A0A077YYB5_TRITR Loading...

GDP-fucose protein O-fucosyltransferase 1

AlphaFold DB , UniProt , Accession A0A077YYB5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 505 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	31.6	Very low	33.1	Very low	229 Å²	229	176.1 Å²	176.1	100%	1.128	86%	0.859	S	S	*	*				0	124	0	-66.2	175.6	174.5	0	0	106.9
2	D	37.1	Very low	33.5	Very low	148 Å²	148	175.6 Å²	175.6	79%	0.791	86%	0.861	S	S	*	*			cis	-156.6	155.3	-5.4	-94.7	-21.2	0	0	0	107.5
3	S	30.7	Very low	33.9	Very low	93 Å²	93	174.5 Å²	174.5	65%	0.65	86%	0.862	S	S	*	*			trans	-48	144.3	157.8	48.4	0	0	0	0	113.2
4	N	36	Very low	33.8	Very low	148 Å²	148	175.2 Å²	175.2	79%	0.791	86%	0.861	S	S	*	*				-171.3	120.7	123.6	-96.8	-22.1	0	0	0	115.1
5	V	36.9	Very low	34.1	Very low	120 Å²	120	171.7 Å²	171.7	73%	0.727	86%	0.857	S	S	*	*			trans	72.6	106.9	134	-169.6	0	0	0	0	119.9
6	Y	31.8	Very low	34.2	Very low	239 Å²	239	168.4 Å²	168.4	94%	0.937	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-66.6	120.8	164	-66.1	-86.9	0	0	0	111.4
7	K	28.7	Very low	34.5	Very low	196 Å²	196	161.6 Å²	161.6	85%	0.852	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-101.8	125.3	175.4	-163.1	175.5	-174.4	178	0	108.3	S9	K7-S9 PolarHBondContact O-N 3.33Å
8	Y	29.1	Very low	35.4	Very low	234 Å²	234	159.4 Å²	159.4	92%	0.918	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-57.1	124.1	174.3	-81.2	-94.6	0	0	0	110.6
9	S	37.1	Very low	36.2	Very low	121 Å²	121	157.4 Å²	157.4	85%	0.846	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-76.8	124.4	176.9	-56.3	0	0	0	0	110.2	K7	K7-S9 PolarHBondContact O-N 3.33Å
10	R	30	Very low	37	Very low	232 Å²	232	153.7 Å²	153.7	88%	0.875	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-66.6	140.8	164.7	-88.7	-180	174.9	164.4	-2.3	109.4	L12	R10-L12 PolarHBondContact O-N 3.43Å
11	L	34.8	Very low	37.9	Very low	177 Å²	177	152.5 Å²	152.5	93%	0.927	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-52.8	122.3	172.1	-74	158.4	0	0	0	109.5
12	L	38.4	Very low	39.2	Very low	170 Å²	170	148 Å²	148	89%	0.89	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-80.8	137.9	177.9	-71.1	169	0	0	0	109.5	R10	R10-L12 PolarHBondContact O-N 3.43Å
13	D	38.5	Very low	40.5	Very low	162 Å²	162	144 Å²	144	87%	0.866	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-55.3	148.6	178.3	-73.3	-47.5	0	0	0	113.5
14	E	32.2	Very low	42.4	Very low	184 Å²	184	142.8 Å²	142.8	86%	0.86	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-53.9	143.4	-176.7	-59.5	-175	147.1	0	0	115.1
15	P	38.9	Very low	44.2	Very low	122 Å²	122	140.1 Å²	140.1	79%	0.792	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-94.3	119.2	142.6	17.1	0.3	0	0	0	109.8
16	S	36.1	Very low	46	Very low	120 Å²	120	140.9 Å²	140.9	84%	0.839	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-46.8	126.7	165.1	46.8	0	0	0	0	113.4
17	G	38.2	Very low	48.2	Very low	52 Å²	52	134.9 Å²	134.9	54%	0.536	73%	0.732	S	S	.	*			trans	156.8	79.5	164	0	0	0	0	0	115.1	T19	G17-T19 VanDerWaalsContact C-N 3.26Å; G17-T19 PolarHBondContact O-N 3.05Å; G17-T19 PolarHBondContact O-OG1 3.25Å
18	S	50.9	Low	50.3	Low	123 Å²	123	131.3 Å²	131.3	86%	0.86	72%	0.718	S	S	*	*	S	Bend	trans	27.6	18.2	154.6	68.3	0	0	0	0	123.6
19	T	50.1	Low	52.6	Low	121 Å²	121	125.5 Å²	125.5	74%	0.742	70%	0.7	S	S	*	*			trans	-114.4	0.2	170.3	39.3	0	0	0	0	113.6	G17	G17-T19 VanDerWaalsContact C-N 3.26Å; G17-T19 PolarHBondContact O-N 3.05Å; G17-T19 PolarHBondContact O-OG1 3.25Å
20	S	54.1	Low	54.6	Low	82 Å²	82	127 Å²	127	57%	0.573	69%	0.691	S	S	*	*	H	α-helix	trans	-82.9	-15	179.7	-76.6	0	0	0	0	115.7	S23 S24	S20-S23 PolarHBondContact O-N 3.42Å; S20-S23 PolarHBondContact O-OG 3.15Å; S20-S24 PolarHBondContact O-N 3.41Å
21	I	55.1	Low	56.9	Low	129 Å²	129	119.1 Å²	119.1	66%	0.662	67%	0.668	S	S	*	*	H	α-helix	trans	-68.9	-38.8	-176.1	-61.8	176.3	0	0	0	110.7	S23 L25	I21-S23 PolarHBondContact O-N 2.98Å; I21-L25 PolarHBondContact O-N 3.06Å
22	D	59.8	Low	58.9	Low	135 Å²	135	115.3 Å²	115.3	72%	0.722	65%	0.648	S	S	*	*	H	α-helix	trans	-67.8	-35.9	178.8	-77.4	-22	0	0	0	112.7	H26	D22-H26 PolarHBondContact O-N 2.9Å; D22-H26 VanDerWaalsContact O-N 3.16Å
23	S	64.2	Low	60.9	Low	64 Å²	64	110.2 Å²	110.2	45%	0.448	63%	0.63	S	S	.	*	H	α-helix	trans	-71.5	-39	180	66.1	0	0	0	0	112.1	S20 I21 L25 H26 I27	S20-S23 PolarHBondContact O-N 3.42Å; S20-S23 PolarHBondContact O-OG 3.15Å; I21-S23 PolarHBondContact O-N 2.98Å; S23-L25 PolarHBondContact O-N 3.31Å; S23-H26 PolarHBondContact O-N 3.2Å; S23-I27 WeakPolarHBondContact O-CG1 3.37Å; S23-I27 PolarHBondContact O-N 3.46Å; S23-I27 VanDerWaalsContact O-N 3.11Å
24	S	69	Low	62.7	Low	67 Å²	67	108 Å²	108	47%	0.469	62%	0.615	S	S	.	*	H	α-helix	trans	-64.4	-39.7	176.3	-173.4	0	0	0	0	112.1	S20 I27 Q28	S20-S24 PolarHBondContact O-N 3.41Å; S24-I27 PolarHBondContact O-N 2.89Å; S24-Q28 PolarHBondContact O-N 3.41Å; S24-Q28 VanDerWaalsContact O-N 3.09Å
25	L	73.5	Confident	64.7	Low	93 Å²	93	104.9 Å²	104.9	49%	0.487	60%	0.6	S	S	.	*	H	α-helix	trans	-69.6	-36.7	-179.1	-145.7	138.1	0	0	0	111.4	I21 S23 Q28 Q29	I21-L25 PolarHBondContact O-N 3.06Å; S23-L25 PolarHBondContact O-N 3.31Å; L25-Q28 PolarHBondContact O-N 2.97Å; L25-Q29 PolarHBondContact O-N 2.98Å
26	H	76.3	Confident	66.7	Low	135 Å²	135	104 Å²	104	63%	0.625	59%	0.589	S	S	*	*	H	α-helix	trans	-70.6	-37	177.1	-159.4	44.8	0	0	0	112.9	D22 S23 Q29 K30	D22-H26 PolarHBondContact O-N 2.9Å; D22-H26 VanDerWaalsContact O-N 3.16Å; S23-H26 PolarHBondContact O-N 3.2Å; H26-Q29 PolarHBondContact O-N 3.4Å; H26-K30 PolarHBondContact O-N 3Å; H26-K30 VanDerWaalsContact O-N 3.13Å
27	I	76.4	Confident	68.7	Low	113 Å²	113	103 Å²	103	58%	0.579	57%	0.571	S	S	*	*	H	α-helix	trans	-65.1	-43.6	173.8	-67.3	166.7	0	0	0	110.4	S23 S24 Q29 K30 V31	S23-I27 WeakPolarHBondContact O-CG1 3.37Å; S23-I27 PolarHBondContact O-N 3.46Å; S23-I27 VanDerWaalsContact O-N 3.11Å; S24-I27 PolarHBondContact O-N 2.89Å; I27-Q29 PolarHBondContact O-N 2.82Å; I27-K30 PolarHBondContact O-N 3.25Å; I27-V31 HydrophobicContact CG2-CG2 4.49Å; I27-V31 WeakPolarHBondContact O-CG2 3.49Å; I27-V31 PolarHBondContact O-N 3.19Å
28	Q	73.5	Confident	70.6	Confident	122 Å²	122	104.6 Å²	104.6	57%	0.57	57%	0.567	S	S	*	*	H	α-helix	trans	-60.3	-42.6	176	-81.6	-175.8	-24.5	0	0	112.3	S24 L25 K30 V31 I32	S24-Q28 PolarHBondContact O-N 3.41Å; S24-Q28 VanDerWaalsContact O-N 3.09Å; L25-Q28 PolarHBondContact O-N 2.97Å; Q28-K30 VanDerWaalsContact C-N 3.31Å; Q28-K30 PolarHBondContact O-N 3.4Å; Q28-V31 PolarHBondContact O-N 3.24Å; Q28-I32 WeakPolarHBondContact O-CB 3.42Å; Q28-I32 WeakPolarHBondContact O-CD1 3.49Å; Q28-I32 WeakPolarHBondContact O-CG1 3.49Å; Q28-I32 PolarHBondContact O-N 3.35Å
29	Q	78.1	Confident	71.7	Confident	112 Å²	112	103.9 Å²	103.9	52%	0.523	55%	0.553	S	S	.	*	H	α-helix	trans	-60.9	-39	175.4	-80.2	177.8	-27.6	0	0	112.8	L25 H26 I27 I32 A33	L25-Q29 PolarHBondContact O-N 2.98Å; H26-Q29 PolarHBondContact O-N 3.4Å; I27-Q29 PolarHBondContact O-N 2.82Å; Q29-I32 PolarHBondContact O-N 3.23Å; Q29-A33 WeakPolarHBondContact O-CB 3.48Å; Q29-A33 PolarHBondContact O-N 3.18Å
30	K	78.6	Confident	73.2	Confident	152 Å²	152	105 Å²	105	66%	0.661	55%	0.549	S	S	*	.	H	α-helix	trans	-66.8	-42.6	177.8	-167.3	179.5	179.8	-176.6	0	111.9	H26 I27 Q28 A33 E34	H26-K30 PolarHBondContact O-N 3Å; H26-K30 VanDerWaalsContact O-N 3.13Å; I27-K30 PolarHBondContact O-N 3.25Å; Q28-K30 VanDerWaalsContact C-N 3.31Å; Q28-K30 PolarHBondContact O-N 3.4Å; K30-A33 PolarHBondContact O-N 2.97Å; K30-E34 WeakPolarHBondContact O-CB 3.42Å; K30-E34 PolarHBondContact O-N 3.13Å
31	V	78.8	Confident	74.3	Confident	66 Å²	66	106.1 Å²	106.1	40%	0.4	54%	0.544	S	S	.	.	H	α-helix	trans	-64.9	-39.6	176.6	175.1	0	0	0	0	111.2	I27 Q28 E34 Q35	I27-V31 HydrophobicContact CG2-CG2 4.49Å; I27-V31 WeakPolarHBondContact O-CG2 3.49Å; I27-V31 PolarHBondContact O-N 3.19Å; Q28-V31 PolarHBondContact O-N 3.24Å; V31-E34 PolarHBondContact O-N 3.29Å; V31-Q35 WeakPolarHBondContact O-CG 3.35Å; V31-Q35 PolarHBondContact O-N 2.94Å
32	I	77.5	Confident	75.3	Confident	98 Å²	98	104.9 Å²	104.9	50%	0.503	54%	0.538	S	S	.	.	H	α-helix	trans	-63.4	-44.6	176	-68.7	163.5	0	0	0	110.9	Q28 Q29 E34 Q35 D36	Q28-I32 WeakPolarHBondContact O-CB 3.42Å; Q28-I32 WeakPolarHBondContact O-CD1 3.49Å; Q28-I32 WeakPolarHBondContact O-CG1 3.49Å; Q28-I32 PolarHBondContact O-N 3.35Å; Q29-I32 PolarHBondContact O-N 3.23Å; I32-E34 VanDerWaalsContact C-N 3.33Å; I32-E34 PolarHBondContact O-N 3.26Å; I32-Q35 PolarHBondContact O-N 3.11Å; I32-D36 PolarHBondContact O-N 3.07Å
33	A	78.7	Confident	76.4	Confident	62 Å²	62	100.4 Å²	100.4	51%	0.512	52%	0.524	S	S	.	.	H	α-helix	trans	-63.2	-38.2	177.9	0	0	0	0	0	112.7	Q29 K30 D36 E37	Q29-A33 WeakPolarHBondContact O-CB 3.48Å; Q29-A33 PolarHBondContact O-N 3.18Å; K30-A33 PolarHBondContact O-N 2.97Å; A33-D36 PolarHBondContact O-N 3.46Å; A33-E37 PolarHBondContact O-N 2.93Å
34	E	77.3	Confident	77.1	Confident	117 Å²	117	101.2 Å²	101.2	55%	0.547	53%	0.526	S	S	.	.	H	α-helix	trans	-71.1	-31.7	177.8	-148.5	171	-156.5	0	0	112	K30 V31 I32 N38	K30-E34 WeakPolarHBondContact O-CB 3.42Å; K30-E34 PolarHBondContact O-N 3.13Å; V31-E34 PolarHBondContact O-N 3.29Å; I32-E34 VanDerWaalsContact C-N 3.33Å; I32-E34 PolarHBondContact O-N 3.26Å; E34-N38 PolarHBondContact O-N 3.42Å; E34-N38 PolarHBondContact O-ND2 3.37Å
35	Q	74.6	Confident	77.6	Confident	118 Å²	118	102.9 Å²	102.9	55%	0.551	53%	0.53	S	S	*	.	H	α-helix	trans	-71.5	-38.5	173	-74.7	179.8	-6.2	0	0	112.5	V31 I32 N38 L39	V31-Q35 WeakPolarHBondContact O-CG 3.35Å; V31-Q35 PolarHBondContact O-N 2.94Å; I32-Q35 PolarHBondContact O-N 3.11Å; Q35-N38 PolarHBondContact O-N 3.42Å; Q35-L39 PolarHBondContact O-N 3.21Å
36	D	79	Confident	78	Confident	103 Å²	103	102.5 Å²	102.5	55%	0.551	53%	0.531	S	S	*	.	H	α-helix	trans	-63.5	-41.1	176	-99.2	3.8	0	0	0	112.2	I32 A33 N38 L39 E40	I32-D36 PolarHBondContact O-N 3.07Å; A33-D36 PolarHBondContact O-N 3.46Å; D36-N38 VanDerWaalsContact C-N 3.28Å; D36-N38 PolarHBondContact O-N 3.26Å; D36-L39 WeakPolarHBondContact O-CB 3.41Å; D36-L39 PolarHBondContact O-N 3.13Å; D36-E40 PolarHBondContact O-N 3.35Å
37	E	79.4	Confident	78.3	Confident	100 Å²	100	104.7 Å²	104.7	47%	0.467	53%	0.534	S	S	.	.	H	α-helix	trans	-61.4	-38.6	176.1	-166.5	-164.7	146.9	0	0	111.7	A33 K41	A33-E37 PolarHBondContact O-N 2.93Å; E37-K41 PolarHBondContact O-N 3.1Å; E37-K41 WeakPolarHBondContact OE1-CE 3.42Å; E37-K41 IonicContact OE1-NZ 2.7Å; E37-K41 PolarHBondContact OE1-NZ 3.16Å
38	N	77.1	Confident	78.6	Confident	84 Å²	84	103.4 Å²	103.4	45%	0.449	53%	0.531	S	S	.	.	H	α-helix	trans	-71.6	-34.9	177.1	-72.8	-40.3	0	0	0	112.2	E34 Q35 D36 K41 I42	E34-N38 PolarHBondContact O-N 3.42Å; E34-N38 PolarHBondContact O-ND2 3.37Å; Q35-N38 PolarHBondContact O-N 3.42Å; D36-N38 VanDerWaalsContact C-N 3.28Å; D36-N38 PolarHBondContact O-N 3.26Å; N38-K41 PolarHBondContact O-N 3.24Å; N38-I42 WeakPolarHBondContact O-CG1 3.43Å; N38-I42 PolarHBondContact O-N 3.38Å; N38-I42 VanDerWaalsContact O-N 3.12Å
39	L	74.2	Confident	79	Confident	108 Å²	108	103.1 Å²	103.1	57%	0.565	53%	0.533	S	S	*	.	H	α-helix	trans	-64.3	-39.2	174.5	-88.7	157.7	0	0	0	112.4	Q35 D36 I42 G43	Q35-L39 PolarHBondContact O-N 3.21Å; D36-L39 WeakPolarHBondContact O-CB 3.41Å; D36-L39 PolarHBondContact O-N 3.13Å; L39-I42 PolarHBondContact O-N 3.22Å; L39-G43 PolarHBondContact O-N 3Å
40	E	82	Confident	79.5	Confident	144 Å²	144	103.5 Å²	103.5	67%	0.673	53%	0.533	S	S	*	.	H	α-helix	trans	-65.1	-39.3	177	-169.3	178.8	-175.8	0	0	112.3	D36 G43 T44	D36-E40 PolarHBondContact O-N 3.35Å; E40-G43 PolarHBondContact O-N 3.21Å; E40-T44 PolarHBondContact O-N 3.14Å; E40-T44 PolarHBondContact O-OG1 3.43Å
41	K	77.2	Confident	79.8	Confident	106 Å²	106	100 Å²	100	46%	0.461	52%	0.521	S	S	.	.	H	α-helix	trans	-63.3	-41.7	173.9	-70.3	173	-171	162.5	0	111.6	E37 N38 T44 N45	E37-K41 PolarHBondContact O-N 3.1Å; E37-K41 WeakPolarHBondContact OE1-CE 3.42Å; E37-K41 IonicContact OE1-NZ 2.7Å; E37-K41 PolarHBondContact OE1-NZ 3.16Å; N38-K41 PolarHBondContact O-N 3.24Å; K41-T44 PolarHBondContact O-N 3.32Å; K41-N45 PolarHBondContact O-N 3.43Å; K41-N45 VanDerWaalsContact O-N 3.11Å; K41-N45 PolarHBondContact O-ND2 2.92Å
42	I	76.6	Confident	79.7	Confident	103 Å²	103	102.5 Å²	102.5	53%	0.528	53%	0.53	S	S	.	.	H	α-helix	trans	-63.5	-43.7	174.4	-67	168.6	0	0	0	110.4	N38 L39 T44 N45 V46	N38-I42 WeakPolarHBondContact O-CG1 3.43Å; N38-I42 PolarHBondContact O-N 3.38Å; N38-I42 VanDerWaalsContact O-N 3.12Å; L39-I42 PolarHBondContact O-N 3.22Å; I42-T44 VanDerWaalsContact C-N 3.33Å; I42-T44 PolarHBondContact O-N 2.99Å; I42-N45 PolarHBondContact O-N 3.46Å; I42-V46 HydrophobicContact CG2-CG2 4.3Å; I42-V46 VanDerWaalsContact O-CG2 3.3Å; I42-V46 WeakPolarHBondContact O-CG2 3.49Å; I42-V46 PolarHBondContact O-N 3.38Å
43	G	82.5	Confident	80	Confident	42 Å²	42	101 Å²	101	43%	0.433	53%	0.529	S	S	.	.	H	α-helix	trans	-59.2	-40.9	177.1	0	0	0	0	0	113.3	L39 E40 V46 R47	L39-G43 PolarHBondContact O-N 3Å; E40-G43 PolarHBondContact O-N 3.21Å; G43-V46 PolarHBondContact O-N 3.46Å; G43-R47 PolarHBondContact O-N 2.92Å
44	T	78.8	Confident	80.5	Confident	80 Å²	80	102.9 Å²	102.9	49%	0.491	53%	0.527	S	S	.	.	H	α-helix	trans	-64.8	-44.4	176.6	-56	0	0	0	0	111.4	E40 K41 I42 V46 R47 V48	E40-T44 PolarHBondContact O-N 3.14Å; E40-T44 PolarHBondContact O-OG1 3.43Å; K41-T44 PolarHBondContact O-N 3.32Å; I42-T44 VanDerWaalsContact C-N 3.33Å; I42-T44 PolarHBondContact O-N 2.99Å; T44-V46 PolarHBondContact O-N 2.76Å; T44-R47 PolarHBondContact O-N 3.01Å; T44-V48 WeakPolarHBondContact O-CG2 3.43Å; T44-V48 PolarHBondContact O-N 2.93Å
45	N	80.4	Confident	80.8	Confident	102 Å²	102	102.3 Å²	102.3	55%	0.545	53%	0.528	S	S	.	.	H	α-helix	trans	-64.8	-38.8	177.7	-69.9	-18.5	0	0	0	112.2	K41 I42 R47 V48 L49	K41-N45 PolarHBondContact O-N 3.43Å; K41-N45 VanDerWaalsContact O-N 3.11Å; K41-N45 PolarHBondContact O-ND2 2.92Å; I42-N45 PolarHBondContact O-N 3.46Å; N45-R47 VanDerWaalsContact C-N 3.32Å; N45-R47 PolarHBondContact O-N 3.48Å; N45-V48 PolarHBondContact O-N 2.92Å; N45-L49 WeakPolarHBondContact O-CB 3.49Å; N45-L49 WeakPolarHBondContact O-CG 3.45Å; N45-L49 PolarHBondContact O-N 2.86Å
46	V	81.7	Confident	81.2	Confident	86 Å²	86	101.3 Å²	101.3	52%	0.521	53%	0.525	S	S	.	.	H	α-helix	trans	-63.6	-38.6	174.9	171.9	0	0	0	0	111.2	I42 G43 T44 L49 K50	I42-V46 HydrophobicContact CG2-CG2 4.3Å; I42-V46 VanDerWaalsContact O-CG2 3.3Å; I42-V46 WeakPolarHBondContact O-CG2 3.49Å; I42-V46 PolarHBondContact O-N 3.38Å; G43-V46 PolarHBondContact O-N 3.46Å; T44-V46 PolarHBondContact O-N 2.76Å; V46-L49 PolarHBondContact O-N 3.3Å; V46-K50 WeakPolarHBondContact O-CB 3.48Å; V46-K50 PolarHBondContact O-N 3.07Å
47	R	81.6	Confident	81.5	Confident	180 Å²	180	100.2 Å²	100.2	68%	0.679	53%	0.525	S	S	*	.	H	α-helix	trans	-65.4	-41.8	176.1	-163.5	177.4	98.1	140.9	3.6	112.3	G43 T44 N45 K50 N51	G43-R47 PolarHBondContact O-N 2.92Å; T44-R47 PolarHBondContact O-N 3.01Å; N45-R47 VanDerWaalsContact C-N 3.32Å; N45-R47 PolarHBondContact O-N 3.48Å; R47-K50 PolarHBondContact O-N 3.24Å; R47-N51 PolarHBondContact O-N 3.1Å; R47-N51 VanDerWaalsContact O-N 3.09Å
48	V	83.5	Confident	81.9	Confident	87 Å²	87	98.2 Å²	98.2	53%	0.527	52%	0.522	S	S	.	.	H	α-helix	trans	-63.5	-45.6	176.1	173.8	0	0	0	0	110.7	T44 N45 K50 N51 M52	T44-V48 WeakPolarHBondContact O-CG2 3.43Å; T44-V48 PolarHBondContact O-N 2.93Å; N45-V48 PolarHBondContact O-N 2.92Å; V48-K50 VanDerWaalsContact C-N 3.32Å; V48-K50 PolarHBondContact O-N 3.12Å; V48-N51 PolarHBondContact O-N 3.36Å; V48-M52 WeakPolarHBondContact O-CB 3.5Å; V48-M52 PolarHBondContact O-N 3.37Å
49	L	81	Confident	82	Confident	115 Å²	115	98.8 Å²	98.8	60%	0.602	52%	0.522	S	S	*	.	H	α-helix	trans	-61.6	-39.4	176.9	-73.7	169.1	0	0	0	112.2	N45 V46 M52 S53	N45-L49 WeakPolarHBondContact O-CB 3.49Å; N45-L49 WeakPolarHBondContact O-CG 3.45Å; N45-L49 PolarHBondContact O-N 2.86Å; V46-L49 PolarHBondContact O-N 3.3Å; L49-M52 PolarHBondContact O-N 3.44Å; L49-S53 PolarHBondContact O-N 3.09Å
50	K	88	Confident	82.5	Confident	121 Å²	121	98.9 Å²	98.9	53%	0.526	52%	0.523	S	S	.	.	H	α-helix	trans	-61.8	-49.3	175.6	-174.4	177.8	174.8	-177.3	0	111.7	V46 R47 V48 M52 S53 E54	V46-K50 WeakPolarHBondContact O-CB 3.48Å; V46-K50 PolarHBondContact O-N 3.07Å; R47-K50 PolarHBondContact O-N 3.24Å; V48-K50 VanDerWaalsContact C-N 3.32Å; V48-K50 PolarHBondContact O-N 3.12Å; K50-M52 VanDerWaalsContact C-N 3.27Å; K50-M52 PolarHBondContact O-N 3.02Å; K50-S53 PolarHBondContact O-N 3.03Å; K50-S53 VanDerWaalsContact O-N 3.12Å; K50-S53 PolarHBondContact O-OG 3.45Å; K50-E54 WeakPolarHBondContact CE-OE1 3.5Å; K50-E54 IonicContact NZ-OE1 3.94Å; K50-E54 PolarHBondContact O-N 2.98Å
51	N	85.6	Confident	82.8	Confident	78 Å²	78	98.1 Å²	98.1	42%	0.417	52%	0.519	S	S	.	.	H	α-helix	trans	-60.7	-38.4	176.9	-74.3	4.7	0	0	0	111.8	R47 V48 S53 E54 N55	R47-N51 PolarHBondContact O-N 3.1Å; R47-N51 VanDerWaalsContact O-N 3.09Å; V48-N51 PolarHBondContact O-N 3.36Å; N51-S53 VanDerWaalsContact C-N 3.35Å; N51-E54 PolarHBondContact O-N 2.9Å; N51-N55 VanDerWaalsContact O-CG 3.32Å; N51-N55 PolarHBondContact O-N 3.31Å
52	M	76.9	Confident	83.2	Confident	118 Å²	118	98.7 Å²	98.7	58%	0.581	52%	0.524	S	S	*	.	H	α-helix	trans	-66	-38.7	176.8	-150.1	173.6	-170.3	0	0	111.4	V48 L49 K50 I56	V48-M52 WeakPolarHBondContact O-CB 3.5Å; V48-M52 PolarHBondContact O-N 3.37Å; L49-M52 PolarHBondContact O-N 3.44Å; K50-M52 VanDerWaalsContact C-N 3.27Å; K50-M52 PolarHBondContact O-N 3.02Å; M52-I56 HydrophobicContact CG-CD1 4.3Å; M52-I56 WeakPolarHBondContact O-CB 3.43Å; M52-I56 WeakPolarHBondContact O-CD1 3.39Å; M52-I56 WeakPolarHBondContact O-CG1 3.37Å; M52-I56 PolarHBondContact O-N 3.36Å
53	S	84.4	Confident	83.3	Confident	68 Å²	68	98.6 Å²	98.6	48%	0.476	52%	0.52	S	S	.	.	H	α-helix	trans	-67.5	-37.3	176	71.4	0	0	0	0	113.4	L49 K50 N51 S57	L49-S53 PolarHBondContact O-N 3.09Å; K50-S53 PolarHBondContact O-N 3.03Å; K50-S53 VanDerWaalsContact O-N 3.12Å; K50-S53 PolarHBondContact O-OG 3.45Å; N51-S53 VanDerWaalsContact C-N 3.35Å; S53-S57 WeakPolarHBondContact O-CB 3.46Å; S53-S57 PolarHBondContact O-N 3.01Å
54	E	89.3	Confident	83.4	Confident	101 Å²	101	99 Å²	99	47%	0.472	52%	0.52	S	S	.	.	H	α-helix	trans	-68	-43.4	176.6	-72.8	175.4	179	0	0	110.9	K50 N51 S57 S58	K50-E54 WeakPolarHBondContact CE-OE1 3.5Å; K50-E54 IonicContact NZ-OE1 3.94Å; K50-E54 PolarHBondContact O-N 2.98Å; N51-E54 PolarHBondContact O-N 2.9Å; E54-S57 WeakPolarHBondContact O-CB 3.45Å; E54-S57 PolarHBondContact O-N 3.2Å; E54-S58 PolarHBondContact O-N 3.01Å
55	N	82.8	Confident	83.8	Confident	105 Å²	105	99.8 Å²	99.8	56%	0.561	52%	0.52	S	S	*	.	H	α-helix	trans	-66.3	-39.7	176.4	-70.6	-7.2	0	0	0	112.6	N51 S57 S58 E59	N51-N55 VanDerWaalsContact O-CG 3.32Å; N51-N55 PolarHBondContact O-N 3.31Å; N55-S57 VanDerWaalsContact C-N 3.27Å; N55-S57 PolarHBondContact O-N 3.43Å; N55-S58 PolarHBondContact O-N 2.68Å; N55-S58 PolarHBondContact O-OG 2.98Å; N55-E59 WeakPolarHBondContact O-CB 3.48Å; N55-E59 VanDerWaalsContact O-CG 3.3Å; N55-E59 WeakPolarHBondContact O-CG 3.39Å; N55-E59 PolarHBondContact O-N 3.35Å
56	I	83.1	Confident	84	Confident	97 Å²	97	100.9 Å²	100.9	50%	0.497	52%	0.524	S	S	.	.	H	α-helix	trans	-63.4	-38.7	174.4	-69.9	164.6	0	0	0	110	M52 L60	M52-I56 HydrophobicContact CG-CD1 4.3Å; M52-I56 WeakPolarHBondContact O-CB 3.43Å; M52-I56 WeakPolarHBondContact O-CD1 3.39Å; M52-I56 WeakPolarHBondContact O-CG1 3.37Å; M52-I56 PolarHBondContact O-N 3.36Å; I56-L60 HydrophobicContact CG2-CD1 3.89Å; I56-L60 HydrophobicContact CG2-CG 4.34Å; I56-L60 WeakPolarHBondContact O-CB 3.29Å; I56-L60 WeakPolarHBondContact O-CG 3.44Å; I56-L60 PolarHBondContact O-N 3.02Å
57	S	85.7	Confident	84.1	Confident	79 Å²	79	102.2 Å²	102.2	55%	0.552	53%	0.527	S	S	*	.	H	α-helix	trans	-66.2	-38.3	177.2	-167.9	0	0	0	0	112.8	S53 E54 N55 E61	S53-S57 WeakPolarHBondContact O-CB 3.46Å; S53-S57 PolarHBondContact O-N 3.01Å; E54-S57 WeakPolarHBondContact O-CB 3.45Å; E54-S57 PolarHBondContact O-N 3.2Å; N55-S57 VanDerWaalsContact C-N 3.27Å; N55-S57 PolarHBondContact O-N 3.43Å; S57-E61 PolarHBondContact O-N 2.97Å
58	S	88.3	Confident	84.5	Confident	58 Å²	58	98.7 Å²	98.7	41%	0.406	52%	0.522	S	S	.	.	H	α-helix	trans	-71.7	-40.2	177.9	62.6	0	0	0	0	112.5	E54 N55 E61 E62	E54-S58 PolarHBondContact O-N 3.01Å; N55-S58 PolarHBondContact O-N 2.68Å; N55-S58 PolarHBondContact O-OG 2.98Å; S58-E61 WeakPolarHBondContact O-CB 3.48Å; S58-E61 PolarHBondContact O-N 3.05Å; S58-E62 PolarHBondContact O-N 3.12Å; S58-E62 VanDerWaalsContact O-N 3.1Å
59	E	78.3	Confident	84.7	Confident	97 Å²	97	99.3 Å²	99.3	45%	0.453	52%	0.522	S	S	.	.	H	α-helix	trans	-66.3	-36.3	176.8	-73	-76.3	167.5	0	0	112.2	N55 E61 E62 H63	N55-E59 WeakPolarHBondContact O-CB 3.48Å; N55-E59 VanDerWaalsContact O-CG 3.3Å; N55-E59 WeakPolarHBondContact O-CG 3.39Å; N55-E59 PolarHBondContact O-N 3.35Å; E59-E61 VanDerWaalsContact C-N 3.29Å; E59-E61 PolarHBondContact O-N 3Å; E59-E62 PolarHBondContact O-N 3.03Å; E59-H63 WeakPolarHBondContact O-CB 3.05Å; E59-H63 PolarHBondContact O-CD2 3.22Å; E59-H63 PolarHBondContact O-N 3.44Å
60	L	85.6	Confident	84.8	Confident	110 Å²	110	98.9 Å²	98.9	58%	0.576	52%	0.52	S	S	*	.	H	α-helix	trans	-63.7	-34.6	174	-76.2	170.9	0	0	0	112.5	I56 A64	I56-L60 HydrophobicContact CG2-CD1 3.89Å; I56-L60 HydrophobicContact CG2-CG 4.34Å; I56-L60 WeakPolarHBondContact O-CB 3.29Å; I56-L60 WeakPolarHBondContact O-CG 3.44Å; I56-L60 PolarHBondContact O-N 3.02Å; L60-A64 PolarHBondContact O-N 3.46Å; L60-A64 VanDerWaalsContact O-N 3.12Å
61	E	88.7	Confident	84.7	Confident	127 Å²	127	98.5 Å²	98.5	59%	0.593	52%	0.52	S	S	*	.	H	α-helix	trans	-69.4	-42.9	174.2	-170.6	66.3	-155.4	0	0	111.2	S57 S58 E59 H63 A64 I65	S57-E61 PolarHBondContact O-N 2.97Å; S58-E61 WeakPolarHBondContact O-CB 3.48Å; S58-E61 PolarHBondContact O-N 3.05Å; E59-E61 VanDerWaalsContact C-N 3.29Å; E59-E61 PolarHBondContact O-N 3Å; E61-H63 VanDerWaalsContact C-N 3.33Å; E61-H63 PolarHBondContact O-N 3.43Å; E61-A64 WeakPolarHBondContact O-CB 3.44Å; E61-A64 PolarHBondContact O-N 3.38Å; E61-A64 VanDerWaalsContact O-N 3.14Å; E61-I65 WeakPolarHBondContact O-CG1 3.44Å; E61-I65 PolarHBondContact O-N 3.23Å; E61-I65 VanDerWaalsContact O-N 3.13Å
62	E	84.4	Confident	84.9	Confident	119 Å²	119	100.4 Å²	100.4	56%	0.556	53%	0.527	S	S	*	.	H	α-helix	trans	-62.8	-39	175.1	-71.5	-169.6	-175.6	0	0	112.3	S58 E59 A64 I65 M66	S58-E62 PolarHBondContact O-N 3.12Å; S58-E62 VanDerWaalsContact O-N 3.1Å; E59-E62 PolarHBondContact O-N 3.03Å; E62-A64 VanDerWaalsContact C-N 3.31Å; E62-A64 PolarHBondContact O-N 3.28Å; E62-I65 PolarHBondContact O-N 3.44Å; E62-M66 PolarHBondContact O-N 3.34Å
63	H	79	Confident	85.3	Confident	100 Å²	100	96.4 Å²	96.4	46%	0.463	52%	0.516	S	S	.	.	H	α-helix	trans	-64.3	-34.2	174	-78.3	-160.7	0	0	0	112.5	E59 E61 L67	E59-H63 WeakPolarHBondContact O-CB 3.05Å; E59-H63 PolarHBondContact O-CD2 3.22Å; E59-H63 PolarHBondContact O-N 3.44Å; E61-H63 VanDerWaalsContact C-N 3.33Å; E61-H63 PolarHBondContact O-N 3.43Å; H63-L67 VanDerWaalsContact O-CG 3.29Å; H63-L67 WeakPolarHBondContact O-CG 3.06Å; H63-L67 PolarHBondContact O-N 3.23Å; H63-L67 VanDerWaalsContact O-N 3.09Å
64	A	84.3	Confident	85.3	Confident	52 Å²	52	98.4 Å²	98.4	43%	0.43	52%	0.52	S	S	.	.	H	α-helix	trans	-67.6	-41.6	176	0	0	0	0	0	111.7	L60 E61 E62 L67 D68	L60-A64 PolarHBondContact O-N 3.46Å; L60-A64 VanDerWaalsContact O-N 3.12Å; E61-A64 WeakPolarHBondContact O-CB 3.44Å; E61-A64 PolarHBondContact O-N 3.38Å; E61-A64 VanDerWaalsContact O-N 3.14Å; E62-A64 VanDerWaalsContact C-N 3.31Å; E62-A64 PolarHBondContact O-N 3.28Å; A64-L67 PolarHBondContact O-N 3.06Å; A64-D68 PolarHBondContact O-N 3.47Å
65	I	88.2	Confident	85.3	Confident	96 Å²	96	99.3 Å²	99.3	49%	0.492	53%	0.525	S	S	.	.	H	α-helix	trans	-63.4	-44.2	175.5	-63.3	168.4	0	0	0	110.6	E61 E62 L67 D68 D69	E61-I65 WeakPolarHBondContact O-CG1 3.44Å; E61-I65 PolarHBondContact O-N 3.23Å; E61-I65 VanDerWaalsContact O-N 3.13Å; E62-I65 PolarHBondContact O-N 3.44Å; I65-L67 VanDerWaalsContact C-N 3.31Å; I65-L67 PolarHBondContact O-N 2.93Å; I65-D68 PolarHBondContact O-N 3.4Å; I65-D69 PolarHBondContact O-N 2.96Å; I65-D69 VanDerWaalsContact O-N 3.1Å
66	M	83.6	Confident	85.7	Confident	125 Å²	125	99 Å²	99	62%	0.616	52%	0.523	S	S	*	.	H	α-helix	trans	-63.3	-35.9	178.6	-170.5	-170.7	-57.9	0	0	112.9	E62 L70	E62-M66 PolarHBondContact O-N 3.34Å; M66-L70 WeakPolarHBondContact O-CB 3.2Å; M66-L70 PolarHBondContact O-N 3.42Å
67	L	83.7	Confident	85.7	Confident	113 Å²	113	98.2 Å²	98.2	59%	0.592	52%	0.523	S	S	*	.	H	α-helix	trans	-68.5	-34.7	177.1	-75.9	168.8	0	0	0	112.1	H63 A64 I65 L70 Q71	H63-L67 VanDerWaalsContact O-CG 3.29Å; H63-L67 WeakPolarHBondContact O-CG 3.06Å; H63-L67 PolarHBondContact O-N 3.23Å; H63-L67 VanDerWaalsContact O-N 3.09Å; A64-L67 PolarHBondContact O-N 3.06Å; I65-L67 VanDerWaalsContact C-N 3.31Å; I65-L67 PolarHBondContact O-N 2.93Å; L67-L70 PolarHBondContact O-N 2.9Å; L67-Q71 WeakPolarHBondContact O-CB 3.3Å; L67-Q71 PolarHBondContact O-N 3.43Å
68	D	90.4	Very high	85.6	Confident	107 Å²	107	100.4 Å²	100.4	57%	0.572	52%	0.524	S	S	*	.	H	α-helix	trans	-67.7	-43.9	174.9	-159.1	44.2	0	0	0	111.2	A64 I65 L70 Q71 Q72	A64-D68 PolarHBondContact O-N 3.47Å; I65-D68 PolarHBondContact O-N 3.4Å; D68-L70 VanDerWaalsContact C-N 3.32Å; D68-L70 PolarHBondContact O-N 3.33Å; D68-Q71 WeakPolarHBondContact O-CB 3.44Å; D68-Q71 PolarHBondContact O-N 3.33Å; D68-Q71 VanDerWaalsContact O-N 3.16Å; D68-Q72 PolarHBondContact O-N 3.09Å
69	D	88.6	Confident	85.5	Confident	100 Å²	100	100.2 Å²	100.2	54%	0.535	53%	0.526	S	S	.	.	H	α-helix	trans	-60.3	-40.1	173.9	-80.2	-9.3	0	0	0	112.2	I65 Q72 G73	I65-D69 PolarHBondContact O-N 2.96Å; I65-D69 VanDerWaalsContact O-N 3.1Å; D69-Q72 PolarHBondContact O-N 2.91Å; D69-G73 PolarHBondContact O-N 3.27Å
70	L	81.8	Confident	85.8	Confident	105 Å²	105	102.5 Å²	102.5	55%	0.55	53%	0.534	S	S	.	.	H	α-helix	trans	-66.2	-40.6	176.1	-177.8	66	0	0	0	111.5	M66 L67 D68 Q72 G73 L74	M66-L70 WeakPolarHBondContact O-CB 3.2Å; M66-L70 PolarHBondContact O-N 3.42Å; L67-L70 PolarHBondContact O-N 2.9Å; D68-L70 VanDerWaalsContact C-N 3.32Å; D68-L70 PolarHBondContact O-N 3.33Å; L70-Q72 VanDerWaalsContact C-N 3.35Å; L70-G73 PolarHBondContact O-N 3.05Å; L70-L74 HydrophobicContact CG-CD1 4.35Å; L70-L74 WeakPolarHBondContact O-CB 3.23Å; L70-L74 PolarHBondContact O-N 2.99Å
71	Q	86.9	Confident	85.6	Confident	114 Å²	114	103.2 Å²	103.2	53%	0.533	54%	0.536	S	S	.	.	H	α-helix	trans	-62.9	-43.8	176.5	-176.4	168.4	-37	0	0	110.7	L67 D68 G73 L74 E75	L67-Q71 WeakPolarHBondContact O-CB 3.3Å; L67-Q71 PolarHBondContact O-N 3.43Å; D68-Q71 WeakPolarHBondContact O-CB 3.44Å; D68-Q71 PolarHBondContact O-N 3.33Å; D68-Q71 VanDerWaalsContact O-N 3.16Å; Q71-G73 PolarHBondContact O-N 3.01Å; Q71-L74 PolarHBondContact O-N 3.48Å; Q71-E75 WeakPolarHBondContact O-CG 3.39Å; Q71-E75 PolarHBondContact O-N 3.2Å
72	Q	89.3	Confident	85.5	Confident	118 Å²	118	101 Å²	101	55%	0.551	53%	0.529	S	S	*	.	H	α-helix	trans	-62.5	-41.4	175	-166.5	171.7	19.4	0	0	112.1	D68 D69 L70 L74 E75 D76	D68-Q72 PolarHBondContact O-N 3.09Å; D69-Q72 PolarHBondContact O-N 2.91Å; L70-Q72 VanDerWaalsContact C-N 3.35Å; Q72-L74 VanDerWaalsContact C-N 3.33Å; Q72-L74 PolarHBondContact O-N 3.29Å; Q72-E75 PolarHBondContact O-N 3.45Å; Q72-D76 PolarHBondContact O-N 2.89Å
73	G	84.4	Confident	85.6	Confident	34 Å²	34	99 Å²	99	35%	0.351	52%	0.524	S	S	.	.	H	α-helix	trans	-64.5	-33.8	175.2	0	0	0	0	0	113.8	D69 L70 Q71 T77	D69-G73 PolarHBondContact O-N 3.27Å; L70-G73 PolarHBondContact O-N 3.05Å; Q71-G73 PolarHBondContact O-N 3.01Å; G73-T77 WeakPolarHBondContact O-CB 3.3Å; G73-T77 PolarHBondContact O-N 3.24Å; G73-T77 PolarHBondContact O-OG1 3.29Å
74	L	84.3	Confident	85.8	Confident	109 Å²	109	98.2 Å²	98.2	57%	0.571	53%	0.527	S	S	*	.	H	α-helix	trans	-69.5	-41.8	174.6	-83.7	166.4	0	0	0	111.8	L70 Q71 Q72 T77 H78	L70-L74 HydrophobicContact CG-CD1 4.35Å; L70-L74 WeakPolarHBondContact O-CB 3.23Å; L70-L74 PolarHBondContact O-N 2.99Å; Q71-L74 PolarHBondContact O-N 3.48Å; Q72-L74 VanDerWaalsContact C-N 3.33Å; Q72-L74 PolarHBondContact O-N 3.29Å; L74-T77 PolarHBondContact O-N 3.39Å; L74-H78 WeakPolarHBondContact O-CB 3.48Å; L74-H78 PolarHBondContact O-N 3.12Å
75	E	90.6	Very high	85.5	Confident	121 Å²	121	100.4 Å²	100.4	57%	0.565	53%	0.529	S	S	*	.	H	α-helix	trans	-62.7	-44.4	176.3	-72.3	-178.8	-177.5	0	0	111.6	Q71 Q72 T77 H78 A79	Q71-E75 WeakPolarHBondContact O-CG 3.39Å; Q71-E75 PolarHBondContact O-N 3.2Å; Q72-E75 PolarHBondContact O-N 3.45Å; E75-T77 VanDerWaalsContact C-N 3.33Å; E75-T77 PolarHBondContact O-N 2.9Å; E75-H78 WeakPolarHBondContact O-CB 3.46Å; E75-H78 PolarHBondContact O-N 3.27Å; E75-A79 PolarHBondContact O-N 2.93Å
76	D	90.1	Very high	85.1	Confident	97 Å²	97	103.3 Å²	103.3	52%	0.519	54%	0.538	S	S	.	.	H	α-helix	trans	-61.6	-40.3	174.6	-86.2	-6.1	0	0	0	112.6	Q72 A79 K80	Q72-D76 PolarHBondContact O-N 2.89Å; D76-A79 PolarHBondContact O-N 3.48Å; D76-K80 WeakPolarHBondContact O-CG 3.18Å; D76-K80 PolarHBondContact O-N 3.11Å
77	T	83.4	Confident	85	Confident	82 Å²	82	104.3 Å²	104.3	50%	0.503	54%	0.539	S	S	.	.	H	α-helix	trans	-67.6	-40.2	177.6	-60	0	0	0	0	110.9	G73 L74 E75 K80 M81	G73-T77 WeakPolarHBondContact O-CB 3.3Å; G73-T77 PolarHBondContact O-N 3.24Å; G73-T77 PolarHBondContact O-OG1 3.29Å; L74-T77 PolarHBondContact O-N 3.39Å; E75-T77 VanDerWaalsContact C-N 3.33Å; E75-T77 PolarHBondContact O-N 2.9Å; T77-K80 PolarHBondContact O-N 3.07Å; T77-M81 WeakPolarHBondContact O-CB 3.44Å; T77-M81 PolarHBondContact O-N 3.42Å
