicContact CG2-CG2 4.39Å; I129-V133 WeakPolarHBondContact O-CB 3.34Å; I129-V133 VanDerWaalsContact O-CG2 3.25Å; I129-V133 WeakPolarHBondContact O-CG2 3.4Å; I129-V133 PolarHBondContact O-N 2.76Å; I129-M167 HydrophobicContact CD1-CE 4.01Å; I129-M167 HydrophobicContact CG1-CE 3.51Å; I129-L219 HydrophobicContact CD1-CD2 3.78Å; I129-L219 HydrophobicContact CG1-CD2 3.86Å; I129-L219 HydrophobicContact CG2-CD1 3.74Å; I129-L219 HydrophobicContact CG2-CD2 4.31Å
130	A	92.8	Very high	84.7	Confident	57 Å²	57	51.2 Å²	51.2	47%	0.471	29%	0.286	S	S	.	.	H	α-helix	trans	-60.3	-44.3	178.3	0	0	0	0	0	111.7	N126 R127 V133 S134	N126-A130 WeakPolarHBondContact O-CB 3.24Å; N126-A130 PolarHBondContact O-N 3.17Å; R127-A130 PolarHBondContact O-N 2.82Å; R127-A130 VanDerWaalsContact O-N 3.16Å; A130-V133 PolarHBondContact O-N 2.84Å; A130-S134 WeakPolarHBondContact O-CB 3.38Å; A130-S134 PolarHBondContact O-N 3.27Å
131	D	94	Very high	86.6	Confident	49 Å²	49	50.9 Å²	50.9	26%	0.262	28%	0.284	S	S	.	.	H	α-helix	trans	-64.3	-45.9	178.7	-67.4	-15.5	0	0	0	111	R127 C128 I129 S134 L135 T163	R127-D131 IonicContact NE-OD2 3.35Å; R127-D131 WeakPolarHBondContact O-CB 3.49Å; R127-D131 PolarHBondContact O-N 3.48Å; C128-D131 PolarHBondContact O-N 3.27Å; I129-D131 VanDerWaalsContact C-N 3.34Å; I129-D131 PolarHBondContact O-N 3.27Å; D131-S134 PolarHBondContact O-N 3.43Å; D131-L135 WeakPolarHBondContact O-CB 3.4Å; D131-L135 WeakPolarHBondContact O-CD1 3.47Å; D131-L135 WeakPolarHBondContact O-CG 3.48Å; D131-L135 PolarHBondContact O-N 3.29Å; D131-T163 HydrophobicContact CB-CG2 3.88Å
132	V	95.4	Very high	88.6	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.5	-48.5	176.8	169	0	0	0	0	111.2	C128 I129 S134 L135 F136 L160 T163 M164 F215	C128-V132 WeakPolarHBondContact O-CB 3.26Å; C128-V132 WeakPolarHBondContact O-CG2 3.31Å; C128-V132 PolarHBondContact O-N 3.24Å; I129-V132 PolarHBondContact O-N 2.8Å; V132-S134 VanDerWaalsContact C-N 3.33Å; V132-S134 PolarHBondContact O-N 3.35Å; V132-L135 PolarHBondContact O-N 3.13Å; V132-F136 HydrophobicContact CG1-CD2 3.67Å; V132-F136 HydrophobicContact CG1-CE2 3.61Å; V132-F136 VanDerWaalsContact O-CD2 3.28Å; V132-F136 WeakPolarHBondContact O-CD2 3.11Å; V132-F136 PolarHBondContact O-N 2.77Å; V132-L160 HydrophobicContact CB-CD1 4.35Å; V132-L160 HydrophobicContact CG1-CD1 3.91Å; V132-L160 HydrophobicContact CG2-CD1 4.46Å; V132-T163 HydrophobicContact CG2-CG2 3.61Å; V132-M164 HydrophobicContact CG1-CG 4.25Å; V132-M164 HydrophobicContact CG2-CG 3.95Å; V132-F215 HydrophobicContact CB-CE1 4.08Å; V132-F215 HydrophobicContact CB-CZ 3.96Å; V132-F215 HydrophobicContact CG1-CD1 3.92Å; V132-F215 HydrophobicContact CG1-CD2 4.25Å; V132-F215 HydrophobicContact CG1-CE1 3.57Å; V132-F215 HydrophobicContact CG1-CE2 3.94Å; V132-F215 HydrophobicContact CG1-CG 4.24Å; V132-F215 HydrophobicContact CG1-CZ 3.59Å; V132-F215 HydrophobicContact CG2-CZ 4.43Å
133	V	96.3	Very high	90.7	Very high	32 Å²	32	44.9 Å²	44.9	19%	0.194	26%	0.255	C	S	.	.	H	α-helix	trans	-60.3	-46.1	177.7	169.4	0	0	0	0	110.4	I129 A130 F136 I137 Y212 F215	I129-V133 HydrophobicContact CG2-CG2 4.39Å; I129-V133 WeakPolarHBondContact O-CB 3.34Å; I129-V133 VanDerWaalsContact O-CG2 3.25Å; I129-V133 WeakPolarHBondContact O-CG2 3.4Å; I129-V133 PolarHBondContact O-N 2.76Å; A130-V133 PolarHBondContact O-N 2.84Å; V133-F136 PolarHBondContact O-N 3.29Å; V133-I137 HydrophobicContact CG1-CD1 3.93Å; V133-I137 WeakPolarHBondContact O-CG1 3.27Å; V133-I137 PolarHBondContact O-N 3.33Å; V133-I137 VanDerWaalsContact O-N 3.14Å; V133-Y212 HydrophobicContact CB-CE2 4.35Å; V133-Y212 HydrophobicContact CG1-CE2 4.06Å; V133-Y212 HydrophobicContact CG2-CE2 4.17Å; V133-F215 HydrophobicContact CG2-CD1 4.43Å; V133-F215 HydrophobicContact CG2-CE1 4.1Å
134	S	97.3	Very high	92.7	Very high	64 Å²	64	47.9 Å²	47.9	45%	0.448	25%	0.246	S	C	.	.	H	α-helix	trans	-59.8	-49	177.9	-172	0	0	0	0	111.2	A130 D131 V132 F136 I137 T138	A130-S134 WeakPolarHBondContact O-CB 3.38Å; A130-S134 PolarHBondContact O-N 3.27Å; D131-S134 PolarHBondContact O-N 3.43Å; V132-S134 VanDerWaalsContact C-N 3.33Å; V132-S134 PolarHBondContact O-N 3.35Å; S134-F136 PolarHBondContact O-N 3.5Å; S134-I137 PolarHBondContact O-N 2.75Å; S134-T138 WeakPolarHBondContact O-CB 3.49Å; S134-T138 PolarHBondContact O-N 3.25Å; S134-T138 PolarHBondContact O-OG1 2.83Å
135	L	98.1	Very high	94.2	Very high	15 Å²	15	51.3 Å²	51.3	8%	0.079	26%	0.264	C	S	.	.	H	α-helix	trans	-66.4	-38	-177.3	-72.9	161.8	0	0	0	112.5	D131 V132 I137 T138 V139 D156 E159 L160	D131-L135 WeakPolarHBondContact O-CB 3.4Å; D131-L135 WeakPolarHBondContact O-CD1 3.47Å; D131-L135 WeakPolarHBondContact O-CG 3.48Å; D131-L135 PolarHBondContact O-N 3.29Å; V132-L135 PolarHBondContact O-N 3.13Å; L135-I137 PolarHBondContact O-N 3.49Å; L135-T138 PolarHBondContact O-N 3.3Å; L135-V139 VanDerWaalsContact O-CG2 3.31Å; L135-V139 WeakPolarHBondContact O-CG2 3.46Å; L135-V139 PolarHBondContact O-N 2.61Å; L135-D156 HydrophobicContact CD2-CB 4.34Å; L135-E159 HydrophobicContact CD1-CB 4.18Å; L135-E159 HydrophobicContact CD1-CG 3.8Å; L135-E159 HydrophobicContact CD2-CB 4.28Å; L135-E159 HydrophobicContact CD2-CG 4.37Å; L135-L160 HydrophobicContact CB-CB 4.02Å; L135-L160 HydrophobicContact CB-CD1 3.95Å; L135-L160 HydrophobicContact CB-CG 4.47Å; L135-L160 HydrophobicContact CD1-CB 4.36Å
136	F	98.2	Very high	95.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-57.4	-49.3	170.8	-90.6	-64.5	0	0	0	111.3	V132 V133 S134 M140 L160 M164 V180 L208 A211 Y212	V132-F136 HydrophobicContact CG1-CD2 3.67Å; V132-F136 HydrophobicContact CG1-CE2 3.61Å; V132-F136 VanDerWaalsContact O-CD2 3.28Å; V132-F136 WeakPolarHBondContact O-CD2 3.11Å; V132-F136 PolarHBondContact O-N 2.77Å; V133-F136 PolarHBondContact O-N 3.29Å; S134-F136 PolarHBondContact O-N 3.5Å; F136-M140 HydrophobicContact CB-CE 4.33Å; F136-M140 WeakPolarHBondContact O-CB 3.32Å; F136-M140 WeakPolarHBondContact O-CE 3.28Å; F136-M140 VanDerWaalsContact O-CG 3.29Å; F136-M140 WeakPolarHBondContact O-CG 3.33Å; F136-M140 PolarHBondContact O-N 3.37Å; F136-M140 VanDerWaalsContact O-N 3.07Å; F136-L160 HydrophobicContact CD1-CD2 3.83Å; F136-L160 HydrophobicContact CD2-CD1 3.8Å; F136-L160 HydrophobicContact CD2-CD2 4.37Å; F136-L160 HydrophobicContact CE1-CD2 3.79Å; F136-L160 HydrophobicContact CE2-CD1 3.84Å; F136-L160 HydrophobicContact CE2-CD2 4.35Å; F136-L160 HydrophobicContact CG-CD1 4.24Å; F136-L160 HydrophobicContact CG-CD2 4.12Å; F136-L160 HydrophobicContact CZ-CD1 4.31Å; F136-L160 HydrophobicContact CZ-CD2 4.06Å; F136-M164 HydrophobicContact CE2-SD 4.42Å; F136-M164 HydrophobicContact CZ-SD 4.37Å; F136-V180 HydrophobicContact CE1-CG2 4.37Å; F136-V180 HydrophobicContact CZ-CG2 4.46Å; F136-L208 HydrophobicContact CD1-CD2 4.35Å; F136-L208 HydrophobicContact CE1-CD2 4.06Å; F136-A211 HydrophobicContact CE1-CB 3.94Å; F136-A211 HydrophobicContact CZ-CB 4.03Å; F136-Y212 HydrophobicContact CB-CD2 3.69Å; F136-Y212 HydrophobicContact CB-CE2 4.3Å; F136-Y212 HydrophobicContact CB-CG 4.28Å; F136-Y212 AromaticContact CD2-CD2 3.77Å; F136-Y212 HydrophobicContact CD2-CD2 3.77Å; F136-Y212 AromaticContact CG-CD2 3.8Å; F136-Y212 HydrophobicContact CG-CD2 3.8Å; F136-Y212 HydrophobicContact CG-CG 4.32Å
137	I	97.8	Very high	95.9	Very high	67 Å²	67	53.1 Å²	53.1	34%	0.344	27%	0.268	S	S	.	.	H	α-helix	trans	-62.3	-47.8	178.7	-66	167.5	0	0	0	110.3	V133 S134 L135 V139 M140 D141	V133-I137 HydrophobicContact CG1-CD1 3.93Å; V133-I137 WeakPolarHBondContact O-CG1 3.27Å; V133-I137 PolarHBondContact O-N 3.33Å; V133-I137 VanDerWaalsContact O-N 3.14Å; S134-I137 PolarHBondContact O-N 2.75Å; L135-I137 PolarHBondContact O-N 3.49Å; I137-V139 PolarHBondContact O-N 3.14Å; I137-M140 PolarHBondContact O-N 3.28Å; I137-D141 WeakPolarHBondContact CG2-OD2 3.45Å; I137-D141 VanDerWaalsContact O-CB 3.31Å; I137-D141 WeakPolarHBondContact O-CB 3.14Å; I137-D141 VanDerWaalsContact O-CG 3.27Å; I137-D141 PolarHBondContact O-N 2.93Å
138	T	98.2	Very high	96.4	Very high	51 Å²	51	47 Å²	47	31%	0.313	25%	0.245	S	C	.	.	H	α-helix	trans	-57.6	-49.2	-179.6	-60.1	0	0	0	0	112.1	S134 L135 D141 K142 D156	S134-T138 WeakPolarHBondContact O-CB 3.49Å; S134-T138 PolarHBondContact O-N 3.25Å; S134-T138 PolarHBondContact O-OG1 2.83Å; L135-T138 PolarHBondContact O-N 3.3Å; T138-D141 PolarHBondContact O-N 2.85Å; T138-K142 WeakPolarHBondContact O-CG 3.25Å; T138-K142 PolarHBondContact O-N 3.04Å; T138-D156 WeakPolarHBondContact CG2-OD2 3.36Å