78	H	84.3	Confident	84.6	Confident	125 Å²	125	102 Å²	102	58%	0.579	53%	0.529	S	S	*	.	H	α-helix	trans	-61.4	-45.1	175.5	-152.3	106.1	0	0	0	111.1	L74 E75 K80 M81 D82	L74-H78 WeakPolarHBondContact O-CB 3.48Å; L74-H78 PolarHBondContact O-N 3.12Å; E75-H78 WeakPolarHBondContact O-CB 3.46Å; E75-H78 PolarHBondContact O-N 3.27Å; H78-K80 VanDerWaalsContact C-N 3.34Å; H78-K80 PolarHBondContact O-N 3.02Å; H78-M81 PolarHBondContact O-N 2.97Å; H78-M81 VanDerWaalsContact O-N 3.15Å; H78-D82 IonicContact CD2-OD2 3.95Å; H78-D82 PolarHBondContact O-N 3.41Å
79	A	86.1	Confident	83.7	Confident	54 Å²	54	101.3 Å²	101.3	45%	0.446	53%	0.526	S	S	.	.	H	α-helix	trans	-62.4	-38.8	177	0	0	0	0	0	112.9	E75 D76 T83	E75-A79 PolarHBondContact O-N 2.93Å; D76-A79 PolarHBondContact O-N 3.48Å; A79-T83 PolarHBondContact O-N 2.95Å; A79-T83 PolarHBondContact O-OG1 3.34Å
80	K	85.2	Confident	83	Confident	145 Å²	145	104 Å²	104	63%	0.63	53%	0.533	S	S	*	.	H	α-helix	trans	-65.4	-42.9	172.9	-74.1	174.3	-173.5	167.5	0	111.4	D76 T77 H78 T83 V84	D76-K80 WeakPolarHBondContact O-CG 3.18Å; D76-K80 PolarHBondContact O-N 3.11Å; T77-K80 PolarHBondContact O-N 3.07Å; H78-K80 VanDerWaalsContact C-N 3.34Å; H78-K80 PolarHBondContact O-N 3.02Å; K80-T83 WeakPolarHBondContact O-CB 3.27Å; K80-T83 PolarHBondContact O-N 2.86Å; K80-V84 WeakPolarHBondContact O-CG2 3.4Å; K80-V84 PolarHBondContact O-N 3.37Å
81	M	80.2	Confident	82.4	Confident	124 Å²	124	103.8 Å²	103.8	61%	0.611	54%	0.536	S	S	*	.	H	α-helix	trans	-64.9	-39.9	-179.8	-159	165.7	-179.5	0	0	111.7	T77 H78 T83 V84 M85	T77-M81 WeakPolarHBondContact O-CB 3.44Å; T77-M81 PolarHBondContact O-N 3.42Å; H78-M81 PolarHBondContact O-N 2.97Å; H78-M81 VanDerWaalsContact O-N 3.15Å; M81-T83 VanDerWaalsContact C-N 3.31Å; M81-T83 PolarHBondContact O-N 3.16Å; M81-V84 PolarHBondContact O-N 3.42Å; M81-M85 WeakPolarHBondContact O-CB 3.49Å; M81-M85 WeakPolarHBondContact O-CG 3.44Å; M81-M85 PolarHBondContact O-N 3.05Å
82	D	87	Confident	81.2	Confident	82 Å²	82	103.2 Å²	103.2	44%	0.439	54%	0.536	S	S	.	.	H	α-helix	trans	-61	-39	172.5	-88.7	-15.9	0	0	0	112.7	H78 M85 K86	H78-D82 IonicContact CD2-OD2 3.95Å; H78-D82 PolarHBondContact O-N 3.41Å; D82-M85 PolarHBondContact O-N 3.44Å; D82-K86 WeakPolarHBondContact O-CG 3.45Å; D82-K86 PolarHBondContact O-N 3.4Å
83	T	86	Confident	80	Confident	75 Å²	75	104 Å²	104	46%	0.46	54%	0.544	S	S	.	.	H	α-helix	trans	-66.3	-40.2	176	-57.7	0	0	0	0	111.2	A79 K80 M81 K87	A79-T83 PolarHBondContact O-N 2.95Å; A79-T83 PolarHBondContact O-OG1 3.34Å; K80-T83 WeakPolarHBondContact O-CB 3.27Å; K80-T83 PolarHBondContact O-N 2.86Å; M81-T83 VanDerWaalsContact C-N 3.31Å; M81-T83 PolarHBondContact O-N 3.16Å; T83-K87 WeakPolarHBondContact O-CG 3.5Å; T83-K87 PolarHBondContact O-N 3.49Å
84	V	83.7	Confident	78.7	Confident	85 Å²	85	109.3 Å²	109.3	52%	0.515	56%	0.563	S	S	.	*	H	α-helix	trans	-65.2	-44.8	174.6	174	0	0	0	0	110.6	K80 M81 K86 K87 V88	K80-V84 WeakPolarHBondContact O-CG2 3.4Å; K80-V84 PolarHBondContact O-N 3.37Å; M81-V84 PolarHBondContact O-N 3.42Å; V84-K86 VanDerWaalsContact C-N 3.35Å; V84-K86 PolarHBondContact O-N 2.91Å; V84-K87 WeakPolarHBondContact O-CB 3.42Å; V84-K87 PolarHBondContact O-N 3.43Å; V84-V88 HydrophobicContact CG1-CG2 4.36Å; V84-V88 WeakPolarHBondContact O-CG2 3.34Å; V84-V88 PolarHBondContact O-N 3.05Å
85	M	77.6	Confident	77.4	Confident	98 Å²	98	108.4 Å²	108.4	48%	0.483	57%	0.566	S	S	.	*	H	α-helix	trans	-62.1	-39.3	178.7	-75	-63.5	-75.3	0	0	112.5	M81 D82 K87 V88 N89	M81-M85 WeakPolarHBondContact O-CB 3.49Å; M81-M85 WeakPolarHBondContact O-CG 3.44Å; M81-M85 PolarHBondContact O-N 3.05Å; D82-M85 PolarHBondContact O-N 3.44Å; M85-K87 VanDerWaalsContact C-N 3.31Å; M85-K87 PolarHBondContact O-N 3.49Å; M85-V88 PolarHBondContact O-N 3.46Å; M85-N89 PolarHBondContact O-N 3Å
86	K	80.5	Confident	75.5	Confident	157 Å²	157	108 Å²	108	68%	0.683	57%	0.572	S	S	*	*	H	α-helix	trans	-61.9	-37.6	172.9	-74.6	173.7	-175.1	171.3	0	112.4	D82 V84 K90	D82-K86 WeakPolarHBondContact O-CG 3.45Å; D82-K86 PolarHBondContact O-N 3.4Å; V84-K86 VanDerWaalsContact C-N 3.35Å; V84-K86 PolarHBondContact O-N 2.91Å; K86-K90 PolarHBondContact O-N 3.38Å
87	K	80.6	Confident	73.6	Confident	146 Å²	146	105.5 Å²	105.5	64%	0.635	57%	0.569	S	S	*	*	H	α-helix	trans	-68.6	-42.8	175.2	-70.5	178.4	-178.4	179.8	0	111.7	T83 V84 M85 K90 V91	T83-K87 WeakPolarHBondContact O-CG 3.5Å; T83-K87 PolarHBondContact O-N 3.49Å; V84-K87 WeakPolarHBondContact O-CB 3.42Å; V84-K87 PolarHBondContact O-N 3.43Å; M85-K87 VanDerWaalsContact C-N 3.31Å; M85-K87 PolarHBondContact O-N 3.49Å; K87-K90 PolarHBondContact O-N 3.43Å; K87-V91 WeakPolarHBondContact O-CG2 3.33Å; K87-V91 PolarHBondContact O-N 3.07Å; K87-V91 VanDerWaalsContact O-N 3.11Å
88	V	76.3	Confident	72.2	Confident	64 Å²	64	107.9 Å²	107.9	39%	0.388	58%	0.578	S	S	.	*	H	α-helix	trans	-61.6	-44.9	177.9	172.4	0	0	0	0	111.3	V84 M85 K90 V91 L92	V84-V88 HydrophobicContact CG1-CG2 4.36Å; V84-V88 WeakPolarHBondContact O-CG2 3.34Å; V84-V88 PolarHBondContact O-N 3.05Å; M85-V88 PolarHBondContact O-N 3.46Å; V88-K90 VanDerWaalsContact C-N 3.29Å; V88-K90 PolarHBondContact O-N 2.99Å; V88-V91 PolarHBondContact O-N 2.99Å; V88-V91 VanDerWaalsContact O-N 3.13Å; V88-L92 HydrophobicContact CG1-CD1 3.82Å; V88-L92 HydrophobicContact CG1-CG 4.42Å; V88-L92 PolarHBondContact O-N 3.25Å
89	N	71.6	Confident	70.7	Confident	93 Å²	93	109.6 Å²	109.6	50%	0.497	59%	0.591	S	S	.	*	H	α-helix	trans	-61.8	-35.8	176.4	-83.6	-14.1	0	0	0	112.9	M85 N93	M85-N89 PolarHBondContact O-N 3Å; N89-N93 PolarHBondContact O-N 3.22Å
90	K	73.2	Confident	69.3	Low	156 Å²	156	113.4 Å²	113.4	68%	0.678	60%	0.603	S	S	*	*	H	α-helix	trans	-66.6	-37.7	175.3	-168.8	175.7	-178.3	178.4	0	112.1	K86 K87 V88 L94	K86-K90 PolarHBondContact O-N 3.38Å; K87-K90 PolarHBondContact O-N 3.43Å; V88-K90 VanDerWaalsContact C-N 3.29Å; V88-K90 PolarHBondContact O-N 2.99Å; K90-L94 WeakPolarHBondContact O-CG 3.29Å
91	V	68.3	Low	68	Low	101 Å²	101	109.4 Å²	109.4	61%	0.612	59%	0.591	S	S	*	*	H	α-helix	trans	-71.3	-40.1	178.1	174.5	0	0	0	0	111.2	K87 V88 N93 L94	K87-V91 WeakPolarHBondContact O-CG2 3.33Å; K87-V91 PolarHBondContact O-N 3.07Å; K87-V91 VanDerWaalsContact O-N 3.11Å; V88-V91 PolarHBondContact O-N 2.99Å; V88-V91 VanDerWaalsContact O-N 3.13Å; V91-N93 PolarHBondContact O-N 3.42Å; V91-L94 PolarHBondContact O-N 3.19Å
92	L	63.3	Low	66.9	Low	102 Å²	102	111.2 Å²	111.2	53%	0.534	60%	0.598	S	S	.	*	H	α-helix	trans	-62.7	-39.7	178.4	-78.5	165	0	0	0	112.8	V88 L94 S95	V88-L92 HydrophobicContact CG1-CD1 3.82Å; V88-L92 HydrophobicContact CG1-CG 4.42Å; V88-L92 PolarHBondContact O-N 3.25Å; L92-L94 PolarHBondContact O-N 3.28Å; L92-S95 PolarHBondContact O-N 3.37Å
93	N	63	Low	65.7	Low	135 Å²	135	111.7 Å²	111.7	72%	0.722	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-12.8	179.4	-75.5	-10.1	0	0	0	114.1	N89 V91	N89-N93 PolarHBondContact O-N 3.22Å; V91-N93 PolarHBondContact O-N 3.42Å
94	L	57.2	Low	64.8	Low	144 Å²	144	111.1 Å²	111.1	75%	0.754	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-13.6	179.4	-73	166.6	0	0	0	113.4	K90 V91 L92	K90-L94 WeakPolarHBondContact O-CG 3.29Å; V91-L94 PolarHBondContact O-N 3.19Å; L92-L94 PolarHBondContact O-N 3.28Å
95	S	58.2	Low	64	Low	91 Å²	91	113.3 Å²	113.3	64%	0.636	61%	0.605	S	S	*	*			trans	-102.7	13.9	-167.5	97.4	0	0	0	0	115.8	L92 G97	L92-S95 PolarHBondContact O-N 3.37Å; S95-G97 VanDerWaalsContact C-N 3.31Å; S95-G97 PolarHBondContact O-N 3.44Å
96	T	50.4	Low	63.6	Low	113 Å²	113	117.5 Å²	117.5	69%	0.693	62%	0.616	S	S	*	*			trans	-80.5	70.8	-176	-32.5	0	0	0	0	112.3
97	G	48.7	Very low	63.4	Low	43 Å²	43	116.4 Å²	116.4	44%	0.443	62%	0.615	S	S	.	*			trans	-110.6	104.2	171.4	0	0	0	0	0	111.5	S95 L99 L100	S95-G97 VanDerWaalsContact C-N 3.31Å; S95-G97 PolarHBondContact O-N 3.44Å; G97-L99 VanDerWaalsContact C-N 3.27Å; G97-L99 PolarHBondContact O-N 3.32Å; G97-L100 PolarHBondContact O-N 3.36Å
98	N	54.8	Low	63.3	Low	132 Å²	132	116 Å²	116	71%	0.706	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	4	-162.6	-75.8	-23.9	0	0	0	118
99	L	53.8	Low	63.3	Low	162 Å²	162	117.5 Å²	117.5	85%	0.848	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-18.9	177.9	-154.7	72.2	0	0	0	113.6	G97 V101	G97-L99 VanDerWaalsContact C-N 3.27Å; G97-L99 PolarHBondContact O-N 3.32Å; L99-V101 VanDerWaalsContact C-N 3.31Å
100	L	54.8	Low	63.8	Low	134 Å²	134	118.6 Å²	118.6	70%	0.702	62%	0.624	S	S	*	*	H	α-helix	trans	-79.8	-13.7	175.7	-74.8	166.1	0	0	0	112.9	G97 T103 S104	G97-L100 PolarHBondContact O-N 3.36Å; L100-T103 PolarHBondContact O-OG1 2.9Å; L100-S104 WeakPolarHBondContact O-CB 3.35Å; L100-S104 PolarHBondContact O-N 2.8Å
101	V	58.5	Low	64.4	Low	61 Å²	61	115.3 Å²	115.3	37%	0.37	62%	0.617	S	S	.	*	H	α-helix	trans	-77.1	-38.6	-169.5	-179.7	0	0	0	0	112.5	L99 K105	L99-V101 VanDerWaalsContact C-N 3.31Å; V101-K105 HydrophobicContact CG1-CD 4.23Å; V101-K105 WeakPolarHBondContact O-CB 3.43Å; V101-K105 VanDerWaalsContact O-CG 3.23Å; V101-K105 WeakPolarHBondContact O-CG 3.21Å; V101-K105 PolarHBondContact O-N 3.49Å
102	E	58.5	Low	65.2	Low	161 Å²	161	114.6 Å²	114.6	75%	0.752	61%	0.609	S	S	*	*	H	α-helix	trans	-75.2	-41.4	-178	-78.6	-161.3	146.4	0	0	113.4	S104 K105 R106	E102-S104 VanDerWaalsContact C-N 3.35Å; E102-K105 PolarHBondContact O-N 3.42Å; E102-R106 PolarHBondContact O-N 3.3Å
103	T	61.2	Low	66.3	Low	93 Å²	93	116.5 Å²	116.5	57%	0.571	61%	0.614	S	S	*	*	H	α-helix	trans	-67.6	-38.1	175.9	52.7	0	0	0	0	111.1	L100 M107	L100-T103 PolarHBondContact O-OG1 2.9Å; T103-M107 WeakPolarHBondContact O-CG 3.41Å; T103-M107 PolarHBondContact O-N 3.36Å
104	S	66.9	Low	67.4	Low	62 Å²	62	115.2 Å²	115.2	43%	0.434	61%	0.606	S	S	.	*	H	α-helix	trans	-62.9	-43.2	173.5	-175.2	0	0	0	0	112.2	L100 E102 R106 M107 F108	L100-S104 WeakPolarHBondContact O-CB 3.35Å; L100-S104 PolarHBondContact O-N 2.8Å; E102-S104 VanDerWaalsContact C-N 3.35Å; S104-R106 PolarHBondContact O-N 3.4Å; S104-M107 PolarHBondContact O-N 2.82Å; S104-F108 WeakPolarHBondContact O-CB 3.5Å; S104-F108 PolarHBondContact O-N 3.49Å
105	K	67	Low	68.8	Low	132 Å²	132	115.3 Å²	115.3	57%	0.574	60%	0.601	S	S	*	*	H	α-helix	trans	-59.2	-45.6	178.1	-80.7	172.8	-179.5	178.5	0	112.8	V101 E102 F108 T109	V101-K105 HydrophobicContact CG1-CD 4.23Å; V101-K105 WeakPolarHBondContact O-CB 3.43Å; V101-K105 VanDerWaalsContact O-CG 3.23Å; V101-K105 WeakPolarHBondContact O-CG 3.21Å; V101-K105 PolarHBondContact O-N 3.49Å; E102-K105 PolarHBondContact O-N 3.42Å; K105-F108 WeakPolarHBondContact O-CB 3.34Å; K105-F108 PolarHBondContact O-N 3.5Å; K105-T109 PolarHBondContact O-N 3.44Å; K105-T109 PolarHBondContact O-OG1 3.32Å
106	R	69.8	Low	70.2	Confident	185 Å²	185	115.9 Å²	115.9	70%	0.698	60%	0.595	S	S	*	*	H	α-helix	trans	-67.2	-38.3	-179.3	-166.4	172	-178.3	176.2	0.5	112.2	E102 S104 F108 H110	E102-R106 PolarHBondContact O-N 3.3Å; S104-R106 PolarHBondContact O-N 3.4Å; R106-F108 VanDerWaalsContact C-N 3.35Å; R106-H110 PolarHBondContact O-CD2 3.23Å; R106-H110 VanDerWaalsContact O-CD2 3.27Å; R106-H110 PolarHBondContact O-N 3.04Å
107	M	74.9	Confident	71.9	Confident	134 Å²	134	116.2 Å²	116.2	66%	0.66	59%	0.588	S	S	*	*	H	α-helix	trans	-61.4	-43.9	171	-72.8	-73.4	-74	0	0	111	T103 S104 T109 H110 V111	T103-M107 WeakPolarHBondContact O-CG 3.41Å; T103-M107 PolarHBondContact O-N 3.36Å; S104-M107 PolarHBondContact O-N 2.82Å; M107-T109 PolarHBondContact O-N 3.05Å; M107-H110 PolarHBondContact O-N 3.4Å; M107-V111 VanDerWaalsContact O-CG2 3.27Å; M107-V111 WeakPolarHBondContact O-CG2 3.21Å; M107-V111 PolarHBondContact O-N 3.13Å; M107-V111 VanDerWaalsContact O-N 3.07Å
108	F	78.1	Confident	73.7	Confident	137 Å²	137	122.5 Å²	122.5	60%	0.601	60%	0.598	S	S	*	*	H	α-helix	trans	-61.5	-44.2	179.4	-123.8	-94.1	0	0	0	112.6	S104 K105 R106 H110 V111 I112	S104-F108 WeakPolarHBondContact O-CB 3.5Å; S104-F108 PolarHBondContact O-N 3.49Å; K105-F108 WeakPolarHBondContact O-CB 3.34Å; K105-F108 PolarHBondContact O-N 3.5Å; R106-F108 VanDerWaalsContact C-N 3.35Å; F108-H110 PolarHBondContact O-N 3.09Å; F108-V111 PolarHBondContact O-N 3.45Å; F108-I112 HydrophobicContact CD1-CD1 3.88Å; F108-I112 HydrophobicContact CD1-CG1 4.37Å; F108-I112 VanDerWaalsContact O-CG1 3.29Å; F108-I112 WeakPolarHBondContact O-CG1 3.26Å; F108-I112 PolarHBondContact O-N 3.48Å
109	T	77.7	Confident	75.2	Confident	96 Å²	96	121.8 Å²	121.8	59%	0.589	59%	0.589	S	S	*	*	H	α-helix	trans	-63.1	-41.8	-179.7	-45.3	0	0	0	0	112.3	K105 M107 I112 F113	K105-T109 PolarHBondContact O-N 3.44Å; K105-T109 PolarHBondContact O-OG1 3.32Å; M107-T109 PolarHBondContact O-N 3.05Å; T109-I112 PolarHBondContact O-N 3.45Å; T109-F113 PolarHBondContact O-N 2.95Å
110	H	81.7	Confident	76.8	Confident	116 Å²	116	117.3 Å²	117.3	54%	0.537	57%	0.571	S	S	.	*	H	α-helix	trans	-66.6	-40.5	176.6	-78.9	-61.3	0	0	0	112.3	R106 M107 F108 F113 L114	R106-H110 PolarHBondContact O-CD2 3.23Å; R106-H110 VanDerWaalsContact O-CD2 3.27Å; R106-H110 PolarHBondContact O-N 3.04Å; M107-H110 PolarHBondContact O-N 3.4Å; F108-H110 PolarHBondContact O-N 3.09Å; H110-F113 PolarHBondContact O-N 3.02Å; H110-L114 WeakPolarHBondContact O-CG 3.37Å; H110-L114 PolarHBondContact O-N 3.21Å
111	V	85.1	Confident	78.4	Confident	87 Å²	87	115 Å²	115	53%	0.527	56%	0.559	S	S	.	*	H	α-helix	trans	-62.8	-43.8	175.9	171.8	0	0	0	0	110.8	M107 F108 F113 L114 F115	M107-V111 VanDerWaalsContact O-CG2 3.27Å; M107-V111 WeakPolarHBondContact O-CG2 3.21Å; M107-V111 PolarHBondContact O-N 3.13Å; M107-V111 VanDerWaalsContact O-N 3.07Å; F108-V111 PolarHBondContact O-N 3.45Å; V111-F113 PolarHBondContact O-N 2.7Å; V111-L114 PolarHBondContact O-N 3.01Å; V111-F115 WeakPolarHBondContact O-CB 3.42Å; V111-F115 PolarHBondContact O-N 3.45Å
112	I	86.2	Confident	79.9	Confident	86 Å²	86	115.6 Å²	115.6	44%	0.441	56%	0.563	S	S	.	*	H	α-helix	trans	-61.3	-45.6	176.9	-70	166.3	0	0	0	111.2	F108 T109 L114 F115 I116	F108-I112 HydrophobicContact CD1-CD1 3.88Å; F108-I112 HydrophobicContact CD1-CG1 4.37Å; F108-I112 VanDerWaalsContact O-CG1 3.29Å; F108-I112 WeakPolarHBondContact O-CG1 3.26Å; F108-I112 PolarHBondContact O-N 3.48Å; T109-I112 PolarHBondContact O-N 3.45Å; I112-L114 PolarHBondContact O-N 3.43Å; I112-F115 WeakPolarHBondContact O-CB 3.48Å; I112-F115 PolarHBondContact O-N 3.4Å; I112-F115 VanDerWaalsContact O-N 3.16Å; I112-I116 HydrophobicContact CG2-CD1 3.7Å; I112-I116 HydrophobicContact CG2-CG1 4.3Å; I112-I116 WeakPolarHBondContact O-CG1 3.36Å; I112-I116 PolarHBondContact O-N 3.06Å
113	F	86.2	Confident	81.4	Confident	143 Å²	143	113.9 Å²	113.9	63%	0.627	55%	0.553	S	S	*	*	H	α-helix	trans	-63.2	-44	-179.9	-174.2	-94.3	0	0	0	112.2	T109 H110 V111 F115 I116 F117	T109-F113 PolarHBondContact O-N 2.95Å; H110-F113 PolarHBondContact O-N 3.02Å; V111-F113 PolarHBondContact O-N 2.7Å; F113-F115 VanDerWaalsContact C-N 3.27Å; F113-F115 PolarHBondContact O-N 3.15Å; F113-I116 PolarHBondContact O-N 2.66Å; F113-F117 WeakPolarHBondContact O-CB 3.15Å; F113-F117 PolarHBondContact O-N 2.67Å
114	L	85.7	Confident	82.9	Confident	108 Å²	108	113.4 Å²	113.4	57%	0.565	55%	0.55	S	S	*	.	H	α-helix	trans	-62	-38.1	174.2	-72.9	171.3	0	0	0	111.5	H110 V111 I112 R118	H110-L114 WeakPolarHBondContact O-CG 3.37Å; H110-L114 PolarHBondContact O-N 3.21Å; V111-L114 PolarHBondContact O-N 3.01Å; I112-L114 PolarHBondContact O-N 3.43Å; L114-R118 VanDerWaalsContact O-CB 3.26Å; L114-R118 WeakPolarHBondContact O-CB 3.28Å; L114-R118 WeakPolarHBondContact O-CG 3.38Å; L114-R118 PolarHBondContact O-N 2.82Å
115	F	86.5	Confident	84	Confident	145 Å²	145	116.6 Å²	116.6	64%	0.636	56%	0.559	S	S	*	*	H	α-helix	trans	-65	-47	177	-157.2	-93.9	0	0	0	111.4	V111 I112 F113 R118 F119	V111-F115 WeakPolarHBondContact O-CB 3.42Å; V111-F115 PolarHBondContact O-N 3.45Å; I112-F115 WeakPolarHBondContact O-CB 3.48Å; I112-F115 PolarHBondContact O-N 3.4Å; I112-F115 VanDerWaalsContact O-N 3.16Å; F113-F115 VanDerWaalsContact C-N 3.27Å; F113-F115 PolarHBondContact O-N 3.15Å; F115-R118 PolarHBondContact O-N 3.25Å; F115-F119 WeakPolarHBondContact O-CB 3.43Å; F115-F119 PolarHBondContact O-N 3.11Å
116	I	87.4	Confident	85.3	Confident	103 Å²	103	114.3 Å²	114.3	53%	0.528	55%	0.552	S	S	.	*	H	α-helix	trans	-62.6	-44.6	176.7	-66.4	167.8	0	0	0	110.9	I112 F113 F119 S120	I112-I116 HydrophobicContact CG2-CD1 3.7Å; I112-I116 HydrophobicContact CG2-CG1 4.3Å; I112-I116 WeakPolarHBondContact O-CG1 3.36Å; I112-I116 PolarHBondContact O-N 3.06Å; F113-I116 PolarHBondContact O-N 2.66Å; I116-F119 PolarHBondContact O-N 3.36Å; I116-S120 WeakPolarHBondContact O-CB 3.5Å; I116-S120 PolarHBondContact O-N 2.67Å
117	F	86.5	Confident	86.3	Confident	121 Å²	121	107.3 Å²	107.3	53%	0.531	54%	0.538	S	S	.	.	H	α-helix	trans	-63.1	-45.6	178.4	-178	-98.8	0	0	0	111.7	F113 F119 S120 L121	F113-F117 WeakPolarHBondContact O-CB 3.15Å; F113-F117 PolarHBondContact O-N 2.67Å; F117-F119 VanDerWaalsContact C-N 3.34Å; F117-F119 PolarHBondContact O-N 2.84Å; F117-S120 PolarHBondContact O-N 3.31Å; F117-L121 WeakPolarHBondContact O-CB 3.43Å; F117-L121 PolarHBondContact O-N 2.9Å
118	R	86.4	Confident	87.2	Confident	174 Å²	174	106.4 Å²	106.4	66%	0.657	53%	0.533	S	S	*	.	H	α-helix	trans	-61.2	-43.7	174.6	-75	-77.4	-175.4	172.6	0.3	111.2	L114 F115 L121 V122	L114-R118 VanDerWaalsContact O-CB 3.26Å; L114-R118 WeakPolarHBondContact O-CB 3.28Å; L114-R118 WeakPolarHBondContact O-CG 3.38Å; L114-R118 PolarHBondContact O-N 2.82Å; F115-R118 PolarHBondContact O-N 3.25Å; R118-L121 PolarHBondContact O-N 3.2Å; R118-V122 WeakPolarHBondContact O-CB 3.44Å; R118-V122 VanDerWaalsContact O-CG2 3.24Å; R118-V122 WeakPolarHBondContact O-CG2 3.43Å; R118-V122 PolarHBondContact O-N 3.4Å
119	F	86.4	Confident	88	Confident	118 Å²	118	106.6 Å²	106.6	52%	0.518	53%	0.534	S	S	.	.	H	α-helix	trans	-63.7	-44.7	178.6	-162	-98.7	0	0	0	111.3	F115 I116 F117 L121 V122 F123	F115-F119 WeakPolarHBondContact O-CB 3.43Å; F115-F119 PolarHBondContact O-N 3.11Å; I116-F119 PolarHBondContact O-N 3.36Å; F117-F119 VanDerWaalsContact C-N 3.34Å; F117-F119 PolarHBondContact O-N 2.84Å; F119-L121 PolarHBondContact O-N 3.45Å; F119-V122 PolarHBondContact O-N 3.36Å; F119-F123 AromaticContact CD1-CD2 3.66Å; F119-F123 HydrophobicContact CD1-CD2 3.66Å; F119-F123 AromaticContact CD1-CE2 3.69Å; F119-F123 HydrophobicContact CD1-CE2 3.69Å; F119-F123 AromaticContact CE1-CD2 3.54Å; F119-F123 HydrophobicContact CE1-CD2 3.54Å; F119-F123 AromaticContact CE1-CE2 3.05Å; F119-F123 HydrophobicContact CE1-CE2 3.05Å; F119-F123 AromaticContact CE1-CZ 3.84Å; F119-F123 HydrophobicContact CE1-CZ 3.84Å; F119-F123 HydrophobicContact CE2-CE2 4.04Å; F119-F123 HydrophobicContact CG-CD2 4.31Å; F119-F123 HydrophobicContact CG-CE2 4.42Å; F119-F123 HydrophobicContact CZ-CD2 4.08Å; F119-F123 AromaticContact CZ-CE2 3.27Å; F119-F123 HydrophobicContact CZ-CE2 3.27Å; F119-F123 HydrophobicContact CZ-CZ 4.05Å; F119-F123 WeakPolarHBondContact O-CD2 3.35Å; F119-F123 PolarHBondContact O-N 3.15Å
120	S	87.1	Confident	88.7	Confident	67 Å²	67	107.2 Å²	107.2	47%	0.469	53%	0.533	S	S	.	.	H	α-helix	trans	-61.2	-42.5	174.7	-173	0	0	0	0	112	I116 F117 F123 V124	I116-S120 WeakPolarHBondContact O-CB 3.5Å; I116-S120 PolarHBondContact O-N 2.67Å; F117-S120 PolarHBondContact O-N 3.31Å; S120-F123 PolarHBondContact O-N 3.33Å; S120-V124 WeakPolarHBondContact O-CG2 3.45Å; S120-V124 PolarHBondContact O-N 3.07Å
121	L	89.5	Confident	89.2	Confident	86 Å²	86	106.7 Å²	106.7	45%	0.45	53%	0.534	S	S	.	.	H	α-helix	trans	-63.5	-43	177.2	-164.2	90.9	0	0	0	111.1	F117 R118 F119 V124 M125	F117-L121 WeakPolarHBondContact O-CB 3.43Å; F117-L121 PolarHBondContact O-N 2.9Å; R118-L121 PolarHBondContact O-N 3.2Å; F119-L121 PolarHBondContact O-N 3.45Å; L121-V124 PolarHBondContact O-N 3.19Å; L121-M125 VanDerWaalsContact O-CG 3.23Å; L121-M125 WeakPolarHBondContact O-CG 3.35Å; L121-M125 PolarHBondContact O-N 2.95Å
122	V	90.2	Very high	89.6	Confident	74 Å²	74	107.1 Å²	107.1	45%	0.448	53%	0.532	S	S	.	.	H	α-helix	trans	-62.3	-43.6	175.6	169.6	0	0	0	0	110.6	R118 F119 V124 M125 I126	R118-V122 WeakPolarHBondContact O-CB 3.44Å; R118-V122 VanDerWaalsContact O-CG2 3.24Å; R118-V122 WeakPolarHBondContact O-CG2 3.43Å; R118-V122 PolarHBondContact O-N 3.4Å; F119-V122 PolarHBondContact O-N 3.36Å; V122-V124 PolarHBondContact O-N 3.25Å; V122-M125 PolarHBondContact O-N 2.87Å; V122-I126 HydrophobicContact CG1-CD1 3.68Å; V122-I126 HydrophobicContact CG1-CG1 4.34Å; V122-I126 VanDerWaalsContact O-CG1 3.23Å; V122-I126 WeakPolarHBondContact O-CG1 3.48Å; V122-I126 PolarHBondContact O-N 3.01Å
123	F	89.1	Confident	89.7	Confident	124 Å²	124	105.2 Å²	105.2	54%	0.544	53%	0.527	S	S	.	.	H	α-helix	trans	-61.7	-42.4	176	-98.3	-99.4	0	0	0	112.9	F119 S120 I126 G127	F119-F123 AromaticContact CD1-CD2 3.66Å; F119-F123 HydrophobicContact CD1-CD2 3.66Å; F119-F123 AromaticContact CD1-CE2 3.69Å; F119-F123 HydrophobicContact CD1-CE2 3.69Å; F119-F123 AromaticContact CE1-CD2 3.54Å; F119-F123 HydrophobicContact CE1-CD2 3.54Å; F119-F123 AromaticContact CE1-CE2 3.05Å; F119-F123 HydrophobicContact CE1-CE2 3.05Å; F119-F123 AromaticContact CE1-CZ 3.84Å; F119-F123 HydrophobicContact CE1-CZ 3.84Å; F119-F123 HydrophobicContact CE2-CE2 4.04Å; F119-F123 HydrophobicContact CG-CD2 4.31Å; F119-F123 HydrophobicContact CG-CE2 4.42Å; F119-F123 HydrophobicContact CZ-CD2 4.08Å; F119-F123 AromaticContact CZ-CE2 3.27Å; F119-F123 HydrophobicContact CZ-CE2 3.27Å; F119-F123 HydrophobicContact CZ-CZ 4.05Å; F119-F123 WeakPolarHBondContact O-CD2 3.35Å; F119-F123 PolarHBondContact O-N 3.15Å; S120-F123 PolarHBondContact O-N 3.33Å; F123-I126 PolarHBondContact O-N 2.79Å; F123-G127 PolarHBondContact O-N 2.92Å
124	V	92	Very high	89.9	Confident	84 Å²	84	103.2 Å²	103.2	51%	0.509	52%	0.522	S	S	.	.	H	α-helix	trans	-63.6	-43.4	175.2	171.7	0	0	0	0	110.8	S120 L121 V122 I126 G127 M128	S120-V124 WeakPolarHBondContact O-CG2 3.45Å; S120-V124 PolarHBondContact O-N 3.07Å; L121-V124 PolarHBondContact O-N 3.19Å; V122-V124 PolarHBondContact O-N 3.25Å; V124-I126 PolarHBondContact O-N 2.87Å; V124-G127 PolarHBondContact O-N 2.93Å; V124-M128 HydrophobicContact CG1-SD 4.31Å; V124-M128 WeakPolarHBondContact O-CG 3.28Å; V124-M128 PolarHBondContact O-N 2.93Å
125	M	91.6	Very high	89.9	Confident	128 Å²	128	102.6 Å²	102.6	63%	0.631	52%	0.519	S	S	*	.	H	α-helix	trans	-62.7	-41.9	176.6	-68.9	-123.1	-61.4	0	0	112.3	L121 V122 M128 F129	L121-M125 VanDerWaalsContact O-CG 3.23Å; L121-M125 WeakPolarHBondContact O-CG 3.35Å; L121-M125 PolarHBondContact O-N 2.95Å; V122-M125 PolarHBondContact O-N 2.87Å; M125-M128 PolarHBondContact O-N 3.33Å; M125-F129 WeakPolarHBondContact O-CB 3.49Å; M125-F129 PolarHBondContact O-N 3.28Å
126	I	92.4	Very high	89.8	Confident	84 Å²	84	99.8 Å²	99.8	43%	0.431	51%	0.513	S	S	.	.	H	α-helix	trans	-62.5	-46.5	174.8	-68.4	165.2	0	0	0	109.9	V122 F123 V124 M128 F129 L130	V122-I126 HydrophobicContact CG1-CD1 3.68Å; V122-I126 HydrophobicContact CG1-CG1 4.34Å; V122-I126 VanDerWaalsContact O-CG1 3.23Å; V122-I126 WeakPolarHBondContact O-CG1 3.48Å; V122-I126 PolarHBondContact O-N 3.01Å; F123-I126 PolarHBondContact O-N 2.79Å; V124-I126 PolarHBondContact O-N 2.87Å; I126-M128 PolarHBondContact O-N 3.46Å; I126-F129 PolarHBondContact O-N 3.39Å; I126-L130 HydrophobicContact CG2-CD1 3.96Å; I126-L130 HydrophobicContact CG2-CG 4.34Å; I126-L130 VanDerWaalsContact O-CG 3.29Å; I126-L130 WeakPolarHBondContact O-CG 3.34Å; I126-L130 PolarHBondContact O-N 2.9Å
127	G	92.5	Very high	89.5	Confident	38 Å²	38	99.6 Å²	99.6	39%	0.392	52%	0.516	S	S	.	.	H	α-helix	trans	-60.2	-43.8	178	0	0	0	0	0	113	F123 V124 L130 L131	F123-G127 PolarHBondContact O-N 2.92Å; V124-G127 PolarHBondContact O-N 2.93Å; G127-L130 PolarHBondContact O-N 3.32Å; G127-L131 WeakPolarHBondContact O-CB 3.24Å; G127-L131 PolarHBondContact O-N 3.24Å
128	M	93.5	Very high	89.1	Confident	115 Å²	115	98.2 Å²	98.2	57%	0.567	51%	0.514	S	S	*	.	H	α-helix	trans	-64	-42.6	174.8	-74.3	-176.6	65.4	0	0	112.1	V124 M125 I126 L131 I132	V124-M128 HydrophobicContact CG1-SD 4.31Å; V124-M128 WeakPolarHBondContact O-CG 3.28Å; V124-M128 PolarHBondContact O-N 2.93Å; M125-M128 PolarHBondContact O-N 3.33Å; I126-M128 PolarHBondContact O-N 3.46Å; M128-L131 PolarHBondContact O-N 3.33Å; M128-I132 VanDerWaalsContact O-CG1 3.26Å; M128-I132 WeakPolarHBondContact O-CG1 3.26Å; M128-I132 PolarHBondContact O-N 3.33Å
129	F	93.5	Very high	88.5	Confident	141 Å²	141	94 Å²	94	62%	0.618	51%	0.507	S	S	*	.	H	α-helix	trans	-60.4	-46.7	176.4	-179.1	-97.2	0	0	0	111.2	M125 I126 L131 I132 S133	M125-F129 WeakPolarHBondContact O-CB 3.49Å; M125-F129 PolarHBondContact O-N 3.28Å; I126-F129 PolarHBondContact O-N 3.39Å; F129-L131 PolarHBondContact O-N 2.97Å; F129-I132 PolarHBondContact O-N 3.02Å; F129-S133 WeakPolarHBondContact O-CB 3.23Å; F129-S133 PolarHBondContact O-N 3.47Å; F129-S133 PolarHBondContact O-OG 3.16Å; F129-S133 VanDerWaalsContact O-OG 3.07Å
130	L	93.2	Very high	87.5	Confident	110 Å²	110	95.3 Å²	95.3	58%	0.576	52%	0.515	S	S	*	.	H	α-helix	trans	-61.1	-41.5	176.7	-69.2	173.6	0	0	0	112.3	I126 G127 S133 L134	I126-L130 HydrophobicContact CG2-CD1 3.96Å; I126-L130 HydrophobicContact CG2-CG 4.34Å; I126-L130 VanDerWaalsContact O-CG 3.29Å; I126-L130 WeakPolarHBondContact O-CG 3.34Å; I126-L130 PolarHBondContact O-N 2.9Å; G127-L130 PolarHBondContact O-N 3.32Å; L130-S133 PolarHBondContact O-N 3.11Å; L130-L134 WeakPolarHBondContact O-CB 3.4Å; L130-L134 PolarHBondContact O-N 2.91Å
131	L	92.6	Very high	86.3	Confident	104 Å²	104	97.6 Å²	97.6	55%	0.545	52%	0.522	S	S	.	.	H	α-helix	trans	-64.2	-43.3	176.6	-175	69.2	0	0	0	111.8	G127 M128 F129 L134 L135	G127-L131 WeakPolarHBondContact O-CB 3.24Å; G127-L131 PolarHBondContact O-N 3.24Å; M128-L131 PolarHBondContact O-N 3.33Å; F129-L131 PolarHBondContact O-N 2.97Å; L131-L134 PolarHBondContact O-N 2.83Å; L131-L135 HydrophobicContact CG-CD1 4.33Å; L131-L135 WeakPolarHBondContact O-CG 3.45Å; L131-L135 PolarHBondContact O-N 2.97Å
132	I	92.3	Very high	84.9	Confident	97 Å²	97	97.2 Å²	97.2	50%	0.497	53%	0.526	S	S	.	.	H	α-helix	trans	-64.4	-46	176.8	-68.2	165.5	0	0	0	110.1	M128 F129 L134 L135 V136	M128-I132 VanDerWaalsContact O-CG1 3.26Å; M128-I132 WeakPolarHBondContact O-CG1 3.26Å; M128-I132 PolarHBondContact O-N 3.33Å; F129-I132 PolarHBondContact O-N 3.02Å; I132-L134 VanDerWaalsContact C-N 3.3Å; I132-L134 PolarHBondContact O-N 3.21Å; I132-L135 PolarHBondContact O-N 2.71Å; I132-V136 HydrophobicContact CG2-CG2 4.43Å; I132-V136 VanDerWaalsContact O-CG2 3.31Å; I132-V136 WeakPolarHBondContact O-CG2 3.28Å; I132-V136 PolarHBondContact O-N 3Å
133	S	89.6	Confident	83.3	Confident	46 Å²	46	100.7 Å²	100.7	32%	0.322	54%	0.535	S	S	.	.	H	α-helix	trans	-58.3	-42.6	175.7	-62.7	0	0	0	0	111.7	F129 L130 V136 V137	F129-S133 WeakPolarHBondContact O-CB 3.23Å; F129-S133 PolarHBondContact O-N 3.47Å; F129-S133 PolarHBondContact O-OG 3.16Å; F129-S133 VanDerWaalsContact O-OG 3.07Å; L130-S133 PolarHBondContact O-N 3.11Å; S133-V136 PolarHBondContact O-N 3.39Å; S133-V137 WeakPolarHBondContact O-CG2 3.38Å; S133-V137 PolarHBondContact O-N 2.88Å
134	L	89.2	Confident	82.2	Confident	100 Å²	100	97.7 Å²	97.7	52%	0.524	53%	0.533	S	S	.	.	H	α-helix	trans	-62.8	-45.3	176.6	-176.7	66.3	0	0	0	112	L130 L131 I132 V136 V137 I138	L130-L134 WeakPolarHBondContact O-CB 3.4Å; L130-L134 PolarHBondContact O-N 2.91Å; L131-L134 PolarHBondContact O-N 2.83Å; I132-L134 VanDerWaalsContact C-N 3.3Å; I132-L134 PolarHBondContact O-N 3.21Å; L134-V136 VanDerWaalsContact C-N 3.32Å; L134-V136 PolarHBondContact O-N 3.37Å; L134-V137 PolarHBondContact O-N 3.29Å; L134-I138 HydrophobicContact CD1-CD1 4.46Å; L134-I138 HydrophobicContact CG-CD1 4.11Å; L134-I138 WeakPolarHBondContact O-CG1 3.45Å; L134-I138 PolarHBondContact O-N 3.48Å
135	L	87.4	Confident	81.7	Confident	96 Å²	96	95.8 Å²	95.8	50%	0.503	52%	0.518	S	S	.	.	H	α-helix	trans	-61.5	-40.5	176.6	-74.4	167.1	0	0	0	111.8	L131 I132 I138 V139	L131-L135 HydrophobicContact CG-CD1 4.33Å; L131-L135 WeakPolarHBondContact O-CG 3.45Å; L131-L135 PolarHBondContact O-N 2.97Å; I132-L135 PolarHBondContact O-N 2.71Å; L135-I138 PolarHBondContact O-N 2.88Å; L135-V139 VanDerWaalsContact O-CG2 3.29Å; L135-V139 WeakPolarHBondContact O-CG2 3.4Å; L135-V139 PolarHBondContact O-N 2.79Å
136	V	84.3	Confident	81.5	Confident	85 Å²	85	94.8 Å²	94.8	52%	0.515	52%	0.515	S	S	.	.	H	α-helix	trans	-62.5	-42.5	176.3	171.2	0	0	0	0	111.1	I132 S133 L134 V139 H140	I132-V136 HydrophobicContact CG2-CG2 4.43Å; I132-V136 VanDerWaalsContact O-CG2 3.31Å; I132-V136 WeakPolarHBondContact O-CG2 3.28Å; I132-V136 PolarHBondContact O-N 3Å; S133-V136 PolarHBondContact O-N 3.39Å; L134-V136 VanDerWaalsContact C-N 3.32Å; L134-V136 PolarHBondContact O-N 3.37Å; V136-V139 PolarHBondContact O-N 2.83Å; V136-H140 WeakPolarHBondContact O-CB 3.47Å; V136-H140 PolarHBondContact O-N 3.37Å
137	V	80.8	Confident	81.7	Confident	99 Å²	99	93.6 Å²	93.6	60%	0.6	51%	0.512	S	S	*	.	H	α-helix	trans	-61.9	-46.4	177.2	171.6	0	0	0	0	111.3	S133 L134 V139 H140 D141	S133-V137 WeakPolarHBondContact O-CG2 3.38Å; S133-V137 PolarHBondContact O-N 2.88Å; L134-V137 PolarHBondContact O-N 3.29Å; V137-V139 PolarHBondContact O-N 3.49Å; V137-H140 PolarHBondContact O-N 3.09Å; V137-D141 PolarHBondContact O-N 3.12Å; V137-D141 VanDerWaalsContact O-N 3.13Å
138	I	78.5	Confident	81.8	Confident	93 Å²	93	92.8 Å²	92.8	48%	0.477	50%	0.499	S	S	.	.	H	α-helix	trans	-62.8	-42.8	179.4	-65.3	166.4	0	0	0	111.4	L134 L135 S142	L134-I138 HydrophobicContact CD1-CD1 4.46Å; L134-I138 HydrophobicContact CG-CD1 4.11Å; L134-I138 WeakPolarHBondContact O-CG1 3.45Å; L134-I138 PolarHBondContact O-N 3.48Å; L135-I138 PolarHBondContact O-N 2.88Å; I138-S142 PolarHBondContact O-N 2.85Å; I138-S142 VanDerWaalsContact O-N 3.17Å; I138-S142 PolarHBondContact O-OG 3.44Å