139	V	98	Very high	96.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.8	-45.3	179.5	176	0	0	0	0	110.8	L135 I137 D141 K142 L143 I153 D156 L157 M204 L208	L135-V139 VanDerWaalsContact O-CG2 3.31Å; L135-V139 WeakPolarHBondContact O-CG2 3.46Å; L135-V139 PolarHBondContact O-N 2.61Å; I137-V139 PolarHBondContact O-N 3.14Å; V139-D141 VanDerWaalsContact C-N 3.32Å; V139-D141 PolarHBondContact O-N 3.18Å; V139-K142 PolarHBondContact O-N 3.16Å; V139-L143 HydrophobicContact CG1-CD1 4.39Å; V139-L143 WeakPolarHBondContact O-CG 3.42Å; V139-L143 PolarHBondContact O-N 2.89Å; V139-L143 VanDerWaalsContact O-N 3.17Å; V139-I153 HydrophobicContact CG1-CG2 4.34Å; V139-D156 HydrophobicContact CG2-CB 3.54Å; V139-L157 HydrophobicContact CG1-CD1 4.41Å; V139-M204 HydrophobicContact CG1-CE 3.86Å; V139-L208 HydrophobicContact CB-CD1 4.37Å; V139-L208 HydrophobicContact CG1-CD1 3.57Å
140	M	98.4	Very high	97.1	Very high	10 Å²	10	46.9 Å²	46.9	5%	0.049	25%	0.246	C	C	.	.	H	α-helix	trans	-62.5	-39.2	177.8	-72.2	-171.8	-68.9	0	0	112.3	F136 I137 L143 R144 L205 L208 E209 Y212	F136-M140 HydrophobicContact CB-CE 4.33Å; F136-M140 WeakPolarHBondContact O-CB 3.32Å; F136-M140 WeakPolarHBondContact O-CE 3.28Å; F136-M140 VanDerWaalsContact O-CG 3.29Å; F136-M140 WeakPolarHBondContact O-CG 3.33Å; F136-M140 PolarHBondContact O-N 3.37Å; F136-M140 VanDerWaalsContact O-N 3.07Å; I137-M140 PolarHBondContact O-N 3.28Å; M140-L143 PolarHBondContact O-N 3.48Å; M140-R144 WeakPolarHBondContact O-CG 3.32Å; M140-R144 PolarHBondContact O-N 3.35Å; M140-L205 HydrophobicContact CB-CD2 3.96Å; M140-L205 HydrophobicContact CG-CD2 4.14Å; M140-L205 WeakPolarHBondContact O-CD2 3.47Å; M140-L208 HydrophobicContact CG-CB 4.06Å; M140-L208 HydrophobicContact CG-CD1 4.32Å; M140-L208 HydrophobicContact SD-CB 4.37Å; M140-E209 HydrophobicContact SD-CB 4.28Å; M140-Y212 HydrophobicContact CE-CD1 4.41Å; M140-Y212 HydrophobicContact CE-CG 4.46Å
141	D	98.3	Very high	97.3	Very high	66 Å²	66	48.2 Å²	48.2	35%	0.353	25%	0.245	S	C	.	.	H	α-helix	trans	-72.2	-38.4	-180	-73.3	-11.1	0	0	0	111.9	I137 T138 V139 L143 R144 L145	I137-D141 WeakPolarHBondContact CG2-OD2 3.45Å; I137-D141 VanDerWaalsContact O-CB 3.31Å; I137-D141 WeakPolarHBondContact O-CB 3.14Å; I137-D141 VanDerWaalsContact O-CG 3.27Å; I137-D141 PolarHBondContact O-N 2.93Å; T138-D141 PolarHBondContact O-N 2.85Å; V139-D141 VanDerWaalsContact C-N 3.32Å; V139-D141 PolarHBondContact O-N 3.18Å; D141-L143 VanDerWaalsContact C-N 3.31Å; D141-L143 PolarHBondContact O-N 3.18Å; D141-R144 PolarHBondContact O-N 3.24Å; D141-R144 IonicContact OD1-NH1 3.48Å; D141-R144 PolarHBondContact OD1-NH1 3.22Å; D141-L145 WeakPolarHBondContact O-CB 3.21Å; D141-L145 VanDerWaalsContact O-CG 3.26Å; D141-L145 WeakPolarHBondContact O-CG 3.45Å; D141-L145 PolarHBondContact O-N 2.72Å
142	K	98.1	Very high	97.5	Very high	47 Å²	47	50.4 Å²	50.4	20%	0.204	25%	0.254	C	S	.	.	H	α-helix	trans	-53.8	-49.8	170.4	-80.6	-175.7	169.5	-179.8	0	111.2	T138 V139 R144 L145 E146 I147 E152 I153 D156	T138-K142 WeakPolarHBondContact O-CG 3.25Å; T138-K142 PolarHBondContact O-N 3.04Å; V139-K142 PolarHBondContact O-N 3.16Å; K142-R144 VanDerWaalsContact C-N 3.34Å; K142-R144 PolarHBondContact O-N 3.22Å; K142-L145 CarbonylContact O-C 3.56Å; K142-L145 PolarHBondContact O-N 3.42Å; K142-L145 VanDerWaalsContact O-N 3.15Å; K142-E146 PolarHBondContact O-N 2.93Å; K142-I147 HydrophobicContact CB-CB 4.11Å; K142-I147 HydrophobicContact CB-CD1 4.4Å; K142-I147 HydrophobicContact CB-CG2 4.38Å; K142-I147 HydrophobicContact CG-CD1 4.1Å; K142-I147 WeakPolarHBondContact O-CB 3.33Å; K142-I147 PolarHBondContact O-N 3.34Å; K142-E152 PolarHBondContact NZ-O 3.4Å; K142-I153 HydrophobicContact CB-CD1 3.65Å; K142-I153 HydrophobicContact CD-CD1 4.01Å; K142-I153 HydrophobicContact CG-CD1 4.48Å; K142-D156 WeakPolarHBondContact CD-OD2 3.43Å; K142-D156 WeakPolarHBondContact CE-OD2 3.36Å; K142-D156 IonicContact NZ-OD1 3.51Å; K142-D156 IonicContact NZ-OD2 3.29Å; K142-D156 PolarHBondContact NZ-OD2 2.91Å
143	L	97.9	Very high	97.6	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-60.9	-40.2	178.1	-68.1	173.4	0	0	0	112.6	V139 M140 D141 L145 E146 I153 L196 V201 M204 L205 L208	V139-L143 HydrophobicContact CG1-CD1 4.39Å; V139-L143 WeakPolarHBondContact O-CG 3.42Å; V139-L143 PolarHBondContact O-N 2.89Å; V139-L143 VanDerWaalsContact O-N 3.17Å; M140-L143 PolarHBondContact O-N 3.48Å; D141-L143 VanDerWaalsContact C-N 3.31Å; D141-L143 PolarHBondContact O-N 3.18Å; L143-L145 VanDerWaalsContact C-N 3.32Å; L143-E146 PolarHBondContact O-N 2.93Å; L143-I153 HydrophobicContact CD2-CD1 4.05Å; L143-I153 HydrophobicContact CD2-CG1 4.37Å; L143-I153 HydrophobicContact CG-CD1 4.37Å; L143-L196 HydrophobicContact CD2-CD1 4.03Å; L143-V201 HydrophobicContact CB-CG1 4.22Å; L143-V201 HydrophobicContact CD2-CG1 4.46Å; L143-V201 HydrophobicContact CD2-CG2 4.34Å; L143-M204 HydrophobicContact CD1-CB 4.16Å; L143-M204 HydrophobicContact CD1-CE 4.22Å; L143-M204 HydrophobicContact CD1-CG 3.76Å; L143-M204 HydrophobicContact CD1-SD 3.82Å; L143-M204 HydrophobicContact CD2-SD 4.31Å; L143-L205 HydrophobicContact CB-CD1 4.42Å; L143-L205 HydrophobicContact CB-CD2 3.95Å; L143-L205 HydrophobicContact CB-CG 4.1Å; L143-L205 HydrophobicContact CD1-CD2 4.11Å; L143-L205 HydrophobicContact CD1-CG 4.12Å; L143-L208 HydrophobicContact CD1-CD1 4.31Å
144	R	97.8	Very high	97.6	Very high	128 Å²	128	50.2 Å²	50.2	48%	0.483	25%	0.251	S	S	.	.	H	α-helix	trans	-69.2	-28.4	176.5	-73.1	174.3	-177.8	130.6	2.3	113.5	M140 D141 K142 E146 L205	M140-R144 WeakPolarHBondContact O-CG 3.32Å; M140-R144 PolarHBondContact O-N 3.35Å; D141-R144 PolarHBondContact O-N 3.24Å; D141-R144 IonicContact OD1-NH1 3.48Å; D141-R144 PolarHBondContact OD1-NH1 3.22Å; K142-R144 VanDerWaalsContact C-N 3.34Å; K142-R144 PolarHBondContact O-N 3.22Å; R144-E146 PolarHBondContact O-N 3Å; R144-L205 HydrophobicContact CG-CD1 4.25Å; R144-L205 HydrophobicContact CG-CD2 4.19Å
145	L	97.9	Very high	97.6	Very high	129 Å²	129	50.2 Å²	50.2	68%	0.675	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	10.5	175.2	-68.3	172.5	0	0	0	112.9	D141 K142 L143 I147	D141-L145 WeakPolarHBondContact O-CB 3.21Å; D141-L145 VanDerWaalsContact O-CG 3.26Å; D141-L145 WeakPolarHBondContact O-CG 3.45Å; D141-L145 PolarHBondContact O-N 2.72Å; K142-L145 CarbonylContact O-C 3.56Å; K142-L145 PolarHBondContact O-N 3.42Å; K142-L145 VanDerWaalsContact O-N 3.15Å; L143-L145 VanDerWaalsContact C-N 3.32Å; L145-I147 HydrophobicContact CB-CD1 4.42Å; L145-I147 PolarHBondContact O-N 3.33Å
146	E	96.5	Very high	97.6	Very high	141 Å²	141	50.8 Å²	50.8	66%	0.659	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	23.5	-178.2	-50.3	-168.8	136.7	0	0	114.2	K142 L143 R144 R148	K142-E146 PolarHBondContact O-N 2.93Å; L143-E146 PolarHBondContact O-N 2.93Å; R144-E146 PolarHBondContact O-N 3Å; E146-R148 PolarHBondContact O-N 2.92Å; E146-R148 IonicContact OE1-NH2 3.68Å; E146-R148 PolarHBondContact OE1-NH2 3.48Å
147	I	97.3	Very high	97.5	Very high	47 Å²	47	50.8 Å²	50.8	24%	0.241	25%	0.252	C	S	.	.			trans	-81	110.5	166	-59.9	165.7	0	0	0	107.1	K142 L145 E152 I153	K142-I147 HydrophobicContact CB-CB 4.11Å; K142-I147 HydrophobicContact CB-CD1 4.4Å; K142-I147 HydrophobicContact CB-CG2 4.38Å; K142-I147 HydrophobicContact CG-CD1 4.1Å; K142-I147 WeakPolarHBondContact O-CB 3.33Å; K142-I147 PolarHBondContact O-N 3.34Å; L145-I147 HydrophobicContact CB-CD1 4.42Å; L145-I147 PolarHBondContact O-N 3.33Å; I147-E152 HydrophobicContact CG2-CB 3.62Å; I147-E152 HydrophobicContact CG2-CG 4.25Å; I147-E152 WeakPolarHBondContact CG2-OE2 3.28Å; I147-I153 HydrophobicContact CG2-CD1 4.31Å; I147-I153 WeakPolarHBondContact O-CD1 3Å
148	R	97	Very high	97.5	Very high	40 Å²	40	52.3 Å²	52.3	15%	0.151	25%	0.254	C	S	.	.			trans	-128.6	-7.8	-167.4	-59.5	173.1	-170.6	-151	4.1	114	E146 E195 L196 D198 V201	E146-R148 PolarHBondContact O-N 2.92Å; E146-R148 IonicContact OE1-NH2 3.68Å; E146-R148 PolarHBondContact OE1-NH2 3.48Å; R148-E195 HydrophobicContact CB-CB 4.14Å; R148-E195 HydrophobicContact CB-CG 4.42Å; R148-E195 WeakPolarHBondContact O-CA 3.4Å; R148-L196 HydrophobicContact CB-CB 4.48Å; R148-L196 PolarHBondContact O-N 3.47Å; R148-D198 IonicContact CZ-OD1 3.68Å; R148-D198 VanDerWaalsContact CZ-OD1 3.31Å; R148-D198 IonicContact NH1-OD1 2.67Å; R148-D198 PolarHBondContact NH1-OD1 3.47Å; R148-D198 IonicContact NH2-OD1 2.8Å; R148-D198 PolarHBondContact NH2-OD1 3.22Å; R148-V201 HydrophobicContact CG-CG2 3.96Å
149	A	97.4	Very high	97.4	Very high	10 Å²	10	54.3 Å²	54.3	8%	0.083	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-66.7	140	-178.1	0	0	0	0	0	111.3	D151 E152 I153 E195	A149-D151 VanDerWaalsContact C-N 3.3Å; A149-D151 WeakPolarHBondContact CB-OD1 3.43Å; A149-D151 PolarHBondContact O-N 3.48Å; A149-E152 HydrophobicContact CB-CB 4.37Å; A149-E152 HydrophobicContact CB-CG 4.15Å; A149-E152 PolarHBondContact O-N 3.27Å; A149-E152 VanDerWaalsContact O-N 3.14Å; A149-I153 WeakPolarHBondContact O-CG1 3.34Å; A149-I153 PolarHBondContact O-N 2.98Å; A149-I153 VanDerWaalsContact O-N 3.12Å; A149-E195 HydrophobicContact CB-CG 4.35Å
150	M	96.7	Very high	97.4	Very high	27 Å²	27	54.3 Å²	54.3	13%	0.133	26%	0.259	C	S	.	.	H	α-helix	trans	-54.2	-46.7	-178.6	179.7	-73.1	-136.5	0	0	111.9	E152 I153 Q154 L187 M190 S191 D194	M150-E152 VanDerWaalsContact C-N 3.26Å; M150-E152 PolarHBondContact O-N 3Å; M150-I153 PolarHBondContact O-N 3.01Å; M150-Q154 WeakPolarHBondContact O-CB 3.29Å; M150-Q154 PolarHBondContact O-N 2.94Å; M150-Q154 HydrophobicContact SD-CB 4.05Å; M150-L187 HydrophobicContact CB-CD2 4.48Å; M150-L187 WeakPolarHBondContact CE-O 3.49Å; M150-L187 HydrophobicContact CG-CB 4.33Å; M150-L187 HydrophobicContact CG-CD2 4.33Å; M150-L187 VanDerWaalsContact CG-O 3.3Å; M150-L187 WeakPolarHBondContact CG-O 3.33Å; M150-M190 HydrophobicContact CB-CB 4.26Å; M150-M190 VanDerWaalsContact CE-O 3.23Å; M150-M190 WeakPolarHBondContact CE-O 3.41Å; M150-M190 HydrophobicContact CG-CB 3.92Å; M150-S191 WeakPolarHBondContact CB-O 3.3Å; M150-D194 WeakPolarHBondContact CB-O 3.45Å; M150-D194 PolarHBondContact N-O 3.28Å
151	D	97.1	Very high	97.3	Very high	86 Å²	86	55 Å²	55	46%	0.46	26%	0.263	S	S	.	.	H	α-helix	trans	-70	-21.4	-177.7	66.2	-22.5	0	0	0	113.8	A149 P155 A192	A149-D151 VanDerWaalsContact C-N 3.3Å; A149-D151 WeakPolarHBondContact CB-OD1 3.43Å; A149-D151 PolarHBondContact O-N 3.48Å; D151-P155 WeakPolarHBondContact O-CD 3.44Å; D151-P155 VanDerWaalsContact O-CG 3.23Å; D151-P155 WeakPolarHBondContact O-CG 3.42Å; D151-A192 HydrophobicContact CB-CB 3.93Å; D151-A192 PolarHBondContact N-O 2.89Å; D151-A192 VanDerWaalsContact OD1-O 3.13Å
152	E	97.1	Very high	96.9	Very high	94 Å²	94	56.5 Å²	56.5	44%	0.439	27%	0.268	S	S	.	.	H	α-helix	trans	-86.2	-29.1	175.2	-64.3	-164.8	96.8	0	0	113.4	K142 I147 A149 M150	K142-E152 PolarHBondContact NZ-O 3.4Å; I147-E152 HydrophobicContact CG2-CB 3.62Å; I147-E152 HydrophobicContact CG2-CG 4.25Å; I147-E152 WeakPolarHBondContact CG2-OE2 3.28Å; A149-E152 HydrophobicContact CB-CB 4.37Å; A149-E152 HydrophobicContact CB-CG 4.15Å; A149-E152 PolarHBondContact O-N 3.27Å; A149-E152 VanDerWaalsContact O-N 3.14Å; M150-E152 VanDerWaalsContact C-N 3.26Å; M150-E152 PolarHBondContact O-N 3Å
153	I	97.4	Very high	96.6	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-95.8	-41.5	-176.6	-60.5	-62.6	0	0	0	112.6	V139 K142 L143 I147 A149 M150 D156 L157 L187 M204	V139-I153 HydrophobicContact CG1-CG2 4.34Å; K142-I153 HydrophobicContact CB-CD1 3.65Å; K142-I153 HydrophobicContact CD-CD1 4.01Å; K142-I153 HydrophobicContact CG-CD1 4.48Å; L143-I153 HydrophobicContact CD2-CD1 4.05Å; L143-I153 HydrophobicContact CD2-CG1 4.37Å; L143-I153 HydrophobicContact CG-CD1 4.37Å; I147-I153 HydrophobicContact CG2-CD1 4.31Å; I147-I153 WeakPolarHBondContact O-CD1 3Å; A149-I153 WeakPolarHBondContact O-CG1 3.34Å; A149-I153 PolarHBondContact O-N 2.98Å; A149-I153 VanDerWaalsContact O-N 3.12Å; M150-I153 PolarHBondContact O-N 3.01Å; I153-D156 PolarHBondContact O-N 3.32Å; I153-L157 PolarHBondContact O-N 3.44Å; I153-L187 HydrophobicContact CB-CD1 4.42Å; I153-L187 HydrophobicContact CG2-CD1 3.87Å; I153-M204 HydrophobicContact CG2-CE 3.78Å
154	Q	96.8	Very high	96.3	Very high	29 Å²	29	54.1 Å²	54.1	14%	0.136	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-40.9	-171.9	-170.7	-100.1	59.9	0	0	114.3	M150 D156 L157 R158 L184 L187	M150-Q154 WeakPolarHBondContact O-CB 3.29Å; M150-Q154 PolarHBondContact O-N 2.94Å; M150-Q154 HydrophobicContact SD-CB 4.05Å; Q154-D156 PolarHBondContact O-N 3.45Å; Q154-L157 PolarHBondContact O-N 2.99Å; Q154-R158 WeakPolarHBondContact O-CB 3.39Å; Q154-R158 PolarHBondContact O-N 3.39Å; Q154-R158 VanDerWaalsContact OE1-NE 3.11Å; Q154-L184 HydrophobicContact CG-CD2 4.05Å; Q154-L187 HydrophobicContact CB-CB 4.29Å; Q154-L187 HydrophobicContact CB-CD1 4.16Å; Q154-L187 HydrophobicContact CG-CB 4.22Å
155	P	97.4	Very high	95.7	Very high	63 Å²	63	53.4 Å²	53.4	41%	0.409	26%	0.259	S	S	.	.	H	α-helix	trans	-58.9	-46	-179	-26.8	36.4	0	0	0	113.2	D151 R158 E159	D151-P155 WeakPolarHBondContact O-CD 3.44Å; D151-P155 VanDerWaalsContact O-CG 3.23Å; D151-P155 WeakPolarHBondContact O-CG 3.42Å; P155-R158 WeakPolarHBondContact O-CB 3.48Å; P155-R158 PolarHBondContact O-N 2.99Å; P155-E159 PolarHBondContact O-N 2.89Å
156	D	97.9	Very high	95	Very high	27 Å²	27	52.6 Å²	52.6	14%	0.144	25%	0.247	C	C	.	.	H	α-helix	trans	-67.3	-39.5	179.7	-65	-10	0	0	0	111.2	L135 T138 V139 K142 I153 Q154 R158 E159 L160	L135-D156 HydrophobicContact CD2-CB 4.34Å; T138-D156 WeakPolarHBondContact CG2-OD2 3.36Å; V139-D156 HydrophobicContact CG2-CB 3.54Å; K142-D156 WeakPolarHBondContact CD-OD2 3.43Å; K142-D156 WeakPolarHBondContact CE-OD2 3.36Å; K142-D156 IonicContact NZ-OD1 3.51Å; K142-D156 IonicContact NZ-OD2 3.29Å; K142-D156 PolarHBondContact NZ-OD2 2.91Å; I153-D156 PolarHBondContact O-N 3.32Å; Q154-D156 PolarHBondContact O-N 3.45Å; D156-R158 VanDerWaalsContact C-N 3.28Å; D156-R158 PolarHBondContact O-N 3.47Å; D156-E159 PolarHBondContact O-N 3.38Å; D156-L160 WeakPolarHBondContact O-CB 3.19Å; D156-L160 PolarHBondContact O-N 2.92Å
157	L	97.2	Very high	94.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.1	-34.3	177.8	-165.7	71.5	0	0	0	111.6	V139 I153 Q154 L160 M161 V180 W183 L184 L187 M204 L208	V139-L157 HydrophobicContact CG1-CD1 4.41Å; I153-L157 PolarHBondContact O-N 3.44Å; Q154-L157 PolarHBondContact O-N 2.99Å; L157-L160 HydrophobicContact CD1-CD2 4.28Å; L157-L160 WeakPolarHBondContact O-CB 3.49Å; L157-M161 PolarHBondContact O-N 3.43Å; L157-M161 VanDerWaalsContact O-N 3.09Å; L157-V180 HydrophobicContact CD1-CG1 3.86Å; L157-V180 HydrophobicContact CD1-CG2 4.42Å; L157-V180 HydrophobicContact CG-CG1 3.94Å; L157-W183 HydrophobicContact CD2-CB 3.63Å; L157-L184 HydrophobicContact CB-CD2 4Å; L157-L184 HydrophobicContact CB-CG 4.42Å; L157-L184 HydrophobicContact CD2-CB 4.44Å; L157-L184 HydrophobicContact CD2-CD2 3.92Å; L157-L184 HydrophobicContact CD2-CG 3.73Å; L157-L184 HydrophobicContact CG-CD2 4Å; L157-L184 HydrophobicContact CG-CG 3.88Å; L157-L187 HydrophobicContact CD2-CD1 3.84Å; L157-M204 HydrophobicContact CD1-CE 4.07Å; L157-M204 HydrophobicContact CD2-CE 3.91Å; L157-L208 HydrophobicContact CD1-CD2 4.13Å
158	R	97.2	Very high	93.3	Very high	100 Å²	100	47.4 Å²	47.4	38%	0.377	23%	0.23	S	C	.	.	H	α-helix	trans	-68.2	-46.8	174.8	177.4	-179.3	-60.9	-78.3	-4.4	110.6	Q154 P155 D156 L160 M161 E162 L184	Q154-R158 WeakPolarHBondContact O-CB 3.39Å; Q154-R158 PolarHBondContact O-N 3.39Å; Q154-R158 VanDerWaalsContact OE1-NE 3.11Å; P155-R158 WeakPolarHBondContact O-CB 3.48Å; P155-R158 PolarHBondContact O-N 2.99Å; D156-R158 VanDerWaalsContact C-N 3.28Å; D156-R158 PolarHBondContact O-N 3.47Å; R158-L160 VanDerWaalsContact C-N 3.27Å; R158-L160 PolarHBondContact O-N 3.01Å; R158-M161 PolarHBondContact O-N 3.18Å; R158-E162 WeakPolarHBondContact O-CG 3.42Å; R158-E162 PolarHBondContact O-N 3.44Å; R158-L184 HydrophobicContact CB-CD2 4.06Å
159	E	96.4	Very high	92.4	Very high	92 Å²	92	50.6 Å²	50.6	43%	0.43	25%	0.247	S	C	.	.	H	α-helix	trans	-61.4	-38.3	176.4	-170.1	172.7	-170.5	0	0	111.5	L135 P155 D156 M161 E162 T163	L135-E159 HydrophobicContact CD1-CB 4.18Å; L135-E159 HydrophobicContact CD1-CG 3.8Å; L135-E159 HydrophobicContact CD2-CB 4.28Å; L135-E159 HydrophobicContact CD2-CG 4.37Å; P155-E159 PolarHBondContact O-N 2.89Å; D156-E159 PolarHBondContact O-N 3.38Å; E159-M161 PolarHBondContact O-N 2.89Å; E159-E162 PolarHBondContact O-N 2.99Å; E159-T163 VanDerWaalsContact O-CB 3.31Å; E159-T163 WeakPolarHBondContact O-CB 3.39Å; E159-T163 PolarHBondContact O-N 2.89Å; E159-T163 PolarHBondContact O-OG1 2.84Å
160	L	97.3	Very high	91.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.9	-48.5	173.9	176.7	59.3	0	0	0	110.9	V132 L135 F136 D156 L157 R158 T163 M164 V180	V132-L160 HydrophobicContact CB-CD1 4.35Å; V132-L160 HydrophobicContact CG1-CD1 3.91Å; V132-L160 HydrophobicContact CG2-CD1 4.46Å; L135-L160 HydrophobicContact CB-CB 4.02Å; L135-L160 HydrophobicContact CB-CD1 3.95Å; L135-L160 HydrophobicContact CB-CG 4.47Å; L135-L160 HydrophobicContact CD1-CB 4.36Å; F136-L160 HydrophobicContact CD1-CD2 3.83Å; F136-L160 HydrophobicContact CD2-CD1 3.8Å; F136-L160 HydrophobicContact CD2-CD2 4.37Å; F136-L160 HydrophobicContact CE1-CD2 3.79Å; F136-L160 HydrophobicContact CE2-CD1 3.84Å; F136-L160 HydrophobicContact CE2-CD2 4.35Å; F136-L160 HydrophobicContact CG-CD1 4.24Å; F136-L160 HydrophobicContact CG-CD2 4.12Å; F136-L160 HydrophobicContact CZ-CD1 4.31Å; F136-L160 HydrophobicContact CZ-CD2 4.06Å; D156-L160 WeakPolarHBondContact O-CB 3.19Å; D156-L160 PolarHBondContact O-N 2.92Å; L157-L160 HydrophobicContact CD1-CD2 4.28Å; L157-L160 WeakPolarHBondContact O-CB 3.49Å; R158-L160 VanDerWaalsContact C-N 3.27Å; R158-L160 PolarHBondContact O-N 3.01Å; L160-T163 PolarHBondContact O-N 3.42Å; L160-M164 HydrophobicContact CD1-CG 4.42Å; L160-M164 HydrophobicContact CG-CE 4.19Å; L160-M164 WeakPolarHBondContact O-CG 3.19Å; L160-M164 PolarHBondContact O-N 3.32Å; L160-V180 HydrophobicContact CD2-CG1 4.44Å; L160-V180 HydrophobicContact CD2-CG2 3.84Å; L160-V180 HydrophobicContact CG-CG2 4.39Å