139	V	73	Confident	82	Confident	84 Å²	84	92.6 Å²	92.6	51%	0.509	51%	0.506	S	S	.	.	H	α-helix	trans	-67.8	-36.1	178.9	172.8	0	0	0	0	111.7	L135 V136 V137 S142 K143	L135-V139 VanDerWaalsContact O-CG2 3.29Å; L135-V139 WeakPolarHBondContact O-CG2 3.4Å; L135-V139 PolarHBondContact O-N 2.79Å; V136-V139 PolarHBondContact O-N 2.83Å; V137-V139 PolarHBondContact O-N 3.49Å; V139-S142 PolarHBondContact O-N 3.4Å; V139-K143 PolarHBondContact O-N 2.92Å
140	H	65.8	Low	82.2	Confident	147 Å²	147	88.2 Å²	88.2	68%	0.681	49%	0.489	S	S	*	.	H	α-helix	trans	-65.3	-44.9	177.7	-126.1	80.4	0	0	0	112	V136 V137 S142 K143 A144	V136-H140 WeakPolarHBondContact O-CB 3.47Å; V136-H140 PolarHBondContact O-N 3.37Å; V137-H140 PolarHBondContact O-N 3.09Å; H140-S142 VanDerWaalsContact C-N 3.29Å; H140-S142 PolarHBondContact O-N 3.3Å; H140-K143 PolarHBondContact O-N 3.34Å; H140-A144 PolarHBondContact O-N 3.14Å
141	D	61.7	Low	82.4	Confident	115 Å²	115	83 Å²	83	62%	0.615	46%	0.462	S	S	*	.	H	α-helix	trans	-64.1	-36.8	178.6	-165.4	45.7	0	0	0	111.6	V137 K143 A144	V137-D141 PolarHBondContact O-N 3.12Å; V137-D141 VanDerWaalsContact O-N 3.13Å; D141-K143 VanDerWaalsContact C-N 3.33Å; D141-K143 PolarHBondContact O-N 3.29Å; D141-A144 WeakPolarHBondContact O-CB 3.43Å; D141-A144 PolarHBondContact O-N 3.41Å
142	S	59.3	Low	82.7	Confident	78 Å²	78	78.3 Å²	78.3	55%	0.545	44%	0.437	S	S	.	.	H	α-helix	trans	-62	-37.1	178	-55.6	0	0	0	0	113.2	I138 V139 H140	I138-S142 PolarHBondContact O-N 2.85Å; I138-S142 VanDerWaalsContact O-N 3.17Å; I138-S142 PolarHBondContact O-OG 3.44Å; V139-S142 PolarHBondContact O-N 3.4Å; H140-S142 VanDerWaalsContact C-N 3.29Å; H140-S142 PolarHBondContact O-N 3.3Å
143	K	56.6	Low	83	Confident	147 Å²	147	73.7 Å²	73.7	64%	0.639	41%	0.413	S	S	*	.	H	α-helix	trans	-80	-17.5	178.9	-73.9	-170.1	176.7	-174.9	0	113.9	V139 H140 D141 F145	V139-K143 PolarHBondContact O-N 2.92Å; H140-K143 PolarHBondContact O-N 3.34Å; D141-K143 VanDerWaalsContact C-N 3.33Å; D141-K143 PolarHBondContact O-N 3.29Å; K143-F145 PolarHBondContact O-N 3.44Å; K143-F145 VanDerWaalsContact O-N 3.14Å
144	A	65.7	Low	83.4	Confident	61 Å²	61	71.5 Å²	71.5	50%	0.504	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.1	-173.6	0	0	0	0	0	112.9	H140 D141	H140-A144 PolarHBondContact O-N 3.14Å; D141-A144 WeakPolarHBondContact O-CB 3.43Å; D141-A144 PolarHBondContact O-N 3.41Å
145	F	81.5	Confident	83.9	Confident	43 Å²	43	66.9 Å²	66.9	19%	0.189	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131	41.2	-176.4	-55.3	-68.5	0	0	0	113.3	K143 I217 D221 Y225 I226	K143-F145 PolarHBondContact O-N 3.44Å; K143-F145 VanDerWaalsContact O-N 3.14Å; F145-I217 HydrophobicContact CD1-CD1 4.14Å; F145-I217 HydrophobicContact CE1-CD1 4.48Å; F145-D221 HydrophobicContact CD1-CB 4.42Å; F145-D221 HydrophobicContact CE1-CB 3.65Å; F145-D221 HydrophobicContact CZ-CB 4.27Å; F145-Y225 HydrophobicContact CB-CG 4.34Å; F145-Y225 AromaticContact CD1-CD2 3.77Å; F145-Y225 HydrophobicContact CD1-CD2 3.77Å; F145-Y225 HydrophobicContact CD1-CG 4.27Å; F145-Y225 HydrophobicContact CD2-CD1 4.38Å; F145-Y225 AromaticContact CD2-CD2 3.72Å; F145-Y225 HydrophobicContact CD2-CD2 3.72Å; F145-Y225 HydrophobicContact CD2-CE2 4.07Å; F145-Y225 AromaticContact CD2-CG 3.88Å; F145-Y225 HydrophobicContact CD2-CG 3.88Å; F145-Y225 AromaticContact CE1-CD2 3.73Å; F145-Y225 HydrophobicContact CE1-CD2 3.73Å; F145-Y225 HydrophobicContact CE1-CE2 4.11Å; F145-Y225 AromaticContact CE2-CD2 3.65Å; F145-Y225 HydrophobicContact CE2-CD2 3.65Å; F145-Y225 AromaticContact CE2-CE2 3.57Å; F145-Y225 HydrophobicContact CE2-CE2 3.57Å; F145-Y225 HydrophobicContact CE2-CG 4.25Å; F145-Y225 AromaticContact CG-CD2 3.77Å; F145-Y225 HydrophobicContact CG-CD2 3.77Å; F145-Y225 AromaticContact CG-CG 3.88Å; F145-Y225 HydrophobicContact CG-CG 3.88Å; F145-Y225 AromaticContact CZ-CD2 3.65Å; F145-Y225 HydrophobicContact CZ-CD2 3.65Å; F145-Y225 AromaticContact CZ-CE2 3.59Å; F145-Y225 HydrophobicContact CZ-CE2 3.59Å; F145-I226 HydrophobicContact CB-CD1 4.07Å; F145-I226 WeakPolarHBondContact O-CD1 3.32Å
146	D	88.5	Confident	84.3	Confident	108 Å²	108	62.3 Å²	62.3	58%	0.578	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-65.6	144.8	165.4	-79	-27.6	0	0	0	110.6	D148	D146-D148 PolarHBondContact O-N 2.79Å
147	V	95.2	Very high	84.8	Confident	59 Å²	59	58.4 Å²	58.4	36%	0.358	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-70.3	120.8	177.5	173.4	0	0	0	0	108.9	P149 I226 K229 I230	V147-P149 WeakPolarHBondContact O-CD 3.48Å; V147-I226 HydrophobicContact CG2-CD1 4.44Å; V147-K229 HydrophobicContact CG2-CD 4.28Å; V147-I230 HydrophobicContact CB-CG2 4.5Å; V147-I230 HydrophobicContact CG1-CD1 4.08Å; V147-I230 HydrophobicContact CG1-CG2 3.78Å; V147-I230 HydrophobicContact CG2-CG2 3.86Å
148	D	96.4	Very high	85.4	Confident	21 Å²	21	54.5 Å²	54.5	11%	0.112	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-68.2	117	171.3	-176.6	-4.9	0	0	0	108.6	D146 N150 G151 Y152 T182 R215	D146-D148 PolarHBondContact O-N 2.79Å; D148-N150 PolarHBondContact O-N 2.94Å; D148-N150 VanDerWaalsContact O-N 3.09Å; D148-N150 WeakPolarHBondContact OD1-CB 3.24Å; D148-N150 PolarHBondContact OD1-N 3.09Å; D148-N150 PolarHBondContact OD1-ND2 2.7Å; D148-G151 PolarHBondContact O-N 3.32Å; D148-Y152 HydrophobicContact CB-CE1 4.4Å; D148-Y152 HydrophobicContact CB-CE2 4.2Å; D148-Y152 PolarHBondContact N-OH 3.44Å; D148-T182 PolarHBondContact OD2-OG1 3.01Å; D148-R215 IonicContact OD1-NE 3.7Å; D148-R215 IonicContact OD2-CZ 3.71Å; D148-R215 IonicContact OD2-NE 2.72Å; D148-R215 PolarHBondContact OD2-NE 3.03Å; D148-R215 IonicContact OD2-NH2 3.86Å; D148-R215 PolarHBondContact OD2-NH2 3.21Å
149	P	96.6	Very high	85.9	Confident	110 Å²	110	55.4 Å²	55.4	71%	0.714	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-14.5	179.5	28	-36.8	0	0	0	112.9	V147 G151 P300	V147-P149 WeakPolarHBondContact O-CD 3.48Å; P149-G151 VanDerWaalsContact C-N 3.31Å; P149-P300 WeakPolarHBondContact O-CB 3.33Å
150	N	97.8	Very high	86.6	Confident	50 Å²	50	52.9 Å²	52.9	27%	0.267	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-4.3	174.9	-52	-81.8	0	0	0	113.2	D148 N180 R181 R215 P300	D148-N150 PolarHBondContact O-N 2.94Å; D148-N150 VanDerWaalsContact O-N 3.09Å; D148-N150 WeakPolarHBondContact OD1-CB 3.24Å; D148-N150 PolarHBondContact OD1-N 3.09Å; D148-N150 PolarHBondContact OD1-ND2 2.7Å; N150-N180 WeakPolarHBondContact CB-O 3.42Å; N150-N180 PolarHBondContact OD1-ND2 3.49Å; N150-R181 WeakPolarHBondContact O-CG 3.34Å; N150-R215 PolarHBondContact ND2-NH2 3.17Å; N150-P300 WeakPolarHBondContact O-CG 3.2Å
151	G	98.1	Very high	87.8	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.01	28%	0.282	C	S	.	.			trans	74.3	-175.1	177.7	0	0	0	0	0	114.5	D148 P149 R181 T182 P304	D148-G151 PolarHBondContact O-N 3.32Å; P149-G151 VanDerWaalsContact C-N 3.31Å; G151-R181 CarbonylContact O-C 3.47Å; G151-R181 WeakPolarHBondContact O-CA 3.23Å; G151-T182 PolarHBondContact O-N 3.35Å; G151-P304 CarbonylContact C-O 3.37Å; G151-P304 WeakPolarHBondContact CA-O 3.23Å
152	Y	98.7	Very high	89.3	Confident	5 Å²	5	45.7 Å²	45.7	2%	0.02	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	153.6	-163.2	-60.5	-96.3	0	0	0	113.2	D148 T182 I217 F222 I226 I230 P304 V305 L306	D148-Y152 HydrophobicContact CB-CE1 4.4Å; D148-Y152 HydrophobicContact CB-CE2 4.2Å; D148-Y152 PolarHBondContact N-OH 3.44Å; Y152-T182 CarbonylContact C-O 3.48Å; Y152-T182 WeakPolarHBondContact CA-O 3.23Å; Y152-T182 HydrophobicContact CD1-CG2 3.71Å; Y152-T182 HydrophobicContact CE1-CG2 3.71Å; Y152-I217 HydrophobicContact CD1-CG2 4.13Å; Y152-I217 HydrophobicContact CE1-CG2 4.13Å; Y152-F222 AromaticContact CD1-CD2 3.7Å; Y152-F222 HydrophobicContact CD1-CD2 3.7Å; Y152-F222 AromaticContact CD1-CE2 3.8Å; Y152-F222 HydrophobicContact CD1-CE2 3.8Å; Y152-F222 HydrophobicContact CD2-CD2 4.43Å; Y152-F222 AromaticContact CD2-CE2 3.75Å; Y152-F222 HydrophobicContact CD2-CE2 3.75Å; Y152-F222 AromaticContact CE1-CD2 4Å; Y152-F222 HydrophobicContact CE1-CD2 4Å; Y152-F222 HydrophobicContact CE1-CE2 4.27Å; Y152-F222 HydrophobicContact CE2-CE2 4.24Å; Y152-F222 AromaticContact CG-CD2 3.93Å; Y152-F222 HydrophobicContact CG-CD2 3.93Å; Y152-F222 AromaticContact CG-CE2 3.51Å; Y152-F222 HydrophobicContact CG-CE2 3.51Å; Y152-F222 HydrophobicContact CG-CZ 4.48Å; Y152-I226 HydrophobicContact CD2-CG2 4.42Å; Y152-I226 HydrophobicContact CE1-CG2 4.5Å; Y152-I226 HydrophobicContact CE2-CG2 3.75Å; Y152-I230 HydrophobicContact CD2-CD1 3.69Å; Y152-I230 HydrophobicContact CE2-CD1 3.54Å; Y152-P304 PolarHBondContact N-O 3.13Å; Y152-V305 WeakPolarHBondContact O-CA 3.35Å; Y152-L306 PolarHBondContact O-N 3.3Å
153	I	98.7	Very high	91	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	130.3	171.6	-61.4	178.6	0	0	0	109.4	F175 A176 I179 R181 T182 L183 A184 L306 F308 P312	I153-F175 HydrophobicContact CD1-CD1 3.72Å; I153-F175 HydrophobicContact CD1-CE1 3.88Å; I153-A176 VanDerWaalsContact CD1-CA 3.5Å; I153-A176 HydrophobicContact CD1-CB 3.81Å; I153-I179 HydrophobicContact CD1-CD1 3.61Å; I153-I179 HydrophobicContact CD1-CG1 3.79Å; I153-I179 HydrophobicContact CG1-CD1 4.31Å; I153-R181 HydrophobicContact CD1-CB 3.99Å; I153-R181 HydrophobicContact CG1-CB 3.74Å; I153-R181 HydrophobicContact CG1-CG 4.46Å; I153-T182 PolarHBondContact N-O 2.89Å; I153-L183 HydrophobicContact CB-CD1 4.11Å; I153-L183 HydrophobicContact CG2-CD1 4.03Å; I153-A184 WeakPolarHBondContact O-CB 3.45Å; I153-A184 PolarHBondContact O-N 2.91Å; I153-L306 WeakPolarHBondContact CA-O 3.27Å; I153-F308 HydrophobicContact CG2-CD2 4.01Å; I153-F308 HydrophobicContact CG2-CE2 4.04Å; I153-P312 HydrophobicContact CG2-CG 4.3Å
154	L	98.6	Very high	92.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.8	173.8	-77.3	61.2	0	0	0	108	A184 M219 F222 W231 V305 L306 A307 F308	L154-A184 HydrophobicContact CD1-CB 3.62Å; L154-A184 HydrophobicContact CG-CB 3.82Å; L154-M219 HydrophobicContact CB-CE 4.46Å; L154-M219 HydrophobicContact CB-SD 4.49Å; L154-M219 HydrophobicContact CD2-CE 3.51Å; L154-M219 HydrophobicContact CD2-SD 3.72Å; L154-M219 HydrophobicContact CG-CE 3.95Å; L154-M219 HydrophobicContact CG-SD 3.65Å; L154-F222 HydrophobicContact CD1-CD1 4.17Å; L154-F222 HydrophobicContact CD1-CE1 3.83Å; L154-F222 HydrophobicContact CD1-CZ 4.02Å; L154-F222 HydrophobicContact CD2-CD1 4Å; L154-F222 HydrophobicContact CD2-CE1 3.57Å; L154-F222 HydrophobicContact CD2-CZ 4.41Å; L154-F222 HydrophobicContact CG-CD1 4.44Å; L154-F222 HydrophobicContact CG-CE1 4.24Å; L154-W231 HydrophobicContact CD2-CE3 4.17Å; L154-W231 HydrophobicContact CD2-CH2 3.9Å; L154-W231 HydrophobicContact CD2-CZ3 3.43Å; L154-W231 VanDerWaalsContact CD2-CZ3 3.43Å; L154-V305 HydrophobicContact CD1-CG1 3.65Å; L154-V305 HydrophobicContact CD2-CG1 4.12Å; L154-V305 HydrophobicContact CG-CG1 4.39Å; L154-L306 PolarHBondContact N-O 3.24Å; L154-A307 HydrophobicContact CB-CB 4.16Å; L154-A307 CarbonylContact O-C 3.4Å; L154-A307 WeakPolarHBondContact O-CA 3.27Å; L154-F308 PolarHBondContact O-N 3.46Å
155	Y	98	Very high	94.2	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.008	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	160.5	170.7	72.1	-84.2	0	0	0	111.1	P157 F169 L183 P186 F308 G310 A311	Y155-P157 HydrophobicContact CE2-CB 3.96Å; Y155-F169 WeakPolarHBondContact OH-CA 3.33Å; Y155-L183 HydrophobicContact CD1-CD1 4.24Å; Y155-L183 HydrophobicContact CE1-CD1 4.08Å; Y155-P186 HydrophobicContact CD1-CG 4.46Å; Y155-P186 HydrophobicContact CE1-CG 3.78Å; Y155-P186 HydrophobicContact CE2-CG 4.07Å; Y155-F308 WeakPolarHBondContact CA-O 3.36Å; Y155-G310 WeakPolarHBondContact CB-O 3.4Å; Y155-A311 VanDerWaalsContact CD2-CA 3.41Å; Y155-A311 HydrophobicContact CD2-CB 3.73Å; Y155-A311 HydrophobicContact CE2-CB 3.72Å
156	C	96.2	Very high	95	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.007	18%	0.175	C	C	.	.			trans	-90.7	124	166.6	-173.1	0	0	0	0	111.5	C158 F262 W263	C156-C158 HydrophobicContact CB-CB 3.94Å; C156-C158 WeakPolarHBondContact CB-SG 3.27Å; C156-C158 PolarHBondContact O-N 2.96Å; C156-C158 WeakPolarHBondContact SG-CB 3.18Å; C156-C158 PolarHBondContact SG-N 3.27Å; C156-C158 VanDerWaalsContact SG-N 3.4Å; C156-C158 CovalentContact SG-SG 2.02Å; C156-C158 PolarHBondContact SG-SG 2.87Å; C156-F262 HydrophobicContact CB-CD1 3.64Å; C156-F262 HydrophobicContact CB-CE1 3.77Å; C156-F262 HydrophobicContact CB-CG 4.21Å; C156-F262 HydrophobicContact CB-CZ 4.43Å; C156-F262 WeakPolarHBondContact SG-CD1 3.41Å; C156-F262 WeakPolarHBondContact SG-CG 3.13Å; C156-W263 HydrophobicContact CB-CZ2 4.12Å
157	P	95.6	Very high	95.3	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.013	15%	0.148	C	C	.	.			trans	-76.5	52.9	167	33.2	-32.8	0	0	0	110.7	Y155 Q165 P186 H187 V189 F262	Y155-P157 HydrophobicContact CE2-CB 3.96Å; P157-Q165 HydrophobicContact CB-CB 4.22Å; P157-Q165 HydrophobicContact CB-CG 4.1Å; P157-Q165 WeakPolarHBondContact O-CG 3.41Å; P157-P186 HydrophobicContact CG-CB 3.92Å; P157-P186 HydrophobicContact CG-CG 3.99Å; P157-H187 WeakPolarHBondContact CG-O 3.22Å; P157-V189 HydrophobicContact CG-CG2 4.38Å; P157-F262 HydrophobicContact CG-CE2 4.39Å
158	C	93	Very high	95.3	Very high	18 Å²	18	24 Å²	24	12%	0.122	13%	0.133	C	C	.	.			trans	-85.1	-9.4	-171.7	-81.2	0	0	0	0	113.6	C156 G160 P258 S259	C156-C158 HydrophobicContact CB-CB 3.94Å; C156-C158 WeakPolarHBondContact CB-SG 3.27Å; C156-C158 PolarHBondContact O-N 2.96Å; C156-C158 WeakPolarHBondContact SG-CB 3.18Å; C156-C158 PolarHBondContact SG-N 3.27Å; C156-C158 VanDerWaalsContact SG-N 3.4Å; C156-C158 CovalentContact SG-SG 2.02Å; C156-C158 PolarHBondContact SG-SG 2.87Å; C158-G160 PolarHBondContact O-N 3.25Å; C158-P258 HydrophobicContact CB-CG 3.89Å; C158-S259 WeakPolarHBondContact SG-CA 3.19Å; C158-S259 PolarHBondContact SG-N 3.2Å; C158-S259 PolarHBondContact SG-OG 2.85Å; C158-S259 VanDerWaalsContact SG-OG 3.33Å
159	M	89.2	Confident	95.4	Very high	111 Å²	111	23 Å²	23	55%	0.547	13%	0.128	S	C	.	.	S	Bend	trans	-94.1	97	-175	-66.9	-173.8	179.5	0	0	111.5	N164	M159-N164 VanDerWaalsContact O-CB 3.25Å; M159-N164 WeakPolarHBondContact O-CB 3.4Å
160	G	88.7	Confident	95.5	Very high	31 Å²	31	17.8 Å²	17.8	32%	0.32	9%	0.094	S	C	.	.	S	Bend	trans	85.6	-178.1	173.3	0	0	0	0	0	115.4	C158 Q165	C158-G160 PolarHBondContact O-N 3.25Å; G160-Q165 PolarHBondContact O-NE2 2.94Å
161	R	90.2	Very high	95.4	Very high	93 Å²	93	15.8 Å²	15.8	35%	0.351	9%	0.085	S	C	.	.	S	Bend	trans	-75.9	178	177.7	-62.5	-173.1	-173.4	149.1	13	111.1	G163 N164 Q165 F191 D361 E424	R161-G163 VanDerWaalsContact C-N 3.26Å; R161-G163 PolarHBondContact O-N 3.47Å; R161-N164 PolarHBondContact O-N 2.88Å; R161-Q165 PolarHBondContact O-N 3.49Å; R161-Q165 VanDerWaalsContact O-N 3.08Å; R161-F191 HydrophobicContact CG-CD2 4.42Å; R161-D361 IonicContact NH2-OD1 3.68Å; R161-D361 IonicContact NH2-OD2 2.77Å; R161-D361 PolarHBondContact NH2-OD2 3.36Å; R161-E424 IonicContact CZ-OE2 2.66Å; R161-E424 IonicContact NH1-OE1 3.28Å; R161-E424 IonicContact NH1-OE2 3.61Å; R161-E424 PolarHBondContact NH1-OE2 3.48Å
162	F	93.4	Very high	95.4	Very high	19 Å²	19	15.7 Å²	15.7	8%	0.083	8%	0.084	C	C	.	.	H	α-helix	trans	-42.2	-46.2	-176.6	178.6	-96.3	0	0	0	114.8	N164 Q165 A166 W188 F204 F205 W330 Q454 L457 F477	F162-N164 VanDerWaalsContact C-N 3.35Å; F162-N164 PolarHBondContact O-N 3.39Å; F162-Q165 PolarHBondContact O-N 2.86Å; F162-A166 WeakPolarHBondContact O-CB 3.41Å; F162-A166 PolarHBondContact O-N 2.92Å; F162-W188 HydrophobicContact CD2-CE3 4.12Å; F162-W188 HydrophobicContact CD2-CZ3 4.4Å; F162-W188 HydrophobicContact CE2-CD2 4.32Å; F162-W188 HydrophobicContact CE2-CE3 4.16Å; F162-W188 HydrophobicContact CE2-CH2 4.44Å; F162-W188 HydrophobicContact CE2-CZ3 4.22Å; F162-F204 HydrophobicContact CD2-CD2 4.44Å; F162-F204 HydrophobicContact CD2-CE2 4.37Å; F162-F204 AromaticContact CE2-CD2 3.95Å; F162-F204 HydrophobicContact CE2-CD2 3.95Å; F162-F204 HydrophobicContact CE2-CE2 4.32Å; F162-F205 HydrophobicContact CE2-CE2 4.14Å; F162-F205 HydrophobicContact CE2-CZ 4.44Å; F162-F205 HydrophobicContact CZ-CE2 4.03Å; F162-F205 AromaticContact CZ-CZ 3.87Å; F162-F205 HydrophobicContact CZ-CZ 3.87Å; F162-W330 HydrophobicContact CE1-CH2 4.37Å; F162-W330 HydrophobicContact CZ-CH2 4.02Å; F162-W330 HydrophobicContact CZ-CZ3 4.39Å; F162-Q454 VanDerWaalsContact CD2-NE2 3.32Å; F162-Q454 HydrophobicContact CE2-CG 4.18Å; F162-Q454 HydrophobicContact CZ-CG 4.27Å; F162-L457 HydrophobicContact CD1-CD1 3.62Å; F162-L457 HydrophobicContact CE1-CD1 3.28Å; F162-L457 HydrophobicContact CZ-CD1 4.34Å; F162-F477 HydrophobicContact CE1-CD2 4.01Å; F162-F477 HydrophobicContact CE1-CE2 4.15Å; F162-F477 HydrophobicContact CE1-CG 4.26Å; F162-F477 HydrophobicContact CZ-CD2 4.45Å; F162-F477 HydrophobicContact CZ-CE2 4.15Å; F162-F477 HydrophobicContact CZ-CZ 4.49Å
163	G	94.3	Very high	95.4	Very high	3 Å²	3	15.5 Å²	15.5	3%	0.031	8%	0.083	C	C	.	.	H	α-helix	trans	-55.1	-47.3	177.9	0	0	0	0	0	112.8	R161 A166 E167	R161-G163 VanDerWaalsContact C-N 3.26Å; R161-G163 PolarHBondContact O-N 3.47Å; G163-A166 PolarHBondContact O-N 2.7Å; G163-E167 PolarHBondContact O-N 3.17Å; G163-E167 VanDerWaalsContact O-N 3.12Å
164	N	94.7	Very high	95.3	Very high	25 Å²	25	15.6 Å²	15.6	13%	0.134	8%	0.084	C	C	.	.	H	α-helix	trans	-69	-39.8	177.2	-66.9	12.8	0	0	0	112.1	M159 R161 F162 A166 E167 H168 F315 T473	M159-N164 VanDerWaalsContact O-CB 3.25Å; M159-N164 WeakPolarHBondContact O-CB 3.4Å; R161-N164 PolarHBondContact O-N 2.88Å; F162-N164 VanDerWaalsContact C-N 3.35Å; F162-N164 PolarHBondContact O-N 3.39Å; N164-A166 PolarHBondContact O-N 2.81Å; N164-E167 WeakPolarHBondContact O-CB 3.32Å; N164-E167 PolarHBondContact O-N 2.77Å; N164-H168 WeakPolarHBondContact O-CB 3.33Å; N164-H168 PolarHBondContact O-CD2 3.28Å; N164-H168 PolarHBondContact O-N 3.48Å; N164-F315 HydrophobicContact CB-CD2 4.5Å; N164-F315 HydrophobicContact CB-CE2 3.74Å; N164-F315 HydrophobicContact CB-CZ 4.35Å; N164-T473 PolarHBondContact N-OG1 2.8Å; N164-T473 WeakPolarHBondContact OD1-CB 3.43Å; N164-T473 WeakPolarHBondContact OD1-CG2 3.3Å; N164-T473 PolarHBondContact OD1-OG1 2.97Å
165	Q	96	Very high	95.3	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-60.3	-37.8	176.9	-63	177.1	37.2	0	0	110.9	P157 G160 R161 F162 F169 W188 V189	P157-Q165 HydrophobicContact CB-CB 4.22Å; P157-Q165 HydrophobicContact CB-CG 4.1Å; P157-Q165 WeakPolarHBondContact O-CG 3.41Å; G160-Q165 PolarHBondContact O-NE2 2.94Å; R161-Q165 PolarHBondContact O-N 3.49Å; R161-Q165 VanDerWaalsContact O-N 3.08Å; F162-Q165 PolarHBondContact O-N 2.86Å; Q165-F169 WeakPolarHBondContact O-CB 3.49Å; Q165-F169 PolarHBondContact O-N 3.31Å; Q165-W188 HydrophobicContact CB-CE3 3.86Å; Q165-W188 HydrophobicContact CB-CZ3 3.7Å; Q165-V189 PolarHBondContact NE2-O 3.36Å
166	A	96.5	Very high	95.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-70.5	-37.8	176.7	0	0	0	0	0	113.1	F162 G163 N164 F169 L170 F477	F162-A166 WeakPolarHBondContact O-CB 3.41Å; F162-A166 PolarHBondContact O-N 2.92Å; G163-A166 PolarHBondContact O-N 2.7Å; N164-A166 PolarHBondContact O-N 2.81Å; A166-F169 PolarHBondContact O-N 3.32Å; A166-L170 PolarHBondContact O-N 2.66Å; A166-F477 HydrophobicContact CB-CD2 3.56Å; A166-F477 HydrophobicContact CB-CE2 3.91Å
167	E	95.6	Very high	95.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-54.2	-55.5	169.7	-66	-54.5	111.7	0	0	110.7	G163 N164 F169 L170 G171 F315 V317 T473 R480	G163-E167 PolarHBondContact O-N 3.17Å; G163-E167 VanDerWaalsContact O-N 3.12Å; N164-E167 WeakPolarHBondContact O-CB 3.32Å; N164-E167 PolarHBondContact O-N 2.77Å; E167-F169 VanDerWaalsContact C-N 3.27Å; E167-F169 PolarHBondContact O-N 3.31Å; E167-L170 PolarHBondContact O-N 3.43Å; E167-G171 PolarHBondContact O-N 3.43Å; E167-F315 HydrophobicContact CB-CD2 3.93Å; E167-F315 HydrophobicContact CB-CE2 3.98Å; E167-F315 HydrophobicContact CG-CD2 4.17Å; E167-F315 HydrophobicContact CG-CE2 3.73Å; E167-V317 WeakPolarHBondContact OE2-CG1 3.36Å; E167-V317 PolarHBondContact OE2-N 3.01Å; E167-T473 HydrophobicContact CG-CG2 3.83Å; E167-R480 VanDerWaalsContact CD-NH1 3.33Å; E167-R480 IonicContact OE1-CZ 3.37Å; E167-R480 IonicContact OE1-NH1 2.83Å; E167-R480 PolarHBondContact OE1-NH1 3.08Å; E167-R480 IonicContact OE1-NH2 3.82Å; E167-R480 PolarHBondContact OE1-NH2 3.41Å; E167-R480 IonicContact OE2-NH1 3.48Å; E167-R480 PolarHBondContact OE2-NH1 2.82Å
168	H	96	Very high	95.4	Very high	11 Å²	11	20 Å²	20	5%	0.051	11%	0.105	C	C	.	.	H	α-helix	trans	-61.1	-36.8	-177.8	-82.8	-54.5	0	0	0	112.5	N164 G171 S172 A311 F315	N164-H168 WeakPolarHBondContact O-CB 3.33Å; N164-H168 PolarHBondContact O-CD2 3.28Å; N164-H168 PolarHBondContact O-N 3.48Å; H168-G171 PolarHBondContact O-N 3.23Å; H168-S172 VanDerWaalsContact O-CB 3.31Å; H168-S172 WeakPolarHBondContact O-CB 3.31Å; H168-S172 PolarHBondContact O-N 2.86Å; H168-S172 PolarHBondContact O-OG 3.26Å; H168-A311 HydrophobicContact CB-CB 3.47Å; H168-A311 VanDerWaalsContact CB-CB 3.47Å; H168-F315 VanDerWaalsContact CE1-CB 3.49Å; H168-F315 WeakPolarHBondContact CE1-CB 3.4Å; H168-F315 AromaticContact NE2-CD2 3.73Å
169	F	98.1	Very high	95.6	Very high	1 Å²	1	19.4 Å²	19.4	0%	0.004	10%	0.101	C	C	.	.	H	α-helix	trans	-61.1	-45.8	177.4	174.4	-93.7	0	0	0	112.1	Y155 Q165 A166 E167 G171 S172 L173 L183 L185 W188 F201 L210 L328	Y155-F169 WeakPolarHBondContact OH-CA 3.33Å; Q165-F169 WeakPolarHBondContact O-CB 3.49Å; Q165-F169 PolarHBondContact O-N 3.31Å; A166-F169 PolarHBondContact O-N 3.32Å; E167-F169 VanDerWaalsContact C-N 3.27Å; E167-F169 PolarHBondContact O-N 3.31Å; F169-G171 PolarHBondContact O-N 3.32Å; F169-S172 PolarHBondContact O-N 3.17Å; F169-L173 HydrophobicContact CE1-CD2 4.21Å; F169-L173 HydrophobicContact CZ-CD2 4.45Å; F169-L173 WeakPolarHBondContact O-CB 3.31Å; F169-L173 PolarHBondContact O-N 3.35Å; F169-L183 HydrophobicContact CE2-CD2 4.18Å; F169-L185 HydrophobicContact CE2-CD2 3.7Å; F169-L185 HydrophobicContact CZ-CD2 4Å; F169-W188 HydrophobicContact CB-CH2 4.25Å; F169-W188 HydrophobicContact CG-CH2 4.4Å; F169-F201 AromaticContact CD2-CE2 3.85Å; F169-F201 HydrophobicContact CD2-CE2 3.85Å; F169-F201 HydrophobicContact CE1-CE2 4.3Å; F169-F201 HydrophobicContact CE1-CZ 4.24Å; F169-F201 HydrophobicContact CE2-CD2 4.22Å; F169-F201 AromaticContact CE2-CE2 3.34Å; F169-F201 HydrophobicContact CE2-CE2 3.34Å; F169-F201 AromaticContact CE2-CZ 3.86Å; F169-F201 HydrophobicContact CE2-CZ 3.86Å; F169-F201 HydrophobicContact CG-CE2 4.49Å; F169-F201 AromaticContact CZ-CE2 3.6Å; F169-F201 HydrophobicContact CZ-CE2 3.6Å; F169-F201 AromaticContact CZ-CZ 3.61Å; F169-F201 HydrophobicContact CZ-CZ 3.61Å; F169-L210 HydrophobicContact CE1-CD2 3.97Å; F169-L210 HydrophobicContact CZ-CD1 3.99Å; F169-L210 HydrophobicContact CZ-CD2 3.85Å; F169-L328 HydrophobicContact CD1-CD1 3.92Å; F169-L328 HydrophobicContact CD1-CD2 3.83Å; F169-L328 HydrophobicContact CD1-CG 4.15Å; F169-L328 HydrophobicContact CE1-CD1 4.21Å; F169-L328 HydrophobicContact CE1-CD2 3.39Å; F169-L328 HydrophobicContact CE1-CG 3.91Å; F169-L328 HydrophobicContact CZ-CD2 4.14Å
170	L	97.9	Very high	96	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.6	-44.9	-179.7	-65.5	-173.9	0	0	0	111.5	A166 E167 L173 A174 V317 L324 Q325 L328	A166-L170 PolarHBondContact O-N 2.66Å; E167-L170 PolarHBondContact O-N 3.43Å; L170-L173 PolarHBondContact O-N 3.38Å; L170-A174 PolarHBondContact O-N 3Å; L170-A174 VanDerWaalsContact O-N 3.08Å; L170-V317 HydrophobicContact CB-CG2 3.75Å; L170-L324 HydrophobicContact CD2-CB 3.94Å; L170-L324 WeakPolarHBondContact O-CD1 3.32Å; L170-Q325 HydrophobicContact CD1-CB 4.42Å; L170-L328 HydrophobicContact CD2-CD1 3.66Å; L170-L328 HydrophobicContact CD2-CG 4.13Å; L170-L328 HydrophobicContact CG-CD1 4.43Å
171	G	96.6	Very high	96.4	Very high	7 Å²	7	15.2 Å²	15.2	7%	0.072	7%	0.073	C	C	.	.	H	α-helix	trans	-65.4	-38.4	175.2	0	0	0	0	0	112.7	E167 H168 F169 L173 A174 F175	E167-G171 PolarHBondContact O-N 3.43Å; H168-G171 PolarHBondContact O-N 3.23Å; F169-G171 PolarHBondContact O-N 3.32Å; G171-L173 VanDerWaalsContact C-N 3.33Å; G171-L173 PolarHBondContact O-N 2.92Å; G171-A174 WeakPolarHBondContact O-CB 3.5Å; G171-A174 PolarHBondContact O-N 3.06Å; G171-F175 WeakPolarHBondContact O-CB 3.35Å; G171-F175 PolarHBondContact O-N 2.7Å
172	S	98.1	Very high	96.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-67.8	-34.1	178	-57.4	0	0	0	0	112.2	H168 F169 F175 A176 A311	H168-S172 VanDerWaalsContact O-CB 3.31Å; H168-S172 WeakPolarHBondContact O-CB 3.31Å; H168-S172 PolarHBondContact O-N 2.86Å; H168-S172 PolarHBondContact O-OG 3.26Å; F169-S172 PolarHBondContact O-N 3.17Å; S172-F175 PolarHBondContact O-N 2.88Å; S172-A176 WeakPolarHBondContact O-CB 3.29Å; S172-A176 PolarHBondContact O-N 3.42Å; S172-A311 WeakPolarHBondContact OG-CB 3.42Å
173	L	98.3	Very high	97.1	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-66.7	-42.7	173.5	-177.4	65.9	0	0	0	111.4	F169 L170 G171 K177 L183 L210 Y213 H214 V216	F169-L173 HydrophobicContact CE1-CD2 4.21Å; F169-L173 HydrophobicContact CZ-CD2 4.45Å; F169-L173 WeakPolarHBondContact O-CB 3.31Å; F169-L173 PolarHBondContact O-N 3.35Å; L170-L173 PolarHBondContact O-N 3.38Å; G171-L173 VanDerWaalsContact C-N 3.33Å; G171-L173 PolarHBondContact O-N 2.92Å; L173-K177 PolarHBondContact O-N 3.48Å; L173-L183 HydrophobicContact CB-CD2 4.25Å; L173-L183 HydrophobicContact CD1-CD2 4.01Å; L173-L210 HydrophobicContact CD2-CD2 3.71Å; L173-Y213 HydrophobicContact CD1-CD1 4.17Å; L173-Y213 HydrophobicContact CD2-CD1 3.84Å; L173-Y213 HydrophobicContact CD2-CE1 4.27Å; L173-Y213 HydrophobicContact CG-CD1 3.72Å; L173-Y213 HydrophobicContact CG-CE1 3.85Å; L173-H214 HydrophobicContact CD1-CB 4.37Å; L173-V216 HydrophobicContact CD1-CG1 3.95Å
174	A	97.4	Very high	97.3	Very high	3 Å²	3	10.2 Å²	10.2	3%	0.025	5%	0.053	C	C	.	.	H	α-helix	trans	-61.7	-44.7	172.1	0	0	0	0	0	111.3	L170 G171 A176 K177 A178 I285 H321 L324	L170-A174 PolarHBondContact O-N 3Å; L170-A174 VanDerWaalsContact O-N 3.08Å; G171-A174 WeakPolarHBondContact O-CB 3.5Å; G171-A174 PolarHBondContact O-N 3.06Å; A174-A176 PolarHBondContact O-N 2.88Å; A174-K177 PolarHBondContact O-N 2.96Å; A174-A178 WeakPolarHBondContact O-CB 3.34Å; A174-A178 PolarHBondContact O-N 3.43Å; A174-I285 HydrophobicContact CB-CD1 4.49Å; A174-H321 HydrophobicContact CB-CB 4.4Å; A174-L324 HydrophobicContact CB-CD1 3.86Å
175	F	97.8	Very high	97.5	Very high	1 Å²	1	9 Å²	9	0%	0.004	5%	0.047	C	C	.	.	H	α-helix	trans	-56.4	-50.5	176.7	-174.3	-100.1	0	0	0	112.3	I153 G171 S172 K177 A178 I179 I285 W294 F308 P312	I153-F175 HydrophobicContact CD1-CD1 3.72Å; I153-F175 HydrophobicContact CD1-CE1 3.88Å; G171-F175 WeakPolarHBondContact O-CB 3.35Å; G171-F175 PolarHBondContact O-N 2.7Å; S172-F175 PolarHBondContact O-N 2.88Å; F175-K177 VanDerWaalsContact C-N 3.29Å; F175-K177 PolarHBondContact O-N 3.35Å; F175-A178 PolarHBondContact O-N 3.47Å; F175-A178 VanDerWaalsContact O-N 3.15Å; F175-I179 HydrophobicContact CD1-CD1 4.32Å; F175-I179 HydrophobicContact CE1-CD1 3.59Å; F175-I179 HydrophobicContact CE1-CG1 4.21Å; F175-I179 HydrophobicContact CE2-CG2 4.26Å; F175-I179 HydrophobicContact CZ-CD1 3.89Å; F175-I179 HydrophobicContact CZ-CG2 4.24Å; F175-I179 PolarHBondContact O-N 2.99Å; F175-I285 VanDerWaalsContact CA-CD1 3.49Å; F175-I285 HydrophobicContact CB-CD1 4.31Å; F175-I285 HydrophobicContact CD2-CD1 4.37Å; F175-I285 HydrophobicContact CD2-CG1 4.25Å; F175-I285 HydrophobicContact CD2-CG2 3.56Å; F175-I285 HydrophobicContact CE2-CG2 3.64Å; F175-W294 HydrophobicContact CE2-CD2 4.37Å; F175-W294 AromaticContact CE2-CE2 3.88Å; F175-W294 HydrophobicContact CE2-CZ2 4.18Å; F175-W294 AromaticContact CE2-NE1 3.84Å; F175-W294 AromaticContact CZ-CD2 3.92Å; F175-W294 HydrophobicContact CZ-CD2 3.92Å; F175-W294 AromaticContact CZ-CE2 3.72Å; F175-W294 HydrophobicContact CZ-CE3 4.19Å; F175-W294 HydrophobicContact CZ-CG 4.48Å; F175-W294 HydrophobicContact CZ-CH2 4.16Å; F175-W294 AromaticContact CZ-CZ2 3.86Å; F175-W294 HydrophobicContact CZ-CZ2 3.86Å; F175-W294 HydrophobicContact CZ-CZ3 4.32Å; F175-F308 HydrophobicContact CE1-CE2 4.04Å; F175-F308 AromaticContact CE1-CZ 3.88Å; F175-F308 HydrophobicContact CE1-CZ 3.88Å; F175-F308 HydrophobicContact CZ-CZ 4.19Å; F175-P312 WeakPolarHBondContact CB-O 3.47Å; F175-P312 HydrophobicContact CD1-CB 3.65Å; F175-P312 HydrophobicContact CD1-CG 3.54Å; F175-P312 HydrophobicContact CE1-CB 3.75Å; F175-P312 HydrophobicContact CE1-CG 3.99Å; F175-P312 HydrophobicContact CG-CB 4.07Å; F175-P312 HydrophobicContact CG-CG 4.15Å; F175-P312 WeakPolarHBondContact CG-O 3.47Å; F175-P312 HydrophobicContact CZ-CB 4.28Å
176	A	98.2	Very high	97.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-57.5	-41.2	177.5	0	0	0	0	0	113.2	I153 S172 A174 N180 R181 L183 H214	I153-A176 VanDerWaalsContact CD1-CA 3.5Å; I153-A176 HydrophobicContact CD1-CB 3.81Å; S172-A176 WeakPolarHBondContact O-CB 3.29Å; S172-A176 PolarHBondContact O-N 3.42Å; A174-A176 PolarHBondContact O-N 2.88Å; A176-N180 PolarHBondContact O-N 3.43Å; A176-R181 PolarHBondContact O-N 2.9Å; A176-L183 HydrophobicContact CB-CB 3.75Å; A176-L183 HydrophobicContact CB-CD1 4.34Å; A176-L183 HydrophobicContact CB-CG 4.46Å; A176-H214 VanDerWaalsContact C-NE2 3.31Å; A176-H214 PolarHBondContact O-NE2 3.43Å