161	M	95.6	Very high	91.1	Very high	25 Å²	25	51.4 Å²	51.4	12%	0.123	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-45.7	178.4	-169.2	59.8	172.5	0	0	112.1	L157 R158 E159 T163 M164 H165 R177 V180 L184	L157-M161 PolarHBondContact O-N 3.43Å; L157-M161 VanDerWaalsContact O-N 3.09Å; R158-M161 PolarHBondContact O-N 3.18Å; E159-M161 PolarHBondContact O-N 2.89Å; M161-T163 VanDerWaalsContact C-N 3.34Å; M161-T163 PolarHBondContact O-N 3.31Å; M161-M164 PolarHBondContact O-N 2.85Å; M161-M164 HydrophobicContact SD-CE 3.79Å; M161-H165 WeakPolarHBondContact CE-CE1 3.43Å; M161-H165 PolarHBondContact O-N 3.28Å; M161-H165 PolarHBondContact O-ND1 3.47Å; M161-R177 HydrophobicContact CE-CB 3.96Å; M161-R177 HydrophobicContact CE-CG 4.35Å; M161-R177 WeakPolarHBondContact CE-O 3.47Å; M161-R177 HydrophobicContact SD-CB 4.33Å; M161-R177 HydrophobicContact SD-CG 4.38Å; M161-V180 HydrophobicContact CB-CG1 3.83Å; M161-V180 HydrophobicContact CG-CG1 4.39Å; M161-V180 HydrophobicContact SD-CB 4.24Å; M161-V180 HydrophobicContact SD-CG1 4.06Å; M161-L184 HydrophobicContact CB-CD1 3.67Å; M161-L184 HydrophobicContact CG-CD1 4.01Å
162	E	91.5	Very high	90.1	Very high	98 Å²	98	53 Å²	53	46%	0.458	27%	0.268	S	S	.	.	H	α-helix	trans	-62.3	-42.8	178.1	-72.7	179.4	-171.4	0	0	111.4	R158 E159 M164 H165 R166	R158-E162 WeakPolarHBondContact O-CG 3.42Å; R158-E162 PolarHBondContact O-N 3.44Å; E159-E162 PolarHBondContact O-N 2.99Å; E162-M164 PolarHBondContact O-N 3.34Å; E162-H165 PolarHBondContact O-N 3.32Å; E162-H165 VanDerWaalsContact O-N 3.15Å; E162-R166 WeakPolarHBondContact O-CG 3.44Å; E162-R166 PolarHBondContact O-N 3.25Å
163	T	91.4	Very high	89.4	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.1	-41.8	177.8	-53.8	0	0	0	0	111.4	C128 D131 V132 E159 L160 M161 H165 R166 M167	C128-T163 HydrophobicContact CB-CG2 4.17Å; D131-T163 HydrophobicContact CB-CG2 3.88Å; V132-T163 HydrophobicContact CG2-CG2 3.61Å; E159-T163 VanDerWaalsContact O-CB 3.31Å; E159-T163 WeakPolarHBondContact O-CB 3.39Å; E159-T163 PolarHBondContact O-N 2.89Å; E159-T163 PolarHBondContact O-OG1 2.84Å; L160-T163 PolarHBondContact O-N 3.42Å; M161-T163 VanDerWaalsContact C-N 3.34Å; M161-T163 PolarHBondContact O-N 3.31Å; T163-H165 VanDerWaalsContact C-N 3.3Å; T163-H165 PolarHBondContact O-N 3.08Å; T163-R166 PolarHBondContact O-N 2.78Å; T163-R166 PolarHBondContact OG1-NH2 2.84Å; T163-M167 PolarHBondContact O-N 3.25Å
164	M	91.6	Very high	89.1	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.4	-33.4	173.5	-73.9	-168.5	-62.6	0	0	112.9	V132 F136 L160 M161 E162 M167 L170 F174 R177 V180	V132-M164 HydrophobicContact CG1-CG 4.25Å; V132-M164 HydrophobicContact CG2-CG 3.95Å; F136-M164 HydrophobicContact CE2-SD 4.42Å; F136-M164 HydrophobicContact CZ-SD 4.37Å; L160-M164 HydrophobicContact CD1-CG 4.42Å; L160-M164 HydrophobicContact CG-CE 4.19Å; L160-M164 WeakPolarHBondContact O-CG 3.19Å; L160-M164 PolarHBondContact O-N 3.32Å; M161-M164 PolarHBondContact O-N 2.85Å; M161-M164 HydrophobicContact SD-CE 3.79Å; E162-M164 PolarHBondContact O-N 3.34Å; M164-M167 PolarHBondContact O-N 3.46Å; M164-L170 HydrophobicContact CB-CD2 4Å; M164-L170 HydrophobicContact CG-CD2 4.26Å; M164-F174 HydrophobicContact SD-CE1 4.18Å; M164-R177 HydrophobicContact CB-CG 4.35Å; M164-R177 HydrophobicContact CE-CG 4.28Å; M164-R177 PolarHBondContact O-NH2 3.16Å; M164-R177 HydrophobicContact SD-CG 4.4Å; M164-V180 HydrophobicContact CE-CB 3.79Å; M164-V180 HydrophobicContact CE-CG1 4.03Å; M164-V180 HydrophobicContact CE-CG2 3.67Å
165	H	85.5	Confident	88.8	Confident	113 Å²	113	59.3 Å²	59.3	52%	0.523	30%	0.301	S	S	.	.	H	α-helix	trans	-72.3	-33.5	175	-76	102.1	0	0	0	113.3	M161 E162 T163 M167	M161-H165 WeakPolarHBondContact CE-CE1 3.43Å; M161-H165 PolarHBondContact O-N 3.28Å; M161-H165 PolarHBondContact O-ND1 3.47Å; E162-H165 PolarHBondContact O-N 3.32Å; E162-H165 VanDerWaalsContact O-N 3.15Å; T163-H165 VanDerWaalsContact C-N 3.3Å; T163-H165 PolarHBondContact O-N 3.08Å; H165-M167 PolarHBondContact O-N 3.47Å
166	R	83.5	Confident	88.6	Confident	113 Å²	113	56.3 Å²	56.3	43%	0.426	28%	0.282	S	S	.	.	H	α-helix	trans	-67.7	-20.8	175.2	-68.3	-173.1	-56.6	-134.5	4.1	112.7	E162 T163 S168	E162-R166 WeakPolarHBondContact O-CG 3.44Å; E162-R166 PolarHBondContact O-N 3.25Å; T163-R166 PolarHBondContact O-N 2.78Å; T163-R166 PolarHBondContact OG1-NH2 2.84Å; R166-S168 PolarHBondContact O-N 3.44Å; R166-S168 VanDerWaalsContact O-N 3.09Å
167	M	83.4	Confident	88.4	Confident	5 Å²	5	56.7 Å²	56.7	3%	0.025	28%	0.281	C	S	.	.			trans	-78	93.2	-179.6	-165.7	176.8	-175.2	0	0	111.1	L125 I129 T163 M164 H165 H169 L170 F215 F218 L219	L125-M167 HydrophobicContact CD1-CE 3.44Å; L125-M167 VanDerWaalsContact CD1-CE 3.44Å; L125-M167 HydrophobicContact CD1-CG 3.77Å; L125-M167 HydrophobicContact CD1-SD 4.38Å; I129-M167 HydrophobicContact CD1-CE 4.01Å; I129-M167 HydrophobicContact CG1-CE 3.51Å; T163-M167 PolarHBondContact O-N 3.25Å; M164-M167 PolarHBondContact O-N 3.46Å; H165-M167 PolarHBondContact O-N 3.47Å; M167-H169 PolarHBondContact O-N 3.19Å; M167-L170 HydrophobicContact CB-CB 4.1Å; M167-L170 HydrophobicContact CG-CB 4.06Å; M167-L170 WeakPolarHBondContact O-CB 3.35Å; M167-L170 PolarHBondContact O-N 2.85Å; M167-L170 HydrophobicContact SD-CB 4.14Å; M167-F215 HydrophobicContact CE-CE2 4.24Å; M167-F215 HydrophobicContact CE-CZ 4.11Å; M167-F215 HydrophobicContact SD-CE2 3.7Å; M167-F215 HydrophobicContact SD-CZ 3.83Å; M167-F218 HydrophobicContact CE-CE1 3.79Å; M167-L219 HydrophobicContact CE-CD2 4.08Å
168	S	74	Confident	88.3	Confident	74 Å²	74	63.9 Å²	63.9	52%	0.517	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.1	-178.6	47.6	0	0	0	0	114.5	D121 R166	D121-S168 WeakPolarHBondContact OD2-CB 3.34Å; D121-S168 PolarHBondContact OD2-OG 2.83Å; R166-S168 PolarHBondContact O-N 3.44Å; R166-S168 VanDerWaalsContact O-N 3.09Å
169	H	77.6	Confident	88.2	Confident	107 Å²	107	60.6 Å²	60.6	50%	0.495	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-15.1	176.8	-73.3	-82.9	0	0	0	114.2	L125 M167 F218	L125-H169 HydrophobicContact CD1-CB 4.27Å; M167-H169 PolarHBondContact O-N 3.19Å; H169-F218 HydrophobicContact CB-CZ 4.42Å; H169-F218 WeakPolarHBondContact O-CZ 3.44Å
170	L	83.3	Confident	88.2	Confident	7 Å²	7	56.2 Å²	56.2	4%	0.037	29%	0.285	C	S	.	.	S	Bend	trans	-76.7	127.6	-179.6	-169.8	67.9	0	0	0	109.4	M164 M167 F174 F215 F218	M164-L170 HydrophobicContact CB-CD2 4Å; M164-L170 HydrophobicContact CG-CD2 4.26Å; M167-L170 HydrophobicContact CB-CB 4.1Å; M167-L170 HydrophobicContact CG-CB 4.06Å; M167-L170 WeakPolarHBondContact O-CB 3.35Å; M167-L170 PolarHBondContact O-N 2.85Å; M167-L170 HydrophobicContact SD-CB 4.14Å; L170-F174 HydrophobicContact CD1-CB 4.16Å; L170-F174 HydrophobicContact CD1-CD1 3.88Å; L170-F174 HydrophobicContact CD1-CD2 4.01Å; L170-F174 HydrophobicContact CD1-CE1 4.27Å; L170-F174 HydrophobicContact CD1-CE2 4.41Å; L170-F174 HydrophobicContact CD1-CG 3.74Å; L170-F174 HydrophobicContact CD2-CB 4.36Å; L170-F174 HydrophobicContact CD2-CD1 3.71Å; L170-F174 HydrophobicContact CD2-CE1 4.31Å; L170-F174 HydrophobicContact CD2-CG 4.18Å; L170-F174 HydrophobicContact CG-CB 3.94Å; L170-F174 HydrophobicContact CG-CD1 4.01Å; L170-F174 HydrophobicContact CG-CG 3.97Å; L170-F215 HydrophobicContact CD1-CD2 4Å; L170-F215 HydrophobicContact CD1-CE2 3.98Å; L170-F218 HydrophobicContact CD1-CD1 3.81Å; L170-F218 HydrophobicContact CD1-CE1 3.83Å; L170-F218 HydrophobicContact CD1-CG 4.28Å; L170-F218 HydrophobicContact CD1-CZ 4.32Å
171	P	84.1	Confident	88.2	Confident	46 Å²	46	58.8 Å²	58.8	30%	0.299	30%	0.304	S	S	.	.			trans	-52.9	140.9	-179.2	-27.5	35	0	0	0	112.3	D173 F174 R177 F218	P171-D173 VanDerWaalsContact CB-OD1 3.28Å; P171-D173 WeakPolarHBondContact CB-OD1 3.34Å; P171-D173 PolarHBondContact O-N 2.79Å; P171-F174 VanDerWaalsContact O-CB 3.3Å; P171-F174 WeakPolarHBondContact O-CB 3.27Å; P171-F174 PolarHBondContact O-N 3.13Å; P171-F174 VanDerWaalsContact O-N 3.11Å; P171-R177 PolarHBondContact O-NH1 3.41Å; P171-F218 HydrophobicContact CG-CD2 4.31Å; P171-F218 HydrophobicContact CG-CE2 4.2Å
172	P	75.8	Confident	88.3	Confident	120 Å²	120	62.9 Å²	62.9	78%	0.779	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-30.4	-179.7	23.5	-31.8	0	0	0	112.7
173	D	82.7	Confident	88.6	Confident	138 Å²	138	59 Å²	59	74%	0.738	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	17.1	179.7	61.8	-27.8	0	0	0	113.8	P171 E175	P171-D173 VanDerWaalsContact CB-OD1 3.28Å; P171-D173 WeakPolarHBondContact CB-OD1 3.34Å; P171-D173 PolarHBondContact O-N 2.79Å; D173-E175 PolarHBondContact O-N 3.41Å; D173-E175 VanDerWaalsContact O-N 3.16Å