177	K	97.5	Very high	97.5	Very high	86 Å²	86	9.7 Å²	9.7	37%	0.374	5%	0.051	S	C	.	.	H	α-helix	trans	-65.7	-46.1	175.8	-174.2	173.2	-176.6	157.1	0	112	L173 A174 F175 I179 N180 Y213 H214	L173-K177 PolarHBondContact O-N 3.48Å; A174-K177 PolarHBondContact O-N 2.96Å; F175-K177 VanDerWaalsContact C-N 3.29Å; F175-K177 PolarHBondContact O-N 3.35Å; K177-I179 VanDerWaalsContact C-N 3.32Å; K177-I179 PolarHBondContact O-N 3.39Å; K177-N180 PolarHBondContact O-N 2.92Å; K177-Y213 HydrophobicContact CB-CE1 3.99Å; K177-Y213 HydrophobicContact CD-CD1 4.15Å; K177-Y213 HydrophobicContact CD-CD2 4.27Å; K177-Y213 HydrophobicContact CD-CE1 3.55Å; K177-Y213 HydrophobicContact CD-CE2 3.7Å; K177-Y213 HydrophobicContact CD-CG 4.49Å; K177-Y213 HydrophobicContact CG-CE1 4.42Å; K177-Y213 PolarHBondContact NZ-O 3.44Å; K177-H214 HydrophobicContact CB-CB 4.1Å; K177-H214 HydrophobicContact CD-CB 4.4Å; K177-H214 HydrophobicContact CG-CB 4.38Å; K177-H214 PolarHBondContact N-NE2 2.88Å
178	A	96.3	Very high	97.5	Very high	11 Å²	11	10 Å²	10	9%	0.091	5%	0.052	C	C	.	.	H	α-helix	trans	-65.4	-35	-175.8	0	0	0	0	0	112.6	A174 F175 N180 I285 Q291 R295	A174-A178 WeakPolarHBondContact O-CB 3.34Å; A174-A178 PolarHBondContact O-N 3.43Å; F175-A178 PolarHBondContact O-N 3.47Å; F175-A178 VanDerWaalsContact O-N 3.15Å; A178-N180 VanDerWaalsContact C-N 3.34Å; A178-I285 HydrophobicContact CB-CB 4.08Å; A178-I285 HydrophobicContact CB-CD1 3.2Å; A178-I285 HydrophobicContact CB-CG1 4.24Å; A178-Q291 HydrophobicContact CB-CG 3.85Å; A178-Q291 PolarHBondContact O-OE1 3.13Å; A178-R295 PolarHBondContact O-NE 3.28Å; A178-R295 PolarHBondContact O-NH2 3.32Å
179	I	96.9	Very high	97.4	Very high	5 Å²	5	9.8 Å²	9.8	3%	0.026	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	7	174	72.6	163.8	0	0	0	113.2	I153 F175 K177 R181 W294 L306	I153-I179 HydrophobicContact CD1-CD1 3.61Å; I153-I179 HydrophobicContact CD1-CG1 3.79Å; I153-I179 HydrophobicContact CG1-CD1 4.31Å; F175-I179 HydrophobicContact CD1-CD1 4.32Å; F175-I179 HydrophobicContact CE1-CD1 3.59Å; F175-I179 HydrophobicContact CE1-CG1 4.21Å; F175-I179 HydrophobicContact CE2-CG2 4.26Å; F175-I179 HydrophobicContact CZ-CD1 3.89Å; F175-I179 HydrophobicContact CZ-CG2 4.24Å; F175-I179 PolarHBondContact O-N 2.99Å; K177-I179 VanDerWaalsContact C-N 3.32Å; K177-I179 PolarHBondContact O-N 3.39Å; I179-R181 HydrophobicContact CD1-CG 4.06Å; I179-R181 HydrophobicContact CG1-CB 4.34Å; I179-R181 HydrophobicContact CG1-CG 3.98Å; I179-R181 PolarHBondContact O-N 3.23Å; I179-W294 HydrophobicContact CB-CB 4.25Å; I179-W294 HydrophobicContact CG2-CB 3.52Å; I179-W294 HydrophobicContact CG2-CG 3.79Å; I179-L306 HydrophobicContact CD1-CD1 3.86Å
180	N	97	Very high	96.7	Very high	50 Å²	50	11.3 Å²	11.3	27%	0.267	6%	0.059	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	37.4	176.2	-173.4	36.5	0	0	0	114.5	N150 A176 K177 A178 R215	N150-N180 WeakPolarHBondContact CB-O 3.42Å; N150-N180 PolarHBondContact OD1-ND2 3.49Å; A176-N180 PolarHBondContact O-N 3.43Å; K177-N180 PolarHBondContact O-N 2.92Å; A178-N180 VanDerWaalsContact C-N 3.34Å; N180-R215 PolarHBondContact O-NH2 3.03Å; N180-R215 PolarHBondContact OD1-NH1 3.44Å; N180-R215 PolarHBondContact OD1-NH2 2.94Å
181	R	98.2	Very high	95.8	Very high	4 Å²	4	15.7 Å²	15.7	2%	0.015	8%	0.079	C	C	.	.			trans	-113.2	144.1	178.6	-62	-167.4	162.1	-112	5.4	111.3	N150 G151 I153 A176 I179 L183 H214 Y298 F303	N150-R181 WeakPolarHBondContact O-CG 3.34Å; G151-R181 CarbonylContact O-C 3.47Å; G151-R181 WeakPolarHBondContact O-CA 3.23Å; I153-R181 HydrophobicContact CD1-CB 3.99Å; I153-R181 HydrophobicContact CG1-CB 3.74Å; I153-R181 HydrophobicContact CG1-CG 4.46Å; A176-R181 PolarHBondContact O-N 2.9Å; I179-R181 HydrophobicContact CD1-CG 4.06Å; I179-R181 HydrophobicContact CG1-CB 4.34Å; I179-R181 HydrophobicContact CG1-CG 3.98Å; I179-R181 PolarHBondContact O-N 3.23Å; R181-L183 PolarHBondContact O-N 3.22Å; R181-H214 PolarHBondContact O-NE2 3.19Å; R181-Y298 PolarHBondContact NH2-O 2.98Å; R181-F303 VanDerWaalsContact CZ-O 3.25Å; R181-F303 PolarHBondContact NH1-O 3.45Å; R181-F303 PolarHBondContact NH2-O 3.4Å
182	T	98.6	Very high	94.3	Very high	9 Å²	9	21.5 Å²	21.5	6%	0.055	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	128.9	177.2	-75	0	0	0	0	110.7	D148 G151 Y152 I153 R215 I217	D148-T182 PolarHBondContact OD2-OG1 3.01Å; G151-T182 PolarHBondContact O-N 3.35Å; Y152-T182 CarbonylContact C-O 3.48Å; Y152-T182 WeakPolarHBondContact CA-O 3.23Å; Y152-T182 HydrophobicContact CD1-CG2 3.71Å; Y152-T182 HydrophobicContact CE1-CG2 3.71Å; I153-T182 PolarHBondContact N-O 2.89Å; T182-R215 HydrophobicContact CG2-CB 4.4Å; T182-R215 VanDerWaalsContact OG1-CB 3.25Å; T182-R215 WeakPolarHBondContact OG1-CB 3.3Å; T182-I217 HydrophobicContact CG2-CB 4.26Å; T182-I217 HydrophobicContact CG2-CG2 3.83Å
183	L	98.8	Very high	92.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	121.3	177	-177.8	63.1	0	0	0	110.5	I153 Y155 F169 L173 A176 R181 L185 R215 V216 I217	I153-L183 HydrophobicContact CB-CD1 4.11Å; I153-L183 HydrophobicContact CG2-CD1 4.03Å; Y155-L183 HydrophobicContact CD1-CD1 4.24Å; Y155-L183 HydrophobicContact CE1-CD1 4.08Å; F169-L183 HydrophobicContact CE2-CD2 4.18Å; L173-L183 HydrophobicContact CB-CD2 4.25Å; L173-L183 HydrophobicContact CD1-CD2 4.01Å; A176-L183 HydrophobicContact CB-CB 3.75Å; A176-L183 HydrophobicContact CB-CD1 4.34Å; A176-L183 HydrophobicContact CB-CG 4.46Å; R181-L183 PolarHBondContact O-N 3.22Å; L183-L185 HydrophobicContact CD2-CD2 4.31Å; L183-L185 PolarHBondContact O-N 2.67Å; L183-R215 PolarHBondContact N-O 2.8Å; L183-R215 VanDerWaalsContact N-O 3.1Å; L183-V216 HydrophobicContact CB-CG1 4.23Å; L183-V216 CarbonylContact O-C 3.59Å; L183-V216 VanDerWaalsContact O-CA 3.28Å; L183-V216 WeakPolarHBondContact O-CA 3.3Å; L183-I217 PolarHBondContact O-N 3.5Å
184	A	98.5	Very high	90.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	111.6	164.9	0	0	0	0	0	108.9	I153 L154 P186 I217 M219 F222	I153-A184 WeakPolarHBondContact O-CB 3.45Å; I153-A184 PolarHBondContact O-N 2.91Å; L154-A184 HydrophobicContact CD1-CB 3.62Å; L154-A184 HydrophobicContact CG-CB 3.82Å; A184-P186 VanDerWaalsContact O-CD 3.26Å; A184-P186 WeakPolarHBondContact O-CD 3.44Å; A184-P186 VanDerWaalsContact O-N 3.16Å; A184-I217 CarbonylContact C-O 3.51Å; A184-I217 VanDerWaalsContact CA-O 3.3Å; A184-I217 WeakPolarHBondContact CA-O 2.91Å; A184-I217 HydrophobicContact CB-CG2 4.23Å; A184-M219 HydrophobicContact CB-SD 3.94Å; A184-F222 HydrophobicContact CB-CB 4.44Å; A184-F222 HydrophobicContact CB-CG 4.43Å
185	L	98.5	Very high	89.1	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	108.4	-178.1	-59.6	174	0	0	0	109.2	F169 L183 F201 V207 L210 V216 I217 L218 M219	F169-L185 HydrophobicContact CE2-CD2 3.7Å; F169-L185 HydrophobicContact CZ-CD2 4Å; L183-L185 HydrophobicContact CD2-CD2 4.31Å; L183-L185 PolarHBondContact O-N 2.67Å; L185-F201 HydrophobicContact CB-CB 3.84Å; L185-F201 HydrophobicContact CB-CD1 4.19Å; L185-F201 HydrophobicContact CB-CD2 3.98Å; L185-F201 HydrophobicContact CB-CG 3.73Å; L185-F201 HydrophobicContact CD1-CD1 3.72Å; L185-F201 HydrophobicContact CD1-CE1 4Å; L185-F201 HydrophobicContact CD1-CG 4.16Å; L185-F201 HydrophobicContact CD2-CD2 4.43Å; L185-F201 HydrophobicContact CD2-CE1 4.43Å; L185-F201 HydrophobicContact CD2-CE2 4.29Å; L185-F201 HydrophobicContact CD2-CZ 4.3Å; L185-F201 HydrophobicContact CG-CD1 4.38Å; L185-F201 HydrophobicContact CG-CG 4.37Å; L185-V207 HydrophobicContact CD1-CG1 4.05Å; L185-V207 HydrophobicContact CD1-CG2 4.05Å; L185-L210 HydrophobicContact CD1-CD1 4.05Å; L185-L210 HydrophobicContact CD2-CD1 3.85Å; L185-V216 HydrophobicContact CD1-CB 4.07Å; L185-V216 HydrophobicContact CD1-CG2 3.98Å; L185-V216 HydrophobicContact CD2-CB 3.94Å; L185-V216 HydrophobicContact CD2-CG1 4.03Å; L185-V216 HydrophobicContact CG-CB 3.97Å; L185-V216 HydrophobicContact CG-CG2 4.44Å; L185-I217 WeakPolarHBondContact CG-O 3.33Å; L185-I217 PolarHBondContact N-O 3.45Å; L185-L218 HydrophobicContact CB-CD2 4.38Å; L185-L218 HydrophobicContact CD1-CD2 4.07Å; L185-M219 WeakPolarHBondContact O-CB 3.43Å; L185-M219 PolarHBondContact O-N 2.99Å
186	P	97.8	Very high	87.4	Confident	4 Å²	4	44.2 Å²	44.2	3%	0.026	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-71	157	-173.8	32.1	-37	0	0	0	110.8	Y155 P157 A184 F262	Y155-P186 HydrophobicContact CD1-CG 4.46Å; Y155-P186 HydrophobicContact CE1-CG 3.78Å; Y155-P186 HydrophobicContact CE2-CG 4.07Å; P157-P186 HydrophobicContact CG-CB 3.92Å; P157-P186 HydrophobicContact CG-CG 3.99Å; A184-P186 VanDerWaalsContact O-CD 3.26Å; A184-P186 WeakPolarHBondContact O-CD 3.44Å; A184-P186 VanDerWaalsContact O-N 3.16Å; P186-F262 HydrophobicContact CB-CE2 4.34Å; P186-F262 HydrophobicContact CB-CZ 4.03Å
187	H	96.6	Very high	86.2	Confident	11 Å²	11	46.6 Å²	46.6	5%	0.051	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-66.8	142	165.5	-74.8	-159.8	0	0	0	110.1	P157 K198 T199 S220 F262 F266	P157-H187 WeakPolarHBondContact CG-O 3.22Å; H187-K198 HydrophobicContact CB-CB 4.13Å; H187-T199 CarbonylContact C-O 3.52Å; H187-T199 VanDerWaalsContact CA-O 3.23Å; H187-T199 WeakPolarHBondContact CA-O 3.46Å; H187-T199 WeakPolarHBondContact CB-O 3.07Å; H187-S220 PolarHBondContact CE1-OG 2.78Å; H187-S220 PolarHBondContact NE2-OG 2.89Å; H187-F262 HydrophobicContact CB-CE2 4.29Å; H187-F266 HydrophobicContact CB-CZ 4.33Å; H187-F266 AromaticContact CD2-CZ 3.62Å; H187-F266 AromaticContact CE1-CZ 3.81Å; H187-F266 AromaticContact CG-CZ 3.69Å; H187-F266 AromaticContact ND1-CZ 3.82Å; H187-F266 AromaticContact NE2-CE1 3.91Å; H187-F266 AromaticContact NE2-CZ 3.69Å
188	W	95	Very high	85.4	Confident	7 Å²	7	44.4 Å²	44.4	3%	0.027	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	140.2	171.1	-59	100.5	0	0	0	109.8	F162 Q165 F169 K198 T199 F201 F204 F205	F162-W188 HydrophobicContact CD2-CE3 4.12Å; F162-W188 HydrophobicContact CD2-CZ3 4.4Å; F162-W188 HydrophobicContact CE2-CD2 4.32Å; F162-W188 HydrophobicContact CE2-CE3 4.16Å; F162-W188 HydrophobicContact CE2-CH2 4.44Å; F162-W188 HydrophobicContact CE2-CZ3 4.22Å; Q165-W188 HydrophobicContact CB-CE3 3.86Å; Q165-W188 HydrophobicContact CB-CZ3 3.7Å; F169-W188 HydrophobicContact CB-CH2 4.25Å; F169-W188 HydrophobicContact CG-CH2 4.4Å; W188-K198 WeakPolarHBondContact O-CA 3.26Å; W188-T199 PolarHBondContact N-O 2.92Å; W188-T199 PolarHBondContact O-N 3.28Å; W188-F201 AromaticContact CE2-CD2 3.92Å; W188-F201 HydrophobicContact CH2-CE2 4.39Å; W188-F201 AromaticContact CZ2-CD2 3.78Å; W188-F201 HydrophobicContact CZ2-CD2 3.78Å; W188-F201 AromaticContact CZ2-CE2 3.52Å; W188-F201 HydrophobicContact CZ2-CE2 3.52Å; W188-F201 HydrophobicContact CZ2-CZ 4.41Å; W188-F201 AromaticContact NE1-CD2 3.77Å; W188-F204 HydrophobicContact CB-CD2 4.24Å; W188-F204 HydrophobicContact CB-CE2 3.88Å; W188-F204 AromaticContact CD1-CD2 3.26Å; W188-F204 AromaticContact CD1-CE2 3.77Å; W188-F204 HydrophobicContact CD2-CD2 4.09Å; W188-F204 AromaticContact CG-CD2 3.6Å; W188-F204 HydrophobicContact CG-CD2 3.6Å; W188-F204 AromaticContact CG-CE2 3.76Å; W188-F204 HydrophobicContact CG-CE2 3.76Å; W188-F204 AromaticContact NE1-CD2 3.56Å; W188-F205 AromaticContact CE2-CE2 3.99Å; W188-F205 HydrophobicContact CH2-CE2 4.07Å; W188-F205 AromaticContact CZ2-CD2 3.58Å; W188-F205 HydrophobicContact CZ2-CD2 3.58Å; W188-F205 AromaticContact CZ2-CE2 3.42Å; W188-F205 HydrophobicContact CZ2-CE2 3.42Å; W188-F205 VanDerWaalsContact CZ2-CE2 3.42Å
189	V	92.5	Very high	85.1	Confident	7 Å²	7	44.8 Å²	44.8	4%	0.042	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	109.3	172.2	-179.4	0	0	0	0	108.1	P157 Q165 F191 P196 P258 F262	P157-V189 HydrophobicContact CG-CG2 4.38Å; Q165-V189 PolarHBondContact NE2-O 3.36Å; V189-F191 HydrophobicContact CB-CE2 4.45Å; V189-F191 HydrophobicContact CG1-CD2 4.45Å; V189-F191 HydrophobicContact CG1-CE1 4.18Å; V189-F191 HydrophobicContact CG1-CE2 3.79Å; V189-F191 HydrophobicContact CG1-CZ 3.64Å; V189-P196 HydrophobicContact CG1-CB 3.68Å; V189-P258 HydrophobicContact CG1-CB 3.53Å; V189-P258 HydrophobicContact CG1-CG 3.85Å; V189-P258 HydrophobicContact CG2-CB 4.31Å; V189-P258 HydrophobicContact CG2-CG 4.38Å; V189-F262 HydrophobicContact CG2-CD2 4.35Å
190	D	83.5	Confident	85	Confident	32 Å²	32	47 Å²	47	17%	0.171	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	133.2	177.7	-170.3	-4.1	0	0	0	110.9	Q192 P196 S197	D190-Q192 VanDerWaalsContact OD1-CG 3.25Å; D190-Q192 WeakPolarHBondContact OD1-CG 3.31Å; D190-Q192 PolarHBondContact OD1-N 2.85Å; D190-P196 CarbonylContact O-C 3.56Å; D190-P196 WeakPolarHBondContact O-CA 3.39Å; D190-S197 PolarHBondContact N-O 3.48Å; D190-S197 PolarHBondContact O-N 2.05Å
191	F	78.9	Confident	85.1	Confident	92 Å²	92	44.7 Å²	44.7	40%	0.404	22%	0.219	S	C	.	.			trans	-104.7	12.2	-179.1	-63.5	-84.9	0	0	0	113.2	R161 V189 T193 P196 P258	R161-F191 HydrophobicContact CG-CD2 4.42Å; V189-F191 HydrophobicContact CB-CE2 4.45Å; V189-F191 HydrophobicContact CG1-CD2 4.45Å; V189-F191 HydrophobicContact CG1-CE1 4.18Å; V189-F191 HydrophobicContact CG1-CE2 3.79Å; V189-F191 HydrophobicContact CG1-CZ 3.64Å; F191-T193 PolarHBondContact O-N 3.42Å; F191-P196 HydrophobicContact CD1-CB 4.46Å; F191-P196 HydrophobicContact CD1-CG 4.24Å; F191-P196 HydrophobicContact CE1-CB 4.38Å; F191-P196 HydrophobicContact CE1-CG 4.05Å; F191-P258 HydrophobicContact CZ-CG 4.21Å
192	Q	67.1	Low	85	Confident	129 Å²	129	48 Å²	48	60%	0.603	24%	0.237	S	C	*	.	S	Bend	trans	-60.7	-27.3	176.8	-77.2	178.9	10.9	0	0	113.5	D190	D190-Q192 VanDerWaalsContact OD1-CG 3.25Å; D190-Q192 WeakPolarHBondContact OD1-CG 3.31Å; D190-Q192 PolarHBondContact OD1-N 2.85Å
193	T	61.9	Low	84.8	Confident	83 Å²	83	52.3 Å²	52.3	51%	0.509	25%	0.253	S	S	.	.	S	Bend	trans	-108.1	159.5	179.5	47.6	0	0	0	0	112.5	F191 L195	F191-T193 PolarHBondContact O-N 3.42Å; T193-L195 CarbonylContact C-O 3.58Å; T193-L195 WeakPolarHBondContact CB-O 3.32Å; T193-L195 CarbonylContact O-C 3.58Å; T193-L195 PolarHBondContact O-N 2.85Å; T193-L195 VanDerWaalsContact O-N 3.08Å; T193-L195 PolarHBondContact OG1-O 3.33Å
194	R	59.9	Low	84.7	Confident	261 Å²	261	52.9 Å²	52.9	99%	0.985	26%	0.255	S	S	*	.	S	Bend	trans	-54.2	-28.5	177.8	-79.6	-168.1	-78.4	-169.7	-6	113.8
195	L	60.8	Low	84.7	Confident	122 Å²	122	53 Å²	53	64%	0.639	26%	0.256	S	S	*	.	S	Bend	trans	-107	138.2	166.9	-70.8	168.4	0	0	0	107.8	T193 S197	T193-L195 CarbonylContact C-O 3.58Å; T193-L195 WeakPolarHBondContact CB-O 3.32Å; T193-L195 CarbonylContact O-C 3.58Å; T193-L195 PolarHBondContact O-N 2.85Å; T193-L195 VanDerWaalsContact O-N 3.08Å; T193-L195 PolarHBondContact OG1-O 3.33Å; L195-S197 PolarHBondContact O-N 3.06Å; L195-S197 VanDerWaalsContact O-N 3.09Å
196	P	62.6	Low	84.7	Confident	15 Å²	15	55.7 Å²	55.7	10%	0.097	27%	0.27	C	S	.	.			trans	-54.3	121.6	174	-22.8	31.3	0	0	0	109.8	V189 D190 F191 K198 P258	V189-P196 HydrophobicContact CG1-CB 3.68Å; D190-P196 CarbonylContact O-C 3.56Å; D190-P196 WeakPolarHBondContact O-CA 3.39Å; F191-P196 HydrophobicContact CD1-CB 4.46Å; F191-P196 HydrophobicContact CD1-CG 4.24Å; F191-P196 HydrophobicContact CE1-CB 4.38Å; F191-P196 HydrophobicContact CE1-CG 4.05Å; P196-K198 WeakPolarHBondContact O-CD 3.46Å; P196-K198 WeakPolarHBondContact O-CE 3.46Å; P196-K198 PolarHBondContact O-NZ 3.45Å; P196-P258 HydrophobicContact CB-CB 4.06Å; P196-P258 HydrophobicContact CG-CB 3.95Å
197	S	73.2	Confident	84.7	Confident	51 Å²	51	57 Å²	57	36%	0.357	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	147.2	174.4	-174.1	0	0	0	0	109.3	D190 L195	D190-S197 PolarHBondContact N-O 3.48Å; D190-S197 PolarHBondContact O-N 2.05Å; L195-S197 PolarHBondContact O-N 3.06Å; L195-S197 VanDerWaalsContact O-N 3.09Å
198	K	80.1	Confident	84.8	Confident	40 Å²	40	62 Å²	62	17%	0.174	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	111.7	-174.6	-66.5	65.7	163.7	-177.6	0	106.3	H187 W188 P196 S261 E265	H187-K198 HydrophobicContact CB-CB 4.13Å; W188-K198 WeakPolarHBondContact O-CA 3.26Å; P196-K198 WeakPolarHBondContact O-CD 3.46Å; P196-K198 WeakPolarHBondContact O-CE 3.46Å; P196-K198 PolarHBondContact O-NZ 3.45Å; K198-S261 VanDerWaalsContact CE-C 3.5Å; K198-S261 WeakPolarHBondContact CE-O 3.23Å; K198-S261 VanDerWaalsContact CE-OG 3.26Å; K198-S261 WeakPolarHBondContact CE-OG 3.37Å; K198-S261 PolarHBondContact NZ-OG 3.29Å; K198-E265 HydrophobicContact CB-CG 4.32Å; K198-E265 HydrophobicContact CG-CB 4.4Å; K198-E265 HydrophobicContact CG-CG 4.29Å
199	T	91.6	Very high	84.9	Confident	18 Å²	18	62.6 Å²	62.6	11%	0.11	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120.9	-174.2	-65.5	0	0	0	0	108.7	H187 W188 F201 R203 F204	H187-T199 CarbonylContact C-O 3.52Å; H187-T199 VanDerWaalsContact CA-O 3.23Å; H187-T199 WeakPolarHBondContact CA-O 3.46Å; H187-T199 WeakPolarHBondContact CB-O 3.07Å; W188-T199 PolarHBondContact N-O 2.92Å; W188-T199 PolarHBondContact O-N 3.28Å; T199-F201 PolarHBondContact O-N 3.17Å; T199-R203 HydrophobicContact CG2-CB 3.47Å; T199-R203 VanDerWaalsContact CG2-CB 3.47Å; T199-R203 HydrophobicContact CG2-CG 3.47Å; T199-R203 VanDerWaalsContact CG2-CG 3.47Å; T199-F204 HydrophobicContact CG2-CD1 4.36Å; T199-F204 HydrophobicContact CG2-CE1 3.88Å; T199-F204 HydrophobicContact CG2-CE2 4.11Å; T199-F204 HydrophobicContact CG2-CZ 3.74Å
200	P	95	Very high	85.2	Confident	52 Å²	52	62.3 Å²	62.3	34%	0.338	31%	0.308	S	S	.	.			trans	-48.4	142.4	174.5	-29.7	36.2	0	0	0	112.2	D202 R203	P200-D202 WeakPolarHBondContact CB-OD1 3.36Å; P200-D202 PolarHBondContact O-N 2.9Å; P200-R203 WeakPolarHBondContact O-CB 3.32Å; P200-R203 PolarHBondContact O-N 2.7Å; P200-R203 VanDerWaalsContact O-N 3.09Å
201	F	97.3	Very high	85.9	Confident	1 Å²	1	65.1 Å²	65.1	0%	0.004	32%	0.323	C	S	.	.	H	α-helix	trans	-54.5	-43	-175.7	-179.5	-87	0	0	0	112.2	F169 L185 W188 T199 R203 F204 F205 L210 L218 L328	F169-F201 AromaticContact CD2-CE2 3.85Å; F169-F201 HydrophobicContact CD2-CE2 3.85Å; F169-F201 HydrophobicContact CE1-CE2 4.3Å; F169-F201 HydrophobicContact CE1-CZ 4.24Å; F169-F201 HydrophobicContact CE2-CD2 4.22Å; F169-F201 AromaticContact CE2-CE2 3.34Å; F169-F201 HydrophobicContact CE2-CE2 3.34Å; F169-F201 AromaticContact CE2-CZ 3.86Å; F169-F201 HydrophobicContact CE2-CZ 3.86Å; F169-F201 HydrophobicContact CG-CE2 4.49Å; F169-F201 AromaticContact CZ-CE2 3.6Å; F169-F201 HydrophobicContact CZ-CE2 3.6Å; F169-F201 AromaticContact CZ-CZ 3.61Å; F169-F201 HydrophobicContact CZ-CZ 3.61Å; L185-F201 HydrophobicContact CB-CB 3.84Å; L185-F201 HydrophobicContact CB-CD1 4.19Å; L185-F201 HydrophobicContact CB-CD2 3.98Å; L185-F201 HydrophobicContact CB-CG 3.73Å; L185-F201 HydrophobicContact CD1-CD1 3.72Å; L185-F201 HydrophobicContact CD1-CE1 4Å; L185-F201 HydrophobicContact CD1-CG 4.16Å; L185-F201 HydrophobicContact CD2-CD2 4.43Å; L185-F201 HydrophobicContact CD2-CE1 4.43Å; L185-F201 HydrophobicContact CD2-CE2 4.29Å; L185-F201 HydrophobicContact CD2-CZ 4.3Å; L185-F201 HydrophobicContact CG-CD1 4.38Å; L185-F201 HydrophobicContact CG-CG 4.37Å; W188-F201 AromaticContact CE2-CD2 3.92Å; W188-F201 HydrophobicContact CH2-CE2 4.39Å; W188-F201 AromaticContact CZ2-CD2 3.78Å; W188-F201 HydrophobicContact CZ2-CD2 3.78Å; W188-F201 AromaticContact CZ2-CE2 3.52Å; W188-F201 HydrophobicContact CZ2-CE2 3.52Å; W188-F201 HydrophobicContact CZ2-CZ 4.41Å; W188-F201 AromaticContact NE1-CD2 3.77Å; T199-F201 PolarHBondContact O-N 3.17Å; F201-R203 VanDerWaalsContact C-N 3.26Å; F201-R203 PolarHBondContact O-N 3.21Å; F201-F204 PolarHBondContact O-N 2.98Å; F201-F205 HydrophobicContact CD1-CB 4.31Å; F201-F205 HydrophobicContact CE1-CB 3.59Å; F201-F205 HydrophobicContact CE1-CG 4.47Å; F201-F205 HydrophobicContact CE2-CD2 4.39Å; F201-F205 HydrophobicContact CZ-CB 3.89Å; F201-F205 HydrophobicContact CZ-CD2 4.12Å; F201-F205 HydrophobicContact CZ-CG 4.32Å; F201-F205 PolarHBondContact O-N 3.44Å; F201-F205 VanDerWaalsContact O-N 3.16Å; F201-L210 HydrophobicContact CE1-CD1 3.5Å; F201-L210 VanDerWaalsContact CE1-CD1 3.5Å; F201-L210 HydrophobicContact CZ-CD1 3.58Å; F201-L218 HydrophobicContact CB-CD2 3.96Å; F201-L328 HydrophobicContact CZ-CD2 3.9Å
202	D	96.8	Very high	86.8	Confident	73 Å²	73	69 Å²	69	39%	0.39	34%	0.339	S	S	.	.	H	α-helix	trans	-69.3	-16.7	-177.2	59.9	-27.2	0	0	0	114.6	P200 F204 F205 V207 L218	P200-D202 WeakPolarHBondContact CB-OD1 3.36Å; P200-D202 PolarHBondContact O-N 2.9Å; D202-F204 PolarHBondContact O-N 3.42Å; D202-F205 VanDerWaalsContact CA-O 3.24Å; D202-F205 WeakPolarHBondContact CA-O 3.07Å; D202-V207 HydrophobicContact CB-CG2 4.24Å; D202-L218 HydrophobicContact CB-CD1 4.33Å; D202-L218 HydrophobicContact CB-CD2 4.03Å
203	R	95.5	Very high	88.3	Confident	100 Å²	100	64.9 Å²	64.9	38%	0.377	32%	0.318	S	S	.	.	H	α-helix	trans	-57.9	-36	169.1	179.1	61.7	-177	91.4	3.1	111.5	T199 P200 F201 S331	T199-R203 HydrophobicContact CG2-CB 3.47Å; T199-R203 VanDerWaalsContact CG2-CB 3.47Å; T199-R203 HydrophobicContact CG2-CG 3.47Å; T199-R203 VanDerWaalsContact CG2-CG 3.47Å; P200-R203 WeakPolarHBondContact O-CB 3.32Å; P200-R203 PolarHBondContact O-N 2.7Å; P200-R203 VanDerWaalsContact O-N 3.09Å; F201-R203 VanDerWaalsContact C-N 3.26Å; F201-R203 PolarHBondContact O-N 3.21Å; R203-S331 PolarHBondContact O-OG 3.39Å
204	F	96.5	Very high	90	Very high	13 Å²	13	61.7 Å²	61.7	6%	0.057	30%	0.298	C	S	.	.	H	α-helix	trans	-101.6	-36.4	-177.1	-63.1	-19.1	0	0	0	113.4	F162 W188 T199 F201 D202 W330 S331 I334 Q454	F162-F204 HydrophobicContact CD2-CD2 4.44Å; F162-F204 HydrophobicContact CD2-CE2 4.37Å; F162-F204 AromaticContact CE2-CD2 3.95Å; F162-F204 HydrophobicContact CE2-CD2 3.95Å; F162-F204 HydrophobicContact CE2-CE2 4.32Å; W188-F204 HydrophobicContact CB-CD2 4.24Å; W188-F204 HydrophobicContact CB-CE2 3.88Å; W188-F204 AromaticContact CD1-CD2 3.26Å; W188-F204 AromaticContact CD1-CE2 3.77Å; W188-F204 HydrophobicContact CD2-CD2 4.09Å; W188-F204 AromaticContact CG-CD2 3.6Å; W188-F204 HydrophobicContact CG-CD2 3.6Å; W188-F204 AromaticContact CG-CE2 3.76Å; W188-F204 HydrophobicContact CG-CE2 3.76Å; W188-F204 AromaticContact NE1-CD2 3.56Å; T199-F204 HydrophobicContact CG2-CD1 4.36Å; T199-F204 HydrophobicContact CG2-CE1 3.88Å; T199-F204 HydrophobicContact CG2-CE2 4.11Å; T199-F204 HydrophobicContact CG2-CZ 3.74Å; F201-F204 PolarHBondContact O-N 2.98Å; D202-F204 PolarHBondContact O-N 3.42Å; F204-W330 HydrophobicContact CB-CZ3 4.48Å; F204-W330 CarbonylContact O-C 3.48Å; F204-W330 WeakPolarHBondContact O-CA 3.48Å; F204-S331 PolarHBondContact O-N 3.18Å; F204-I334 HydrophobicContact CB-CD1 4.16Å; F204-I334 HydrophobicContact CD1-CD1 3.81Å; F204-I334 HydrophobicContact CG-CD1 4.34Å; F204-Q454 HydrophobicContact CD1-CG 3.9Å; F204-Q454 HydrophobicContact CD2-CG 3.96Å; F204-Q454 HydrophobicContact CE1-CG 3.92Å; F204-Q454 HydrophobicContact CE2-CG 4.02Å; F204-Q454 HydrophobicContact CG-CG 3.92Å; F204-Q454 HydrophobicContact CZ-CG 3.98Å
205	F	98.3	Very high	91.8	Very high	1 Å²	1	53.5 Å²	53.5	0%	0.004	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-133.7	144.5	-170.8	-63.1	-72.6	0	0	0	113	F162 W188 F201 D202 L328 R329 W330 F477	F162-F205 HydrophobicContact CE2-CE2 4.14Å; F162-F205 HydrophobicContact CE2-CZ 4.44Å; F162-F205 HydrophobicContact CZ-CE2 4.03Å; F162-F205 AromaticContact CZ-CZ 3.87Å; F162-F205 HydrophobicContact CZ-CZ 3.87Å; W188-F205 AromaticContact CE2-CE2 3.99Å; W188-F205 HydrophobicContact CH2-CE2 4.07Å; W188-F205 AromaticContact CZ2-CD2 3.58Å; W188-F205 HydrophobicContact CZ2-CD2 3.58Å; W188-F205 AromaticContact CZ2-CE2 3.42Å; W188-F205 HydrophobicContact CZ2-CE2 3.42Å; W188-F205 VanDerWaalsContact CZ2-CE2 3.42Å; F201-F205 HydrophobicContact CD1-CB 4.31Å; F201-F205 HydrophobicContact CE1-CB 3.59Å; F201-F205 HydrophobicContact CE1-CG 4.47Å; F201-F205 HydrophobicContact CE2-CD2 4.39Å; F201-F205 HydrophobicContact CZ-CB 3.89Å; F201-F205 HydrophobicContact CZ-CD2 4.12Å; F201-F205 HydrophobicContact CZ-CG 4.32Å; F201-F205 PolarHBondContact O-N 3.44Å; F201-F205 VanDerWaalsContact O-N 3.16Å; D202-F205 VanDerWaalsContact CA-O 3.24Å; D202-F205 WeakPolarHBondContact CA-O 3.07Å; F205-L328 HydrophobicContact CB-CD2 4.43Å; F205-L328 HydrophobicContact CD1-CB 4.14Å; F205-L328 HydrophobicContact CD1-CD2 4.04Å; F205-L328 HydrophobicContact CD2-CD2 4.07Å; F205-L328 HydrophobicContact CE1-CB 4.06Å; F205-L328 HydrophobicContact CE1-CD2 4.31Å; F205-L328 HydrophobicContact CE2-CD2 4.32Å; F205-L328 HydrophobicContact CG-CD2 3.91Å; F205-L328 HydrophobicContact CZ-CD2 4.42Å; F205-R329 CarbonylContact C-O 3.53Å; F205-R329 VanDerWaalsContact CA-O 3.27Å; F205-R329 WeakPolarHBondContact CA-O 3.47Å; F205-W330 HydrophobicContact CD1-CE3 4.13Å; F205-W330 HydrophobicContact CD1-CZ3 4.48Å; F205-W330 AromaticContact CE1-CD2 3.98Å; F205-W330 HydrophobicContact CE1-CD2 3.98Å; F205-W330 AromaticContact CE1-CE3 3.61Å; F205-W330 HydrophobicContact CE1-CE3 3.61Å; F205-W330 HydrophobicContact CE1-CH2 4.09Å; F205-W330 HydrophobicContact CE1-CZ2 4.42Å; F205-W330 AromaticContact CE1-CZ3 3.65Å; F205-W330 HydrophobicContact CE1-CZ3 3.65Å; F205-W330 HydrophobicContact CE2-CZ3 4.35Å; F205-W330 HydrophobicContact CZ-CE3 4.04Å; F205-W330 AromaticContact CZ-CH2 3.91Å; F205-W330 HydrophobicContact CZ-CH2 3.91Å; F205-W330 AromaticContact CZ-CZ3 3.58Å; F205-W330 HydrophobicContact CZ-CZ3 3.58Å; F205-F477 HydrophobicContact CE1-CE2 4.42Å; F205-F477 AromaticContact CE1-CZ 3.78Å; F205-F477 HydrophobicContact CE1-CZ 3.78Å; F205-F477 AromaticContact CZ-CE2 3.87Å; F205-F477 HydrophobicContact CZ-CE2 3.87Å; F205-F477 AromaticContact CZ-CZ 3.58Å; F205-F477 HydrophobicContact CZ-CZ 3.58Å
206	L	98.4	Very high	93.6	Very high	57 Å²	57	48.4 Å²	48.4	30%	0.298	24%	0.241	S	C	.	.			trans	-65.7	141.7	169	-64.4	176.8	0	0	0	110.8	P209 R329 I332 R335	L206-P209 HydrophobicContact CB-CG 3.91Å; L206-P209 HydrophobicContact CD1-CG 4.41Å; L206-R329 HydrophobicContact CD1-CB 4.47Å; L206-R329 PolarHBondContact N-O 3.32Å; L206-I332 HydrophobicContact CD2-CG1 4.44Å; L206-R335 VanDerWaalsContact CD1-NH2 3.33Å
207	V	97.9	Very high	95.3	Very high	32 Å²	32	48.8 Å²	48.8	19%	0.194	24%	0.241	C	C	.	.	S	Bend	trans	-80.7	-41.7	176.4	179.5	0	0	0	0	111.5	L185 D202 P209 L210 L211 V216 L218	L185-V207 HydrophobicContact CD1-CG1 4.05Å; L185-V207 HydrophobicContact CD1-CG2 4.05Å; D202-V207 HydrophobicContact CB-CG2 4.24Å; V207-P209 VanDerWaalsContact C-CD 3.45Å; V207-L210 VanDerWaalsContact O-CB 3.31Å; V207-L210 WeakPolarHBondContact O-CB 3.44Å; V207-L210 PolarHBondContact O-N 3.44Å; V207-L211 PolarHBondContact O-N 2.85Å; V207-V216 HydrophobicContact CG1-CG2 3.84Å; V207-L218 HydrophobicContact CG2-CD2 3.85Å; V207-L218 HydrophobicContact CG2-CG 4.26Å
208	D	97.4	Very high	96.4	Very high	116 Å²	116	47.8 Å²	47.8	62%	0.62	23%	0.232	S	C	*	.	H	α-helix	trans	-53.8	-39.8	-174.7	-63.8	-13.6	0	0	0	115.6	L210 L211	D208-L210 PolarHBondContact O-N 3.27Å; D208-L211 WeakPolarHBondContact O-CB 3.28Å; D208-L211 PolarHBondContact O-N 3.07Å
209	P	98.5	Very high	97.3	Very high	20 Å²	20	46 Å²	46	13%	0.13	22%	0.224	C	C	.	.	H	α-helix	trans	-61.5	-32.8	176.6	-26.3	38.8	0	0	0	113.1	L206 V207 K212 Y327 R329	L206-P209 HydrophobicContact CB-CG 3.91Å; L206-P209 HydrophobicContact CD1-CG 4.41Å; V207-P209 VanDerWaalsContact C-CD 3.45Å; P209-K212 WeakPolarHBondContact O-CB 3.28Å; P209-K212 PolarHBondContact O-N 2.73Å; P209-Y327 WeakPolarHBondContact CB-O 3.4Å; P209-Y327 WeakPolarHBondContact O-CD1 3.35Å; P209-R329 HydrophobicContact CB-CB 4.47Å; P209-R329 HydrophobicContact CB-CG 3.92Å; P209-R329 HydrophobicContact CG-CB 3.99Å; P209-R329 HydrophobicContact CG-CG 3.83Å
210	L	98.5	Very high	97.5	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-68.3	-36.5	177.3	-64.1	167	0	0	0	111.9	F169 L173 L185 F201 V207 D208 K212 Y213 H214 V216 L328	F169-L210 HydrophobicContact CE1-CD2 3.97Å; F169-L210 HydrophobicContact CZ-CD1 3.99Å; F169-L210 HydrophobicContact CZ-CD2 3.85Å; L173-L210 HydrophobicContact CD2-CD2 3.71Å; L185-L210 HydrophobicContact CD1-CD1 4.05Å; L185-L210 HydrophobicContact CD2-CD1 3.85Å; F201-L210 HydrophobicContact CE1-CD1 3.5Å; F201-L210 VanDerWaalsContact CE1-CD1 3.5Å; F201-L210 HydrophobicContact CZ-CD1 3.58Å; V207-L210 VanDerWaalsContact O-CB 3.31Å; V207-L210 WeakPolarHBondContact O-CB 3.44Å; V207-L210 PolarHBondContact O-N 3.44Å; D208-L210 PolarHBondContact O-N 3.27Å; L210-K212 PolarHBondContact O-N 2.75Å; L210-K212 VanDerWaalsContact O-N 3.11Å; L210-Y213 WeakPolarHBondContact O-CA 3.32Å; L210-Y213 WeakPolarHBondContact O-CB 3.31Å; L210-Y213 PolarHBondContact O-N 3.31Å; L210-H214 PolarHBondContact O-N 3.41Å; L210-H214 VanDerWaalsContact O-O 3.08Å; L210-V216 HydrophobicContact CB-CG1 4.2Å; L210-V216 HydrophobicContact CB-CG2 3.9Å; L210-V216 HydrophobicContact CD1-CG2 4.5Å; L210-L328 HydrophobicContact CD2-CD2 4.48Å
211	L	97.4	Very high	97.5	Very high	91 Å²	91	47 Å²	47	48%	0.476	23%	0.23	S	C	.	.	H	α-helix	trans	-59.7	-22.8	177.2	-67.5	172.8	0	0	0	112.8	V207 D208 Y213 H214 V216	V207-L211 PolarHBondContact O-N 2.85Å; D208-L211 WeakPolarHBondContact O-CB 3.28Å; D208-L211 PolarHBondContact O-N 3.07Å; L211-Y213 VanDerWaalsContact C-N 3.27Å; L211-Y213 PolarHBondContact O-N 3.31Å; L211-H214 WeakPolarHBondContact CA-O 3.35Å; L211-V216 HydrophobicContact CD2-CG2 3.71Å; L211-V216 HydrophobicContact CG-CG2 4.07Å
212	K	97.8	Very high	97.5	Very high	173 Å²	173	47 Å²	47	75%	0.752	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-23.5	173.1	-59	-177	179.7	-178.6	0	113.1	P209 L210 Y327	P209-K212 WeakPolarHBondContact O-CB 3.28Å; P209-K212 PolarHBondContact O-N 2.73Å; L210-K212 PolarHBondContact O-N 2.75Å; L210-K212 VanDerWaalsContact O-N 3.11Å; K212-Y327 HydrophobicContact CB-CD1 4.43Å; K212-Y327 HydrophobicContact CB-CE1 4.13Å
213	Y	98.2	Very high	97.6	Very high	42 Å²	42	44.6 Å²	44.6	17%	0.165	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-48.9	178.9	178.6	-106.5	0	0	0	112.4	L173 K177 L210 L211 L324 Y327	L173-Y213 HydrophobicContact CD1-CD1 4.17Å; L173-Y213 HydrophobicContact CD2-CD1 3.84Å; L173-Y213 HydrophobicContact CD2-CE1 4.27Å; L173-Y213 HydrophobicContact CG-CD1 3.72Å; L173-Y213 HydrophobicContact CG-CE1 3.85Å; K177-Y213 HydrophobicContact CB-CE1 3.99Å; K177-Y213 HydrophobicContact CD-CD1 4.15Å; K177-Y213 HydrophobicContact CD-CD2 4.27Å; K177-Y213 HydrophobicContact CD-CE1 3.55Å; K177-Y213 HydrophobicContact CD-CE2 3.7Å; K177-Y213 HydrophobicContact CD-CG 4.49Å; K177-Y213 HydrophobicContact CG-CE1 4.42Å; K177-Y213 PolarHBondContact NZ-O 3.44Å; L210-Y213 WeakPolarHBondContact O-CA 3.32Å; L210-Y213 WeakPolarHBondContact O-CB 3.31Å; L210-Y213 PolarHBondContact O-N 3.31Å; L211-Y213 VanDerWaalsContact C-N 3.27Å; L211-Y213 PolarHBondContact O-N 3.31Å; Y213-L324 HydrophobicContact CD1-CD2 4.34Å; Y213-L324 HydrophobicContact CD2-CD2 3.71Å; Y213-L324 HydrophobicContact CE1-CD1 4.01Å; Y213-L324 HydrophobicContact CE1-CD2 3.96Å; Y213-L324 HydrophobicContact CE2-CD2 3.25Å; Y213-L324 HydrophobicContact CG-CD2 4.21Å; Y213-Y327 HydrophobicContact CD2-CD2 4.23Å; Y213-Y327 AromaticContact CD2-CE2 3.54Å; Y213-Y327 HydrophobicContact CD2-CE2 3.54Å; Y213-Y327 AromaticContact CD2-CZ 3.99Å; Y213-Y327 HydrophobicContact CE2-CE2 4.46Å; Y213-Y327 HydrophobicContact CG-CD2 4.05Å; Y213-Y327 AromaticContact CG-CE2 3.79Å; Y213-Y327 HydrophobicContact CG-CE2 3.79Å
214	H	98.2	Very high	97.5	Very high	16 Å²	16	46.3 Å²	46.3	7%	0.074	23%	0.227	C	C	.	.	S	Bend	trans	-158.8	161.2	-174.7	-169.8	47.1	0	0	0	112	L173 A176 K177 R181 L210 L211 V216	L173-H214 HydrophobicContact CD1-CB 4.37Å; A176-H214 VanDerWaalsContact C-NE2 3.31Å; A176-H214 PolarHBondContact O-NE2 3.43Å; K177-H214 HydrophobicContact CB-CB 4.1Å; K177-H214 HydrophobicContact CD-CB 4.4Å; K177-H214 HydrophobicContact CG-CB 4.38Å; K177-H214 PolarHBondContact N-NE2 2.88Å; R181-H214 PolarHBondContact O-NE2 3.19Å; L210-H214 PolarHBondContact O-N 3.41Å; L210-H214 VanDerWaalsContact O-O 3.08Å; L211-H214 WeakPolarHBondContact CA-O 3.35Å; H214-V216 PolarHBondContact O-N 3.17Å
215	R	97.9	Very high	97.5	Very high	90 Å²	90	49.5 Å²	49.5	34%	0.34	24%	0.239	S	C	.	.			trans	-68.1	128.9	177	-59.2	-171.4	-62.6	-88.4	-6.5	110.7	D148 N150 N180 T182 L183	D148-R215 IonicContact OD1-NE 3.7Å; D148-R215 IonicContact OD2-CZ 3.71Å; D148-R215 IonicContact OD2-NE 2.72Å; D148-R215 PolarHBondContact OD2-NE 3.03Å; D148-R215 IonicContact OD2-NH2 3.86Å; D148-R215 PolarHBondContact OD2-NH2 3.21Å; N150-R215 PolarHBondContact ND2-NH2 3.17Å; N180-R215 PolarHBondContact O-NH2 3.03Å; N180-R215 PolarHBondContact OD1-NH1 3.44Å; N180-R215 PolarHBondContact OD1-NH2 2.94Å; T182-R215 HydrophobicContact CG2-CB 4.4Å; T182-R215 VanDerWaalsContact OG1-CB 3.25Å; T182-R215 WeakPolarHBondContact OG1-CB 3.3Å; L183-R215 PolarHBondContact N-O 2.8Å; L183-R215 VanDerWaalsContact N-O 3.1Å
216	V	98.4	Very high	97.4	Very high	15 Å²	15	49.5 Å²	49.5	9%	0.091	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	155.5	179.8	-58.5	0	0	0	0	110.9	L173 L183 L185 V207 L210 L211 H214	L173-V216 HydrophobicContact CD1-CG1 3.95Å; L183-V216 HydrophobicContact CB-CG1 4.23Å; L183-V216 CarbonylContact O-C 3.59Å; L183-V216 VanDerWaalsContact O-CA 3.28Å; L183-V216 WeakPolarHBondContact O-CA 3.3Å; L185-V216 HydrophobicContact CD1-CB 4.07Å; L185-V216 HydrophobicContact CD1-CG2 3.98Å; L185-V216 HydrophobicContact CD2-CB 3.94Å; L185-V216 HydrophobicContact CD2-CG1 4.03Å; L185-V216 HydrophobicContact CG-CB 3.97Å; L185-V216 HydrophobicContact CG-CG2 4.44Å; V207-V216 HydrophobicContact CG1-CG2 3.84Å; L210-V216 HydrophobicContact CB-CG1 4.2Å; L210-V216 HydrophobicContact CB-CG2 3.9Å; L210-V216 HydrophobicContact CD1-CG2 4.5Å; L211-V216 HydrophobicContact CD2-CG2 3.71Å; L211-V216 HydrophobicContact CG-CG2 4.07Å; H214-V216 PolarHBondContact O-N 3.17Å
217	I	97.7	Very high	97.3	Very high	22 Å²	22	46.8 Å²	46.8	11%	0.113	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	146.1	174.1	-173.8	169.9	0	0	0	109.2	F145 Y152 T182 L183 A184 L185 M219 D221 F222 I226	F145-I217 HydrophobicContact CD1-CD1 4.14Å; F145-I217 HydrophobicContact CE1-CD1 4.48Å; Y152-I217 HydrophobicContact CD1-CG2 4.13Å; Y152-I217 HydrophobicContact CE1-CG2 4.13Å; T182-I217 HydrophobicContact CG2-CB 4.26Å; T182-I217 HydrophobicContact CG2-CG2 3.83Å; L183-I217 PolarHBondContact O-N 3.5Å; A184-I217 CarbonylContact C-O 3.51Å; A184-I217 VanDerWaalsContact CA-O 3.3Å; A184-I217 WeakPolarHBondContact CA-O 2.91Å; A184-I217 HydrophobicContact CB-CG2 4.23Å; L185-I217 WeakPolarHBondContact CG-O 3.33Å; L185-I217 PolarHBondContact N-O 3.45Å; I217-M219 PolarHBondContact O-N 2.88Å; I217-D221 HydrophobicContact CD1-CB 4.35Å; I217-D221 HydrophobicContact CG1-CB 4.13Å; I217-F222 HydrophobicContact CD1-CB 4.17Å; I217-F222 HydrophobicContact CG1-CB 4.42Å; I217-F222 HydrophobicContact CG2-CB 4Å; I217-I226 HydrophobicContact CD1-CG1 4.06Å
218	L	98	Very high	97.2	Very high	30 Å²	30	49.2 Å²	49.2	16%	0.157	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	136.6	172.6	-66.8	172.7	0	0	0	110.3	L185 F201 D202 V207 S220 D221 F222	L185-L218 HydrophobicContact CB-CD2 4.38Å; L185-L218 HydrophobicContact CD1-CD2 4.07Å; F201-L218 HydrophobicContact CB-CD2 3.96Å; D202-L218 HydrophobicContact CB-CD1 4.33Å; D202-L218 HydrophobicContact CB-CD2 4.03Å; V207-L218 HydrophobicContact CG2-CD2 3.85Å; V207-L218 HydrophobicContact CG2-CG 4.26Å; L218-S220 PolarHBondContact O-N 2.96Å; L218-D221 HydrophobicContact CB-CB 4.27Å; L218-D221 PolarHBondContact O-N 2.9Å; L218-F222 PolarHBondContact O-N 3Å
219	M	97.5	Very high	97.1	Very high	2 Å²	2	50 Å²	50	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-55.2	-39.1	178	-178.8	70.9	167.8	0	0	112.2	L154 A184 L185 I217 D221 F222 M223 W263 F266 I268	L154-M219 HydrophobicContact CB-CE 4.46Å; L154-M219 HydrophobicContact CB-SD 4.49Å; L154-M219 HydrophobicContact CD2-CE 3.51Å; L154-M219 HydrophobicContact CD2-SD 3.72Å; L154-M219 HydrophobicContact CG-CE 3.95Å; L154-M219 HydrophobicContact CG-SD 3.65Å; A184-M219 HydrophobicContact CB-SD 3.94Å; L185-M219 WeakPolarHBondContact O-CB 3.43Å; L185-M219 PolarHBondContact O-N 2.99Å; I217-M219 PolarHBondContact O-N 2.88Å; M219-D221 PolarHBondContact O-N 2.99Å; M219-F222 PolarHBondContact O-N 2.85Å; M219-F222 HydrophobicContact SD-CD1 4.46Å; M219-M223 HydrophobicContact CE-CG 4.18Å; M219-M223 HydrophobicContact CE-SD 4.33Å; M219-M223 HydrophobicContact CG-CG 4.43Å; M219-M223 WeakPolarHBondContact O-CB 3.48Å; M219-M223 VanDerWaalsContact O-CG 3.27Å; M219-M223 WeakPolarHBondContact O-CG 3.37Å; M219-M223 PolarHBondContact O-N 3.46Å; M219-M223 HydrophobicContact SD-CG 4.33Å; M219-W263 HydrophobicContact CE-CZ3 4.23Å; M219-F266 HydrophobicContact CB-CE1 4.18Å; M219-F266 HydrophobicContact CB-CZ 4.08Å; M219-F266 HydrophobicContact CE-CD2 3.99Å; M219-F266 HydrophobicContact CE-CE2 4.29Å; M219-F266 HydrophobicContact CE-CG 4.15Å; M219-F266 HydrophobicContact CG-CD1 4Å; M219-F266 HydrophobicContact CG-CD2 4.29Å; M219-F266 HydrophobicContact CG-CE1 3.51Å; M219-F266 HydrophobicContact CG-CE2 3.84Å; M219-F266 HydrophobicContact CG-CG 4.36Å; M219-F266 HydrophobicContact CG-CZ 3.42Å; M219-F266 VanDerWaalsContact CG-CZ 3.42Å; M219-I268 HydrophobicContact CE-CD1 3.76Å
220	S	95.9	Very high	97	Very high	46 Å²	46	50.6 Å²	50.6	32%	0.322	24%	0.241	S	C	.	.	H	α-helix	trans	-60.2	-44.6	175.7	-63.8	0	0	0	0	112.5	H187 L218 M223 K224	H187-S220 PolarHBondContact CE1-OG 2.78Å; H187-S220 PolarHBondContact NE2-OG 2.89Å; L218-S220 PolarHBondContact O-N 2.96Å; S220-M223 PolarHBondContact O-N 2.97Å; S220-K224 VanDerWaalsContact O-CB 3.32Å; S220-K224 WeakPolarHBondContact O-CB 3.18Å; S220-K224 PolarHBondContact O-N 2.91Å
221	D	96.2	Very high	96.9	Very high	46 Å²	46	50.8 Å²	50.8	25%	0.246	24%	0.242	C	C	.	.	H	α-helix	trans	-70.3	-41.1	179.6	-69.2	-26.2	0	0	0	111.7	F145 I217 L218 M219 M223 K224 Y225	F145-D221 HydrophobicContact CD1-CB 4.42Å; F145-D221 HydrophobicContact CE1-CB 3.65Å; F145-D221 HydrophobicContact CZ-CB 4.27Å; I217-D221 HydrophobicContact CD1-CB 4.35Å; I217-D221 HydrophobicContact CG1-CB 4.13Å; L218-D221 HydrophobicContact CB-CB 4.27Å; L218-D221 PolarHBondContact O-N 2.9Å; M219-D221 PolarHBondContact O-N 2.99Å; D221-M223 VanDerWaalsContact C-N 3.33Å; D221-M223 PolarHBondContact O-N 3.35Å; D221-K224 PolarHBondContact O-N 3.34Å; D221-Y225 HydrophobicContact CB-CD2 4.12Å; D221-Y225 HydrophobicContact CB-CE2 4.39Å; D221-Y225 VanDerWaalsContact O-CD2 3.3Å; D221-Y225 WeakPolarHBondContact O-CD2 3.45Å; D221-Y225 PolarHBondContact O-N 2.9Å
222	F	97.7	Very high	96.9	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.229	C	C	.	.	I	π-helix	trans	-55.6	-50.4	172.2	171.5	-95.2	0	0	0	110.8	Y152 L154 A184 I217 L218 M219 K224 I226 A227 W231 V305	Y152-F222 AromaticContact CD1-CD2 3.7Å; Y152-F222 HydrophobicContact CD1-CD2 3.7Å; Y152-F222 AromaticContact CD1-CE2 3.8Å; Y152-F222 HydrophobicContact CD1-CE2 3.8Å; Y152-F222 HydrophobicContact CD2-CD2 4.43Å; Y152-F222 AromaticContact CD2-CE2 3.75Å; Y152-F222 HydrophobicContact CD2-CE2 3.75Å; Y152-F222 AromaticContact CE1-CD2 4Å; Y152-F222 HydrophobicContact CE1-CD2 4Å; Y152-F222 HydrophobicContact CE1-CE2 4.27Å; Y152-F222 HydrophobicContact CE2-CE2 4.24Å; Y152-F222 AromaticContact CG-CD2 3.93Å; Y152-F222 HydrophobicContact CG-CD2 3.93Å; Y152-F222 AromaticContact CG-CE2 3.51Å; Y152-F222 HydrophobicContact CG-CE2 3.51Å; Y152-F222 HydrophobicContact CG-CZ 4.48Å; L154-F222 HydrophobicContact CD1-CD1 4.17Å; L154-F222 HydrophobicContact CD1-CE1 3.83Å; L154-F222 HydrophobicContact CD1-CZ 4.02Å; L154-F222 HydrophobicContact CD2-CD1 4Å; L154-F222 HydrophobicContact CD2-CE1 3.57Å; L154-F222 HydrophobicContact CD2-CZ 4.41Å; L154-F222 HydrophobicContact CG-CD1 4.44Å; L154-F222 HydrophobicContact CG-CE1 4.24Å; A184-F222 HydrophobicContact CB-CB 4.44Å; A184-F222 HydrophobicContact CB-CG 4.43Å; I217-F222 HydrophobicContact CD1-CB 4.17Å; I217-F222 HydrophobicContact CG1-CB 4.42Å; I217-F222 HydrophobicContact CG2-CB 4Å; L218-F222 PolarHBondContact O-N 3Å; M219-F222 PolarHBondContact O-N 2.85Å; M219-F222 HydrophobicContact SD-CD1 4.46Å; F222-K224 VanDerWaalsContact C-N 3.3Å; F222-K224 PolarHBondContact O-N 2.87Å; F222-I226 HydrophobicContact CD2-CB 3.72Å; F222-I226 HydrophobicContact CD2-CG1 4.31Å; F222-I226 HydrophobicContact CD2-CG2 3.78Å; F222-I226 HydrophobicContact CE2-CB 3.96Å; F222-I226 HydrophobicContact CE2-CG2 3.57Å; F222-I226 HydrophobicContact CG-CB 4.47Å; F222-I226 CarbonylContact O-C 3.5Å; F222-I226 WeakPolarHBondContact O-CA 3.38Å; F222-I226 WeakPolarHBondContact O-CB 3.48Å; F222-I226 PolarHBondContact O-N 2.91Å; F222-A227 HydrophobicContact CD1-CB 4.24Å; F222-A227 HydrophobicContact CE1-CB 3.74Å; F222-A227 HydrophobicContact CZ-CB 4.09Å; F222-A227 PolarHBondContact O-N 3.49Å; F222-W231 HydrophobicContact CE1-CE3 4.02Å; F222-W231 HydrophobicContact CE1-CZ3 4.42Å; F222-W231 HydrophobicContact CZ-CE3 4.35Å; F222-V305 HydrophobicContact CE2-CG2 4.35Å; F222-V305 HydrophobicContact CZ-CG1 4.26Å; F222-V305 HydrophobicContact CZ-CG2 3.72Å
223	M	97	Very high	96.8	Very high	24 Å²	24	43.8 Å²	43.8	12%	0.118	22%	0.22	C	C	.	.	I	π-helix	trans	-66.4	-31.1	-178.4	-71.2	-55.3	-58.4	0	0	113.1	M219 S220 D221 A227 P228 W231 F266 I268	M219-M223 HydrophobicContact CE-CG 4.18Å; M219-M223 HydrophobicContact CE-SD 4.33Å; M219-M223 HydrophobicContact CG-CG 4.43Å; M219-M223 WeakPolarHBondContact O-CB 3.48Å; M219-M223 VanDerWaalsContact O-CG 3.27Å; M219-M223 WeakPolarHBondContact O-CG 3.37Å; M219-M223 PolarHBondContact O-N 3.46Å; M219-M223 HydrophobicContact SD-CG 4.33Å; S220-M223 PolarHBondContact O-N 2.97Å; D221-M223 VanDerWaalsContact C-N 3.33Å; D221-M223 PolarHBondContact O-N 3.35Å; M223-A227 HydrophobicContact CE-CB 4.05Å; M223-A227 HydrophobicContact SD-CB 3.78Å; M223-P228 WeakPolarHBondContact O-CD 3.26Å; M223-W231 HydrophobicContact SD-CE3 4.47Å; M223-W231 HydrophobicContact SD-CZ3 4.28Å; M223-F266 HydrophobicContact CB-CD1 4.24Å; M223-F266 HydrophobicContact CE-CB 4.27Å; M223-F266 WeakPolarHBondContact CE-O 3.36Å; M223-F266 HydrophobicContact CG-CB 4.06Å; M223-F266 HydrophobicContact CG-CD1 3.78Å; M223-F266 HydrophobicContact CG-CG 4.15Å; M223-I268 HydrophobicContact CE-CD1 3.85Å; M223-I268 HydrophobicContact CE-CG1 3.65Å; M223-I268 HydrophobicContact SD-CD1 3.82Å; M223-I268 HydrophobicContact SD-CG1 4.3Å
224	K	95.2	Very high	96.7	Very high	136 Å²	136	49.7 Å²	49.7	59%	0.591	25%	0.246	S	C	*	.	I	π-helix	trans	-79.1	-46	179	-173.5	175.7	176.1	-166.9	0	113.1	S220 D221 F222	S220-K224 VanDerWaalsContact O-CB 3.32Å; S220-K224 WeakPolarHBondContact O-CB 3.18Å; S220-K224 PolarHBondContact O-N 2.91Å; D221-K224 PolarHBondContact O-N 3.34Å; F222-K224 VanDerWaalsContact C-N 3.3Å; F222-K224 PolarHBondContact O-N 2.87Å
225	Y	95.4	Very high	96.6	Very high	80 Å²	80	53.4 Å²	53.4	31%	0.314	27%	0.266	S	S	.	.	I	π-helix	trans	-109.6	-25.5	-166.4	-56.3	-66.9	0	0	0	114.8	F145 D221 K229	F145-Y225 HydrophobicContact CB-CG 4.34Å; F145-Y225 AromaticContact CD1-CD2 3.77Å; F145-Y225 HydrophobicContact CD1-CD2 3.77Å; F145-Y225 HydrophobicContact CD1-CG 4.27Å; F145-Y225 HydrophobicContact CD2-CD1 4.38Å; F145-Y225 AromaticContact CD2-CD2 3.72Å; F145-Y225 HydrophobicContact CD2-CD2 3.72Å; F145-Y225 HydrophobicContact CD2-CE2 4.07Å; F145-Y225 AromaticContact CD2-CG 3.88Å; F145-Y225 HydrophobicContact CD2-CG 3.88Å; F145-Y225 AromaticContact CE1-CD2 3.73Å; F145-Y225 HydrophobicContact CE1-CD2 3.73Å; F145-Y225 HydrophobicContact CE1-CE2 4.11Å; F145-Y225 AromaticContact CE2-CD2 3.65Å; F145-Y225 HydrophobicContact CE2-CD2 3.65Å; F145-Y225 AromaticContact CE2-CE2 3.57Å; F145-Y225 HydrophobicContact CE2-CE2 3.57Å; F145-Y225 HydrophobicContact CE2-CG 4.25Å; F145-Y225 AromaticContact CG-CD2 3.77Å; F145-Y225 HydrophobicContact CG-CD2 3.77Å; F145-Y225 AromaticContact CG-CG 3.88Å; F145-Y225 HydrophobicContact CG-CG 3.88Å; F145-Y225 AromaticContact CZ-CD2 3.65Å; F145-Y225 HydrophobicContact CZ-CD2 3.65Å; F145-Y225 AromaticContact CZ-CE2 3.59Å; F145-Y225 HydrophobicContact CZ-CE2 3.59Å; D221-Y225 HydrophobicContact CB-CD2 4.12Å; D221-Y225 HydrophobicContact CB-CE2 4.39Å; D221-Y225 VanDerWaalsContact O-CD2 3.3Å; D221-Y225 WeakPolarHBondContact O-CD2 3.45Å; D221-Y225 PolarHBondContact O-N 2.9Å; Y225-K229 WeakPolarHBondContact O-CD 3.44Å; Y225-K229 WeakPolarHBondContact O-CE 3.45Å; Y225-K229 PolarHBondContact O-NZ 2.89Å
226	I	96.4	Very high	96.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.254	C	S	.	.	I	π-helix	trans	-109	-50.4	-173	-55.6	-61.3	0	0	0	111.8	F145 V147 Y152 I217 F222 P228 K229 I230	F145-I226 HydrophobicContact CB-CD1 4.07Å; F145-I226 WeakPolarHBondContact O-CD1 3.32Å; V147-I226 HydrophobicContact CG2-CD1 4.44Å; Y152-I226 HydrophobicContact CD2-CG2 4.42Å; Y152-I226 HydrophobicContact CE1-CG2 4.5Å; Y152-I226 HydrophobicContact CE2-CG2 3.75Å; I217-I226 HydrophobicContact CD1-CG1 4.06Å; F222-I226 HydrophobicContact CD2-CB 3.72Å; F222-I226 HydrophobicContact CD2-CG1 4.31Å; F222-I226 HydrophobicContact CD2-CG2 3.78Å; F222-I226 HydrophobicContact CE2-CB 3.96Å; F222-I226 HydrophobicContact CE2-CG2 3.57Å; F222-I226 HydrophobicContact CG-CB 4.47Å; F222-I226 CarbonylContact O-C 3.5Å; F222-I226 WeakPolarHBondContact O-CA 3.38Å; F222-I226 WeakPolarHBondContact O-CB 3.48Å; F222-I226 PolarHBondContact O-N 2.91Å; I226-P228 VanDerWaalsContact C-CD 3.43Å; I226-P228 VanDerWaalsContact C-N 3.33Å; I226-K229 WeakPolarHBondContact O-CB 3.46Å; I226-K229 PolarHBondContact O-N 3.49Å; I226-I230 HydrophobicContact CG2-CD1 3.48Å; I226-I230 VanDerWaalsContact CG2-CD1 3.48Å; I226-I230 HydrophobicContact CG2-CG1 3.94Å; I226-I230 PolarHBondContact O-N 2.83Å
227	A	97.3	Very high	96.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-54.9	-38.9	-175.4	0	0	0	0	0	113.9	F222 M223 K229 W231	F222-A227 HydrophobicContact CD1-CB 4.24Å; F222-A227 HydrophobicContact CE1-CB 3.74Å; F222-A227 HydrophobicContact CZ-CB 4.09Å; F222-A227 PolarHBondContact O-N 3.49Å; M223-A227 HydrophobicContact CE-CB 4.05Å; M223-A227 HydrophobicContact SD-CB 3.78Å; A227-K229 PolarHBondContact O-N 2.7Å; A227-W231 HydrophobicContact CB-CB 4.49Å; A227-W231 CarbonylContact O-C 3.52Å; A227-W231 VanDerWaalsContact O-CA 3.25Å; A227-W231 WeakPolarHBondContact O-CA 3.48Å; A227-W231 PolarHBondContact O-N 2.94Å
228	P	95.2	Very high	96.4	Very high	84 Å²	84	50.2 Å²	50.2	55%	0.545	25%	0.253	S	S	.	.	H	α-helix	trans	-62.3	-27.1	176	-24.5	36.1	0	0	0	113.9	M223 I226	M223-P228 WeakPolarHBondContact O-CD 3.26Å; I226-P228 VanDerWaalsContact C-CD 3.43Å; I226-P228 VanDerWaalsContact C-N 3.33Å
229	K	94.6	Very high	96.4	Very high	131 Å²	131	48.9 Å²	48.9	57%	0.57	25%	0.246	S	C	*	.	H	α-helix	trans	-82.2	-44.8	-177.5	-57.9	175.1	-176.7	167.9	0	112.1	V147 Y225 I226 A227	V147-K229 HydrophobicContact CG2-CD 4.28Å; Y225-K229 WeakPolarHBondContact O-CD 3.44Å; Y225-K229 WeakPolarHBondContact O-CE 3.45Å; Y225-K229 PolarHBondContact O-NZ 2.89Å; I226-K229 WeakPolarHBondContact O-CB 3.46Å; I226-K229 PolarHBondContact O-N 3.49Å; A227-K229 PolarHBondContact O-N 2.7Å
230	I	96.4	Very high	96.2	Very high	34 Å²	34	49.1 Å²	49.1	17%	0.174	25%	0.248	C	C	.	.	H	α-helix	trans	-117.9	-14.7	-169.4	70.4	179.8	0	0	0	114.6	V147 Y152 I226 P232 P304 V305	V147-I230 HydrophobicContact CB-CG2 4.5Å; V147-I230 HydrophobicContact CG1-CD1 4.08Å; V147-I230 HydrophobicContact CG1-CG2 3.78Å; V147-I230 HydrophobicContact CG2-CG2 3.86Å; Y152-I230 HydrophobicContact CD2-CD1 3.69Å; Y152-I230 HydrophobicContact CE2-CD1 3.54Å; I226-I230 HydrophobicContact CG2-CD1 3.48Å; I226-I230 VanDerWaalsContact CG2-CD1 3.48Å; I226-I230 HydrophobicContact CG2-CG1 3.94Å; I226-I230 PolarHBondContact O-N 2.83Å; I230-P232 VanDerWaalsContact C-CD 3.45Å; I230-P304 HydrophobicContact CB-CB 4.26Å; I230-P304 HydrophobicContact CD1-CB 4.1Å; I230-P304 HydrophobicContact CG1-CB 4.33Å; I230-P304 WeakPolarHBondContact O-CG 3.2Å; I230-V305 HydrophobicContact CD1-CG2 4.39Å; I230-V305 HydrophobicContact CG1-CG2 4.44Å
231	W	97.1	Very high	96	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.015	26%	0.263	C	S	.	.			trans	-135.8	56.6	-175	-157.5	48.6	0	0	0	112.7	L154 F222 M223 A227 L235 R236 I268 F270 V305 A307	L154-W231 HydrophobicContact CD2-CE3 4.17Å; L154-W231 HydrophobicContact CD2-CH2 3.9Å; L154-W231 HydrophobicContact CD2-CZ3 3.43Å; L154-W231 VanDerWaalsContact CD2-CZ3 3.43Å; F222-W231 HydrophobicContact CE1-CE3 4.02Å; F222-W231 HydrophobicContact CE1-CZ3 4.42Å; F222-W231 HydrophobicContact CZ-CE3 4.35Å; M223-W231 HydrophobicContact SD-CE3 4.47Å; M223-W231 HydrophobicContact SD-CZ3 4.28Å; A227-W231 HydrophobicContact CB-CB 4.49Å; A227-W231 CarbonylContact O-C 3.52Å; A227-W231 VanDerWaalsContact O-CA 3.25Å; A227-W231 WeakPolarHBondContact O-CA 3.48Å; A227-W231 PolarHBondContact O-N 2.94Å; W231-L235 PolarHBondContact NE1-O 2.91Å; W231-R236 HydrophobicContact CD2-CG 3.87Å; W231-R236 HydrophobicContact CE3-CG 4.29Å; W231-R236 HydrophobicContact CG-CG 4.29Å; W231-R236 HydrophobicContact CH2-CG 4.38Å; W231-R236 HydrophobicContact CZ2-CB 3.94Å; W231-R236 HydrophobicContact CZ2-CG 3.98Å; W231-R236 PolarHBondContact O-NE 3.33Å; W231-I268 HydrophobicContact CH2-CD1 4.41Å; W231-I268 HydrophobicContact CH2-CG2 4.29Å; W231-I268 HydrophobicContact CZ3-CD1 4.01Å; W231-I268 HydrophobicContact CZ3-CG1 4.45Å; W231-F270 HydrophobicContact CH2-CE1 4.26Å; W231-F270 HydrophobicContact CZ2-CE1 4.3Å; W231-V305 HydrophobicContact CB-CB 4.43Å; W231-V305 HydrophobicContact CB-CG2 3.63Å; W231-V305 HydrophobicContact CD2-CB 3.81Å; W231-V305 HydrophobicContact CD2-CG1 3.7Å; W231-V305 HydrophobicContact CD2-CG2 3.87Å; W231-V305 HydrophobicContact CE3-CB 4.5Å; W231-V305 HydrophobicContact CE3-CG1 3.96Å; W231-V305 HydrophobicContact CE3-CG2 4.45Å; W231-V305 HydrophobicContact CG-CB 3.76Å; W231-V305 HydrophobicContact CG-CG1 4.2Å; W231-V305 HydrophobicContact CG-CG2 3.5Å; W231-V305 VanDerWaalsContact CG-CG2 3.5Å; W231-V305 HydrophobicContact CH2-CG1 4.18Å; W231-V305 HydrophobicContact CZ2-CB 4.49Å; W231-V305 HydrophobicContact CZ2-CG1 3.92Å; W231-V305 HydrophobicContact CZ3-CG1 4.2Å; W231-A307 HydrophobicContact CH2-CB 3.6Å; W231-A307 HydrophobicContact CZ2-CB 3.6Å
232	P	96.4	Very high	95.5	Very high	34 Å²	34	52.5 Å²	52.5	22%	0.221	25%	0.251	C	S	.	.			trans	-62.2	157.7	178.4	29.5	-37.2	0	0	0	111	I230 K234 L235	I230-P232 VanDerWaalsContact C-CD 3.45Å; P232-K234 HydrophobicContact CG-CG 4.34Å; P232-K234 PolarHBondContact O-N 3.16Å; P232-L235 HydrophobicContact CG-CB 4.35Å; P232-L235 HydrophobicContact CG-CD1 3.87Å; P232-L235 HydrophobicContact CG-CG 3.99Å; P232-L235 PolarHBondContact O-N 3.48Å
233	P	97.2	Very high	94.9	Very high	84 Å²	84	58.2 Å²	58.2	55%	0.545	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-47.8	-37.6	-174.4	-31.3	36.1	0	0	0	115.6	L235 R236	P233-L235 PolarHBondContact O-N 2.82Å; P233-R236 PolarHBondContact O-N 3.34Å
234	K	96	Very high	93.8	Very high	165 Å²	165	62.7 Å²	62.7	72%	0.717	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-70.5	-9.4	179.9	69.8	-179.1	-178.3	176.6	0	115.6	P232 V271	P232-K234 HydrophobicContact CG-CG 4.34Å; P232-K234 PolarHBondContact O-N 3.16Å; K234-V271 WeakPolarHBondContact O-CG2 3.03Å
235	L	95.6	Very high	92.9	Very high	95 Å²	95	63.4 Å²	63.4	50%	0.497	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-113.8	7	-179.8	-61.3	-175.8	0	0	0	112.5	W231 P232 P233 I237	W231-L235 PolarHBondContact NE1-O 2.91Å; P232-L235 HydrophobicContact CG-CB 4.35Å; P232-L235 HydrophobicContact CG-CD1 3.87Å; P232-L235 HydrophobicContact CG-CG 3.99Å; P232-L235 PolarHBondContact O-N 3.48Å; P233-L235 PolarHBondContact O-N 2.82Å; L235-I237 PolarHBondContact O-N 2.83Å; L235-I237 VanDerWaalsContact O-N 3.11Å
236	R	96.7	Very high	91.8	Very high	24 Å²	24	63.6 Å²	63.6	9%	0.091	33%	0.327	C	S	.	.			trans	-81.2	94.5	-175.8	-61.5	-175	-177.1	170.5	-5.7	110.6	W231 P233 G267 N269 F270 V271	W231-R236 HydrophobicContact CD2-CG 3.87Å; W231-R236 HydrophobicContact CE3-CG 4.29Å; W231-R236 HydrophobicContact CG-CG 4.29Å; W231-R236 HydrophobicContact CH2-CG 4.38Å; W231-R236 HydrophobicContact CZ2-CB 3.94Å; W231-R236 HydrophobicContact CZ2-CG 3.98Å; W231-R236 PolarHBondContact O-NE 3.33Å; P233-R236 PolarHBondContact O-N 3.34Å; R236-G267 PolarHBondContact NH1-O 3.39Å; R236-N269 WeakPolarHBondContact CB-O 3.46Å; R236-F270 HydrophobicContact CB-CD1 4.49Å; R236-F270 CarbonylContact O-C 3.53Å; R236-F270 WeakPolarHBondContact O-CA 3.2Å; R236-V271 PolarHBondContact O-N 3.34Å
237	I	96.2	Very high	90.4	Very high	36 Å²	36	70.5 Å²	70.5	19%	0.185	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	145.2	174.3	61.9	173.4	0	0	0	111	L235 F239 G272 E274 F303	L235-I237 PolarHBondContact O-N 2.83Å; L235-I237 VanDerWaalsContact O-N 3.11Å; I237-F239 HydrophobicContact CD1-CE2 3.84Å; I237-F239 HydrophobicContact CD1-CZ 3.9Å; I237-F239 HydrophobicContact CG1-CE2 3.8Å; I237-F239 HydrophobicContact CG1-CZ 4.37Å; I237-G272 WeakPolarHBondContact CA-O 3.25Å; I237-E274 HydrophobicContact CD1-CG 3.82Å; I237-F303 HydrophobicContact CD1-CD1 3.8Å; I237-F303 HydrophobicContact CD1-CE1 3.68Å
238	G	96.8	Very high	89.1	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	137.9	178.9	0	0	0	0	0	112.6	G272 S273 E274 A307	G238-G272 PolarHBondContact N-O 3.22Å; G238-S273 CarbonylContact O-C 3.46Å; G238-S273 VanDerWaalsContact O-CA 3.28Å; G238-S273 WeakPolarHBondContact O-CA 3.15Å; G238-E274 PolarHBondContact O-N 3.1Å; G238-A307 CarbonylContact C-O 3.45Å; G238-A307 WeakPolarHBondContact CA-O 3.42Å
239	F	96.8	Very high	88.3	Confident	1 Å²	1	80.3 Å²	80.3	0%	0.004	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.5	-178.2	-74.8	-101	0	0	0	111.7	I237 E274 Y298 F303 L306 A307 F308 K309	I237-F239 HydrophobicContact CD1-CE2 3.84Å; I237-F239 HydrophobicContact CD1-CZ 3.9Å; I237-F239 HydrophobicContact CG1-CE2 3.8Å; I237-F239 HydrophobicContact CG1-CZ 4.37Å; F239-E274 WeakPolarHBondContact CA-O 3.43Å; F239-E274 HydrophobicContact CD1-CB 3.71Å; F239-E274 HydrophobicContact CE1-CB 3.67Å; F239-E274 HydrophobicContact CE1-CG 4.09Å; F239-E274 HydrophobicContact CG-CB 4.2Å; F239-E274 HydrophobicContact CZ-CB 4.13Å; F239-E274 HydrophobicContact CZ-CG 4.19Å; F239-Y298 HydrophobicContact CD1-CE2 4.4Å; F239-Y298 AromaticContact CE1-CD1 3.84Å; F239-Y298 HydrophobicContact CE1-CD1 3.84Å; F239-Y298 HydrophobicContact CE1-CD2 4.21Å; F239-Y298 AromaticContact CE1-CE1 3.62Å; F239-Y298 HydrophobicContact CE1-CE1 3.62Å; F239-Y298 AromaticContact CE1-CE2 3.97Å; F239-Y298 HydrophobicContact CE1-CE2 3.97Å; F239-Y298 HydrophobicContact CE1-CG 4.14Å; F239-Y298 AromaticContact CE1-CZ 3.68Å; F239-Y298 HydrophobicContact CZ-CD1 4.27Å; F239-Y298 HydrophobicContact CZ-CE1 4.32Å; F239-F303 AromaticContact CZ-CD1 3.96Å; F239-F303 HydrophobicContact CZ-CD1 3.96Å; F239-F303 HydrophobicContact CZ-CE1 4.41Å; F239-L306 HydrophobicContact CD2-CB 4.4Å; F239-L306 HydrophobicContact CE1-CD2 3.87Å; F239-L306 HydrophobicContact CE2-CB 4.35Å; F239-L306 HydrophobicContact CE2-CD2 3.8Å; F239-L306 HydrophobicContact CZ-CD2 3.41Å; F239-L306 VanDerWaalsContact CZ-CD2 3.41Å; F239-A307 PolarHBondContact N-O 2.68Å; F239-F308 HydrophobicContact CB-CD1 3.67Å; F239-F308 HydrophobicContact CB-CE1 3.85Å; F239-F308 HydrophobicContact CB-CG 4.1Å; F239-F308 HydrophobicContact CB-CZ 4.4Å; F239-F308 VanDerWaalsContact O-CA 3.32Å; F239-F308 WeakPolarHBondContact O-CA 3.43Å; F239-K309 PolarHBondContact O-N 3.34Å; F239-K309 VanDerWaalsContact O-N 3.09Å
240	C	94.3	Very high	87.9	Confident	7 Å²	7	80.2 Å²	80.2	5%	0.047	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	156.3	-169.6	-58.8	0	0	0	0	112.6	C251 E274 F275 F276 K309	C240-C251 HydrophobicContact CB-CB 3.67Å; C240-C251 WeakPolarHBondContact CB-SG 3.49Å; C240-C251 WeakPolarHBondContact SG-CB 3.24Å; C240-C251 CovalentContact SG-SG 1.97Å; C240-C251 PolarHBondContact SG-SG 3.05Å; C240-E274 PolarHBondContact N-O 2.7Å; C240-F275 HydrophobicContact CB-CD1 4.19Å; C240-F275 HydrophobicContact CB-CE1 4.18Å; C240-F275 VanDerWaalsContact O-CA 3.31Å; C240-F275 WeakPolarHBondContact O-CA 3.21Å; C240-F276 VanDerWaalsContact O-CD1 3.22Å; C240-F276 WeakPolarHBondContact O-CD1 3.15Å; C240-F276 VanDerWaalsContact O-CE1 3.31Å; C240-F276 WeakPolarHBondContact O-CE1 3.41Å; C240-F276 PolarHBondContact O-N 3.29Å; C240-K309 VanDerWaalsContact SG-CB 3.53Å
241	Y	91.2	Very high	87.5	Confident	163 Å²	163	79 Å²	79	64%	0.639	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-83	120.2	165.8	-170.2	-85.2	0	0	0	108	F276 N277	Y241-F276 HydrophobicContact CD2-CE2 4.03Å; Y241-F276 HydrophobicContact CD2-CZ 4.16Å; Y241-N277 HydrophobicContact CD2-CB 3.68Å; Y241-N277 HydrophobicContact CE2-CB 3.53Å; Y241-N277 HydrophobicContact CG-CB 4.48Å
242	G	87	Confident	87.2	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-96.6	148.2	-179.9	0	0	0	0	0	111.9	N277	G242-N277 PolarHBondContact N-OD1 3.07Å; G242-N277 PolarHBondContact O-ND2 3Å
243	M	83.5	Confident	87.1	Confident	120 Å²	120	80.8 Å²	80.8	59%	0.591	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-95.4	137.9	167.9	-55.7	-169.8	-174.3	0	0	109.3	N245 D246	M243-N245 PolarHBondContact O-N 2.71Å; M243-D246 WeakPolarHBondContact CB-OD2 3.32Å; M243-D246 PolarHBondContact N-OD2 2.99Å; M243-D246 VanDerWaalsContact N-OD2 3.14Å; M243-D246 WeakPolarHBondContact O-CB 3.31Å; M243-D246 PolarHBondContact O-N 2.74Å
244	P	75	Confident	86.9	Confident	118 Å²	118	79.4 Å²	79.4	77%	0.766	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-26.2	-178.6	-27.3	34.5	0	0	0	114.6
245	N	76.5	Confident	86.7	Confident	151 Å²	151	77 Å²	77	81%	0.807	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	2.5	-177.4	-63.1	-13.6	0	0	0	113.6	M243 V247	M243-N245 PolarHBondContact O-N 2.71Å; N245-V247 PolarHBondContact O-N 3.41Å
246	D	72.3	Confident	86.5	Confident	84 Å²	84	74.5 Å²	74.5	45%	0.449	38%	0.379	S	S	.	.			trans	-68.2	116.3	177.7	-76.3	-26.4	0	0	0	109.8	M243 E248	M243-D246 WeakPolarHBondContact CB-OD2 3.32Å; M243-D246 PolarHBondContact N-OD2 2.99Å; M243-D246 VanDerWaalsContact N-OD2 3.14Å; M243-D246 WeakPolarHBondContact O-CB 3.31Å; M243-D246 PolarHBondContact O-N 2.74Å; D246-E248 PolarHBondContact O-N 3.09Å
247	V	67.3	Low	86.2	Confident	145 Å²	145	78.3 Å²	78.3	88%	0.879	40%	0.398	S	S	*	.	S	Bend	trans	-65.6	-33	178	-176.8	0	0	0	0	110.9	N245	N245-V247 PolarHBondContact O-N 3.41Å
248	E	68.7	Low	86	Confident	110 Å²	110	77.2 Å²	77.2	51%	0.514	39%	0.393	S	S	.	.			trans	-93.3	108.8	178.1	-69.7	176.3	172.3	0	0	110.4	D246 E250 K252	D246-E248 PolarHBondContact O-N 3.09Å; E248-E250 PolarHBondContact O-N 3.25Å; E248-K252 IonicContact OE1-NZ 3.3Å; E248-K252 WeakPolarHBondContact OE2-CE 3.44Å; E248-K252 IonicContact OE2-NZ 3.73Å; E248-K252 PolarHBondContact OE2-NZ 3.4Å
249	K	78.7	Confident	85.8	Confident	180 Å²	180	77.9 Å²	77.9	78%	0.783	40%	0.398	S	S	*	.			trans	-79.4	39.9	171	-62.8	-173.7	178.6	-176.8	0	112.1	F275	K249-F275 HydrophobicContact CB-CE2 4.35Å
250	E	86.6	Confident	85.7	Confident	129 Å²	129	79.7 Å²	79.7	60%	0.603	41%	0.409	S	S	*	.			trans	-124	125.5	177.4	-171.8	-178.4	177.3	0	0	109.6	E248 K252	E248-E250 PolarHBondContact O-N 3.25Å; E250-K252 PolarHBondContact O-N 3.44Å