174	F	91.8	Very high	88.9	Confident	19 Å²	19	59.9 Å²	59.9	8%	0.083	31%	0.308	C	S	.	.			trans	-58.3	119.7	178.3	176.6	-113.5	0	0	0	112	M164 L170 P171 G176 R177 A214 F215	M164-F174 HydrophobicContact SD-CE1 4.18Å; L170-F174 HydrophobicContact CD1-CB 4.16Å; L170-F174 HydrophobicContact CD1-CD1 3.88Å; L170-F174 HydrophobicContact CD1-CD2 4.01Å; L170-F174 HydrophobicContact CD1-CE1 4.27Å; L170-F174 HydrophobicContact CD1-CE2 4.41Å; L170-F174 HydrophobicContact CD1-CG 3.74Å; L170-F174 HydrophobicContact CD2-CB 4.36Å; L170-F174 HydrophobicContact CD2-CD1 3.71Å; L170-F174 HydrophobicContact CD2-CE1 4.31Å; L170-F174 HydrophobicContact CD2-CG 4.18Å; L170-F174 HydrophobicContact CG-CB 3.94Å; L170-F174 HydrophobicContact CG-CD1 4.01Å; L170-F174 HydrophobicContact CG-CG 3.97Å; P171-F174 VanDerWaalsContact O-CB 3.3Å; P171-F174 WeakPolarHBondContact O-CB 3.27Å; P171-F174 PolarHBondContact O-N 3.13Å; P171-F174 VanDerWaalsContact O-N 3.11Å; F174-G176 VanDerWaalsContact CE1-CA 3.45Å; F174-G176 PolarHBondContact O-N 3.41Å; F174-G176 VanDerWaalsContact O-N 3.15Å; F174-R177 HydrophobicContact CD1-CG 4.26Å; F174-R177 WeakPolarHBondContact O-CB 3.36Å; F174-R177 PolarHBondContact O-N 3.46Å; F174-A214 HydrophobicContact CE2-CB 3.86Å; F174-A214 HydrophobicContact CZ-CB 4.09Å; F174-F215 HydrophobicContact CE1-CD2 4.28Å; F174-F215 HydrophobicContact CZ-CB 3.82Å; F174-F215 HydrophobicContact CZ-CD2 4.12Å; F174-F215 HydrophobicContact CZ-CG 4.49Å
175	E	90.6	Very high	89.1	Confident	99 Å²	99	67 Å²	67	46%	0.463	34%	0.341	S	S	.	.	H	α-helix	trans	-54.2	-37.2	-174.8	64	-175.8	168.3	0	0	113.4	D173 R177 Q178 T179 A214 R217	D173-E175 PolarHBondContact O-N 3.41Å; D173-E175 VanDerWaalsContact O-N 3.16Å; E175-R177 PolarHBondContact O-N 3.49Å; E175-Q178 WeakPolarHBondContact O-CB 3.39Å; E175-Q178 PolarHBondContact O-N 3.33Å; E175-T179 PolarHBondContact O-N 3.31Å; E175-T179 PolarHBondContact O-OG1 3.22Å; E175-A214 HydrophobicContact CG-CB 3.95Å; E175-A214 WeakPolarHBondContact OE1-CB 3.36Å; E175-R217 IonicContact OE1-NH2 2.79Å; E175-R217 PolarHBondContact OE1-NH2 2.96Å
176	G	92.6	Very high	89.6	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-63.1	-25.9	-179.4	0	0	0	0	0	114.1	F174 V180	F174-G176 VanDerWaalsContact CE1-CA 3.45Å; F174-G176 PolarHBondContact O-N 3.41Å; F174-G176 VanDerWaalsContact O-N 3.15Å; G176-V180 WeakPolarHBondContact O-CG2 3.35Å; G176-V180 PolarHBondContact O-N 3.06Å
177	R	94	Very high	90.2	Very high	34 Å²	34	58.7 Å²	58.7	13%	0.128	31%	0.311	C	S	.	.	H	α-helix	trans	-66.3	-42.2	172.9	-77.2	177.7	179.5	164.3	2.8	111.2	M161 M164 P171 F174 E175 T179 S181	M161-R177 HydrophobicContact CE-CB 3.96Å; M161-R177 HydrophobicContact CE-CG 4.35Å; M161-R177 WeakPolarHBondContact CE-O 3.47Å; M161-R177 HydrophobicContact SD-CB 4.33Å; M161-R177 HydrophobicContact SD-CG 4.38Å; M164-R177 HydrophobicContact CB-CG 4.35Å; M164-R177 HydrophobicContact CE-CG 4.28Å; M164-R177 PolarHBondContact O-NH2 3.16Å; M164-R177 HydrophobicContact SD-CG 4.4Å; P171-R177 PolarHBondContact O-NH1 3.41Å; F174-R177 HydrophobicContact CD1-CG 4.26Å; F174-R177 WeakPolarHBondContact O-CB 3.36Å; F174-R177 PolarHBondContact O-N 3.46Å; E175-R177 PolarHBondContact O-N 3.49Å; R177-T179 VanDerWaalsContact C-N 3.34Å; R177-S181 VanDerWaalsContact O-CB 3.26Å; R177-S181 WeakPolarHBondContact O-CB 3.2Å; R177-S181 PolarHBondContact O-N 3.09Å
178	Q	93.7	Very high	90.7	Very high	151 Å²	151	61.7 Å²	61.7	71%	0.706	33%	0.333	S	S	*	.	H	α-helix	trans	-63.7	-44.5	179.3	-172.5	175.5	9.5	0	0	110.6	E175 S181 Q182	E175-Q178 WeakPolarHBondContact O-CB 3.39Å; E175-Q178 PolarHBondContact O-N 3.33Å; Q178-S181 PolarHBondContact O-N 2.82Å; Q178-Q182 PolarHBondContact O-N 3.18Å
179	T	96.3	Very high	91.6	Very high	31 Å²	31	61.7 Å²	61.7	19%	0.19	34%	0.344	C	S	.	.	H	α-helix	trans	-57.9	-52.5	176.5	-58.1	0	0	0	0	112.4	E175 R177 S181 Q182 W183 D207 A211	E175-T179 PolarHBondContact O-N 3.31Å; E175-T179 PolarHBondContact O-OG1 3.22Å; R177-T179 VanDerWaalsContact C-N 3.34Å; T179-S181 VanDerWaalsContact C-N 3.31Å; T179-S181 PolarHBondContact O-N 3.27Å; T179-Q182 PolarHBondContact O-N 3Å; T179-W183 PolarHBondContact O-N 3.22Å; T179-D207 HydrophobicContact CG2-CB 3.65Å; T179-A211 HydrophobicContact CG2-CB 4.35Å
180	V	97.1	Very high	92.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-63.5	-39.3	179.9	172	0	0	0	0	111.1	F136 L157 L160 M161 M164 G176 Q182 W183 L184 L208	F136-V180 HydrophobicContact CE1-CG2 4.37Å; F136-V180 HydrophobicContact CZ-CG2 4.46Å; L157-V180 HydrophobicContact CD1-CG1 3.86Å; L157-V180 HydrophobicContact CD1-CG2 4.42Å; L157-V180 HydrophobicContact CG-CG1 3.94Å; L160-V180 HydrophobicContact CD2-CG1 4.44Å; L160-V180 HydrophobicContact CD2-CG2 3.84Å; L160-V180 HydrophobicContact CG-CG2 4.39Å; M161-V180 HydrophobicContact CB-CG1 3.83Å; M161-V180 HydrophobicContact CG-CG1 4.39Å; M161-V180 HydrophobicContact SD-CB 4.24Å; M161-V180 HydrophobicContact SD-CG1 4.06Å; M164-V180 HydrophobicContact CE-CB 3.79Å; M164-V180 HydrophobicContact CE-CG1 4.03Å; M164-V180 HydrophobicContact CE-CG2 3.67Å; G176-V180 WeakPolarHBondContact O-CG2 3.35Å; G176-V180 PolarHBondContact O-N 3.06Å; V180-Q182 VanDerWaalsContact C-N 3.34Å; V180-Q182 PolarHBondContact O-N 3.43Å; V180-W183 PolarHBondContact O-N 3.37Å; V180-L184 HydrophobicContact CG1-CD1 4.18Å; V180-L184 WeakPolarHBondContact O-CG 3.35Å; V180-L184 PolarHBondContact O-N 2.88Å; V180-L208 HydrophobicContact CG2-CD2 4.11Å
181	S	96.4	Very high	93.1	Very high	55 Å²	55	61.2 Å²	61.2	39%	0.385	35%	0.35	S	S	.	.	H	α-helix	trans	-61.9	-39.4	176.3	-172.3	0	0	0	0	112.8	R177 Q178 T179 L184 Q185	R177-S181 VanDerWaalsContact O-CB 3.26Å; R177-S181 WeakPolarHBondContact O-CB 3.2Å; R177-S181 PolarHBondContact O-N 3.09Å; Q178-S181 PolarHBondContact O-N 2.82Å; T179-S181 VanDerWaalsContact C-N 3.31Å; T179-S181 PolarHBondContact O-N 3.27Å; S181-L184 PolarHBondContact O-N 2.92Å; S181-Q185 WeakPolarHBondContact O-CB 3.49Å; S181-Q185 PolarHBondContact O-N 3.38Å
182	Q	97.1	Very high	93.4	Very high	110 Å²	110	61.5 Å²	61.5	51%	0.514	36%	0.356	S	S	.	.	H	α-helix	trans	-63	-46	178.6	-178.8	179.5	-4.1	0	0	111.1	Q178 T179 V180 Q185 T186	Q178-Q182 PolarHBondContact O-N 3.18Å; T179-Q182 PolarHBondContact O-N 3Å; V180-Q182 VanDerWaalsContact C-N 3.34Å; V180-Q182 PolarHBondContact O-N 3.43Å; Q182-Q185 WeakPolarHBondContact O-CB 3.44Å; Q182-Q185 PolarHBondContact O-N 3.29Å; Q182-T186 PolarHBondContact O-N 3.35Å; Q182-T186 PolarHBondContact O-OG1 2.85Å
183	W	98	Very high	94.3	Very high	16 Å²	16	60.4 Å²	60.4	6%	0.061	35%	0.352	C	S	.	.	H	α-helix	trans	-67.7	-37.4	177.8	-75.7	108.9	0	0	0	112.8	L157 T179 V180 Q185 T186 L187 Q200 Q203 M204 D207	L157-W183 HydrophobicContact CD2-CB 3.63Å; T179-W183 PolarHBondContact O-N 3.22Å; V180-W183 PolarHBondContact O-N 3.37Å; W183-Q185 VanDerWaalsContact C-N 3.28Å; W183-Q185 PolarHBondContact O-N 3.2Å; W183-T186 HydrophobicContact CZ3-CG2 4.5Å; W183-T186 PolarHBondContact O-N 2.99Å; W183-L187 WeakPolarHBondContact O-CG 3.31Å; W183-L187 PolarHBondContact O-N 3.23Å; W183-Q200 WeakPolarHBondContact CH2-O 3.42Å; W183-Q200 HydrophobicContact CZ3-CB 4.45Å; W183-Q203 HydrophobicContact CH2-CB 4.17Å; W183-Q203 HydrophobicContact CH2-CG 4.37Å; W183-Q203 HydrophobicContact CZ2-CB 4.04Å; W183-Q203 HydrophobicContact CZ2-CG 3.91Å; W183-M204 HydrophobicContact CB-CE 4.28Å; W183-M204 HydrophobicContact CD2-CB 3.92Å; W183-M204 HydrophobicContact CD2-CG 3.69Å; W183-M204 HydrophobicContact CD2-SD 4Å; W183-M204 HydrophobicContact CE3-CB 4.07Å; W183-M204 HydrophobicContact CE3-CG 4.04Å; W183-M204 HydrophobicContact CE3-SD 3.87Å; W183-M204 HydrophobicContact CG-CE 4.44Å; W183-M204 HydrophobicContact CG-CG 4.01Å; W183-M204 HydrophobicContact CG-SD 4.31Å; W183-M204 HydrophobicContact CH2-CB 3.75Å; W183-M204 HydrophobicContact CZ2-CB 3.59Å; W183-M204 HydrophobicContact CZ2-CG 4.27Å; W183-M204 VanDerWaalsContact CZ2-N 3.31Å; W183-M204 HydrophobicContact CZ3-CB 3.99Å; W183-M204 HydrophobicContact CZ3-CG 4.46Å; W183-M204 HydrophobicContact CZ3-SD 4.43Å; W183-D207 WeakPolarHBondContact CZ2-OD2 3.31Å; W183-D207 PolarHBondContact NE1-OD2 3.34Å