251	C	87.4	Confident	85.6	Confident	8 Å²	8	80 Å²	80	5%	0.054	41%	0.412	C	S	.	.			trans	-76.5	109.1	169.9	-170.7	0	0	0	0	110.5	C240 M253 S273	C240-C251 HydrophobicContact CB-CB 3.67Å; C240-C251 WeakPolarHBondContact CB-SG 3.49Å; C240-C251 WeakPolarHBondContact SG-CB 3.24Å; C240-C251 CovalentContact SG-SG 1.97Å; C240-C251 PolarHBondContact SG-SG 3.05Å; C251-M253 HydrophobicContact CB-CG 4.39Å; C251-M253 HydrophobicContact CB-SD 4.42Å; C251-M253 PolarHBondContact O-N 3.36Å; C251-M253 VanDerWaalsContact SG-SD 3.6Å; C251-S273 WeakPolarHBondContact CA-OG 3.07Å; C251-S273 VanDerWaalsContact CB-OG 3.25Å; C251-S273 WeakPolarHBondContact CB-OG 3.48Å; C251-S273 VanDerWaalsContact N-CB 3.26Å; C251-S273 PolarHBondContact N-OG 2.96Å
252	K	91.3	Very high	85.7	Confident	73 Å²	73	72.3 Å²	72.3	32%	0.317	38%	0.381	S	S	.	.			trans	-73.5	73.2	172.2	-54.1	-177.5	173	168.3	0	111.3	E248 E250 K254 Q255 K309	E248-K252 IonicContact OE1-NZ 3.3Å; E248-K252 WeakPolarHBondContact OE2-CE 3.44Å; E248-K252 IonicContact OE2-NZ 3.73Å; E248-K252 PolarHBondContact OE2-NZ 3.4Å; E250-K252 PolarHBondContact O-N 3.44Å; K252-K254 PolarHBondContact O-N 3.03Å; K252-Q255 HydrophobicContact CB-CB 3.64Å; K252-Q255 HydrophobicContact CB-CG 4.47Å; K252-Q255 HydrophobicContact CD-CB 4.49Å; K252-Q255 HydrophobicContact CD-CG 4.49Å; K252-Q255 PolarHBondContact O-N 2.93Å; K252-K309 VanDerWaalsContact O-CE 3.3Å; K252-K309 WeakPolarHBondContact O-CE 3.39Å; K252-K309 PolarHBondContact O-NZ 3.25Å
253	M	93.8	Very high	86.2	Confident	4 Å²	4	72.3 Å²	72.3	2%	0.02	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-33.8	-177.8	-68.6	-66.6	-74.8	0	0	112.8	C251 W263 F270 A307 K309	C251-M253 HydrophobicContact CB-CG 4.39Å; C251-M253 HydrophobicContact CB-SD 4.42Å; C251-M253 PolarHBondContact O-N 3.36Å; C251-M253 VanDerWaalsContact SG-SD 3.6Å; M253-W263 HydrophobicContact CE-CH2 4.26Å; M253-W263 HydrophobicContact CE-CZ2 3.63Å; M253-W263 VanDerWaalsContact O-CD1 3.28Å; M253-W263 PolarHBondContact O-NE1 2.91Å; M253-F270 HydrophobicContact CB-CD2 3.36Å; M253-F270 HydrophobicContact CB-CE2 3.43Å; M253-F270 VanDerWaalsContact CB-CE2 3.43Å; M253-F270 HydrophobicContact CB-CG 4.07Å; M253-F270 HydrophobicContact CB-CZ 4.19Å; M253-F270 HydrophobicContact CE-CD1 4.35Å; M253-F270 HydrophobicContact CE-CD2 4.5Å; M253-F270 HydrophobicContact CE-CE1 3.63Å; M253-F270 HydrophobicContact CE-CE2 3.81Å; M253-F270 HydrophobicContact CE-CZ 3.31Å; M253-F270 HydrophobicContact CG-CB 4.44Å; M253-F270 HydrophobicContact CG-CD1 4.16Å; M253-F270 HydrophobicContact CG-CD2 3.63Å; M253-F270 HydrophobicContact CG-CE1 4.32Å; M253-F270 HydrophobicContact CG-CE2 3.8Å; M253-F270 HydrophobicContact CG-CG 3.81Å; M253-F270 HydrophobicContact CG-CZ 4.14Å; M253-A307 VanDerWaalsContact CE-O 3.29Å; M253-A307 WeakPolarHBondContact CE-O 3.25Å; M253-K309 HydrophobicContact CE-CB 4.38Å; M253-K309 HydrophobicContact SD-CB 3.61Å; M253-K309 HydrophobicContact SD-CG 4.33Å
254	K	93.9	Very high	86.7	Confident	54 Å²	54	70.4 Å²	70.4	24%	0.235	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	18.5	-176.3	-61	177.2	68.7	175.8	0	112.6	K252 G256 T260 W263 N264 I268 N269 F270	K252-K254 PolarHBondContact O-N 3.03Å; K254-G256 PolarHBondContact O-N 3.31Å; K254-T260 PolarHBondContact O-OG1 3.21Å; K254-W263 HydrophobicContact CD-CB 4.21Å; K254-W263 HydrophobicContact CG-CB 3.91Å; K254-W263 HydrophobicContact CG-CG 4.15Å; K254-N264 WeakPolarHBondContact CE-OD1 3.33Å; K254-N264 PolarHBondContact NZ-OD1 2.83Å; K254-I268 PolarHBondContact NZ-O 3.34Å; K254-N269 PolarHBondContact NZ-OD1 2.92Å; K254-F270 HydrophobicContact CG-CD2 4.49Å
255	Q	91.2	Very high	87.6	Confident	115 Å²	115	70.2 Å²	70.2	54%	0.537	36%	0.362	S	S	.	.			trans	-79.7	119.9	-179.6	-178.4	178.2	28.3	0	0	110.9	K252	K252-Q255 HydrophobicContact CB-CB 3.64Å; K252-Q255 HydrophobicContact CB-CG 4.47Å; K252-Q255 HydrophobicContact CD-CB 4.49Å; K252-Q255 HydrophobicContact CD-CG 4.49Å; K252-Q255 PolarHBondContact O-N 2.93Å
256	G	90.9	Very high	88.5	Confident	43 Å²	43	64.2 Å²	64.2	44%	0.443	33%	0.329	S	S	.	.	S	Bend	trans	79.8	164.8	177.6	0	0	0	0	0	113.4	K254 S259 T260	K254-G256 PolarHBondContact O-N 3.31Å; G256-S259 WeakPolarHBondContact O-CB 3.3Å; G256-S259 PolarHBondContact O-N 2.63Å; G256-T260 PolarHBondContact O-N 3.08Å; G256-T260 PolarHBondContact O-OG1 2.95Å
257	E	90.1	Very high	89.6	Confident	104 Å²	104	62.3 Å²	62.3	49%	0.486	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	146.1	168.2	-70.3	-61.8	160.2	0	0	109.7	T260 S261	E257-T260 WeakPolarHBondContact OE1-CB 3.38Å; E257-S261 PolarHBondContact OE1-N 3.28Å; E257-S261 WeakPolarHBondContact OE2-CB 3.36Å; E257-S261 PolarHBondContact OE2-N 3.41Å; E257-S261 PolarHBondContact OE2-OG 2.92Å
258	P	92.3	Very high	91	Very high	12 Å²	12	55.4 Å²	55.4	8%	0.078	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	cis	-84.9	-1	5.4	33.6	-35.3	0	0	0	114.9	C158 V189 F191 P196 T260 S261 F262	C158-P258 HydrophobicContact CB-CG 3.89Å; V189-P258 HydrophobicContact CG1-CB 3.53Å; V189-P258 HydrophobicContact CG1-CG 3.85Å; V189-P258 HydrophobicContact CG2-CB 4.31Å; V189-P258 HydrophobicContact CG2-CG 4.38Å; F191-P258 HydrophobicContact CZ-CG 4.21Å; P196-P258 HydrophobicContact CB-CB 4.06Å; P196-P258 HydrophobicContact CG-CB 3.95Å; P258-T260 PolarHBondContact O-N 2.69Å; P258-S261 PolarHBondContact O-N 2.72Å; P258-S261 PolarHBondContact O-OG 3.24Å; P258-F262 WeakPolarHBondContact O-CB 3.48Å; P258-F262 PolarHBondContact O-N 2.9Å
259	S	93.8	Very high	92.3	Very high	14 Å²	14	54.9 Å²	54.9	10%	0.098	29%	0.288	C	S	.	.	H	α-helix	trans	-59.6	-43.2	-173.4	-49.1	0	0	0	0	113.5	C158 G256 W263	C158-S259 WeakPolarHBondContact SG-CA 3.19Å; C158-S259 PolarHBondContact SG-N 3.2Å; C158-S259 PolarHBondContact SG-OG 2.85Å; C158-S259 VanDerWaalsContact SG-OG 3.33Å; G256-S259 WeakPolarHBondContact O-CB 3.3Å; G256-S259 PolarHBondContact O-N 2.63Å; S259-W263 PolarHBondContact O-N 3.49Å
260	T	93.5	Very high	93.2	Very high	39 Å²	39	48.1 Å²	48.1	24%	0.239	26%	0.259	C	S	.	.	H	α-helix	trans	-57.9	-55.4	179.5	-53	0	0	0	0	110.4	K254 G256 E257 P258 N264	K254-T260 PolarHBondContact O-OG1 3.21Å; G256-T260 PolarHBondContact O-N 3.08Å; G256-T260 PolarHBondContact O-OG1 2.95Å; E257-T260 WeakPolarHBondContact OE1-CB 3.38Å; P258-T260 PolarHBondContact O-N 2.69Å; T260-N264 WeakPolarHBondContact O-CB 3.37Å; T260-N264 PolarHBondContact O-N 3.39Å; T260-N264 VanDerWaalsContact O-N 3.12Å; T260-N264 PolarHBondContact O-ND2 3.4Å
261	S	92.4	Very high	93.6	Very high	15 Å²	15	46.4 Å²	46.4	11%	0.105	26%	0.257	C	S	.	.	H	α-helix	trans	-72.6	-31.1	-175.5	70.2	0	0	0	0	113.1	K198 E257 P258 N264 E265	K198-S261 VanDerWaalsContact CE-C 3.5Å; K198-S261 WeakPolarHBondContact CE-O 3.23Å; K198-S261 VanDerWaalsContact CE-OG 3.26Å; K198-S261 WeakPolarHBondContact CE-OG 3.37Å; K198-S261 PolarHBondContact NZ-OG 3.29Å; E257-S261 PolarHBondContact OE1-N 3.28Å; E257-S261 WeakPolarHBondContact OE2-CB 3.36Å; E257-S261 PolarHBondContact OE2-N 3.41Å; E257-S261 PolarHBondContact OE2-OG 2.92Å; P258-S261 PolarHBondContact O-N 2.72Å; P258-S261 PolarHBondContact O-OG 3.24Å; S261-N264 PolarHBondContact O-N 2.65Å; S261-E265 PolarHBondContact O-N 3.08Å; S261-E265 VanDerWaalsContact O-N 3.08Å
262	F	94.6	Very high	94	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	27%	0.267	C	S	.	.	H	α-helix	trans	-60.4	-52.7	173.8	177.5	-92.9	0	0	0	112.2	C156 P157 P186 H187 V189 P258 N264 E265 F266	C156-F262 HydrophobicContact CB-CD1 3.64Å; C156-F262 HydrophobicContact CB-CE1 3.77Å; C156-F262 HydrophobicContact CB-CG 4.21Å; C156-F262 HydrophobicContact CB-CZ 4.43Å; C156-F262 WeakPolarHBondContact SG-CD1 3.41Å; C156-F262 WeakPolarHBondContact SG-CG 3.13Å; P157-F262 HydrophobicContact CG-CE2 4.39Å; P186-F262 HydrophobicContact CB-CE2 4.34Å; P186-F262 HydrophobicContact CB-CZ 4.03Å; H187-F262 HydrophobicContact CB-CE2 4.29Å; V189-F262 HydrophobicContact CG2-CD2 4.35Å; P258-F262 WeakPolarHBondContact O-CB 3.48Å; P258-F262 PolarHBondContact O-N 2.9Å; F262-N264 VanDerWaalsContact C-N 3.32Å; F262-N264 PolarHBondContact O-N 2.88Å; F262-E265 WeakPolarHBondContact O-CB 3.31Å; F262-E265 PolarHBondContact O-N 3.38Å; F262-F266 HydrophobicContact CE1-CE2 4.48Å; F262-F266 HydrophobicContact CE2-CE2 4.12Å; F262-F266 HydrophobicContact CZ-CE2 4.08Å; F262-F266 WeakPolarHBondContact O-CD2 3.49Å
263	W	96	Very high	94.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-69.7	-31.6	-179.6	-66.7	118	0	0	0	112.5	C156 M219 M253 K254 S259 E265 F266 G267 I268 F270 A307 F308	C156-W263 HydrophobicContact CB-CZ2 4.12Å; M219-W263 HydrophobicContact CE-CZ3 4.23Å; M253-W263 HydrophobicContact CE-CH2 4.26Å; M253-W263 HydrophobicContact CE-CZ2 3.63Å; M253-W263 VanDerWaalsContact O-CD1 3.28Å; M253-W263 PolarHBondContact O-NE1 2.91Å; K254-W263 HydrophobicContact CD-CB 4.21Å; K254-W263 HydrophobicContact CG-CB 3.91Å; K254-W263 HydrophobicContact CG-CG 4.15Å; S259-W263 PolarHBondContact O-N 3.49Å; W263-E265 VanDerWaalsContact C-N 3.34Å; W263-F266 PolarHBondContact O-N 3.44Å; W263-G267 PolarHBondContact O-N 2.98Å; W263-I268 HydrophobicContact CB-CB 4.42Å; W263-I268 HydrophobicContact CE3-CB 4.08Å; W263-I268 HydrophobicContact CE3-CD1 3.63Å; W263-I268 HydrophobicContact CE3-CG1 4.45Å; W263-I268 HydrophobicContact CE3-CG2 3.94Å; W263-I268 HydrophobicContact CZ3-CD1 3.81Å; W263-I268 PolarHBondContact O-N 3.09Å; W263-F270 HydrophobicContact CB-CE2 4.48Å; W263-F270 AromaticContact CD2-CE2 3.69Å; W263-F270 HydrophobicContact CD2-CE2 3.69Å; W263-F270 AromaticContact CD2-CZ 3.79Å; W263-F270 HydrophobicContact CD2-CZ 3.79Å; W263-F270 AromaticContact CE2-CE2 3.93Å; W263-F270 AromaticContact CE2-CZ 3.89Å; W263-F270 HydrophobicContact CE3-CE2 4.04Å; W263-F270 AromaticContact CE3-CZ 3.76Å; W263-F270 HydrophobicContact CE3-CZ 3.76Å; W263-F270 AromaticContact CG-CE2 3.89Å; W263-F270 HydrophobicContact CG-CE2 3.89Å; W263-F270 HydrophobicContact CG-CZ 4.46Å; W263-F270 AromaticContact CH2-CZ 3.98Å; W263-F270 HydrophobicContact CH2-CZ 3.98Å; W263-F270 HydrophobicContact CZ2-CE2 4.48Å; W263-F270 HydrophobicContact CZ2-CZ 4Å; W263-F270 AromaticContact CZ3-CZ 3.85Å; W263-F270 HydrophobicContact CZ3-CZ 3.85Å; W263-A307 HydrophobicContact CH2-CB 4.44Å; W263-F308 WeakPolarHBondContact CZ2-O 3.37Å
264	N	94.8	Very high	94.2	Very high	80 Å²	80	47.7 Å²	47.7	43%	0.428	27%	0.273	S	S	.	.	H	α-helix	trans	-64.1	-36.5	175.1	-79.3	-16.2	0	0	0	112.9	K254 T260 S261 F262 F266 G267	K254-N264 WeakPolarHBondContact CE-OD1 3.33Å; K254-N264 PolarHBondContact NZ-OD1 2.83Å; T260-N264 WeakPolarHBondContact O-CB 3.37Å; T260-N264 PolarHBondContact O-N 3.39Å; T260-N264 VanDerWaalsContact O-N 3.12Å; T260-N264 PolarHBondContact O-ND2 3.4Å; S261-N264 PolarHBondContact O-N 2.65Å; F262-N264 VanDerWaalsContact C-N 3.32Å; F262-N264 PolarHBondContact O-N 2.88Å; N264-F266 PolarHBondContact O-N 3.04Å; N264-G267 PolarHBondContact O-N 2.93Å
265	E	93	Very high	94.2	Very high	113 Å²	113	46.4 Å²	46.4	53%	0.528	27%	0.268	S	S	.	.	H	α-helix	trans	-53	-38.2	177.9	-173.9	63.2	-159.3	0	0	111.9	K198 S261 F262 W263	K198-E265 HydrophobicContact CB-CG 4.32Å; K198-E265 HydrophobicContact CG-CB 4.4Å; K198-E265 HydrophobicContact CG-CG 4.29Å; S261-E265 PolarHBondContact O-N 3.08Å; S261-E265 VanDerWaalsContact O-N 3.08Å; F262-E265 WeakPolarHBondContact O-CB 3.31Å; F262-E265 PolarHBondContact O-N 3.38Å; W263-E265 VanDerWaalsContact C-N 3.34Å
266	F	95.7	Very high	94.3	Very high	26 Å²	26	41.4 Å²	41.4	11%	0.114	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	6.6	179.5	-60.3	-73.3	0	0	0	113.8	H187 M219 M223 F262 W263 N264 I268	H187-F266 HydrophobicContact CB-CZ 4.33Å; H187-F266 AromaticContact CD2-CZ 3.62Å; H187-F266 AromaticContact CE1-CZ 3.81Å; H187-F266 AromaticContact CG-CZ 3.69Å; H187-F266 AromaticContact ND1-CZ 3.82Å; H187-F266 AromaticContact NE2-CE1 3.91Å; H187-F266 AromaticContact NE2-CZ 3.69Å; M219-F266 HydrophobicContact CB-CE1 4.18Å; M219-F266 HydrophobicContact CB-CZ 4.08Å; M219-F266 HydrophobicContact CE-CD2 3.99Å; M219-F266 HydrophobicContact CE-CE2 4.29Å; M219-F266 HydrophobicContact CE-CG 4.15Å; M219-F266 HydrophobicContact CG-CD1 4Å; M219-F266 HydrophobicContact CG-CD2 4.29Å; M219-F266 HydrophobicContact CG-CE1 3.51Å; M219-F266 HydrophobicContact CG-CE2 3.84Å; M219-F266 HydrophobicContact CG-CG 4.36Å; M219-F266 HydrophobicContact CG-CZ 3.42Å; M219-F266 VanDerWaalsContact CG-CZ 3.42Å; M223-F266 HydrophobicContact CB-CD1 4.24Å; M223-F266 HydrophobicContact CE-CB 4.27Å; M223-F266 WeakPolarHBondContact CE-O 3.36Å; M223-F266 HydrophobicContact CG-CB 4.06Å; M223-F266 HydrophobicContact CG-CD1 3.78Å; M223-F266 HydrophobicContact CG-CG 4.15Å; F262-F266 HydrophobicContact CE1-CE2 4.48Å; F262-F266 HydrophobicContact CE2-CE2 4.12Å; F262-F266 HydrophobicContact CZ-CE2 4.08Å; F262-F266 WeakPolarHBondContact O-CD2 3.49Å; W263-F266 PolarHBondContact O-N 3.44Å; N264-F266 PolarHBondContact O-N 3.04Å; F266-I268 VanDerWaalsContact C-N 3.25Å; F266-I268 HydrophobicContact CB-CD1 3.67Å; F266-I268 HydrophobicContact CB-CG1 3.84Å; F266-I268 HydrophobicContact CG-CD1 4.47Å; F266-I268 PolarHBondContact O-N 3.38Å
267	G	95.2	Very high	94.4	Very high	44 Å²	44	40.8 Å²	40.8	45%	0.454	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	34.4	-175.3	0	0	0	0	0	113.1	R236 W263 N264	R236-G267 PolarHBondContact NH1-O 3.39Å; W263-G267 PolarHBondContact O-N 2.98Å; N264-G267 PolarHBondContact O-N 2.93Å
268	I	97.1	Very high	94.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.229	C	C	.	.			trans	-91.7	120.4	-178.5	-63.4	170.2	0	0	0	110	M219 M223 W231 K254 W263 F266 F270	M219-I268 HydrophobicContact CE-CD1 3.76Å; M223-I268 HydrophobicContact CE-CD1 3.85Å; M223-I268 HydrophobicContact CE-CG1 3.65Å; M223-I268 HydrophobicContact SD-CD1 3.82Å; M223-I268 HydrophobicContact SD-CG1 4.3Å; W231-I268 HydrophobicContact CH2-CD1 4.41Å; W231-I268 HydrophobicContact CH2-CG2 4.29Å; W231-I268 HydrophobicContact CZ3-CD1 4.01Å; W231-I268 HydrophobicContact CZ3-CG1 4.45Å; K254-I268 PolarHBondContact NZ-O 3.34Å; W263-I268 HydrophobicContact CB-CB 4.42Å; W263-I268 HydrophobicContact CE3-CB 4.08Å; W263-I268 HydrophobicContact CE3-CD1 3.63Å; W263-I268 HydrophobicContact CE3-CG1 4.45Å; W263-I268 HydrophobicContact CE3-CG2 3.94Å; W263-I268 HydrophobicContact CZ3-CD1 3.81Å; W263-I268 PolarHBondContact O-N 3.09Å; F266-I268 VanDerWaalsContact C-N 3.25Å; F266-I268 HydrophobicContact CB-CD1 3.67Å; F266-I268 HydrophobicContact CB-CG1 3.84Å; F266-I268 HydrophobicContact CG-CD1 4.47Å; F266-I268 PolarHBondContact O-N 3.38Å; I268-F270 HydrophobicContact CG2-CD1 4.49Å; I268-F270 HydrophobicContact CG2-CD2 4.16Å; I268-F270 HydrophobicContact CG2-CE1 3.99Å; I268-F270 HydrophobicContact CG2-CE2 3.62Å; I268-F270 HydrophobicContact CG2-CZ 3.52Å
269	N	96.3	Very high	94.4	Very high	98 Å²	98	45.5 Å²	45.5	52%	0.524	25%	0.25	S	S	.	.			trans	-121.7	131.5	167.6	-66.2	-50.5	0	0	0	107.6	R236 K254	R236-N269 WeakPolarHBondContact CB-O 3.46Å; K254-N269 PolarHBondContact NZ-OD1 2.92Å
270	F	96.8	Very high	94.2	Very high	38 Å²	38	48.2 Å²	48.2	17%	0.167	28%	0.28	C	S	.	.			trans	-92.2	140.1	-179.2	-62.4	-85.6	0	0	0	109.9	W231 R236 M253 K254 W263 I268 A307	W231-F270 HydrophobicContact CH2-CE1 4.26Å; W231-F270 HydrophobicContact CZ2-CE1 4.3Å; R236-F270 HydrophobicContact CB-CD1 4.49Å; R236-F270 CarbonylContact O-C 3.53Å; R236-F270 WeakPolarHBondContact O-CA 3.2Å; M253-F270 HydrophobicContact CB-CD2 3.36Å; M253-F270 HydrophobicContact CB-CE2 3.43Å; M253-F270 VanDerWaalsContact CB-CE2 3.43Å; M253-F270 HydrophobicContact CB-CG 4.07Å; M253-F270 HydrophobicContact CB-CZ 4.19Å; M253-F270 HydrophobicContact CE-CD1 4.35Å; M253-F270 HydrophobicContact CE-CD2 4.5Å; M253-F270 HydrophobicContact CE-CE1 3.63Å; M253-F270 HydrophobicContact CE-CE2 3.81Å; M253-F270 HydrophobicContact CE-CZ 3.31Å; M253-F270 HydrophobicContact CG-CB 4.44Å; M253-F270 HydrophobicContact CG-CD1 4.16Å; M253-F270 HydrophobicContact CG-CD2 3.63Å; M253-F270 HydrophobicContact CG-CE1 4.32Å; M253-F270 HydrophobicContact CG-CE2 3.8Å; M253-F270 HydrophobicContact CG-CG 3.81Å; M253-F270 HydrophobicContact CG-CZ 4.14Å; K254-F270 HydrophobicContact CG-CD2 4.49Å; W263-F270 HydrophobicContact CB-CE2 4.48Å; W263-F270 AromaticContact CD2-CE2 3.69Å; W263-F270 HydrophobicContact CD2-CE2 3.69Å; W263-F270 AromaticContact CD2-CZ 3.79Å; W263-F270 HydrophobicContact CD2-CZ 3.79Å; W263-F270 AromaticContact CE2-CE2 3.93Å; W263-F270 AromaticContact CE2-CZ 3.89Å; W263-F270 HydrophobicContact CE3-CE2 4.04Å; W263-F270 AromaticContact CE3-CZ 3.76Å; W263-F270 HydrophobicContact CE3-CZ 3.76Å; W263-F270 AromaticContact CG-CE2 3.89Å; W263-F270 HydrophobicContact CG-CE2 3.89Å; W263-F270 HydrophobicContact CG-CZ 4.46Å; W263-F270 AromaticContact CH2-CZ 3.98Å; W263-F270 HydrophobicContact CH2-CZ 3.98Å; W263-F270 HydrophobicContact CZ2-CE2 4.48Å; W263-F270 HydrophobicContact CZ2-CZ 4Å; W263-F270 AromaticContact CZ3-CZ 3.85Å; W263-F270 HydrophobicContact CZ3-CZ 3.85Å; I268-F270 HydrophobicContact CG2-CD1 4.49Å; I268-F270 HydrophobicContact CG2-CD2 4.16Å; I268-F270 HydrophobicContact CG2-CE1 3.99Å; I268-F270 HydrophobicContact CG2-CE2 3.62Å; I268-F270 HydrophobicContact CG2-CZ 3.52Å; F270-A307 HydrophobicContact CE1-CB 3.89Å; F270-A307 HydrophobicContact CZ-CB 4.41Å
271	V	95.9	Very high	94.2	Very high	93 Å²	93	46.8 Å²	46.8	56%	0.564	27%	0.272	S	S	*	.	S	Bend	trans	-109.3	-4.3	-179.7	-61.7	0	0	0	0	113	K234 R236	K234-V271 WeakPolarHBondContact O-CG2 3.03Å; R236-V271 PolarHBondContact O-N 3.34Å
272	G	94.7	Very high	94.2	Very high	26 Å²	26	48.6 Å²	48.6	27%	0.268	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	176.9	-177.5	0	0	0	0	0	111.9	I237 G238	I237-G272 WeakPolarHBondContact CA-O 3.25Å; G238-G272 PolarHBondContact N-O 3.22Å
273	S	94.9	Very high	94	Very high	28 Å²	28	49.9 Å²	49.9	20%	0.196	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	144	-175	-62.2	0	0	0	0	111.8	G238 C251	G238-S273 CarbonylContact O-C 3.46Å; G238-S273 VanDerWaalsContact O-CA 3.28Å; G238-S273 WeakPolarHBondContact O-CA 3.15Å; C251-S273 WeakPolarHBondContact CA-OG 3.07Å; C251-S273 VanDerWaalsContact CB-OG 3.25Å; C251-S273 WeakPolarHBondContact CB-OG 3.48Å; C251-S273 VanDerWaalsContact N-CB 3.26Å; C251-S273 PolarHBondContact N-OG 2.96Å
274	E	94.8	Very high	93.6	Very high	58 Å²	58	53 Å²	53	27%	0.271	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	134.1	176.6	-82.3	-63.8	150.4	0	0	109.8	I237 G238 F239 C240 Y298	I237-E274 HydrophobicContact CD1-CG 3.82Å; G238-E274 PolarHBondContact O-N 3.1Å; F239-E274 WeakPolarHBondContact CA-O 3.43Å; F239-E274 HydrophobicContact CD1-CB 3.71Å; F239-E274 HydrophobicContact CE1-CB 3.67Å; F239-E274 HydrophobicContact CE1-CG 4.09Å; F239-E274 HydrophobicContact CG-CB 4.2Å; F239-E274 HydrophobicContact CZ-CB 4.13Å; F239-E274 HydrophobicContact CZ-CG 4.19Å; C240-E274 PolarHBondContact N-O 2.7Å; E274-Y298 PolarHBondContact OE2-OH 3.28Å
275	F	94.1	Very high	93	Very high	27 Å²	27	49.6 Å²	49.6	12%	0.118	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	87.8	-179.2	-64.4	-80	0	0	0	109.8	C240 K249 N277 F278	C240-F275 HydrophobicContact CB-CD1 4.19Å; C240-F275 HydrophobicContact CB-CE1 4.18Å; C240-F275 VanDerWaalsContact O-CA 3.31Å; C240-F275 WeakPolarHBondContact O-CA 3.21Å; K249-F275 HydrophobicContact CB-CE2 4.35Å; F275-N277 PolarHBondContact O-N 3.17Å; F275-F278 HydrophobicContact CB-CD2 3.33Å; F275-F278 HydrophobicContact CB-CE2 3.49Å; F275-F278 VanDerWaalsContact CB-CE2 3.49Å; F275-F278 HydrophobicContact CB-CG 3.97Å; F275-F278 HydrophobicContact CB-CZ 4.27Å; F275-F278 HydrophobicContact CD1-CE2 4.35Å; F275-F278 HydrophobicContact CD2-CD2 4.36Å; F275-F278 HydrophobicContact CD2-CE2 4.01Å; F275-F278 HydrophobicContact CG-CD2 4.04Å; F275-F278 AromaticContact CG-CE2 3.71Å; F275-F278 HydrophobicContact CG-CE2 3.71Å; F275-F278 HydrophobicContact CG-CZ 4.45Å; F275-F278 WeakPolarHBondContact O-CB 3.39Å; F275-F278 PolarHBondContact O-N 3.31Å
276	F	94	Very high	92.6	Very high	11 Å²	11	48.6 Å²	48.6	5%	0.048	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-61	-31.2	-168.8	58.4	-99.7	0	0	0	113.4	C240 Y241 F278 Q279 L281 T283 W294 Y298 F308	C240-F276 VanDerWaalsContact O-CD1 3.22Å; C240-F276 WeakPolarHBondContact O-CD1 3.15Å; C240-F276 VanDerWaalsContact O-CE1 3.31Å; C240-F276 WeakPolarHBondContact O-CE1 3.41Å; C240-F276 PolarHBondContact O-N 3.29Å; Y241-F276 HydrophobicContact CD2-CE2 4.03Å; Y241-F276 HydrophobicContact CD2-CZ 4.16Å; F276-F278 PolarHBondContact O-N 3.49Å; F276-Q279 WeakPolarHBondContact O-CB 3.12Å; F276-Q279 PolarHBondContact O-N 2.98Å; F276-L281 HydrophobicContact CB-CB 4.26Å; F276-L281 HydrophobicContact CB-CD1 4.3Å; F276-L281 HydrophobicContact CD2-CB 4.27Å; F276-L281 WeakPolarHBondContact O-CB 3.26Å; F276-L281 PolarHBondContact O-N 3.41Å; F276-T283 HydrophobicContact CE2-CG2 4.17Å; F276-T283 HydrophobicContact CZ-CG2 4.06Å; F276-W294 HydrophobicContact CB-CH2 3.5Å; F276-W294 VanDerWaalsContact CB-CH2 3.5Å; F276-W294 HydrophobicContact CB-CZ2 4.25Å; F276-W294 HydrophobicContact CB-CZ3 4.05Å; F276-W294 AromaticContact CD1-CH2 3.99Å; F276-W294 HydrophobicContact CD1-CH2 3.99Å; F276-W294 AromaticContact CD2-CH2 3.72Å; F276-W294 HydrophobicContact CD2-CH2 3.72Å; F276-W294 AromaticContact CD2-CZ2 3.8Å; F276-W294 HydrophobicContact CD2-CZ2 3.8Å; F276-W294 HydrophobicContact CE2-CH2 4.44Å; F276-W294 HydrophobicContact CE2-CZ2 4.36Å; F276-W294 AromaticContact CG-CH2 3.47Å; F276-W294 HydrophobicContact CG-CH2 3.47Å; F276-W294 VanDerWaalsContact CG-CH2 3.47Å; F276-W294 HydrophobicContact CG-CZ2 4.05Å; F276-W294 HydrophobicContact CG-CZ3 4.43Å; F276-Y298 HydrophobicContact CB-CE2 3.99Å; F276-F308 HydrophobicContact CD1-CD1 4.44Å; F276-F308 HydrophobicContact CD1-CE1 4.01Å; F276-F308 HydrophobicContact CE1-CD1 4.1Å; F276-F308 AromaticContact CE1-CE1 4Å; F276-F308 HydrophobicContact CE1-CE1 4Å
277	N	92.7	Very high	92.2	Very high	29 Å²	29	50.9 Å²	50.9	16%	0.155	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-69.4	-21	179.2	66.2	-56.9	0	0	0	113.2	Y241 G242 F275 Q279 G280 L281	Y241-N277 HydrophobicContact CD2-CB 3.68Å; Y241-N277 HydrophobicContact CE2-CB 3.53Å; Y241-N277 HydrophobicContact CG-CB 4.48Å; G242-N277 PolarHBondContact N-OD1 3.07Å; G242-N277 PolarHBondContact O-ND2 3Å; F275-N277 PolarHBondContact O-N 3.17Å; N277-Q279 PolarHBondContact O-N 2.94Å; N277-G280 PolarHBondContact O-N 3.37Å; N277-G280 VanDerWaalsContact O-N 3.12Å; N277-L281 WeakPolarHBondContact CA-O 3.48Å
278	F	91.6	Very high	91.9	Very high	105 Å²	105	53.1 Å²	53.1	46%	0.461	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-72.3	-17.1	171.4	-58.5	-20.8	0	0	0	112.4	F275 F276 G280	F275-F278 HydrophobicContact CB-CD2 3.33Å; F275-F278 HydrophobicContact CB-CE2 3.49Å; F275-F278 VanDerWaalsContact CB-CE2 3.49Å; F275-F278 HydrophobicContact CB-CG 3.97Å; F275-F278 HydrophobicContact CB-CZ 4.27Å; F275-F278 HydrophobicContact CD1-CE2 4.35Å; F275-F278 HydrophobicContact CD2-CD2 4.36Å; F275-F278 HydrophobicContact CD2-CE2 4.01Å; F275-F278 HydrophobicContact CG-CD2 4.04Å; F275-F278 AromaticContact CG-CE2 3.71Å; F275-F278 HydrophobicContact CG-CE2 3.71Å; F275-F278 HydrophobicContact CG-CZ 4.45Å; F275-F278 WeakPolarHBondContact O-CB 3.39Å; F275-F278 PolarHBondContact O-N 3.31Å; F276-F278 PolarHBondContact O-N 3.49Å; F278-G280 VanDerWaalsContact C-N 3.29Å
279	Q	90.1	Very high	91.6	Very high	110 Å²	110	59.6 Å²	59.6	51%	0.514	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-90.2	9.5	170.4	-55.9	-70	1	0	0	112.4	F276 N277 L281 I297	F276-Q279 WeakPolarHBondContact O-CB 3.12Å; F276-Q279 PolarHBondContact O-N 2.98Å; N277-Q279 PolarHBondContact O-N 2.94Å; Q279-L281 VanDerWaalsContact C-N 3.28Å; Q279-L281 HydrophobicContact CB-CD1 4.3Å; Q279-L281 HydrophobicContact CB-CG 4.33Å; Q279-L281 PolarHBondContact O-N 3.16Å; Q279-I297 HydrophobicContact CB-CD1 4.07Å; Q279-I297 HydrophobicContact CB-CG2 4.22Å; Q279-I297 HydrophobicContact CG-CG2 4.09Å
280	G	91	Very high	91.4	Very high	71 Å²	71	56.9 Å²	56.9	73%	0.732	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	13.6	-176.2	0	0	0	0	0	114.4	N277 F278	N277-G280 PolarHBondContact O-N 3.37Å; N277-G280 VanDerWaalsContact O-N 3.12Å; F278-G280 VanDerWaalsContact C-N 3.29Å
281	L	93.7	Very high	91.2	Very high	10 Å²	10	57 Å²	57	5%	0.052	32%	0.322	C	S	.	.			trans	-87.8	143.4	179.8	-63.5	170.5	0	0	0	112.3	F276 N277 Q279 A293 W294 I297 Y298	F276-L281 HydrophobicContact CB-CB 4.26Å; F276-L281 HydrophobicContact CB-CD1 4.3Å; F276-L281 HydrophobicContact CD2-CB 4.27Å; F276-L281 WeakPolarHBondContact O-CB 3.26Å; F276-L281 PolarHBondContact O-N 3.41Å; N277-L281 WeakPolarHBondContact CA-O 3.48Å; Q279-L281 VanDerWaalsContact C-N 3.28Å; Q279-L281 HydrophobicContact CB-CD1 4.3Å; Q279-L281 HydrophobicContact CB-CG 4.33Å; Q279-L281 PolarHBondContact O-N 3.16Å; L281-A293 HydrophobicContact CD2-CB 3.58Å; L281-W294 HydrophobicContact CB-CD2 4.43Å; L281-W294 HydrophobicContact CB-CH2 4.38Å; L281-W294 HydrophobicContact CB-CZ2 3.82Å; L281-W294 HydrophobicContact CD1-CD2 3.93Å; L281-W294 HydrophobicContact CD1-CE3 3.92Å; L281-W294 HydrophobicContact CD1-CG 4.48Å; L281-W294 HydrophobicContact CD1-CH2 4.36Å; L281-W294 HydrophobicContact CD1-CZ2 4.4Å; L281-W294 HydrophobicContact CD1-CZ3 4.13Å; L281-W294 HydrophobicContact CD2-CD2 4.22Å; L281-W294 HydrophobicContact CD2-CG 4.04Å; L281-W294 HydrophobicContact CG-CD2 4.44Å; L281-I297 HydrophobicContact CD1-CB 4.21Å; L281-I297 HydrophobicContact CD1-CD1 3.9Å; L281-I297 HydrophobicContact CD1-CG2 4.08Å; L281-I297 HydrophobicContact CD2-CD1 3.88Å; L281-I297 HydrophobicContact CG-CD1 3.87Å; L281-Y298 HydrophobicContact CD1-CD2 3.84Å; L281-Y298 HydrophobicContact CD1-CE2 3.44Å; L281-Y298 VanDerWaalsContact CD1-CE2 3.44Å
282	S	91.6	Very high	91.1	Very high	53 Å²	53	58 Å²	58	37%	0.371	32%	0.319	S	S	.	.			trans	-123.3	152	171	-177.6	0	0	0	0	109.9	D284 W294	S282-D284 PolarHBondContact O-N 3.16Å; S282-D284 PolarHBondContact OG-N 3.46Å; S282-D284 VanDerWaalsContact OG-N 3.14Å; S282-W294 PolarHBondContact O-NE1 3.06Å
283	T	90.9	Very high	91.2	Very high	27 Å²	27	58.4 Å²	58.4	17%	0.166	32%	0.319	C	S	.	.	S	Bend	trans	-75.9	-8	169.7	53.8	0	0	0	0	112.5	F276 I285 P312	F276-T283 HydrophobicContact CE2-CG2 4.17Å; F276-T283 HydrophobicContact CZ-CG2 4.06Å; T283-I285 PolarHBondContact O-N 3.03Å; T283-P312 HydrophobicContact CG2-CB 3.9Å
284	D	86.5	Confident	91.3	Very high	67 Å²	67	57.1 Å²	57.1	36%	0.358	31%	0.31	S	S	.	.			trans	-71.5	122.6	164.9	-164.7	-7.2	0	0	0	109.6	S282 L286 H314	S282-D284 PolarHBondContact O-N 3.16Å; S282-D284 PolarHBondContact OG-N 3.46Å; S282-D284 VanDerWaalsContact OG-N 3.14Å; D284-L286 PolarHBondContact OD1-N 3.09Å; D284-H314 WeakPolarHBondContact CB-NE2 3.29Å
285	I	83.4	Confident	91.3	Very high	8 Å²	8	58.7 Å²	58.7	4%	0.041	31%	0.314	C	S	.	.			trans	-133.4	17.9	-166.6	48.5	139.8	0	0	0	112	A174 F175 A178 T283 D287 Q291	A174-I285 HydrophobicContact CB-CD1 4.49Å; F175-I285 VanDerWaalsContact CA-CD1 3.49Å; F175-I285 HydrophobicContact CB-CD1 4.31Å; F175-I285 HydrophobicContact CD2-CD1 4.37Å; F175-I285 HydrophobicContact CD2-CG1 4.25Å; F175-I285 HydrophobicContact CD2-CG2 3.56Å; F175-I285 HydrophobicContact CE2-CG2 3.64Å; A178-I285 HydrophobicContact CB-CB 4.08Å; A178-I285 HydrophobicContact CB-CD1 3.2Å; A178-I285 HydrophobicContact CB-CG1 4.24Å; T283-I285 PolarHBondContact O-N 3.03Å; I285-D287 PolarHBondContact O-N 3.14Å; I285-Q291 HydrophobicContact CB-CG 4.25Å; I285-Q291 PolarHBondContact O-NE2 3.34Å
286	L	84.3	Confident	91.4	Very high	91 Å²	91	63.8 Å²	63.8	48%	0.476	34%	0.342	S	S	.	.	S	Bend	trans	-63.2	-31.4	175	-65.4	179.3	0	0	0	111.6	D284 E320	D284-L286 PolarHBondContact OD1-N 3.09Å; L286-E320 HydrophobicContact CD1-CG 4.45Å; L286-E320 HydrophobicContact CD2-CB 4.01Å; L286-E320 HydrophobicContact CD2-CG 3.86Å
287	D	87.6	Confident	91.6	Very high	75 Å²	75	65.7 Å²	65.7	40%	0.401	35%	0.352	S	S	.	.	S	Bend	trans	-89.9	139.9	176.8	176	66.5	0	0	0	113.3	I285 H289 S290 Q291	I285-D287 PolarHBondContact O-N 3.14Å; D287-H289 PolarHBondContact O-N 3.39Å; D287-H289 IonicContact OD1-CD2 2.68Å; D287-H289 WeakPolarHBondContact OD2-CA 3.13Å; D287-H289 WeakPolarHBondContact OD2-CB 3.3Å; D287-H289 IonicContact OD2-CD2 3.52Å; D287-H289 IonicContact OD2-CG 3.93Å; D287-H289 PolarHBondContact OD2-N 3.36Å; D287-S290 PolarHBondContact O-N 3.46Å; D287-S290 PolarHBondContact OD2-N 2.91Å; D287-Q291 WeakPolarHBondContact O-CG 3.44Å; D287-Q291 PolarHBondContact O-N 2.82Å
288	I	89.1	Confident	91.8	Very high	91 Å²	91	64.4 Å²	64.4	47%	0.467	35%	0.346	S	S	.	.	H	α-helix	trans	-71	-29.9	-175.4	-158.3	171.1	0	0	0	113	S290 Q291 F292	I288-S290 VanDerWaalsContact C-N 3.33Å; I288-Q291 WeakPolarHBondContact O-CB 3.22Å; I288-Q291 PolarHBondContact O-N 3.11Å; I288-F292 HydrophobicContact CD1-CE2 3.76Å; I288-F292 HydrophobicContact CD1-CZ 4.34Å; I288-F292 HydrophobicContact CG1-CD2 3.92Å; I288-F292 HydrophobicContact CG1-CE2 3.53Å; I288-F292 HydrophobicContact CG1-CZ 4.38Å; I288-F292 WeakPolarHBondContact O-CD2 3.36Å; I288-F292 PolarHBondContact O-N 2.94Å
289	H	90.8	Very high	92	Very high	136 Å²	136	61 Å²	61	63%	0.63	33%	0.334	S	S	*	.	H	α-helix	trans	-66.8	-39.2	177.2	-60.4	-77.3	0	0	0	110.9	D287 Q291 F292 A293	D287-H289 PolarHBondContact O-N 3.39Å; D287-H289 IonicContact OD1-CD2 2.68Å; D287-H289 WeakPolarHBondContact OD2-CA 3.13Å; D287-H289 WeakPolarHBondContact OD2-CB 3.3Å; D287-H289 IonicContact OD2-CD2 3.52Å; D287-H289 IonicContact OD2-CG 3.93Å; D287-H289 PolarHBondContact OD2-N 3.36Å; H289-Q291 VanDerWaalsContact C-N 3.31Å; H289-Q291 PolarHBondContact O-N 2.93Å; H289-F292 PolarHBondContact O-N 3.4Å; H289-A293 WeakPolarHBondContact O-CB 3.31Å; H289-A293 PolarHBondContact O-N 3.21Å