184	L	97.4	Very high	94.9	Very high	20 Å²	20	57 Å²	57	11%	0.105	33%	0.333	C	S	.	.	H	α-helix	trans	-59.9	-39.6	171.1	-82.4	172.8	0	0	0	112.4	Q154 L157 R158 M161 V180 S181 S188	Q154-L184 HydrophobicContact CG-CD2 4.05Å; L157-L184 HydrophobicContact CB-CD2 4Å; L157-L184 HydrophobicContact CB-CG 4.42Å; L157-L184 HydrophobicContact CD2-CB 4.44Å; L157-L184 HydrophobicContact CD2-CD2 3.92Å; L157-L184 HydrophobicContact CD2-CG 3.73Å; L157-L184 HydrophobicContact CG-CD2 4Å; L157-L184 HydrophobicContact CG-CG 3.88Å; R158-L184 HydrophobicContact CB-CD2 4.06Å; M161-L184 HydrophobicContact CB-CD1 3.67Å; M161-L184 HydrophobicContact CG-CD1 4.01Å; V180-L184 HydrophobicContact CG1-CD1 4.18Å; V180-L184 WeakPolarHBondContact O-CG 3.35Å; V180-L184 PolarHBondContact O-N 2.88Å; S181-L184 PolarHBondContact O-N 2.92Å; L184-S188 VanDerWaalsContact O-CB 3.27Å; L184-S188 WeakPolarHBondContact O-CB 3.36Å; L184-S188 PolarHBondContact O-N 3.46Å; L184-S188 PolarHBondContact O-OG 2.79Å
185	Q	96.9	Very high	95.2	Very high	149 Å²	149	62.3 Å²	62.3	70%	0.696	36%	0.358	S	S	*	.	H	α-helix	trans	-66	-43.7	177	-173.9	177.5	0.9	0	0	111.3	S181 Q182 W183 S188 G189	S181-Q185 WeakPolarHBondContact O-CB 3.49Å; S181-Q185 PolarHBondContact O-N 3.38Å; Q182-Q185 WeakPolarHBondContact O-CB 3.44Å; Q182-Q185 PolarHBondContact O-N 3.29Å; W183-Q185 VanDerWaalsContact C-N 3.28Å; W183-Q185 PolarHBondContact O-N 3.2Å; Q185-S188 PolarHBondContact O-N 3.26Å; Q185-G189 PolarHBondContact O-N 3.46Å
186	T	96.4	Very high	95.5	Very high	52 Å²	52	57.8 Å²	57.8	32%	0.319	34%	0.337	S	S	.	.	H	α-helix	trans	-57.1	-52.5	174.4	-58.2	0	0	0	0	111.1	Q182 W183 S188 G189	Q182-T186 PolarHBondContact O-N 3.35Å; Q182-T186 PolarHBondContact O-OG1 2.85Å; W183-T186 HydrophobicContact CZ3-CG2 4.5Å; W183-T186 PolarHBondContact O-N 2.99Å; T186-S188 VanDerWaalsContact C-N 3.33Å; T186-S188 PolarHBondContact O-N 3.07Å; T186-G189 PolarHBondContact O-N 3.15Å; T186-G189 VanDerWaalsContact O-N 3.16Å
187	L	95.9	Very high	95.8	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-65.2	-34.6	-179.2	-70.1	170.7	0	0	0	112.6	M150 I153 Q154 L157 W183 G189 M190 L196	M150-L187 HydrophobicContact CB-CD2 4.48Å; M150-L187 WeakPolarHBondContact CE-O 3.49Å; M150-L187 HydrophobicContact CG-CB 4.33Å; M150-L187 HydrophobicContact CG-CD2 4.33Å; M150-L187 VanDerWaalsContact CG-O 3.3Å; M150-L187 WeakPolarHBondContact CG-O 3.33Å; I153-L187 HydrophobicContact CB-CD1 4.42Å; I153-L187 HydrophobicContact CG2-CD1 3.87Å; Q154-L187 HydrophobicContact CB-CB 4.29Å; Q154-L187 HydrophobicContact CB-CD1 4.16Å; Q154-L187 HydrophobicContact CG-CB 4.22Å; L157-L187 HydrophobicContact CD2-CD1 3.84Å; W183-L187 WeakPolarHBondContact O-CG 3.31Å; W183-L187 PolarHBondContact O-N 3.23Å; L187-G189 PolarHBondContact O-N 3.41Å; L187-M190 HydrophobicContact CD2-SD 4.07Å; L187-M190 WeakPolarHBondContact O-CB 3.49Å; L187-M190 PolarHBondContact O-N 3.22Å; L187-M190 VanDerWaalsContact O-N 3.08Å; L187-L196 HydrophobicContact CD2-CD1 4.32Å; L187-L196 HydrophobicContact CD2-CD2 3.99Å; L187-L196 HydrophobicContact CD2-CG 4.23Å
188	S	93.5	Very high	95.9	Very high	68 Å²	68	64.1 Å²	64.1	48%	0.476	37%	0.374	S	S	.	.	H	α-helix	trans	-67.9	-17.1	178.1	-60.1	0	0	0	0	113.3	L184 Q185 T186	L184-S188 VanDerWaalsContact O-CB 3.27Å; L184-S188 WeakPolarHBondContact O-CB 3.36Å; L184-S188 PolarHBondContact O-N 3.46Å; L184-S188 PolarHBondContact O-OG 2.79Å; Q185-S188 PolarHBondContact O-N 3.26Å; T186-S188 VanDerWaalsContact C-N 3.33Å; T186-S188 PolarHBondContact O-N 3.07Å
189	G	93.4	Very high	96.1	Very high	73 Å²	73	60.8 Å²	60.8	75%	0.753	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-6.2	173.2	0	0	0	0	0	114.4	Q185 T186 L187	Q185-G189 PolarHBondContact O-N 3.46Å; T186-G189 PolarHBondContact O-N 3.15Å; T186-G189 VanDerWaalsContact O-N 3.16Å; L187-G189 PolarHBondContact O-N 3.41Å
190	M	95.3	Very high	96.2	Very high	36 Å²	36	61.9 Å²	61.9	18%	0.177	37%	0.37	C	S	.	.	S	Bend	trans	-99.1	155.5	-177.7	-66.5	171.5	69.7	0	0	111	M150 L187 D194 L196	M150-M190 HydrophobicContact CB-CB 4.26Å; M150-M190 VanDerWaalsContact CE-O 3.23Å; M150-M190 WeakPolarHBondContact CE-O 3.41Å; M150-M190 HydrophobicContact CG-CB 3.92Å; L187-M190 HydrophobicContact CD2-SD 4.07Å; L187-M190 WeakPolarHBondContact O-CB 3.49Å; L187-M190 PolarHBondContact O-N 3.22Å; L187-M190 VanDerWaalsContact O-N 3.08Å; M190-D194 HydrophobicContact CB-CB 4Å; M190-D194 HydrophobicContact CE-CB 3.63Å; M190-L196 HydrophobicContact CE-CD2 4.27Å; M190-L196 HydrophobicContact SD-CD2 4.05Å
191	S	96.1	Very high	96.2	Very high	69 Å²	69	62.3 Å²	62.3	48%	0.483	37%	0.373	S	S	.	.			trans	-74.4	157	167.3	-50.2	0	0	0	0	109.9	M150 S193 D194	M150-S191 WeakPolarHBondContact CB-O 3.3Å; S191-S193 PolarHBondContact O-N 3.39Å; S191-S193 VanDerWaalsContact O-N 3.16Å; S191-D194 VanDerWaalsContact CB-OD2 3.3Å; S191-D194 WeakPolarHBondContact CB-OD2 3.48Å; S191-D194 PolarHBondContact N-OD2 3.45Å; S191-D194 WeakPolarHBondContact O-CB 3.35Å; S191-D194 PolarHBondContact O-N 3.04Å; S191-D194 PolarHBondContact OG-OD2 3.22Å
192	A	91.3	Very high	96.3	Very high	51 Å²	51	68.6 Å²	68.6	42%	0.421	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-38.4	-180	0	0	0	0	0	113.5	D151 D194	D151-A192 HydrophobicContact CB-CB 3.93Å; D151-A192 PolarHBondContact N-O 2.89Å; D151-A192 VanDerWaalsContact OD1-O 3.13Å; A192-D194 VanDerWaalsContact C-N 3.35Å
193	S	93	Very high	96.4	Very high	98 Å²	98	67.9 Å²	67.9	69%	0.685	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-5.9	179.8	57.9	0	0	0	0	114.9	S191	S191-S193 PolarHBondContact O-N 3.39Å; S191-S193 VanDerWaalsContact O-N 3.16Å
194	D	97.1	Very high	96.4	Very high	65 Å²	65	67.1 Å²	67.1	35%	0.348	38%	0.382	S	S	.	.			trans	-75.9	141.7	-179.2	-64.7	-18.6	0	0	0	109.2	M150 M190 S191 A192	M150-D194 WeakPolarHBondContact CB-O 3.45Å; M150-D194 PolarHBondContact N-O 3.28Å; M190-D194 HydrophobicContact CB-CB 4Å; M190-D194 HydrophobicContact CE-CB 3.63Å; S191-D194 VanDerWaalsContact CB-OD2 3.3Å; S191-D194 WeakPolarHBondContact CB-OD2 3.48Å; S191-D194 PolarHBondContact N-OD2 3.45Å; S191-D194 WeakPolarHBondContact O-CB 3.35Å; S191-D194 PolarHBondContact O-N 3.04Å; S191-D194 PolarHBondContact OG-OD2 3.22Å; A192-D194 VanDerWaalsContact C-N 3.35Å
195	E	97.8	Very high	96.4	Very high	132 Å²	132	67.6 Å²	67.6	62%	0.617	38%	0.384	S	S	*	.	B	Isolated β-bridge	trans	-111	148.8	-178.7	-68.2	-177.2	-177.6	0	0	111.7	R148 A149	R148-E195 HydrophobicContact CB-CB 4.14Å; R148-E195 HydrophobicContact CB-CG 4.42Å; R148-E195 WeakPolarHBondContact O-CA 3.4Å; A149-E195 HydrophobicContact CB-CG 4.35Å
196	L	97.4	Very high	96.5	Very high	3 Å²	3	67 Å²	67	2%	0.016	38%	0.379	C	S	.	.			trans	-69.5	135.9	168.5	-64.1	173.3	0	0	0	110.8	L143 R148 L187 M190 Q200 V201 M204	L143-L196 HydrophobicContact CD2-CD1 4.03Å; R148-L196 HydrophobicContact CB-CB 4.48Å; R148-L196 PolarHBondContact O-N 3.47Å; L187-L196 HydrophobicContact CD2-CD1 4.32Å; L187-L196 HydrophobicContact CD2-CD2 3.99Å; L187-L196 HydrophobicContact CD2-CG 4.23Å; M190-L196 HydrophobicContact CE-CD2 4.27Å; M190-L196 HydrophobicContact SD-CD2 4.05Å; L196-Q200 HydrophobicContact CB-CB 4.18Å; L196-Q200 HydrophobicContact CD2-CB 4.12Å; L196-V201 HydrophobicContact CB-CG2 3.82Å; L196-M204 HydrophobicContact CD1-SD 3.79Å
197	D	97.4	Very high	96.6	Very high	77 Å²	77	65.9 Å²	65.9	41%	0.412	37%	0.372	S	S	.	.			trans	-75.3	167	174	72.5	50.8	0	0	0	112.6	S199 Q200 V201	D197-S199 PolarHBondContact O-N 3.27Å; D197-S199 VanDerWaalsContact O-N 3.15Å; D197-S199 VanDerWaalsContact OD1-CA 3.31Å; D197-S199 WeakPolarHBondContact OD1-CA 3.29Å; D197-S199 VanDerWaalsContact OD1-CB 3.29Å; D197-S199 WeakPolarHBondContact OD1-CB 3.28Å; D197-S199 PolarHBondContact OD1-N 2.89Å; D197-S199 PolarHBondContact OD1-OG 3.44Å; D197-Q200 PolarHBondContact O-N 3.36Å; D197-Q200 VanDerWaalsContact O-N 3.14Å; D197-Q200 WeakPolarHBondContact OD1-CG 3.35Å; D197-Q200 PolarHBondContact OD1-N 2.87Å; D197-Q200 PolarHBondContact OD2-OE1 3.12Å; D197-V201 WeakPolarHBondContact O-CG2 3.42Å; D197-V201 PolarHBondContact O-N 3.43Å
198	D	97.1	Very high	96.7	Very high	91 Å²	91	65.9 Å²	65.9	49%	0.487	37%	0.372	S	S	.	.	H	α-helix	trans	-56.4	-32.6	-178.7	-74.4	-36.1	0	0	0	113.6	R148 R202	R148-D198 IonicContact CZ-OD1 3.68Å; R148-D198 VanDerWaalsContact CZ-OD1 3.31Å; R148-D198 IonicContact NH1-OD1 2.67Å; R148-D198 PolarHBondContact NH1-OD1 3.47Å; R148-D198 IonicContact NH2-OD1 2.8Å; R148-D198 PolarHBondContact NH2-OD1 3.22Å; D198-R202 VanDerWaalsContact O-CG 3.32Å; D198-R202 WeakPolarHBondContact O-CG 3.38Å; D198-R202 PolarHBondContact O-N 2.93Å
199	S	97.6	Very high	96.9	Very high	81 Å²	81	67 Å²	67	57%	0.566	37%	0.369	S	S	*	.	H	α-helix	trans	-75	-42.1	179.8	79.6	0	0	0	0	111	D197 R202 Q203	D197-S199 PolarHBondContact O-N 3.27Å; D197-S199 VanDerWaalsContact O-N 3.15Å; D197-S199 VanDerWaalsContact OD1-CA 3.31Å; D197-S199 WeakPolarHBondContact OD1-CA 3.29Å; D197-S199 VanDerWaalsContact OD1-CB 3.29Å; D197-S199 WeakPolarHBondContact OD1-CB 3.28Å; D197-S199 PolarHBondContact OD1-N 2.89Å; D197-S199 PolarHBondContact OD1-OG 3.44Å; S199-R202 PolarHBondContact O-N 3.43Å; S199-Q203 WeakPolarHBondContact O-CB 3.49Å; S199-Q203 PolarHBondContact O-N 3.24Å