290	S	90.6	Very high	92.4	Very high	41 Å²	41	57.5 Å²	57.5	29%	0.287	32%	0.321	S	S	.	.	H	α-helix	trans	-60.7	-42.1	174.1	-60.5	0	0	0	0	111.2	D287 I288 A293 W294	D287-S290 PolarHBondContact O-N 3.46Å; D287-S290 PolarHBondContact OD2-N 2.91Å; I288-S290 VanDerWaalsContact C-N 3.33Å; S290-A293 PolarHBondContact O-N 3.04Å; S290-W294 PolarHBondContact O-N 3Å; S290-W294 VanDerWaalsContact O-N 3.17Å
291	Q	93.5	Very high	92.6	Very high	41 Å²	41	60.6 Å²	60.6	19%	0.192	32%	0.32	C	S	.	.	H	α-helix	trans	-62.9	-42.6	176.2	-61	176	22.8	0	0	112.7	A178 I285 D287 I288 H289 R295	A178-Q291 HydrophobicContact CB-CG 3.85Å; A178-Q291 PolarHBondContact O-OE1 3.13Å; I285-Q291 HydrophobicContact CB-CG 4.25Å; I285-Q291 PolarHBondContact O-NE2 3.34Å; D287-Q291 WeakPolarHBondContact O-CG 3.44Å; D287-Q291 PolarHBondContact O-N 2.82Å; I288-Q291 WeakPolarHBondContact O-CB 3.22Å; I288-Q291 PolarHBondContact O-N 3.11Å; H289-Q291 VanDerWaalsContact C-N 3.31Å; H289-Q291 PolarHBondContact O-N 2.93Å; Q291-R295 WeakPolarHBondContact O-CG 3.4Å; Q291-R295 PolarHBondContact O-N 3.37Å
292	F	94.6	Very high	92.8	Very high	114 Å²	114	64.5 Å²	64.5	50%	0.5	34%	0.344	S	S	.	.	H	α-helix	trans	-66.1	-42.2	176.4	-77.4	-61.6	0	0	0	112	I288 H289 W294 R295 D296	I288-F292 HydrophobicContact CD1-CE2 3.76Å; I288-F292 HydrophobicContact CD1-CZ 4.34Å; I288-F292 HydrophobicContact CG1-CD2 3.92Å; I288-F292 HydrophobicContact CG1-CE2 3.53Å; I288-F292 HydrophobicContact CG1-CZ 4.38Å; I288-F292 WeakPolarHBondContact O-CD2 3.36Å; I288-F292 PolarHBondContact O-N 2.94Å; H289-F292 PolarHBondContact O-N 3.4Å; F292-W294 VanDerWaalsContact C-N 3.29Å; F292-W294 PolarHBondContact O-N 3.34Å; F292-R295 PolarHBondContact O-N 3.13Å; F292-D296 WeakPolarHBondContact O-CB 3.22Å; F292-D296 PolarHBondContact O-N 3.41Å
293	A	95.6	Very high	93	Very high	33 Å²	33	63.9 Å²	63.9	27%	0.273	34%	0.335	S	S	.	.	H	α-helix	trans	-57.9	-41.4	177.9	0	0	0	0	0	111.9	L281 H289 S290 R295 D296 I297	L281-A293 HydrophobicContact CD2-CB 3.58Å; H289-A293 WeakPolarHBondContact O-CB 3.31Å; H289-A293 PolarHBondContact O-N 3.21Å; S290-A293 PolarHBondContact O-N 3.04Å; A293-R295 VanDerWaalsContact C-N 3.33Å; A293-R295 PolarHBondContact O-N 3.23Å; A293-D296 PolarHBondContact O-N 3.35Å; A293-I297 HydrophobicContact CB-CD1 4.45Å; A293-I297 WeakPolarHBondContact O-CB 3.08Å; A293-I297 WeakPolarHBondContact O-CG1 3.44Å; A293-I297 PolarHBondContact O-N 3.3Å
294	W	96.9	Very high	93.4	Very high	1 Å²	1	64 Å²	64	0%	0.004	34%	0.337	C	S	.	.	H	α-helix	trans	-59.5	-41.5	174	-86.7	104.4	0	0	0	113.3	F175 I179 F276 L281 S282 S290 F292 Y298 F308	F175-W294 HydrophobicContact CE2-CD2 4.37Å; F175-W294 AromaticContact CE2-CE2 3.88Å; F175-W294 HydrophobicContact CE2-CZ2 4.18Å; F175-W294 AromaticContact CE2-NE1 3.84Å; F175-W294 AromaticContact CZ-CD2 3.92Å; F175-W294 HydrophobicContact CZ-CD2 3.92Å; F175-W294 AromaticContact CZ-CE2 3.72Å; F175-W294 HydrophobicContact CZ-CE3 4.19Å; F175-W294 HydrophobicContact CZ-CG 4.48Å; F175-W294 HydrophobicContact CZ-CH2 4.16Å; F175-W294 AromaticContact CZ-CZ2 3.86Å; F175-W294 HydrophobicContact CZ-CZ2 3.86Å; F175-W294 HydrophobicContact CZ-CZ3 4.32Å; I179-W294 HydrophobicContact CB-CB 4.25Å; I179-W294 HydrophobicContact CG2-CB 3.52Å; I179-W294 HydrophobicContact CG2-CG 3.79Å; F276-W294 HydrophobicContact CB-CH2 3.5Å; F276-W294 VanDerWaalsContact CB-CH2 3.5Å; F276-W294 HydrophobicContact CB-CZ2 4.25Å; F276-W294 HydrophobicContact CB-CZ3 4.05Å; F276-W294 AromaticContact CD1-CH2 3.99Å; F276-W294 HydrophobicContact CD1-CH2 3.99Å; F276-W294 AromaticContact CD2-CH2 3.72Å; F276-W294 HydrophobicContact CD2-CH2 3.72Å; F276-W294 AromaticContact CD2-CZ2 3.8Å; F276-W294 HydrophobicContact CD2-CZ2 3.8Å; F276-W294 HydrophobicContact CE2-CH2 4.44Å; F276-W294 HydrophobicContact CE2-CZ2 4.36Å; F276-W294 AromaticContact CG-CH2 3.47Å; F276-W294 HydrophobicContact CG-CH2 3.47Å; F276-W294 VanDerWaalsContact CG-CH2 3.47Å; F276-W294 HydrophobicContact CG-CZ2 4.05Å; F276-W294 HydrophobicContact CG-CZ3 4.43Å; L281-W294 HydrophobicContact CB-CD2 4.43Å; L281-W294 HydrophobicContact CB-CH2 4.38Å; L281-W294 HydrophobicContact CB-CZ2 3.82Å; L281-W294 HydrophobicContact CD1-CD2 3.93Å; L281-W294 HydrophobicContact CD1-CE3 3.92Å; L281-W294 HydrophobicContact CD1-CG 4.48Å; L281-W294 HydrophobicContact CD1-CH2 4.36Å; L281-W294 HydrophobicContact CD1-CZ2 4.4Å; L281-W294 HydrophobicContact CD1-CZ3 4.13Å; L281-W294 HydrophobicContact CD2-CD2 4.22Å; L281-W294 HydrophobicContact CD2-CG 4.04Å; L281-W294 HydrophobicContact CG-CD2 4.44Å; S282-W294 PolarHBondContact O-NE1 3.06Å; S290-W294 PolarHBondContact O-N 3Å; S290-W294 VanDerWaalsContact O-N 3.17Å; F292-W294 VanDerWaalsContact C-N 3.29Å; F292-W294 PolarHBondContact O-N 3.34Å; W294-Y298 AromaticContact CE3-CD2 3.68Å; W294-Y298 HydrophobicContact CE3-CD2 3.68Å; W294-Y298 HydrophobicContact CE3-CE2 4.14Å; W294-Y298 AromaticContact CZ3-CD2 3.7Å; W294-Y298 HydrophobicContact CZ3-CD2 3.7Å; W294-Y298 AromaticContact CZ3-CE2 3.78Å; W294-Y298 HydrophobicContact CZ3-CE2 3.78Å; W294-Y298 PolarHBondContact O-N 3.06Å; W294-Y298 VanDerWaalsContact O-N 3.12Å; W294-F308 AromaticContact CH2-CE1 3.83Å; W294-F308 HydrophobicContact CH2-CE1 3.83Å; W294-F308 AromaticContact CH2-CZ 3.91Å; W294-F308 HydrophobicContact CH2-CZ 3.91Å; W294-F308 HydrophobicContact CZ3-CE1 4.2Å; W294-F308 AromaticContact CZ3-CZ 3.87Å; W294-F308 HydrophobicContact CZ3-CZ 3.87Å
295	R	95.4	Very high	93.9	Very high	91 Å²	91	61 Å²	61	34%	0.343	32%	0.32	S	S	.	.	H	α-helix	trans	-73.7	-32.8	-178.6	-63.6	173.7	-168.4	-179.2	3.9	112.2	A178 Q291 F292 A293 P299	A178-R295 PolarHBondContact O-NE 3.28Å; A178-R295 PolarHBondContact O-NH2 3.32Å; Q291-R295 WeakPolarHBondContact O-CG 3.4Å; Q291-R295 PolarHBondContact O-N 3.37Å; F292-R295 PolarHBondContact O-N 3.13Å; A293-R295 VanDerWaalsContact C-N 3.33Å; A293-R295 PolarHBondContact O-N 3.23Å; R295-P299 WeakPolarHBondContact O-CA 3.21Å
296	D	96.2	Very high	94.7	Very high	135 Å²	135	60.6 Å²	60.6	72%	0.722	32%	0.319	S	S	*	.	H	α-helix	trans	-76.8	-46.4	179.9	-171.7	62.2	0	0	0	112	F292 A293 P299	F292-D296 WeakPolarHBondContact O-CB 3.22Å; F292-D296 PolarHBondContact O-N 3.41Å; A293-D296 PolarHBondContact O-N 3.35Å; D296-P299 WeakPolarHBondContact O-CD 3.26Å
297	I	96.9	Very high	95.3	Very high	50 Å²	50	56.3 Å²	56.3	26%	0.256	30%	0.296	S	S	.	.	H	α-helix	trans	-72.8	-37.6	-179	-69.1	162.1	0	0	0	111.4	Q279 L281 A293 P299	Q279-I297 HydrophobicContact CB-CD1 4.07Å; Q279-I297 HydrophobicContact CB-CG2 4.22Å; Q279-I297 HydrophobicContact CG-CG2 4.09Å; L281-I297 HydrophobicContact CD1-CB 4.21Å; L281-I297 HydrophobicContact CD1-CD1 3.9Å; L281-I297 HydrophobicContact CD1-CG2 4.08Å; L281-I297 HydrophobicContact CD2-CD1 3.88Å; L281-I297 HydrophobicContact CG-CD1 3.87Å; A293-I297 HydrophobicContact CB-CD1 4.45Å; A293-I297 WeakPolarHBondContact O-CB 3.08Å; A293-I297 WeakPolarHBondContact O-CG1 3.44Å; A293-I297 PolarHBondContact O-N 3.3Å; I297-P299 VanDerWaalsContact C-CD 3.44Å; I297-P299 WeakPolarHBondContact O-CD 3.31Å
298	Y	97.3	Very high	95.8	Very high	3 Å²	3	52.9 Å²	52.9	1%	0.012	28%	0.278	C	S	.	.	S	Bend	trans	-121	74.9	179.7	-59.6	-59.1	0	0	0	110.6	R181 F239 E274 F276 L281 W294 F303 L306	R181-Y298 PolarHBondContact NH2-O 2.98Å; F239-Y298 HydrophobicContact CD1-CE2 4.4Å; F239-Y298 AromaticContact CE1-CD1 3.84Å; F239-Y298 HydrophobicContact CE1-CD1 3.84Å; F239-Y298 HydrophobicContact CE1-CD2 4.21Å; F239-Y298 AromaticContact CE1-CE1 3.62Å; F239-Y298 HydrophobicContact CE1-CE1 3.62Å; F239-Y298 AromaticContact CE1-CE2 3.97Å; F239-Y298 HydrophobicContact CE1-CE2 3.97Å; F239-Y298 HydrophobicContact CE1-CG 4.14Å; F239-Y298 AromaticContact CE1-CZ 3.68Å; F239-Y298 HydrophobicContact CZ-CD1 4.27Å; F239-Y298 HydrophobicContact CZ-CE1 4.32Å; E274-Y298 PolarHBondContact OE2-OH 3.28Å; F276-Y298 HydrophobicContact CB-CE2 3.99Å; L281-Y298 HydrophobicContact CD1-CD2 3.84Å; L281-Y298 HydrophobicContact CD1-CE2 3.44Å; L281-Y298 VanDerWaalsContact CD1-CE2 3.44Å; W294-Y298 AromaticContact CE3-CD2 3.68Å; W294-Y298 HydrophobicContact CE3-CD2 3.68Å; W294-Y298 HydrophobicContact CE3-CE2 4.14Å; W294-Y298 AromaticContact CZ3-CD2 3.7Å; W294-Y298 HydrophobicContact CZ3-CD2 3.7Å; W294-Y298 AromaticContact CZ3-CE2 3.78Å; W294-Y298 HydrophobicContact CZ3-CE2 3.78Å; W294-Y298 PolarHBondContact O-N 3.06Å; W294-Y298 VanDerWaalsContact O-N 3.12Å; Y298-F303 HydrophobicContact CD1-CD1 4.19Å; Y298-F303 AromaticContact CD1-CD2 3.82Å; Y298-F303 HydrophobicContact CD1-CD2 3.82Å; Y298-F303 HydrophobicContact CD1-CE1 4.12Å; Y298-F303 AromaticContact CD1-CE2 3.75Å; Y298-F303 HydrophobicContact CD1-CE2 3.75Å; Y298-F303 HydrophobicContact CD1-CG 4.03Å; Y298-F303 AromaticContact CD1-CZ 3.9Å; Y298-F303 HydrophobicContact CD1-CZ 3.9Å; Y298-F303 HydrophobicContact CE1-CE1 4.4Å; Y298-F303 HydrophobicContact CE1-CE2 4.45Å; Y298-F303 HydrophobicContact CE1-CZ 4.21Å; Y298-L306 HydrophobicContact CG-CD2 4.43Å
299	P	97.3	Very high	96.1	Very high	34 Å²	34	52.2 Å²	52.2	22%	0.221	27%	0.271	C	S	.	.			trans	-75.2	146.7	-179.8	34	-38.4	0	0	0	111	R295 D296 I297 D301 V302 F303	R295-P299 WeakPolarHBondContact O-CA 3.21Å; D296-P299 WeakPolarHBondContact O-CD 3.26Å; I297-P299 VanDerWaalsContact C-CD 3.44Å; I297-P299 WeakPolarHBondContact O-CD 3.31Å; P299-D301 VanDerWaalsContact C-N 3.33Å; P299-D301 VanDerWaalsContact CB-OD1 3.29Å; P299-D301 WeakPolarHBondContact CB-OD1 3.24Å; P299-D301 PolarHBondContact O-N 3.46Å; P299-V302 HydrophobicContact CG-CB 4.22Å; P299-V302 HydrophobicContact CG-CG2 4.08Å; P299-V302 PolarHBondContact O-N 3.44Å; P299-F303 PolarHBondContact O-N 3.01Å
300	P	97.2	Very high	96.3	Very high	36 Å²	36	46.3 Å²	46.3	23%	0.234	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.4	-171.9	-26	36.2	0	0	0	116.8	P149 N150 F303 P304	P149-P300 WeakPolarHBondContact O-CB 3.33Å; N150-P300 WeakPolarHBondContact O-CG 3.2Å; P300-F303 CarbonylContact O-C 3.45Å; P300-P304 WeakPolarHBondContact O-CA 3.34Å; P300-P304 VanDerWaalsContact O-N 3.11Å
301	D	96	Very high	96.6	Very high	135 Å²	135	45.1 Å²	45.1	72%	0.722	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-33	177.1	61.3	-50	0	0	0	112.2	P299	P299-D301 VanDerWaalsContact C-N 3.33Å; P299-D301 VanDerWaalsContact CB-OD1 3.29Å; P299-D301 WeakPolarHBondContact CB-OD1 3.24Å; P299-D301 PolarHBondContact O-N 3.46Å
302	V	96.5	Very high	96.7	Very high	92 Å²	92	43.3 Å²	43.3	56%	0.558	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-42.6	174.8	-175.7	0	0	0	0	111.1	P299 P304	P299-V302 HydrophobicContact CG-CB 4.22Å; P299-V302 HydrophobicContact CG-CG2 4.08Å; P299-V302 PolarHBondContact O-N 3.44Å; V302-P304 VanDerWaalsContact C-CD 3.46Å; V302-P304 VanDerWaalsContact O-CD 3.26Å; V302-P304 WeakPolarHBondContact O-CD 3.27Å
303	F	97.5	Very high	96.6	Very high	41 Å²	41	38.7 Å²	38.7	18%	0.18	21%	0.214	C	C	.	.			trans	-118.4	75.9	-178.3	-60.1	-85	0	0	0	110	R181 I237 F239 Y298 P299 P300 V305 L306	R181-F303 VanDerWaalsContact CZ-O 3.25Å; R181-F303 PolarHBondContact NH1-O 3.45Å; R181-F303 PolarHBondContact NH2-O 3.4Å; I237-F303 HydrophobicContact CD1-CD1 3.8Å; I237-F303 HydrophobicContact CD1-CE1 3.68Å; F239-F303 AromaticContact CZ-CD1 3.96Å; F239-F303 HydrophobicContact CZ-CD1 3.96Å; F239-F303 HydrophobicContact CZ-CE1 4.41Å; Y298-F303 HydrophobicContact CD1-CD1 4.19Å; Y298-F303 AromaticContact CD1-CD2 3.82Å; Y298-F303 HydrophobicContact CD1-CD2 3.82Å; Y298-F303 HydrophobicContact CD1-CE1 4.12Å; Y298-F303 AromaticContact CD1-CE2 3.75Å; Y298-F303 HydrophobicContact CD1-CE2 3.75Å; Y298-F303 HydrophobicContact CD1-CG 4.03Å; Y298-F303 AromaticContact CD1-CZ 3.9Å; Y298-F303 HydrophobicContact CD1-CZ 3.9Å; Y298-F303 HydrophobicContact CE1-CE1 4.4Å; Y298-F303 HydrophobicContact CE1-CE2 4.45Å; Y298-F303 HydrophobicContact CE1-CZ 4.21Å; P299-F303 PolarHBondContact O-N 3.01Å; P300-F303 CarbonylContact O-C 3.45Å; F303-V305 PolarHBondContact O-N 3.09Å; F303-L306 HydrophobicContact CB-CD2 3.81Å
304	P	97.8	Very high	96.4	Very high	30 Å²	30	41.1 Å²	41.1	20%	0.195	22%	0.22	C	C	.	.	S	Bend	trans	-65.4	-21.8	-179.2	24.7	-34.2	0	0	0	112.6	G151 Y152 I230 P300 V302	G151-P304 CarbonylContact C-O 3.37Å; G151-P304 WeakPolarHBondContact CA-O 3.23Å; Y152-P304 PolarHBondContact N-O 3.13Å; I230-P304 HydrophobicContact CB-CB 4.26Å; I230-P304 HydrophobicContact CD1-CB 4.1Å; I230-P304 HydrophobicContact CG1-CB 4.33Å; I230-P304 WeakPolarHBondContact O-CG 3.2Å; P300-P304 WeakPolarHBondContact O-CA 3.34Å; P300-P304 VanDerWaalsContact O-N 3.11Å; V302-P304 VanDerWaalsContact C-CD 3.46Å; V302-P304 VanDerWaalsContact O-CD 3.26Å; V302-P304 WeakPolarHBondContact O-CD 3.27Å
305	V	98.5	Very high	96.1	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	124.8	-177.7	-174.7	0	0	0	0	110.6	Y152 L154 F222 I230 W231 F303	Y152-V305 WeakPolarHBondContact O-CA 3.35Å; L154-V305 HydrophobicContact CD1-CG1 3.65Å; L154-V305 HydrophobicContact CD2-CG1 4.12Å; L154-V305 HydrophobicContact CG-CG1 4.39Å; F222-V305 HydrophobicContact CE2-CG2 4.35Å; F222-V305 HydrophobicContact CZ-CG1 4.26Å; F222-V305 HydrophobicContact CZ-CG2 3.72Å; I230-V305 HydrophobicContact CD1-CG2 4.39Å; I230-V305 HydrophobicContact CG1-CG2 4.44Å; W231-V305 HydrophobicContact CB-CB 4.43Å; W231-V305 HydrophobicContact CB-CG2 3.63Å; W231-V305 HydrophobicContact CD2-CB 3.81Å; W231-V305 HydrophobicContact CD2-CG1 3.7Å; W231-V305 HydrophobicContact CD2-CG2 3.87Å; W231-V305 HydrophobicContact CE3-CB 4.5Å; W231-V305 HydrophobicContact CE3-CG1 3.96Å; W231-V305 HydrophobicContact CE3-CG2 4.45Å; W231-V305 HydrophobicContact CG-CB 3.76Å; W231-V305 HydrophobicContact CG-CG1 4.2Å; W231-V305 HydrophobicContact CG-CG2 3.5Å; W231-V305 VanDerWaalsContact CG-CG2 3.5Å; W231-V305 HydrophobicContact CH2-CG1 4.18Å; W231-V305 HydrophobicContact CZ2-CB 4.49Å; W231-V305 HydrophobicContact CZ2-CG1 3.92Å; W231-V305 HydrophobicContact CZ3-CG1 4.2Å; F303-V305 PolarHBondContact O-N 3.09Å
306	L	98.4	Very high	96	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	101.4	171.4	-50.6	-175.5	0	0	0	108.9	Y152 I153 L154 I179 F239 Y298 F303 F308	Y152-L306 PolarHBondContact O-N 3.3Å; I153-L306 WeakPolarHBondContact CA-O 3.27Å; L154-L306 PolarHBondContact N-O 3.24Å; I179-L306 HydrophobicContact CD1-CD1 3.86Å; F239-L306 HydrophobicContact CD2-CB 4.4Å; F239-L306 HydrophobicContact CE1-CD2 3.87Å; F239-L306 HydrophobicContact CE2-CB 4.35Å; F239-L306 HydrophobicContact CE2-CD2 3.8Å; F239-L306 HydrophobicContact CZ-CD2 3.41Å; F239-L306 VanDerWaalsContact CZ-CD2 3.41Å; Y298-L306 HydrophobicContact CG-CD2 4.43Å; F303-L306 HydrophobicContact CB-CD2 3.81Å; L306-F308 HydrophobicContact CB-CD2 4.38Å; L306-F308 HydrophobicContact CB-CE2 3.65Å; L306-F308 HydrophobicContact CB-CZ 4.23Å
307	A	98.2	Very high	95.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	103.1	-177.9	0	0	0	0	0	111.3	L154 W231 G238 F239 M253 W263 F270	L154-A307 HydrophobicContact CB-CB 4.16Å; L154-A307 CarbonylContact O-C 3.4Å; L154-A307 WeakPolarHBondContact O-CA 3.27Å; W231-A307 HydrophobicContact CH2-CB 3.6Å; W231-A307 HydrophobicContact CZ2-CB 3.6Å; G238-A307 CarbonylContact C-O 3.45Å; G238-A307 WeakPolarHBondContact CA-O 3.42Å; F239-A307 PolarHBondContact N-O 2.68Å; M253-A307 VanDerWaalsContact CE-O 3.29Å; M253-A307 WeakPolarHBondContact CE-O 3.25Å; W263-A307 HydrophobicContact CH2-CB 4.44Å; F270-A307 HydrophobicContact CE1-CB 3.89Å; F270-A307 HydrophobicContact CZ-CB 4.41Å
308	F	97.9	Very high	95.7	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.018	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	142.9	-175.1	-66.1	-93.5	0	0	0	113	I153 L154 Y155 F175 F239 W263 F276 W294 L306 G310 P312	I153-F308 HydrophobicContact CG2-CD2 4.01Å; I153-F308 HydrophobicContact CG2-CE2 4.04Å; L154-F308 PolarHBondContact O-N 3.46Å; Y155-F308 WeakPolarHBondContact CA-O 3.36Å; F175-F308 HydrophobicContact CE1-CE2 4.04Å; F175-F308 AromaticContact CE1-CZ 3.88Å; F175-F308 HydrophobicContact CE1-CZ 3.88Å; F175-F308 HydrophobicContact CZ-CZ 4.19Å; F239-F308 HydrophobicContact CB-CD1 3.67Å; F239-F308 HydrophobicContact CB-CE1 3.85Å; F239-F308 HydrophobicContact CB-CG 4.1Å; F239-F308 HydrophobicContact CB-CZ 4.4Å; F239-F308 VanDerWaalsContact O-CA 3.32Å; F239-F308 WeakPolarHBondContact O-CA 3.43Å; W263-F308 WeakPolarHBondContact CZ2-O 3.37Å; F276-F308 HydrophobicContact CD1-CD1 4.44Å; F276-F308 HydrophobicContact CD1-CE1 4.01Å; F276-F308 HydrophobicContact CE1-CD1 4.1Å; F276-F308 AromaticContact CE1-CE1 4Å; F276-F308 HydrophobicContact CE1-CE1 4Å; W294-F308 AromaticContact CH2-CE1 3.83Å; W294-F308 HydrophobicContact CH2-CE1 3.83Å; W294-F308 AromaticContact CH2-CZ 3.91Å; W294-F308 HydrophobicContact CH2-CZ 3.91Å; W294-F308 HydrophobicContact CZ3-CE1 4.2Å; W294-F308 AromaticContact CZ3-CZ 3.87Å; W294-F308 HydrophobicContact CZ3-CZ 3.87Å; L306-F308 HydrophobicContact CB-CD2 4.38Å; L306-F308 HydrophobicContact CB-CE2 3.65Å; L306-F308 HydrophobicContact CB-CZ 4.23Å; F308-G310 VanDerWaalsContact C-N 3.26Å; F308-G310 WeakPolarHBondContact CB-O 3.44Å; F308-G310 PolarHBondContact O-N 2.68Å; F308-P312 HydrophobicContact CD1-CB 4.04Å; F308-P312 HydrophobicContact CD2-CB 4.11Å; F308-P312 HydrophobicContact CD2-CG 4.02Å; F308-P312 HydrophobicContact CE1-CB 4.11Å; F308-P312 HydrophobicContact CE2-CB 4.18Å; F308-P312 HydrophobicContact CE2-CG 4.26Å; F308-P312 HydrophobicContact CG-CB 4.04Å; F308-P312 HydrophobicContact CG-CG 4.28Å; F308-P312 HydrophobicContact CZ-CB 4.18Å
309	K	95.2	Very high	95.4	Very high	76 Å²	76	39 Å²	39	33%	0.33	21%	0.211	S	C	.	.	S	Bend	trans	-58.9	-38	177.6	-179.7	172.2	178.2	176.1	0	112.9	F239 C240 K252 M253	F239-K309 PolarHBondContact O-N 3.34Å; F239-K309 VanDerWaalsContact O-N 3.09Å; C240-K309 VanDerWaalsContact SG-CB 3.53Å; K252-K309 VanDerWaalsContact O-CE 3.3Å; K252-K309 WeakPolarHBondContact O-CE 3.39Å; K252-K309 PolarHBondContact O-NZ 3.25Å; M253-K309 HydrophobicContact CE-CB 4.38Å; M253-K309 HydrophobicContact SD-CB 3.61Å; M253-K309 HydrophobicContact SD-CG 4.33Å
310	G	94.7	Very high	95.2	Very high	13 Å²	13	42.5 Å²	42.5	13%	0.134	22%	0.224	C	C	.	.	S	Bend	trans	-135.7	-178	174.2	0	0	0	0	0	109.8	Y155 F308	Y155-G310 WeakPolarHBondContact CB-O 3.4Å; F308-G310 VanDerWaalsContact C-N 3.26Å; F308-G310 WeakPolarHBondContact CB-O 3.44Å; F308-G310 PolarHBondContact O-N 2.68Å
311	A	96.2	Very high	95.1	Very high	16 Å²	16	42 Å²	42	13%	0.132	22%	0.219	C	C	.	.			trans	-57.8	128	177.5	0	0	0	0	0	111.7	Y155 H168 S172 A313	Y155-A311 VanDerWaalsContact CD2-CA 3.41Å; Y155-A311 HydrophobicContact CD2-CB 3.73Å; Y155-A311 HydrophobicContact CE2-CB 3.72Å; H168-A311 HydrophobicContact CB-CB 3.47Å; H168-A311 VanDerWaalsContact CB-CB 3.47Å; S172-A311 WeakPolarHBondContact OG-CB 3.42Å; A311-A313 PolarHBondContact O-N 3.45Å
312	P	96.3	Very high	95.1	Very high	3 Å²	3	37 Å²	37	2%	0.019	19%	0.191	C	C	.	.	S	Bend	trans	-76.4	62.3	174.8	33.1	-36.9	0	0	0	110.6	I153 F175 T283 F308	I153-P312 HydrophobicContact CG2-CG 4.3Å; F175-P312 WeakPolarHBondContact CB-O 3.47Å; F175-P312 HydrophobicContact CD1-CB 3.65Å; F175-P312 HydrophobicContact CD1-CG 3.54Å; F175-P312 HydrophobicContact CE1-CB 3.75Å; F175-P312 HydrophobicContact CE1-CG 3.99Å; F175-P312 HydrophobicContact CG-CB 4.07Å; F175-P312 HydrophobicContact CG-CG 4.15Å; F175-P312 WeakPolarHBondContact CG-O 3.47Å; F175-P312 HydrophobicContact CZ-CB 4.28Å; T283-P312 HydrophobicContact CG2-CB 3.9Å; F308-P312 HydrophobicContact CD1-CB 4.04Å; F308-P312 HydrophobicContact CD2-CB 4.11Å; F308-P312 HydrophobicContact CD2-CG 4.02Å; F308-P312 HydrophobicContact CE1-CB 4.11Å; F308-P312 HydrophobicContact CE2-CB 4.18Å; F308-P312 HydrophobicContact CE2-CG 4.26Å; F308-P312 HydrophobicContact CG-CB 4.04Å; F308-P312 HydrophobicContact CG-CG 4.28Å; F308-P312 HydrophobicContact CZ-CB 4.18Å
313	A	93.3	Very high	95	Very high	16 Å²	16	36.1 Å²	36.1	13%	0.132	19%	0.189	C	C	.	.	S	Bend	trans	-156.4	151	-172.6	0	0	0	0	0	111.7	A311	A311-A313 PolarHBondContact O-N 3.45Å
314	H	90.1	Very high	95	Very high	84 Å²	84	34.5 Å²	34.5	39%	0.389	18%	0.182	S	C	.	.			trans	-64.4	153.4	169.1	-72.3	-80.6	0	0	0	111.9	D284 P316	D284-H314 WeakPolarHBondContact CB-NE2 3.29Å; H314-P316 CarbonylContact C-O 3.52Å; H314-P316 VanDerWaalsContact C-O 3.26Å
315	F	92.2	Very high	95.1	Very high	71 Å²	71	33.1 Å²	33.1	31%	0.311	17%	0.173	S	C	.	.	S	Bend	trans	-125.4	130.9	169.8	179.6	-90.9	0	0	0	110	N164 E167 H168 F376 T473	N164-F315 HydrophobicContact CB-CD2 4.5Å; N164-F315 HydrophobicContact CB-CE2 3.74Å; N164-F315 HydrophobicContact CB-CZ 4.35Å; E167-F315 HydrophobicContact CB-CD2 3.93Å; E167-F315 HydrophobicContact CB-CE2 3.98Å; E167-F315 HydrophobicContact CG-CD2 4.17Å; E167-F315 HydrophobicContact CG-CE2 3.73Å; H168-F315 VanDerWaalsContact CE1-CB 3.49Å; H168-F315 WeakPolarHBondContact CE1-CB 3.4Å; H168-F315 AromaticContact NE2-CD2 3.73Å; F315-F376 AromaticContact CE1-CD1 3.64Å; F315-F376 HydrophobicContact CE1-CD1 3.64Å; F315-F376 HydrophobicContact CE1-CE1 4.38Å; F315-F376 AromaticContact CZ-CD1 3.7Å; F315-F376 HydrophobicContact CZ-CD1 3.7Å; F315-F376 HydrophobicContact CZ-CE1 4.48Å; F315-T473 HydrophobicContact CE2-CG2 3.9Å; F315-T473 HydrophobicContact CZ-CG2 3.64Å
316	P	91.9	Very high	95	Very high	22 Å²	22	39.1 Å²	39.1	14%	0.143	20%	0.195	C	C	.	.	S	Bend	cis	-60.6	179.8	-12	-19.3	31.4	0	0	0	113.2	H314 S318 F376 D377	H314-P316 CarbonylContact C-O 3.52Å; H314-P316 VanDerWaalsContact C-O 3.26Å; P316-S318 PolarHBondContact O-N 2.98Å; P316-F376 VanDerWaalsContact CG-C 3.4Å; P316-F376 WeakPolarHBondContact CG-O 3.33Å; P316-D377 HydrophobicContact CB-CB 3.81Å; P316-D377 WeakPolarHBondContact CB-OD1 3.41Å; P316-D377 HydrophobicContact CG-CB 3.7Å
317	V	94	Very high	95	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	21%	0.205	C	C	.	.			trans	-62.1	136.7	176.3	74.7	0	0	0	0	110.9	E167 L170 H321 E322 R379	E167-V317 WeakPolarHBondContact OE2-CG1 3.36Å; E167-V317 PolarHBondContact OE2-N 3.01Å; L170-V317 HydrophobicContact CB-CG2 3.75Å; V317-H321 HydrophobicContact CG2-CB 3.7Å; V317-E322 HydrophobicContact CG1-CG 3.84Å; V317-R379 PolarHBondContact O-NH2 2.03Å
318	S	92.3	Very high	95	Very high	27 Å²	27	41.6 Å²	41.6	19%	0.189	21%	0.205	C	C	.	.			trans	-62.1	147.5	173.3	-48.3	0	0	0	0	111.2	P316 E320 H321 E322	P316-S318 PolarHBondContact O-N 2.98Å; S318-E320 VanDerWaalsContact CB-OE2 3.28Å; S318-E320 WeakPolarHBondContact CB-OE2 3.48Å; S318-E320 PolarHBondContact O-N 2.78Å; S318-E320 VanDerWaalsContact O-N 3.17Å; S318-H321 PolarHBondContact O-N 3.39Å; S318-E322 PolarHBondContact O-N 2.71Å
319	K	92.2	Very high	95	Very high	116 Å²	116	44.4 Å²	44.4	50%	0.504	22%	0.216	S	C	.	.	H	α-helix	trans	-55.5	-37	-175	-172.7	175.4	-169.9	165.9	0	112.7	H321 E322 D384	K319-H321 PolarHBondContact O-N 2.95Å; K319-E322 PolarHBondContact O-N 2.84Å; K319-D384 IonicContact NZ-OD2 3.71Å; K319-D384 PolarHBondContact NZ-OD2 3.45Å
320	E	92.9	Very high	95.2	Very high	106 Å²	106	41.2 Å²	41.2	50%	0.495	20%	0.202	S	C	.	.	H	α-helix	trans	-62.5	-22.4	179.4	-59.4	71.7	-153.2	0	0	112.4	L286 S318	L286-E320 HydrophobicContact CD1-CG 4.45Å; L286-E320 HydrophobicContact CD2-CB 4.01Å; L286-E320 HydrophobicContact CD2-CG 3.86Å; S318-E320 VanDerWaalsContact CB-OE2 3.28Å; S318-E320 WeakPolarHBondContact CB-OE2 3.48Å; S318-E320 PolarHBondContact O-N 2.78Å; S318-E320 VanDerWaalsContact O-N 3.17Å
321	H	95.1	Very high	95.3	Very high	25 Å²	25	40.7 Å²	40.7	12%	0.116	20%	0.196	C	C	.	.	H	α-helix	trans	-107.3	-6.5	-175.9	-54.2	-31.2	0	0	0	113.2	A174 V317 S318 K319 S323 L324	A174-H321 HydrophobicContact CB-CB 4.4Å; V317-H321 HydrophobicContact CG2-CB 3.7Å; S318-H321 PolarHBondContact O-N 3.39Å; K319-H321 PolarHBondContact O-N 2.95Å; H321-S323 PolarHBondContact O-N 2.79Å; H321-L324 HydrophobicContact CB-CD1 4.17Å; H321-L324 VanDerWaalsContact O-CB 3.23Å; H321-L324 WeakPolarHBondContact O-CB 3.47Å; H321-L324 VanDerWaalsContact O-CG 3.3Å; H321-L324 WeakPolarHBondContact O-CG 3.44Å; H321-L324 PolarHBondContact O-N 3.28Å
322	E	95	Very high	95.4	Very high	32 Å²	32	44.4 Å²	44.4	15%	0.15	21%	0.212	C	C	.	.	H	α-helix	trans	-57.4	-37.1	177.1	-72.4	-176.8	-159.6	0	0	112.4	V317 S318 K319 L324 Q325 R479	V317-E322 HydrophobicContact CG1-CG 3.84Å; S318-E322 PolarHBondContact O-N 2.71Å; K319-E322 PolarHBondContact O-N 2.84Å; E322-L324 PolarHBondContact O-N 2.86Å; E322-L324 VanDerWaalsContact O-N 3.08Å; E322-Q325 WeakPolarHBondContact O-CB 3.26Å; E322-Q325 PolarHBondContact O-N 3.01Å; E322-Q325 VanDerWaalsContact O-N 3.09Å; E322-R479 IonicContact OE2-CZ 3.31Å; E322-R479 IonicContact OE2-NH1 3.88Å; E322-R479 PolarHBondContact OE2-NH1 3.29Å
323	S	95.8	Very high	95.5	Very high	73 Å²	73	48.9 Å²	48.9	51%	0.51	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-62.2	-17.5	179.6	69.9	0	0	0	0	113.8	H321 Q325 R326	H321-S323 PolarHBondContact O-N 2.79Å; S323-Q325 PolarHBondContact O-N 2.87Å; S323-R326 WeakPolarHBondContact O-CD 3.35Å; S323-R326 VanDerWaalsContact O-CG 3.28Å; S323-R326 WeakPolarHBondContact O-CG 3.13Å; S323-R326 PolarHBondContact O-N 2.97Å
324	L	98	Very high	95.7	Very high	7 Å²	7	48.2 Å²	48.2	4%	0.037	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-66.4	-16.8	176.1	-59.4	-173.9	0	0	0	112.8	L170 A174 Y213 H321 E322 R326 Y327	L170-L324 HydrophobicContact CD2-CB 3.94Å; L170-L324 WeakPolarHBondContact O-CD1 3.32Å; A174-L324 HydrophobicContact CB-CD1 3.86Å; Y213-L324 HydrophobicContact CD1-CD2 4.34Å; Y213-L324 HydrophobicContact CD2-CD2 3.71Å; Y213-L324 HydrophobicContact CE1-CD1 4.01Å; Y213-L324 HydrophobicContact CE1-CD2 3.96Å; Y213-L324 HydrophobicContact CE2-CD2 3.25Å; Y213-L324 HydrophobicContact CG-CD2 4.21Å; H321-L324 HydrophobicContact CB-CD1 4.17Å; H321-L324 VanDerWaalsContact O-CB 3.23Å; H321-L324 WeakPolarHBondContact O-CB 3.47Å; H321-L324 VanDerWaalsContact O-CG 3.3Å; H321-L324 WeakPolarHBondContact O-CG 3.44Å; H321-L324 PolarHBondContact O-N 3.28Å; E322-L324 PolarHBondContact O-N 2.86Å; E322-L324 VanDerWaalsContact O-N 3.08Å; L324-R326 PolarHBondContact O-N 3.05Å; L324-Y327 HydrophobicContact CD2-CD2 4.16Å; L324-Y327 HydrophobicContact CD2-CE2 3.97Å; L324-Y327 WeakPolarHBondContact O-CD2 3.12Å; L324-Y327 PolarHBondContact O-N 3.21Å
325	Q	98.2	Very high	96.1	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-50	-29.5	170.2	-172.8	71.9	39.8	0	0	112.3	L170 E322 S323 Y327 L328 R480 E481 V484	L170-Q325 HydrophobicContact CD1-CB 4.42Å; E322-Q325 WeakPolarHBondContact O-CB 3.26Å; E322-Q325 PolarHBondContact O-N 3.01Å; E322-Q325 VanDerWaalsContact O-N 3.09Å; S323-Q325 PolarHBondContact O-N 2.87Å; Q325-Y327 PolarHBondContact O-N 3.17Å; Q325-L328 PolarHBondContact O-N 3.31Å; Q325-R480 HydrophobicContact CB-CB 3.89Å; Q325-R480 HydrophobicContact CG-CB 3.64Å; Q325-E481 HydrophobicContact CG-CB 4.36Å; Q325-V484 HydrophobicContact CB-CG2 4.23Å; Q325-V484 HydrophobicContact CG-CG2 4.45Å
326	R	97.9	Very high	96.4	Very high	128 Å²	128	50.7 Å²	50.7	48%	0.483	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-60.6	-19.4	178.6	80.3	-166.5	-28.3	-159	6.5	114.7	S323 L324 R329 V484	S323-R326 WeakPolarHBondContact O-CD 3.35Å; S323-R326 VanDerWaalsContact O-CG 3.28Å; S323-R326 WeakPolarHBondContact O-CG 3.13Å; S323-R326 PolarHBondContact O-N 2.97Å; L324-R326 PolarHBondContact O-N 3.05Å; R326-R329 VanDerWaalsContact O-CZ 3.26Å; R326-R329 PolarHBondContact O-NE 2.8Å; R326-R329 PolarHBondContact O-NH2 3.05Å; R326-V484 HydrophobicContact CB-CB 4.45Å; R326-V484 HydrophobicContact CB-CG1 3.7Å; R326-V484 HydrophobicContact CB-CG2 3.8Å
327	Y	98.5	Very high	96.7	Very high	52 Å²	52	53 Å²	53	20%	0.204	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-94.8	-15.9	176.5	-55	-69.8	0	0	0	112.7	P209 K212 Y213 L324 Q325 R329	P209-Y327 WeakPolarHBondContact CB-O 3.4Å; P209-Y327 WeakPolarHBondContact O-CD1 3.35Å; K212-Y327 HydrophobicContact CB-CD1 4.43Å; K212-Y327 HydrophobicContact CB-CE1 4.13Å; Y213-Y327 HydrophobicContact CD2-CD2 4.23Å; Y213-Y327 AromaticContact CD2-CE2 3.54Å; Y213-Y327 HydrophobicContact CD2-CE2 3.54Å; Y213-Y327 AromaticContact CD2-CZ 3.99Å; Y213-Y327 HydrophobicContact CE2-CE2 4.46Å; Y213-Y327 HydrophobicContact CG-CD2 4.05Å; Y213-Y327 AromaticContact CG-CE2 3.79Å; Y213-Y327 HydrophobicContact CG-CE2 3.79Å; L324-Y327 HydrophobicContact CD2-CD2 4.16Å; L324-Y327 HydrophobicContact CD2-CE2 3.97Å; L324-Y327 WeakPolarHBondContact O-CD2 3.12Å; L324-Y327 PolarHBondContact O-N 3.21Å; Q325-Y327 PolarHBondContact O-N 3.17Å; Y327-R329 PolarHBondContact O-N 2.95Å; Y327-R329 VanDerWaalsContact O-N 3.11Å
328	L	97.8	Very high	96.9	Very high	1 Å²	1	53 Å²	53	1%	0.005	25%	0.245	C	C	.	.			trans	-79.9	91.1	169.9	-78.1	-178.8	0	0	0	109.7	F169 L170 F201 F205 L210 Q325 F477	F169-L328 HydrophobicContact CD1-CD1 3.92Å; F169-L328 HydrophobicContact CD1-CD2 3.83Å; F169-L328 HydrophobicContact CD1-CG 4.15Å; F169-L328 HydrophobicContact CE1-CD1 4.21Å; F169-L328 HydrophobicContact CE1-CD2 3.39Å; F169-L328 HydrophobicContact CE1-CG 3.91Å; F169-L328 HydrophobicContact CZ-CD2 4.14Å; L170-L328 HydrophobicContact CD2-CD1 3.66Å; L170-L328 HydrophobicContact CD2-CG 4.13Å; L170-L328 HydrophobicContact CG-CD1 4.43Å; F201-L328 HydrophobicContact CZ-CD2 3.9Å; F205-L328 HydrophobicContact CB-CD2 4.43Å; F205-L328 HydrophobicContact CD1-CB 4.14Å; F205-L328 HydrophobicContact CD1-CD2 4.04Å; F205-L328 HydrophobicContact CD2-CD2 4.07Å; F205-L328 HydrophobicContact CE1-CB 4.06Å; F205-L328 HydrophobicContact CE1-CD2 4.31Å; F205-L328 HydrophobicContact CE2-CD2 4.32Å; F205-L328 HydrophobicContact CG-CD2 3.91Å; F205-L328 HydrophobicContact CZ-CD2 4.42Å; L210-L328 HydrophobicContact CD2-CD2 4.48Å; Q325-L328 PolarHBondContact O-N 3.31Å; L328-F477 HydrophobicContact CD1-CE2 4.09Å