200	Q	97.8	Very high	97.1	Very high	53 Å²	53	66.2 Å²	66.2	25%	0.248	35%	0.352	C	S	.	.	H	α-helix	trans	-64.1	-43.9	176.2	-68.4	176	-44.2	0	0	111	W183 L196 D197 R202 Q203 M204	W183-Q200 WeakPolarHBondContact CH2-O 3.42Å; W183-Q200 HydrophobicContact CZ3-CB 4.45Å; L196-Q200 HydrophobicContact CB-CB 4.18Å; L196-Q200 HydrophobicContact CD2-CB 4.12Å; D197-Q200 PolarHBondContact O-N 3.36Å; D197-Q200 VanDerWaalsContact O-N 3.14Å; D197-Q200 WeakPolarHBondContact OD1-CG 3.35Å; D197-Q200 PolarHBondContact OD1-N 2.87Å; D197-Q200 PolarHBondContact OD2-OE1 3.12Å; Q200-R202 PolarHBondContact O-N 3.48Å; Q200-Q203 PolarHBondContact O-N 3.05Å; Q200-M204 VanDerWaalsContact O-CB 3.28Å; Q200-M204 WeakPolarHBondContact O-CB 3.25Å; Q200-M204 PolarHBondContact O-N 3.36Å
201	V	98.3	Very high	97.2	Very high	10 Å²	10	64.5 Å²	64.5	6%	0.061	34%	0.344	C	S	.	.	H	α-helix	trans	-59	-47.2	176.4	171.1	0	0	0	0	111.1	L143 R148 L196 D197 Q203 M204 L205	L143-V201 HydrophobicContact CB-CG1 4.22Å; L143-V201 HydrophobicContact CD2-CG1 4.46Å; L143-V201 HydrophobicContact CD2-CG2 4.34Å; R148-V201 HydrophobicContact CG-CG2 3.96Å; L196-V201 HydrophobicContact CB-CG2 3.82Å; D197-V201 WeakPolarHBondContact O-CG2 3.42Å; D197-V201 PolarHBondContact O-N 3.43Å; V201-Q203 PolarHBondContact O-N 2.81Å; V201-M204 PolarHBondContact O-N 2.8Å; V201-L205 HydrophobicContact CG1-CD1 4.09Å; V201-L205 WeakPolarHBondContact O-CB 3.32Å; V201-L205 WeakPolarHBondContact O-CG 3.41Å; V201-L205 PolarHBondContact O-N 3.29Å
202	R	97.8	Very high	97.3	Very high	186 Å²	186	63.4 Å²	63.4	70%	0.702	33%	0.33	S	S	*	.	H	α-helix	trans	-63.6	-42.1	178.6	-74.3	179.2	-168.2	165.1	7.4	112.3	D198 S199 Q200 F206	D198-R202 VanDerWaalsContact O-CG 3.32Å; D198-R202 WeakPolarHBondContact O-CG 3.38Å; D198-R202 PolarHBondContact O-N 2.93Å; S199-R202 PolarHBondContact O-N 3.43Å; Q200-R202 PolarHBondContact O-N 3.48Å; R202-F206 PolarHBondContact O-N 3.32Å; R202-F206 VanDerWaalsContact O-N 3.13Å
203	Q	98.4	Very high	97.5	Very high	95 Å²	95	64.2 Å²	64.2	44%	0.444	33%	0.327	S	S	.	.	H	α-helix	trans	-66.5	-43.9	178.1	-170.4	60.8	55.3	0	0	111.1	W183 S199 Q200 V201 L205 F206 D207	W183-Q203 HydrophobicContact CH2-CB 4.17Å; W183-Q203 HydrophobicContact CH2-CG 4.37Å; W183-Q203 HydrophobicContact CZ2-CB 4.04Å; W183-Q203 HydrophobicContact CZ2-CG 3.91Å; S199-Q203 WeakPolarHBondContact O-CB 3.49Å; S199-Q203 PolarHBondContact O-N 3.24Å; Q200-Q203 PolarHBondContact O-N 3.05Å; V201-Q203 PolarHBondContact O-N 2.81Å; Q203-L205 PolarHBondContact O-N 3.41Å; Q203-F206 PolarHBondContact O-N 3.04Å; Q203-D207 PolarHBondContact NE2-OD1 3.44Å; Q203-D207 WeakPolarHBondContact O-CB 3.01Å; Q203-D207 PolarHBondContact O-N 3.1Å
204	M	98.3	Very high	97.6	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-42.6	178.7	-172.8	170.1	176.4	0	0	111.8	V139 L143 I153 L157 W183 L196 Q200 V201 D207 L208	V139-M204 HydrophobicContact CG1-CE 3.86Å; L143-M204 HydrophobicContact CD1-CB 4.16Å; L143-M204 HydrophobicContact CD1-CE 4.22Å; L143-M204 HydrophobicContact CD1-CG 3.76Å; L143-M204 HydrophobicContact CD1-SD 3.82Å; L143-M204 HydrophobicContact CD2-SD 4.31Å; I153-M204 HydrophobicContact CG2-CE 3.78Å; L157-M204 HydrophobicContact CD1-CE 4.07Å; L157-M204 HydrophobicContact CD2-CE 3.91Å; W183-M204 HydrophobicContact CB-CE 4.28Å; W183-M204 HydrophobicContact CD2-CB 3.92Å; W183-M204 HydrophobicContact CD2-CG 3.69Å; W183-M204 HydrophobicContact CD2-SD 4Å; W183-M204 HydrophobicContact CE3-CB 4.07Å; W183-M204 HydrophobicContact CE3-CG 4.04Å; W183-M204 HydrophobicContact CE3-SD 3.87Å; W183-M204 HydrophobicContact CG-CE 4.44Å; W183-M204 HydrophobicContact CG-CG 4.01Å; W183-M204 HydrophobicContact CG-SD 4.31Å; W183-M204 HydrophobicContact CH2-CB 3.75Å; W183-M204 HydrophobicContact CZ2-CB 3.59Å; W183-M204 HydrophobicContact CZ2-CG 4.27Å; W183-M204 VanDerWaalsContact CZ2-N 3.31Å; W183-M204 HydrophobicContact CZ3-CB 3.99Å; W183-M204 HydrophobicContact CZ3-CG 4.46Å; W183-M204 HydrophobicContact CZ3-SD 4.43Å; L196-M204 HydrophobicContact CD1-SD 3.79Å; Q200-M204 VanDerWaalsContact O-CB 3.28Å; Q200-M204 WeakPolarHBondContact O-CB 3.25Å; Q200-M204 PolarHBondContact O-N 3.36Å; V201-M204 PolarHBondContact O-N 2.8Å; M204-D207 PolarHBondContact O-N 3.39Å; M204-L208 HydrophobicContact CE-CD1 3.88Å; M204-L208 HydrophobicContact CG-CD1 3.88Å; M204-L208 HydrophobicContact CG-CG 4.25Å; M204-L208 VanDerWaalsContact O-CB 3.31Å; M204-L208 WeakPolarHBondContact O-CB 3.09Å; M204-L208 VanDerWaalsContact O-CG 3.23Å; M204-L208 WeakPolarHBondContact O-CG 3.46Å; M204-L208 PolarHBondContact O-N 2.81Å
205	L	98.4	Very high	97.6	Very high	30 Å²	30	56.8 Å²	56.8	16%	0.157	28%	0.28	C	S	.	.	H	α-helix	trans	-59.3	-47.5	174.3	-80.1	170.8	0	0	0	112	M140 L143 R144 V201 Q203 L208 E209	M140-L205 HydrophobicContact CB-CD2 3.96Å; M140-L205 HydrophobicContact CG-CD2 4.14Å; M140-L205 WeakPolarHBondContact O-CD2 3.47Å; L143-L205 HydrophobicContact CB-CD1 4.42Å; L143-L205 HydrophobicContact CB-CD2 3.95Å; L143-L205 HydrophobicContact CB-CG 4.1Å; L143-L205 HydrophobicContact CD1-CD2 4.11Å; L143-L205 HydrophobicContact CD1-CG 4.12Å; R144-L205 HydrophobicContact CG-CD1 4.25Å; R144-L205 HydrophobicContact CG-CD2 4.19Å; V201-L205 HydrophobicContact CG1-CD1 4.09Å; V201-L205 WeakPolarHBondContact O-CB 3.32Å; V201-L205 WeakPolarHBondContact O-CG 3.41Å; V201-L205 PolarHBondContact O-N 3.29Å; Q203-L205 PolarHBondContact O-N 3.41Å; L205-L208 PolarHBondContact O-N 2.92Å; L205-E209 VanDerWaalsContact O-CB 3.27Å; L205-E209 WeakPolarHBondContact O-CB 3.43Å; L205-E209 PolarHBondContact O-N 3.42Å
206	F	98.3	Very high	97.4	Very high	136 Å²	136	52.2 Å²	52.2	60%	0.596	26%	0.26	S	S	*	.	H	α-helix	trans	-60.9	-46.3	178.6	176.1	-95.9	0	0	0	112.1	R202 Q203 E209 S210	R202-F206 PolarHBondContact O-N 3.32Å; R202-F206 VanDerWaalsContact O-N 3.13Å; Q203-F206 PolarHBondContact O-N 3.04Å; F206-E209 PolarHBondContact O-N 2.99Å; F206-S210 PolarHBondContact O-N 3.48Å
207	D	98.3	Very high	97.2	Very high	29 Å²	29	59.1 Å²	59.1	16%	0.155	29%	0.286	C	S	.	.	H	α-helix	trans	-64.9	-44.6	-178.9	-70.6	-13.1	0	0	0	111.8	T179 W183 Q203 M204 S210 A211	T179-D207 HydrophobicContact CG2-CB 3.65Å; W183-D207 WeakPolarHBondContact CZ2-OD2 3.31Å; W183-D207 PolarHBondContact NE1-OD2 3.34Å; Q203-D207 PolarHBondContact NE2-OD1 3.44Å; Q203-D207 WeakPolarHBondContact O-CB 3.01Å; Q203-D207 PolarHBondContact O-N 3.1Å; M204-D207 PolarHBondContact O-N 3.39Å; D207-S210 PolarHBondContact O-N 3.07Å; D207-A211 WeakPolarHBondContact O-CB 3.47Å; D207-A211 PolarHBondContact O-N 2.94Å
208	L	98.1	Very high	96.9	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-67.3	-37.9	177.5	-70.9	178	0	0	0	112.2	F136 V139 M140 L143 L157 V180 M204 L205 S210 A211 Y212	F136-L208 HydrophobicContact CD1-CD2 4.35Å; F136-L208 HydrophobicContact CE1-CD2 4.06Å; V139-L208 HydrophobicContact CB-CD1 4.37Å; V139-L208 HydrophobicContact CG1-CD1 3.57Å; M140-L208 HydrophobicContact CG-CB 4.06Å; M140-L208 HydrophobicContact CG-CD1 4.32Å; M140-L208 HydrophobicContact SD-CB 4.37Å; L143-L208 HydrophobicContact CD1-CD1 4.31Å; L157-L208 HydrophobicContact CD1-CD2 4.13Å; V180-L208 HydrophobicContact CG2-CD2 4.11Å; M204-L208 HydrophobicContact CE-CD1 3.88Å; M204-L208 HydrophobicContact CG-CD1 3.88Å; M204-L208 HydrophobicContact CG-CG 4.25Å; M204-L208 VanDerWaalsContact O-CB 3.31Å; M204-L208 WeakPolarHBondContact O-CB 3.09Å; M204-L208 VanDerWaalsContact O-CG 3.23Å; M204-L208 WeakPolarHBondContact O-CG 3.46Å; M204-L208 PolarHBondContact O-N 2.81Å; L205-L208 PolarHBondContact O-N 2.92Å; L208-S210 VanDerWaalsContact C-N 3.34Å; L208-A211 PolarHBondContact O-N 3.08Å; L208-Y212 VanDerWaalsContact O-CB 3.26Å; L208-Y212 WeakPolarHBondContact O-CB 3.39Å; L208-Y212 PolarHBondContact O-N 3.39Å
209	E	97.9	Very high	96.5	Very high	92 Å²	92	56.3 Å²	56.3	43%	0.43	27%	0.268	S	S	.	.	H	α-helix	trans	-65.2	-39.8	175.4	-174.7	166	-157	0	0	111.3	M140 L205 F206 Y212 N213	M140-E209 HydrophobicContact SD-CB 4.28Å; L205-E209 VanDerWaalsContact O-CB 3.27Å; L205-E209 WeakPolarHBondContact O-CB 3.43Å; L205-E209 PolarHBondContact O-N 3.42Å; F206-E209 PolarHBondContact O-N 2.99Å; E209-Y212 PolarHBondContact O-N 3.23Å; E209-N213 WeakPolarHBondContact O-CB 3.44Å; E209-N213 VanDerWaalsContact O-CG 3.22Å; E209-N213 PolarHBondContact O-N 3.29Å; E209-N213 PolarHBondContact O-ND2 3.44Å
210	S	97.4	Very high	95.9	Very high	56 Å²	56	60.2 Å²	60.2	39%	0.392	28%	0.277	S	S	.	.	H	α-helix	trans	-61.8	-48	173	-171.1	0	0	0	0	111.8	F206 D207 L208 Y212 N213 A214	F206-S210 PolarHBondContact O-N 3.48Å; D207-S210 PolarHBondContact O-N 3.07Å; L208-S210 VanDerWaalsContact C-N 3.34Å; S210-Y212 PolarHBondContact O-N 3.45Å; S210-N213 PolarHBondContact O-N 3.02Å; S210-A214 PolarHBondContact O-N 3.34Å
211	A	97.5	Very high	94.7	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.008	32%	0.32	C	S	.	.	H	α-helix	trans	-62.3	-41.1	177.6	0	0	0	0	0	112.6	F136 T179 D207 L208 A214 F215	F136-A211 HydrophobicContact CE1-CB 3.94Å; F136-A211 HydrophobicContact CZ-CB 4.03Å; T179-A211 HydrophobicContact CG2-CB 4.35Å; D207-A211 WeakPolarHBondContact O-CB 3.47Å; D207-A211 PolarHBondContact O-N 2.94Å; L208-A211 PolarHBondContact O-N 3.08Å; A211-A214 WeakPolarHBondContact O-CB 3.43Å; A211-A214 PolarHBondContact O-N 2.74Å; A211-F215 PolarHBondContact O-N 3.39Å
212	Y	97.6	Very high	94.5	Very high	46 Å²	46	67.1 Å²	67.1	18%	0.18	33%	0.333	C	S	.	.	H	α-helix	trans	-64.2	-42.6	175.6	178.7	-115.4	0	0	0	111.8	V133 F136 M140 L208 E209 S210 A214 F215 N216	V133-Y212 HydrophobicContact CB-CE2 4.35Å; V133-Y212 HydrophobicContact CG1-CE2 4.06Å; V133-Y212 HydrophobicContact CG2-CE2 4.17Å; F136-Y212 HydrophobicContact CB-CD2 3.69Å; F136-Y212 HydrophobicContact CB-CE2 4.3Å; F136-Y212 HydrophobicContact CB-CG 4.28Å; F136-Y212 AromaticContact CD2-CD2 3.77Å; F136-Y212 HydrophobicContact CD2-CD2 3.77Å; F136-Y212 AromaticContact CG-CD2 3.8Å; F136-Y212 HydrophobicContact CG-CD2 3.8Å; F136-Y212 HydrophobicContact CG-CG 4.32Å; M140-Y212 HydrophobicContact CE-CD1 4.41Å; M140-Y212 HydrophobicContact CE-CG 4.46Å; L208-Y212 VanDerWaalsContact O-CB 3.26Å; L208-Y212 WeakPolarHBondContact O-CB 3.39Å; L208-Y212 PolarHBondContact O-N 3.39Å; E209-Y212 PolarHBondContact O-N 3.23Å; S210-Y212 PolarHBondContact O-N 3.45Å; Y212-A214 VanDerWaalsContact C-N 3.34Å; Y212-A214 PolarHBondContact O-N 3.23Å; Y212-F215 WeakPolarHBondContact O-CB 3.36Å; Y212-F215 PolarHBondContact O-N 3.24Å; Y212-N216 WeakPolarHBondContact CE1-ND2 3.43Å; Y212-N216 VanDerWaalsContact CZ-ND2 3.26Å; Y212-N216 PolarHBondContact O-N 2.87Å; Y212-N216 PolarHBondContact O-ND2 3.16Å
213	N	96.5	Very high	94.3	Very high	68 Å²	68	60.8 Å²	60.8	36%	0.364	31%	0.314	S	S	.	.	H	α-helix	trans	-64.8	-38.1	175.3	-74.9	-37	0	0	0	112.2	E209 S210 F215 N216 R217	E209-N213 WeakPolarHBondContact O-CB 3.44Å; E209-N213 VanDerWaalsContact O-CG 3.22Å; E209-N213 PolarHBondContact O-N 3.29Å; E209-N213 PolarHBondContact O-ND2 3.44Å; S210-N213 PolarHBondContact O-N 3.02Å; N213-F215 VanDerWaalsContact C-N 3.34Å; N213-N216 PolarHBondContact O-N 2.97Å; N213-R217 WeakPolarHBondContact O-CG 3.41Å; N213-R217 PolarHBondContact O-N 2.71Å
214	A	95.3	Very high	94.1	Very high	6 Å²	6	58.9 Å²	58.9	5%	0.05	31%	0.307	C	S	.	.	H	α-helix	trans	-61.7	-42.7	172.3	0	0	0	0	0	112.2	F174 E175 S210 A211 Y212 R217 F218	F174-A214 HydrophobicContact CE2-CB 3.86Å; F174-A214 HydrophobicContact CZ-CB 4.09Å; E175-A214 HydrophobicContact CG-CB 3.95Å; E175-A214 WeakPolarHBondContact OE1-CB 3.36Å; S210-A214 PolarHBondContact O-N 3.34Å; A211-A214 WeakPolarHBondContact O-CB 3.43Å; A211-A214 PolarHBondContact O-N 2.74Å; Y212-A214 VanDerWaalsContact C-N 3.34Å; Y212-A214 PolarHBondContact O-N 3.23Å; A214-R217 VanDerWaalsContact CA-NH2 3.35Å; A214-R217 PolarHBondContact O-N 3.31Å; A214-F218 PolarHBondContact O-N 3.4Å
215	F	95.7	Very high	93.9	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-61.8	-46.3	175.9	-171.3	-107	0	0	0	111.4	V132 V133 M167 L170 F174 A211 Y212 N213 R217 F218 L219	V132-F215 HydrophobicContact CB-CE1 4.08Å; V132-F215 HydrophobicContact CB-CZ 3.96Å; V132-F215 HydrophobicContact CG1-CD1 3.92Å; V132-F215 HydrophobicContact CG1-CD2 4.25Å; V132-F215 HydrophobicContact CG1-CE1 3.57Å; V132-F215 HydrophobicContact CG1-CE2 3.94Å; V132-F215 HydrophobicContact CG1-CG 4.24Å; V132-F215 HydrophobicContact CG1-CZ 3.59Å; V132-F215 HydrophobicContact CG2-CZ 4.43Å; V133-F215 HydrophobicContact CG2-CD1 4.43Å; V133-F215 HydrophobicContact CG2-CE1 4.1Å; M167-F215 HydrophobicContact CE-CE2 4.24Å; M167-F215 HydrophobicContact CE-CZ 4.11Å; M167-F215 HydrophobicContact SD-CE2 3.7Å; M167-F215 HydrophobicContact SD-CZ 3.83Å; L170-F215 HydrophobicContact CD1-CD2 4Å; L170-F215 HydrophobicContact CD1-CE2 3.98Å; F174-F215 HydrophobicContact CE1-CD2 4.28Å; F174-F215 HydrophobicContact CZ-CB 3.82Å; F174-F215 HydrophobicContact CZ-CD2 4.12Å; F174-F215 HydrophobicContact CZ-CG 4.49Å; A211-F215 PolarHBondContact O-N 3.39Å; Y212-F215 WeakPolarHBondContact O-CB 3.36Å; Y212-F215 PolarHBondContact O-N 3.24Å; N213-F215 VanDerWaalsContact C-N 3.34Å; F215-R217 PolarHBondContact O-N 2.76Å; F215-F218 HydrophobicContact CD2-CD1 4.49Å; F215-F218 HydrophobicContact CE2-CD1 4.46Å; F215-F218 WeakPolarHBondContact O-CB 3.39Å; F215-F218 PolarHBondContact O-N 3.19Å; F215-F218 VanDerWaalsContact O-N 3.13Å; F215-L219 HydrophobicContact CD1-CD1 3.96Å; F215-L219 HydrophobicContact CD1-CG 4.32Å; F215-L219 HydrophobicContact CE1-CD1 3.64Å; F215-L219 HydrophobicContact CE1-CD2 4.29Å; F215-L219 HydrophobicContact CE1-CG 4.09Å; F215-L219 HydrophobicContact CZ-CD1 4.34Å; F215-L219 HydrophobicContact CZ-CD2 4.17Å; F215-L219 HydrophobicContact CZ-CG 4.42Å; F215-L219 WeakPolarHBondContact O-CG 3.2Å; F215-L219 PolarHBondContact O-N 2.91Å
216	N	94.4	Very high	93.6	Very high	37 Å²	37	64.4 Å²	64.4	20%	0.198	34%	0.335	C	S	.	.	H	α-helix	trans	-61.6	-41.2	175.8	-76	-32.3	0	0	0	112.6	Y212 N213 F218 L219 H220	Y212-N216 WeakPolarHBondContact CE1-ND2 3.43Å; Y212-N216 VanDerWaalsContact CZ-ND2 3.26Å; Y212-N216 PolarHBondContact O-N 2.87Å; Y212-N216 PolarHBondContact O-ND2 3.16Å; N213-N216 PolarHBondContact O-N 2.97Å; N216-F218 VanDerWaalsContact C-N 3.28Å; N216-F218 PolarHBondContact O-N 3.14Å; N216-L219 PolarHBondContact O-N 3.29Å; N216-H220 PolarHBondContact O-CD2 3.11Å; N216-H220 PolarHBondContact O-N 2.96Å
217	R	93.4	Very high	93.3	Very high	147 Å²	147	59.6 Å²	59.6	56%	0.555	32%	0.318	S	S	*	.	H	α-helix	trans	-58.7	-42.4	173.5	-74.3	-171.4	-60.1	-92.1	5.5	111.5	E175 N213 A214 F215 H220 A221	E175-R217 IonicContact OE1-NH2 2.79Å; E175-R217 PolarHBondContact OE1-NH2 2.96Å; N213-R217 WeakPolarHBondContact O-CG 3.41Å; N213-R217 PolarHBondContact O-N 2.71Å; A214-R217 VanDerWaalsContact CA-NH2 3.35Å; A214-R217 PolarHBondContact O-N 3.31Å; F215-R217 PolarHBondContact O-N 2.76Å; R217-H220 PolarHBondContact O-N 3.4Å; R217-A221 PolarHBondContact O-N 3.4Å; R217-A221 VanDerWaalsContact O-N 3.16Å
218	F	90.9	Very high	92.9	Very high	55 Å²	55	61.8 Å²	61.8	24%	0.241	33%	0.329	C	S	.	.	H	α-helix	trans	-62.3	-40.8	176.2	162	-99.4	0	0	0	112.5	M167 H169 L170 P171 A214 F215 N216 H220 A221	M167-F218 HydrophobicContact CE-CE1 3.79Å; H169-F218 HydrophobicContact CB-CZ 4.42Å; H169-F218 WeakPolarHBondContact O-CZ 3.44Å; L170-F218 HydrophobicContact CD1-CD1 3.81Å; L170-F218 HydrophobicContact CD1-CE1 3.83Å; L170-F218 HydrophobicContact CD1-CG 4.28Å; L170-F218 HydrophobicContact CD1-CZ 4.32Å; P171-F218 HydrophobicContact CG-CD2 4.31Å; P171-F218 HydrophobicContact CG-CE2 4.2Å; A214-F218 PolarHBondContact O-N 3.4Å; F215-F218 HydrophobicContact CD2-CD1 4.49Å; F215-F218 HydrophobicContact CE2-CD1 4.46Å; F215-F218 WeakPolarHBondContact O-CB 3.39Å; F215-F218 PolarHBondContact O-N 3.19Å; F215-F218 VanDerWaalsContact O-N 3.13Å; N216-F218 VanDerWaalsContact C-N 3.28Å; N216-F218 PolarHBondContact O-N 3.14Å; F218-H220 PolarHBondContact O-N 3.05Å; F218-A221 PolarHBondContact O-N 3.41Å
219	L	89.4	Confident	92.5	Very high	54 Å²	54	66.5 Å²	66.5	28%	0.283	36%	0.355	S	S	.	.	H	α-helix	trans	-67	-23.8	178.2	-65.5	-179.6	0	0	0	114	I129 M167 F215 N216	I129-L219 HydrophobicContact CD1-CD2 3.78Å; I129-L219 HydrophobicContact CG1-CD2 3.86Å; I129-L219 HydrophobicContact CG2-CD1 3.74Å; I129-L219 HydrophobicContact CG2-CD2 4.31Å; M167-L219 HydrophobicContact CE-CD2 4.08Å; F215-L219 HydrophobicContact CD1-CD1 3.96Å; F215-L219 HydrophobicContact CD1-CG 4.32Å; F215-L219 HydrophobicContact CE1-CD1 3.64Å; F215-L219 HydrophobicContact CE1-CD2 4.29Å; F215-L219 HydrophobicContact CE1-CG 4.09Å; F215-L219 HydrophobicContact CZ-CD1 4.34Å; F215-L219 HydrophobicContact CZ-CD2 4.17Å; F215-L219 HydrophobicContact CZ-CG 4.42Å; F215-L219 WeakPolarHBondContact O-CG 3.2Å; F215-L219 PolarHBondContact O-N 2.91Å; N216-L219 PolarHBondContact O-N 3.29Å
220	H	84	Confident	92.1	Very high	163 Å²	163	64.4 Å²	64.4	76%	0.755	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-2.5	-178.6	-67.5	-55.5	0	0	0	114.1	N216 R217 F218	N216-H220 PolarHBondContact O-CD2 3.11Å; N216-H220 PolarHBondContact O-N 2.96Å; R217-H220 PolarHBondContact O-N 3.4Å; F218-H220 PolarHBondContact O-N 3.05Å
221	A	72.8	Confident	91.6	Very high	140 Å²	140	65.2 Å²	65.2	100%	1.157	35%	0.345	S	S	*	.			trans	-83.2	0	177.3	0	0	0	0	0	111.7	R217 F218	R217-A221 PolarHBondContact O-N 3.4Å; R217-A221 VanDerWaalsContact O-N 3.16Å; F218-A221 PolarHBondContact O-N 3.41Å

Retrieved 221 of 221 residues in 67.4 ms (Link to these results)

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