329	R	98	Very high	97.2	Very high	63 Å²	63	53.9 Å²	53.9	24%	0.238	25%	0.249	C	C	.	.			trans	-105.6	126.1	176.3	-58.2	-57.1	-171.6	-178.1	5.9	110	F205 L206 P209 R326 Y327 Y485	F205-R329 CarbonylContact C-O 3.53Å; F205-R329 VanDerWaalsContact CA-O 3.27Å; F205-R329 WeakPolarHBondContact CA-O 3.47Å; L206-R329 HydrophobicContact CD1-CB 4.47Å; L206-R329 PolarHBondContact N-O 3.32Å; P209-R329 HydrophobicContact CB-CB 4.47Å; P209-R329 HydrophobicContact CB-CG 3.92Å; P209-R329 HydrophobicContact CG-CB 3.99Å; P209-R329 HydrophobicContact CG-CG 3.83Å; R326-R329 VanDerWaalsContact O-CZ 3.26Å; R326-R329 PolarHBondContact O-NE 2.8Å; R326-R329 PolarHBondContact O-NH2 3.05Å; Y327-R329 PolarHBondContact O-N 2.95Å; Y327-R329 VanDerWaalsContact O-N 3.11Å; R329-Y485 PolarHBondContact NH1-OH 3.04Å
330	W	98.4	Very high	97.5	Very high	9 Å²	9	50.4 Å²	50.4	3%	0.034	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-49.3	144.5	176.8	-64.6	111.2	0	0	0	112.5	F162 F204 F205 I334 R335 Q454 L457 C458 F477 E481	F162-W330 HydrophobicContact CE1-CH2 4.37Å; F162-W330 HydrophobicContact CZ-CH2 4.02Å; F162-W330 HydrophobicContact CZ-CZ3 4.39Å; F204-W330 HydrophobicContact CB-CZ3 4.48Å; F204-W330 CarbonylContact O-C 3.48Å; F204-W330 WeakPolarHBondContact O-CA 3.48Å; F205-W330 HydrophobicContact CD1-CE3 4.13Å; F205-W330 HydrophobicContact CD1-CZ3 4.48Å; F205-W330 AromaticContact CE1-CD2 3.98Å; F205-W330 HydrophobicContact CE1-CD2 3.98Å; F205-W330 AromaticContact CE1-CE3 3.61Å; F205-W330 HydrophobicContact CE1-CE3 3.61Å; F205-W330 HydrophobicContact CE1-CH2 4.09Å; F205-W330 HydrophobicContact CE1-CZ2 4.42Å; F205-W330 AromaticContact CE1-CZ3 3.65Å; F205-W330 HydrophobicContact CE1-CZ3 3.65Å; F205-W330 HydrophobicContact CE2-CZ3 4.35Å; F205-W330 HydrophobicContact CZ-CE3 4.04Å; F205-W330 AromaticContact CZ-CH2 3.91Å; F205-W330 HydrophobicContact CZ-CH2 3.91Å; F205-W330 AromaticContact CZ-CZ3 3.58Å; F205-W330 HydrophobicContact CZ-CZ3 3.58Å; W330-I334 HydrophobicContact CB-CB 4.34Å; W330-I334 HydrophobicContact CB-CG2 4.09Å; W330-I334 HydrophobicContact CD2-CG2 3.92Å; W330-I334 HydrophobicContact CE3-CB 4.42Å; W330-I334 HydrophobicContact CE3-CD1 3.73Å; W330-I334 HydrophobicContact CE3-CG2 3.8Å; W330-I334 HydrophobicContact CG-CG2 4.07Å; W330-I334 HydrophobicContact CZ3-CD1 4.06Å; W330-R335 PolarHBondContact O-NH2 3.36Å; W330-Q454 HydrophobicContact CE3-CB 4.48Å; W330-Q454 HydrophobicContact CH2-CB 3.92Å; W330-Q454 HydrophobicContact CH2-CG 4.11Å; W330-Q454 HydrophobicContact CZ3-CB 3.63Å; W330-Q454 HydrophobicContact CZ3-CG 3.79Å; W330-L457 HydrophobicContact CH2-CB 4.09Å; W330-L457 HydrophobicContact CH2-CD1 4.26Å; W330-L457 HydrophobicContact CZ2-CB 3.68Å; W330-C458 HydrophobicContact CD2-CB 4.44Å; W330-C458 HydrophobicContact CG-CB 4.36Å; W330-F477 AromaticContact CH2-CE1 3.82Å; W330-F477 HydrophobicContact CH2-CE1 3.82Å; W330-F477 AromaticContact CH2-CZ 3.96Å; W330-F477 HydrophobicContact CH2-CZ 3.96Å; W330-F477 HydrophobicContact CZ2-CD1 4.15Å; W330-F477 AromaticContact CZ2-CE1 3.26Å; W330-F477 HydrophobicContact CZ2-CE1 3.26Å; W330-F477 AromaticContact CZ2-CZ 3.75Å; W330-F477 HydrophobicContact CZ2-CZ 3.75Å; W330-E481 PolarHBondContact NE1-OE1 3.38Å; W330-E481 PolarHBondContact NE1-OE2 3.37Å
331	S	98.3	Very high	97.7	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.014	22%	0.217	C	C	.	.			trans	-57.7	164.8	171.5	61.6	0	0	0	0	111.7	R203 F204 E333 R335	R203-S331 PolarHBondContact O-OG 3.39Å; F204-S331 PolarHBondContact O-N 3.18Å; S331-E333 VanDerWaalsContact C-N 3.26Å; S331-E333 WeakPolarHBondContact CB-OE2 3.4Å; S331-E333 PolarHBondContact O-N 3.08Å; S331-E333 PolarHBondContact OG-OE2 3.34Å; S331-R335 VanDerWaalsContact O-CB 3.3Å; S331-R335 WeakPolarHBondContact O-CB 3.43Å; S331-R335 PolarHBondContact O-N 2.63Å
332	I	98.3	Very high	97.9	Very high	93 Å²	93	46.1 Å²	46.1	48%	0.477	22%	0.217	S	C	.	.	H	α-helix	trans	-61.5	-42.3	-179	-68.2	167.2	0	0	0	109.7	L206 R335 Q336	L206-I332 HydrophobicContact CD2-CG1 4.44Å; I332-R335 PolarHBondContact O-N 2.86Å; I332-Q336 VanDerWaalsContact O-CB 3.31Å; I332-Q336 WeakPolarHBondContact O-CB 3.44Å; I332-Q336 PolarHBondContact O-N 2.91Å
333	E	97.2	Very high	98.1	Very high	98 Å²	98	50.2 Å²	50.2	46%	0.458	23%	0.231	S	C	.	.	H	α-helix	trans	-64.4	-44.9	-176.2	-60.1	70.4	-152.6	0	0	111.7	S331 Q337	S331-E333 VanDerWaalsContact C-N 3.26Å; S331-E333 WeakPolarHBondContact CB-OE2 3.4Å; S331-E333 PolarHBondContact O-N 3.08Å; S331-E333 PolarHBondContact OG-OE2 3.34Å; E333-Q337 WeakPolarHBondContact O-CG 3.32Å; E333-Q337 PolarHBondContact O-N 3.37Å; E333-Q337 VanDerWaalsContact O-N 3.09Å; E333-Q337 PolarHBondContact O-NE2 2.85Å
334	I	97.9	Very high	98.2	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-67.9	-44	177.5	-69.8	173.7	0	0	0	110.2	F204 W330 Q336 Q337 C338 Q454 I455 C458	F204-I334 HydrophobicContact CB-CD1 4.16Å; F204-I334 HydrophobicContact CD1-CD1 3.81Å; F204-I334 HydrophobicContact CG-CD1 4.34Å; W330-I334 HydrophobicContact CB-CB 4.34Å; W330-I334 HydrophobicContact CB-CG2 4.09Å; W330-I334 HydrophobicContact CD2-CG2 3.92Å; W330-I334 HydrophobicContact CE3-CB 4.42Å; W330-I334 HydrophobicContact CE3-CD1 3.73Å; W330-I334 HydrophobicContact CE3-CG2 3.8Å; W330-I334 HydrophobicContact CG-CG2 4.07Å; W330-I334 HydrophobicContact CZ3-CD1 4.06Å; I334-Q336 VanDerWaalsContact C-N 3.28Å; I334-Q336 PolarHBondContact O-N 3.32Å; I334-Q337 PolarHBondContact O-N 3.04Å; I334-C338 WeakPolarHBondContact O-CB 3.12Å; I334-C338 PolarHBondContact O-N 3.41Å; I334-Q454 HydrophobicContact CD1-CB 3.83Å; I334-Q454 HydrophobicContact CD1-CG 4.45Å; I334-I455 HydrophobicContact CG2-CG1 4.34Å; I334-C458 HydrophobicContact CG2-CB 4.12Å
335	R	98	Very high	98.2	Very high	91 Å²	91	56.1 Å²	56.1	34%	0.343	25%	0.25	S	S	.	.	H	α-helix	trans	-62.7	-38.2	-179.8	-166.7	-170.4	-46.1	120.1	8.9	111.7	L206 W330 S331 I332 T339	L206-R335 VanDerWaalsContact CD1-NH2 3.33Å; W330-R335 PolarHBondContact O-NH2 3.36Å; S331-R335 VanDerWaalsContact O-CB 3.3Å; S331-R335 WeakPolarHBondContact O-CB 3.43Å; S331-R335 PolarHBondContact O-N 2.63Å; I332-R335 PolarHBondContact O-N 2.86Å; R335-T339 VanDerWaalsContact O-CB 3.32Å; R335-T339 WeakPolarHBondContact O-CB 2.97Å; R335-T339 PolarHBondContact O-N 2.84Å; R335-T339 PolarHBondContact O-OG1 3.44Å
336	Q	98.4	Very high	98.2	Very high	115 Å²	115	56.1 Å²	56.1	54%	0.537	25%	0.25	S	C	.	.	H	α-helix	trans	-65.6	-53.4	176.4	-177.4	171.2	-5.1	0	0	110.5	I332 I334 C338 T339 D340	I332-Q336 VanDerWaalsContact O-CB 3.31Å; I332-Q336 WeakPolarHBondContact O-CB 3.44Å; I332-Q336 PolarHBondContact O-N 2.91Å; I334-Q336 VanDerWaalsContact C-N 3.28Å; I334-Q336 PolarHBondContact O-N 3.32Å; Q336-C338 VanDerWaalsContact C-N 3.29Å; Q336-C338 PolarHBondContact O-N 2Å; Q336-T339 PolarHBondContact O-N 3.33Å; Q336-T339 VanDerWaalsContact O-N 3.09Å; Q336-D340 WeakPolarHBondContact CG-OD2 3.39Å; Q336-D340 WeakPolarHBondContact O-CB 3.31Å; Q336-D340 VanDerWaalsContact O-CG 3.24Å; Q336-D340 PolarHBondContact O-N 3.23Å
337	Q	98.4	Very high	98.1	Very high	71 Å²	71	54.7 Å²	54.7	33%	0.332	25%	0.25	S	C	.	.	H	α-helix	trans	-59.1	-39.9	178.3	-72.9	178.4	76.8	0	0	113.1	E333 I334 D340 F341 I455	E333-Q337 WeakPolarHBondContact O-CG 3.32Å; E333-Q337 PolarHBondContact O-N 3.37Å; E333-Q337 VanDerWaalsContact O-N 3.09Å; E333-Q337 PolarHBondContact O-NE2 2.85Å; I334-Q337 PolarHBondContact O-N 3.04Å; Q337-D340 PolarHBondContact O-N 3.41Å; Q337-F341 WeakPolarHBondContact O-CB 3.33Å; Q337-F341 PolarHBondContact O-N 3.26Å; Q337-I455 HydrophobicContact CB-CD1 3.88Å; Q337-I455 HydrophobicContact CB-CG1 4.29Å; Q337-I455 HydrophobicContact CB-CG2 4.46Å; Q337-I455 HydrophobicContact CG-CD1 4.35Å
338	C	98.2	Very high	98.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.2	-46.3	174.5	172.4	0	0	0	0	112.1	I334 Q336 I342 I455 C458 I459 K462	I334-C338 WeakPolarHBondContact O-CB 3.12Å; I334-C338 PolarHBondContact O-N 3.41Å; Q336-C338 VanDerWaalsContact C-N 3.29Å; Q336-C338 PolarHBondContact O-N 2Å; C338-I342 VanDerWaalsContact O-CG1 3.3Å; C338-I342 WeakPolarHBondContact O-CG1 3.06Å; C338-I342 PolarHBondContact O-N 3.36Å; C338-I342 VanDerWaalsContact O-N 3.12Å; C338-I455 HydrophobicContact CB-CG2 4.48Å; C338-C458 HydrophobicContact CB-CB 3.68Å; C338-C458 WeakPolarHBondContact CB-SG 3.44Å; C338-C458 WeakPolarHBondContact SG-CB 3.4Å; C338-C458 PolarHBondContact SG-O 3.07Å; C338-C458 CovalentContact SG-SG 2.05Å; C338-C458 PolarHBondContact SG-SG 2.93Å; C338-I459 HydrophobicContact CB-CG1 4.44Å; C338-I459 PolarHBondContact SG-N 2.93Å; C338-K462 VanDerWaalsContact SG-CE 3.6Å
339	T	98.2	Very high	98.1	Very high	46 Å²	46	61.4 Å²	61.4	28%	0.282	28%	0.282	S	S	.	.	H	α-helix	trans	-65.3	-43.3	176.2	-57.1	0	0	0	0	111.7	R335 Q336 I342 R343	R335-T339 VanDerWaalsContact O-CB 3.32Å; R335-T339 WeakPolarHBondContact O-CB 2.97Å; R335-T339 PolarHBondContact O-N 2.84Å; R335-T339 PolarHBondContact O-OG1 3.44Å; Q336-T339 PolarHBondContact O-N 3.33Å; Q336-T339 VanDerWaalsContact O-N 3.09Å; T339-I342 PolarHBondContact O-N 3.12Å; T339-R343 WeakPolarHBondContact O-CB 3.4Å; T339-R343 PolarHBondContact O-N 3.06Å
340	D	98.5	Very high	98.1	Very high	44 Å²	44	62.3 Å²	62.3	24%	0.235	30%	0.296	C	S	.	.	H	α-helix	trans	-66.6	-39.8	-178.7	-68.7	-18.9	0	0	0	111.2	Q336 Q337 R343 Q344	Q336-D340 WeakPolarHBondContact CG-OD2 3.39Å; Q336-D340 WeakPolarHBondContact O-CB 3.31Å; Q336-D340 VanDerWaalsContact O-CG 3.24Å; Q336-D340 PolarHBondContact O-N 3.23Å; Q337-D340 PolarHBondContact O-N 3.41Å; D340-R343 PolarHBondContact O-N 3.5Å; D340-R343 IonicContact OD1-NH1 3.51Å; D340-R343 PolarHBondContact OD1-NH1 2.91Å; D340-Q344 VanDerWaalsContact O-CB 3.26Å; D340-Q344 WeakPolarHBondContact O-CB 3.42Å; D340-Q344 VanDerWaalsContact O-CG 3.24Å; D340-Q344 WeakPolarHBondContact O-CG 3.39Å; D340-Q344 PolarHBondContact O-N 3.45Å
341	F	98.7	Very high	98.1	Very high	22 Å²	22	62.1 Å²	62.1	10%	0.096	30%	0.296	C	S	.	.	H	α-helix	trans	-61.5	-46.5	172.2	-176	-85	0	0	0	111.9	Q337 R343 Q344 E345 L346 F420 K446 R448 I459	Q337-F341 WeakPolarHBondContact O-CB 3.33Å; Q337-F341 PolarHBondContact O-N 3.26Å; F341-R343 VanDerWaalsContact C-N 3.3Å; F341-R343 PolarHBondContact O-N 3.35Å; F341-Q344 PolarHBondContact O-N 2.73Å; F341-E345 HydrophobicContact CD1-CB 4.25Å; F341-E345 HydrophobicContact CD2-CB 4.13Å; F341-E345 HydrophobicContact CD2-CG 3.71Å; F341-E345 HydrophobicContact CE1-CB 4.04Å; F341-E345 HydrophobicContact CE2-CB 3.92Å; F341-E345 HydrophobicContact CE2-CG 3.65Å; F341-E345 HydrophobicContact CG-CB 4.29Å; F341-E345 HydrophobicContact CG-CG 4.25Å; F341-E345 HydrophobicContact CZ-CB 3.87Å; F341-E345 HydrophobicContact CZ-CG 4.14Å; F341-E345 WeakPolarHBondContact O-CA 3.34Å; F341-E345 VanDerWaalsContact O-CB 3.28Å; F341-E345 WeakPolarHBondContact O-CB 3.3Å; F341-E345 PolarHBondContact O-N 2.79Å; F341-L346 HydrophobicContact CD1-CD1 4.39Å; F341-L346 HydrophobicContact CD1-CG 4.23Å; F341-L346 HydrophobicContact CE1-CD1 4.19Å; F341-L346 HydrophobicContact CE1-CD2 3.96Å; F341-L346 HydrophobicContact CE1-CG 3.95Å; F341-L346 PolarHBondContact O-N 3.29Å; F341-F420 HydrophobicContact CD1-CE2 4.44Å; F341-F420 AromaticContact CE1-CD2 3.55Å; F341-F420 HydrophobicContact CE1-CD2 3.55Å; F341-F420 AromaticContact CE1-CE2 3.53Å; F341-F420 HydrophobicContact CE1-CE2 3.53Å; F341-F420 AromaticContact CZ-CD2 3.91Å; F341-F420 HydrophobicContact CZ-CD2 3.91Å; F341-F420 AromaticContact CZ-CE2 3.68Å; F341-F420 HydrophobicContact CZ-CE2 3.68Å; F341-K446 HydrophobicContact CZ-CB 4.34Å; F341-R448 HydrophobicContact CE2-CB 4.35Å; F341-R448 HydrophobicContact CE2-CG 4.3Å; F341-I459 HydrophobicContact CB-CD1 4.11Å; F341-I459 HydrophobicContact CD1-CD1 3.44Å; F341-I459 VanDerWaalsContact CD1-CD1 3.44Å; F341-I459 HydrophobicContact CD1-CG1 4.16Å; F341-I459 HydrophobicContact CD1-CG2 4.5Å; F341-I459 HydrophobicContact CE1-CD1 3.96Å; F341-I459 HydrophobicContact CG-CD1 3.76Å
342	I	98.5	Very high	98.1	Very high	19 Å²	19	62 Å²	62	10%	0.097	30%	0.295	C	S	.	.	H	α-helix	trans	-60.9	-42.5	178.2	-69.2	166.7	0	0	0	110.7	C338 T339 L346 M347 D348 F351 I459 K462	C338-I342 VanDerWaalsContact O-CG1 3.3Å; C338-I342 WeakPolarHBondContact O-CG1 3.06Å; C338-I342 PolarHBondContact O-N 3.36Å; C338-I342 VanDerWaalsContact O-N 3.12Å; T339-I342 PolarHBondContact O-N 3.12Å; I342-L346 HydrophobicContact CG1-CD1 4.13Å; I342-L346 CarbonylContact O-C 3.24Å; I342-L346 VanDerWaalsContact O-C 3.27Å; I342-L346 WeakPolarHBondContact O-CA 3.49Å; I342-L346 VanDerWaalsContact O-CB 3.28Å; I342-L346 WeakPolarHBondContact O-CB 3.23Å; I342-L346 PolarHBondContact O-N 2.91Å; I342-M347 PolarHBondContact O-N 3.05Å; I342-M347 VanDerWaalsContact O-N 3.07Å; I342-D348 PolarHBondContact O-N 2.68Å; I342-F351 HydrophobicContact CD1-CE1 4.28Å; I342-F351 HydrophobicContact CD1-CZ 4.27Å; I342-F351 HydrophobicContact CG1-CE1 4.24Å; I342-F351 HydrophobicContact CG1-CZ 4.32Å; I342-F351 HydrophobicContact CG2-CE1 4.4Å; I342-I459 HydrophobicContact CG1-CG1 4.49Å; I342-I459 HydrophobicContact CG1-CG2 4.33Å; I342-K462 HydrophobicContact CD1-CB 3.75Å; I342-K462 HydrophobicContact CD1-CD 3.41Å; I342-K462 VanDerWaalsContact CD1-CD 3.41Å; I342-K462 HydrophobicContact CD1-CG 4.23Å
343	R	98.2	Very high	98.1	Very high	118 Å²	118	57.6 Å²	57.6	45%	0.445	27%	0.272	S	S	.	.	H	α-helix	trans	-65.3	-51	177.7	-177.6	-179.6	-55.8	116.4	-0.4	112.4	T339 D340 F341 M347 D348	T339-R343 WeakPolarHBondContact O-CB 3.4Å; T339-R343 PolarHBondContact O-N 3.06Å; D340-R343 PolarHBondContact O-N 3.5Å; D340-R343 IonicContact OD1-NH1 3.51Å; D340-R343 PolarHBondContact OD1-NH1 2.91Å; F341-R343 VanDerWaalsContact C-N 3.3Å; F341-R343 PolarHBondContact O-N 3.35Å; R343-M347 VanDerWaalsContact O-CA 3.23Å; R343-M347 WeakPolarHBondContact O-CA 3.31Å; R343-M347 PolarHBondContact O-N 2.63Å; R343-D348 WeakPolarHBondContact CA-OD1 2.83Å; R343-D348 WeakPolarHBondContact CG-OD2 3.17Å
344	Q	97.9	Very high	98.2	Very high	135 Å²	135	53 Å²	53	63%	0.631	25%	0.25	S	S	*	.	H	α-helix	trans	-81.5	-45.1	-170.1	-65.8	171.5	1.4	0	0	112.3	D340 F341	D340-Q344 VanDerWaalsContact O-CB 3.26Å; D340-Q344 WeakPolarHBondContact O-CB 3.42Å; D340-Q344 VanDerWaalsContact O-CG 3.24Å; D340-Q344 WeakPolarHBondContact O-CG 3.39Å; D340-Q344 PolarHBondContact O-N 3.45Å; F341-Q344 PolarHBondContact O-N 2.73Å
345	E	97.9	Very high	98.2	Very high	69 Å²	69	53 Å²	53	32%	0.322	25%	0.25	S	S	.	.	H	α-helix	trans	-94.6	-31.4	-172.5	-61.4	-62.2	149	0	0	112.9	F341 K446	F341-E345 HydrophobicContact CD1-CB 4.25Å; F341-E345 HydrophobicContact CD2-CB 4.13Å; F341-E345 HydrophobicContact CD2-CG 3.71Å; F341-E345 HydrophobicContact CE1-CB 4.04Å; F341-E345 HydrophobicContact CE2-CB 3.92Å; F341-E345 HydrophobicContact CE2-CG 3.65Å; F341-E345 HydrophobicContact CG-CB 4.29Å; F341-E345 HydrophobicContact CG-CG 4.25Å; F341-E345 HydrophobicContact CZ-CB 3.87Å; F341-E345 HydrophobicContact CZ-CG 4.14Å; F341-E345 WeakPolarHBondContact O-CA 3.34Å; F341-E345 VanDerWaalsContact O-CB 3.28Å; F341-E345 WeakPolarHBondContact O-CB 3.3Å; F341-E345 PolarHBondContact O-N 2.79Å; E345-K446 HydrophobicContact CB-CD 4.44Å; E345-K446 HydrophobicContact CB-CG 4.48Å; E345-K446 WeakPolarHBondContact OE2-CE 3.32Å; E345-K446 IonicContact OE2-NZ 3.05Å; E345-K446 PolarHBondContact OE2-NZ 3.18Å
346	L	98.2	Very high	98.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-104.3	-2.3	-179.9	-47	-174.1	0	0	0	113	F341 I342 D348 R349 F351 V418 F420 K446 I459	F341-L346 HydrophobicContact CD1-CD1 4.39Å; F341-L346 HydrophobicContact CD1-CG 4.23Å; F341-L346 HydrophobicContact CE1-CD1 4.19Å; F341-L346 HydrophobicContact CE1-CD2 3.96Å; F341-L346 HydrophobicContact CE1-CG 3.95Å; F341-L346 PolarHBondContact O-N 3.29Å; I342-L346 HydrophobicContact CG1-CD1 4.13Å; I342-L346 CarbonylContact O-C 3.24Å; I342-L346 VanDerWaalsContact O-C 3.27Å; I342-L346 WeakPolarHBondContact O-CA 3.49Å; I342-L346 VanDerWaalsContact O-CB 3.28Å; I342-L346 WeakPolarHBondContact O-CB 3.23Å; I342-L346 PolarHBondContact O-N 2.91Å; L346-D348 PolarHBondContact O-N 2.98Å; L346-R349 PolarHBondContact O-N 3.41Å; L346-R349 VanDerWaalsContact O-N 3.15Å; L346-F351 HydrophobicContact CD1-CB 4.45Å; L346-F351 HydrophobicContact CD1-CD1 3.78Å; L346-F351 HydrophobicContact CD1-CD2 3.86Å; L346-F351 HydrophobicContact CD1-CE1 3.84Å; L346-F351 HydrophobicContact CD1-CE2 3.9Å; L346-F351 HydrophobicContact CD1-CG 3.78Å; L346-F351 HydrophobicContact CD1-CZ 3.89Å; L346-V418 HydrophobicContact CB-CG1 4.04Å; L346-V418 HydrophobicContact CD2-CG1 3.74Å; L346-V418 HydrophobicContact CG-CG1 4.35Å; L346-F420 HydrophobicContact CD1-CB 4.29Å; L346-K446 HydrophobicContact CD2-CB 3.77Å; L346-K446 HydrophobicContact CD2-CG 3.94Å; L346-I459 HydrophobicContact CD1-CG2 4.29Å
347	M	97.2	Very high	97.9	Very high	98 Å²	98	44.6 Å²	44.6	48%	0.483	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	31.2	178.6	-57.6	167.5	-80.7	0	0	113.7	I342 R343 R349 V444	I342-M347 PolarHBondContact O-N 3.05Å; I342-M347 VanDerWaalsContact O-N 3.07Å; R343-M347 VanDerWaalsContact O-CA 3.23Å; R343-M347 WeakPolarHBondContact O-CA 3.31Å; R343-M347 PolarHBondContact O-N 2.63Å; M347-R349 HydrophobicContact CB-CG 4.19Å; M347-R349 VanDerWaalsContact CE-NH2 3.28Å; M347-R349 WeakPolarHBondContact O-CG 3.33Å; M347-R349 PolarHBondContact O-N 2.77Å; M347-V444 HydrophobicContact CE-CB 4.37Å; M347-V444 HydrophobicContact CE-CG1 4.26Å; M347-V444 HydrophobicContact CE-CG2 3.75Å
348	D	97.1	Very high	97.6	Very high	97 Å²	97	43.4 Å²	43.4	52%	0.519	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	18	-173.3	-72.7	-42.2	0	0	0	114.2	I342 R343 L346	I342-D348 PolarHBondContact O-N 2.68Å; R343-D348 WeakPolarHBondContact CA-OD1 2.83Å; R343-D348 WeakPolarHBondContact CG-OD2 3.17Å; L346-D348 PolarHBondContact O-N 2.98Å
349	R	97.8	Very high	97	Very high	97 Å²	97	43.8 Å²	43.8	37%	0.366	21%	0.212	S	C	.	.			trans	-83.3	147.1	-179.8	-63.9	-164.6	-61.3	169.5	0.3	110.9	L346 M347 F351 V418 V444	L346-R349 PolarHBondContact O-N 3.41Å; L346-R349 VanDerWaalsContact O-N 3.15Å; M347-R349 HydrophobicContact CB-CG 4.19Å; M347-R349 VanDerWaalsContact CE-NH2 3.28Å; M347-R349 WeakPolarHBondContact O-CG 3.33Å; M347-R349 PolarHBondContact O-N 2.77Å; R349-F351 WeakPolarHBondContact O-CD1 3.41Å; R349-F351 PolarHBondContact O-N 3.05Å; R349-V418 HydrophobicContact CB-CG2 3.9Å; R349-V418 VanDerWaalsContact NH2-CG2 3.34Å; R349-V444 VanDerWaalsContact NH2-CG2 3.28Å
350	P	98	Very high	96.4	Very high	82 Å²	82	47.6 Å²	47.6	53%	0.532	23%	0.23	S	C	.	.			trans	-49.3	130.5	167	-29.1	37.1	0	0	0	111.4	L416 S464	P350-L416 HydrophobicContact CB-CD2 3.62Å; P350-S464 WeakPolarHBondContact CA-OG 3.49Å; P350-S464 VanDerWaalsContact CB-OG 3.31Å; P350-S464 WeakPolarHBondContact CB-OG 3.41Å
351	F	98.6	Very high	95.8	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.026	24%	0.237	C	C	.	.			trans	-136.1	151.7	-174	67.5	-84.1	0	0	0	112.5	I342 L346 R349 V418 F420 I459 K462 A463 S464	I342-F351 HydrophobicContact CD1-CE1 4.28Å; I342-F351 HydrophobicContact CD1-CZ 4.27Å; I342-F351 HydrophobicContact CG1-CE1 4.24Å; I342-F351 HydrophobicContact CG1-CZ 4.32Å; I342-F351 HydrophobicContact CG2-CE1 4.4Å; L346-F351 HydrophobicContact CD1-CB 4.45Å; L346-F351 HydrophobicContact CD1-CD1 3.78Å; L346-F351 HydrophobicContact CD1-CD2 3.86Å; L346-F351 HydrophobicContact CD1-CE1 3.84Å; L346-F351 HydrophobicContact CD1-CE2 3.9Å; L346-F351 HydrophobicContact CD1-CG 3.78Å; L346-F351 HydrophobicContact CD1-CZ 3.89Å; R349-F351 WeakPolarHBondContact O-CD1 3.41Å; R349-F351 PolarHBondContact O-N 3.05Å; F351-V418 CarbonylContact C-O 3.53Å; F351-V418 VanDerWaalsContact CA-O 3.32Å; F351-V418 WeakPolarHBondContact CA-O 3.28Å; F351-V418 HydrophobicContact CB-CB 3.61Å; F351-V418 HydrophobicContact CB-CG1 3.64Å; F351-V418 WeakPolarHBondContact CB-O 3.42Å; F351-F420 HydrophobicContact CD2-CB 3.77Å; F351-F420 HydrophobicContact CE2-CB 3.97Å; F351-I459 HydrophobicContact CE2-CG2 3.78Å; F351-I459 HydrophobicContact CZ-CG2 3.8Å; F351-I459 VanDerWaalsContact CZ-O 3.28Å; F351-I459 WeakPolarHBondContact CZ-O 3.44Å; F351-K462 HydrophobicContact CZ-CB 4.43Å; F351-A463 HydrophobicContact CD2-CB 3.84Å; F351-A463 HydrophobicContact CE2-CB 3.46Å; F351-A463 VanDerWaalsContact CE2-CB 3.46Å; F351-A463 VanDerWaalsContact CZ-CA 3.46Å; F351-A463 HydrophobicContact CZ-CB 3.92Å; F351-S464 PolarHBondContact N-OG 3.45Å; F351-S464 PolarHBondContact O-N 3.33Å
352	L	98.7	Very high	95.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	119.8	166.9	177.8	60	0	0	0	107.7	I354 V407 T410 M411 L416 V418 L419 F420 L465 I467	L352-I354 HydrophobicContact CD1-CG2 4.38Å; L352-I354 HydrophobicContact CD2-CG2 4.27Å; L352-I354 HydrophobicContact CG-CG2 3.94Å; L352-V407 HydrophobicContact CD2-CG1 4.26Å; L352-T410 HydrophobicContact CD1-CG2 3.97Å; L352-T410 HydrophobicContact CD2-CG2 4Å; L352-M411 HydrophobicContact CD2-CG 3.62Å; L352-M411 HydrophobicContact CD2-SD 4.4Å; L352-L416 HydrophobicContact CB-CD1 3.93Å; L352-V418 PolarHBondContact N-O 3.17Å; L352-L419 HydrophobicContact CB-CD1 4.21Å; L352-L419 HydrophobicContact CD2-CD1 4.06Å; L352-L419 HydrophobicContact CG-CD1 4.02Å; L352-L419 CarbonylContact O-C 3.6Å; L352-L419 WeakPolarHBondContact O-CA 3.14Å; L352-F420 PolarHBondContact O-N 3.34Å; L352-L465 HydrophobicContact CD1-CB 4Å; L352-L465 HydrophobicContact CD1-CD2 4.21Å; L352-L465 HydrophobicContact CD1-CG 4.01Å; L352-I467 HydrophobicContact CD1-CD1 4.19Å; L352-I467 HydrophobicContact CD1-CG1 4.1Å; L352-I467 HydrophobicContact CD2-CD1 4.43Å
353	G	98.8	Very high	95	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	136.8	170.5	0	0	0	0	0	109.8	F420 L465 Y466 I467	G353-F420 CarbonylContact C-O 3.59Å; G353-F420 WeakPolarHBondContact CA-O 3.16Å; G353-L465 PolarHBondContact N-O 3.19Å; G353-Y466 CarbonylContact O-C 3.58Å; G353-Y466 VanDerWaalsContact O-CA 3.25Å; G353-Y466 WeakPolarHBondContact O-CA 3.22Å; G353-Y466 WeakPolarHBondContact O-CD2 3.03Å; G353-I467 PolarHBondContact O-N 2.95Å
354	I	98.8	Very high	94.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	145.7	175	70.7	168.9	0	0	0	111.6	L352 L356 V407 L419 F420 V421 A422 F432 I467 W492	L352-I354 HydrophobicContact CD1-CG2 4.38Å; L352-I354 HydrophobicContact CD2-CG2 4.27Å; L352-I354 HydrophobicContact CG-CG2 3.94Å; I354-L356 HydrophobicContact CD1-CD2 3.97Å; I354-L356 HydrophobicContact CD1-CG 4.45Å; I354-V407 HydrophobicContact CD1-CG2 4.04Å; I354-V407 HydrophobicContact CG2-CG2 4.28Å; I354-L419 HydrophobicContact CD1-CD1 4.1Å; I354-L419 HydrophobicContact CG1-CD1 4.05Å; I354-L419 HydrophobicContact CG2-CD1 3.86Å; I354-F420 PolarHBondContact N-O 2.87Å; I354-V421 HydrophobicContact CD1-CB 4.43Å; I354-V421 HydrophobicContact CD1-CG1 4.01Å; I354-V421 HydrophobicContact CD1-CG2 3.94Å; I354-V421 HydrophobicContact CG1-CB 4.15Å; I354-V421 HydrophobicContact CG1-CG1 3.93Å; I354-V421 HydrophobicContact CG1-CG2 3.99Å; I354-A422 PolarHBondContact O-N 3.42Å; I354-F432 HydrophobicContact CD1-CE1 4.21Å; I354-F432 HydrophobicContact CD1-CE2 3.69Å; I354-F432 HydrophobicContact CD1-CZ 3.38Å; I354-I467 CarbonylContact C-O 3.59Å; I354-I467 VanDerWaalsContact CA-O 3.32Å; I354-I467 WeakPolarHBondContact CA-O 2.84Å; I354-I467 HydrophobicContact CG2-CB 4.09Å; I354-I467 HydrophobicContact CG2-CD1 4.34Å; I354-I467 HydrophobicContact CG2-CG1 4.4Å; I354-W492 HydrophobicContact CB-CH2 3.87Å; I354-W492 HydrophobicContact CB-CZ2 3.79Å; I354-W492 HydrophobicContact CD1-CH2 4.04Å; I354-W492 HydrophobicContact CD1-CZ2 4.28Å; I354-W492 HydrophobicContact CG1-CZ2 4.5Å; I354-W492 HydrophobicContact CG2-CH2 3.89Å; I354-W492 HydrophobicContact CG2-CZ2 4.29Å
355	H	98.4	Very high	94.2	Very high	2 Å²	2	46 Å²	46	1%	0.009	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	114.7	171.7	172.7	-127.7	0	0	0	110.4	A422 L460 Y466 I467 S472 F474 S475 W492	H355-A422 WeakPolarHBondContact CA-O 3.46Å; H355-L460 HydrophobicContact CB-CD1 4.09Å; H355-Y466 HydrophobicContact CB-CE2 3.92Å; H355-I467 PolarHBondContact N-O 2.97Å; H355-S472 PolarHBondContact CE1-OG 2.96Å; H355-F474 AromaticContact CD2-CD1 3.83Å; H355-F474 AromaticContact CD2-CE1 3.9Å; H355-F474 AromaticContact CE1-CD1 3.41Å; H355-F474 VanDerWaalsContact CE1-CD1 3.41Å; H355-F474 WeakPolarHBondContact CE1-CD1 3.31Å; H355-F474 AromaticContact CG-CD1 3.9Å; H355-F474 AromaticContact ND1-CD1 3.65Å; H355-F474 AromaticContact NE2-CD1 3.56Å; H355-F474 AromaticContact NE2-CE1 3.99Å; H355-S475 PolarHBondContact ND1-OG 3.07Å; H355-W492 PolarHBondContact O-NE1 2.97Å
356	L	96.9	Very high	94	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.016	23%	0.225	C	C	.	.			trans	-79.8	-32.1	-169.6	-67.2	176.3	0	0	0	114.5	I354 I403 V421 A422 D426 M428 F432 W492	I354-L356 HydrophobicContact CD1-CD2 3.97Å; I354-L356 HydrophobicContact CD1-CG 4.45Å; L356-I403 HydrophobicContact CD2-CD1 4.13Å; L356-I403 HydrophobicContact CD2-CG1 4.44Å; L356-I403 HydrophobicContact CD2-CG2 3.72Å; L356-V421 HydrophobicContact CD1-CG1 3.77Å; L356-V421 HydrophobicContact CG-CG1 4.11Å; L356-A422 PolarHBondContact N-O 3.29Å; L356-D426 WeakPolarHBondContact CD1-O 3.49Å; L356-M428 HydrophobicContact CD1-CB 4.28Å; L356-M428 HydrophobicContact CD1-CG 3.94Å; L356-M428 HydrophobicContact CD1-SD 3.81Å; L356-M428 HydrophobicContact CD2-SD 4.23Å; L356-F432 HydrophobicContact CD1-CE2 4.46Å; L356-F432 HydrophobicContact CD2-CZ 4.29Å; L356-W492 HydrophobicContact CD2-CH2 4.49Å; L356-W492 HydrophobicContact CD2-CZ2 3.95Å
357	R	93	Very high	93.5	Very high	28 Å²	28	47.1 Å²	47.1	11%	0.106	25%	0.251	C	S	.	.			trans	44	66.4	-171.9	-166.7	69	178.3	173.2	9.7	113.2	N359 W362 E424 N469	R357-N359 PolarHBondContact NE-OD1 3.22Å; R357-W362 HydrophobicContact CG-CD2 3.66Å; R357-W362 VanDerWaalsContact CG-CE2 3.41Å; R357-W362 HydrophobicContact CG-CE3 4.06Å; R357-W362 HydrophobicContact CG-CG 4.19Å; R357-W362 HydrophobicContact CG-CH2 4.01Å; R357-W362 HydrophobicContact CG-CZ2 3.59Å; R357-W362 HydrophobicContact CG-CZ3 4.24Å; R357-W362 VanDerWaalsContact NE-CE3 3.33Å; R357-W362 VanDerWaalsContact O-CD1 3.25Å; R357-E424 IonicContact CZ-OE1 2.76Å; R357-E424 IonicContact NH1-OE1 3.98Å; R357-E424 PolarHBondContact NH1-OE1 2.85Å; R357-N469 HydrophobicContact CB-CB 3.67Å; R357-N469 HydrophobicContact CG-CB 4.4Å
358	N	91.4	Very high	92.9	Very high	46 Å²	46	49.5 Å²	49.5	25%	0.246	27%	0.266	C	S	.	.			trans	-123.6	33.5	-177	65	1.2	0	0	0	113.1	S423 D426	N358-S423 PolarHBondContact OD1-OG 2.83Å; N358-D426 PolarHBondContact ND2-O 2.64Å; N358-D426 PolarHBondContact OD1-O 3.12Å
359	N	86.8	Confident	92.5	Very high	7 Å²	7	46.5 Å²	46.5	4%	0.037	25%	0.25	C	C	.	.			trans	-61.4	151.7	175	50.8	-62	0	0	0	111.8	R357 D361 W362 P363	R357-N359 PolarHBondContact NE-OD1 3.22Å; N359-D361 PolarHBondContact ND2-OD1 3.09Å; N359-D361 PolarHBondContact ND2-OD2 3.08Å; N359-D361 PolarHBondContact O-N 3.23Å; N359-D361 VanDerWaalsContact O-N 3.13Å; N359-W362 WeakPolarHBondContact O-CB 3.49Å; N359-W362 PolarHBondContact O-N 3Å; N359-W362 WeakPolarHBondContact OD1-CB 3.5Å; N359-P363 WeakPolarHBondContact O-CD 3.11Å
360	L	86.1	Confident	92	Very high	126 Å²	126	45.7 Å²	45.7	66%	0.66	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-31.3	-173.8	-70.3	172.1	0	0	0	114.2	P363 Y425	L360-P363 WeakPolarHBondContact O-CD 3.18Å; L360-Y425 HydrophobicContact CD1-CD2 4.44Å; L360-Y425 HydrophobicContact CD1-CE2 4.04Å; L360-Y425 HydrophobicContact CD2-CD1 4.46Å; L360-Y425 HydrophobicContact CD2-CE1 3.92Å; L360-Y425 HydrophobicContact CD2-CE2 4.07Å; L360-Y425 HydrophobicContact CG-CD2 4.19Å; L360-Y425 HydrophobicContact CG-CE1 4.48Å; L360-Y425 HydrophobicContact CG-CE2 4.01Å
361	D	85.6	Confident	91.5	Very high	71 Å²	71	45.1 Å²	45.1	38%	0.38	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-12.6	178	55.7	-51.2	0	0	0	113.8	R161 N359 N364	R161-D361 IonicContact NH2-OD1 3.68Å; R161-D361 IonicContact NH2-OD2 2.77Å; R161-D361 PolarHBondContact NH2-OD2 3.36Å; N359-D361 PolarHBondContact ND2-OD1 3.09Å; N359-D361 PolarHBondContact ND2-OD2 3.08Å; N359-D361 PolarHBondContact O-N 3.23Å; N359-D361 VanDerWaalsContact O-N 3.13Å; D361-N364 PolarHBondContact O-N 3.14Å
362	W	89.4	Confident	91.1	Very high	8 Å²	8	52.4 Å²	52.4	3%	0.03	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-38.4	-177.1	-157.9	-114.2	0	0	0	115	R357 N359 N364 V365 C366 F376 C396 I471	R357-W362 HydrophobicContact CG-CD2 3.66Å; R357-W362 VanDerWaalsContact CG-CE2 3.41Å; R357-W362 HydrophobicContact CG-CE3 4.06Å; R357-W362 HydrophobicContact CG-CG 4.19Å; R357-W362 HydrophobicContact CG-CH2 4.01Å; R357-W362 HydrophobicContact CG-CZ2 3.59Å; R357-W362 HydrophobicContact CG-CZ3 4.24Å; R357-W362 VanDerWaalsContact NE-CE3 3.33Å; R357-W362 VanDerWaalsContact O-CD1 3.25Å; N359-W362 WeakPolarHBondContact O-CB 3.49Å; N359-W362 PolarHBondContact O-N 3Å; N359-W362 WeakPolarHBondContact OD1-CB 3.5Å; W362-N364 PolarHBondContact O-N 3.36Å; W362-N364 VanDerWaalsContact O-N 3.13Å; W362-V365 HydrophobicContact CE3-CB 4.42Å; W362-V365 HydrophobicContact CE3-CG2 4.11Å; W362-V365 HydrophobicContact CZ3-CG1 4.47Å; W362-V365 HydrophobicContact CZ3-CG2 4.32Å; W362-V365 WeakPolarHBondContact O-CB 3.41Å; W362-V365 PolarHBondContact O-N 2.77Å; W362-C366 PolarHBondContact O-N 3.47Å; W362-F376 HydrophobicContact CH2-CD2 4.34Å; W362-F376 HydrophobicContact CH2-CE2 4.49Å; W362-F376 HydrophobicContact CZ3-CE2 4.47Å; W362-C396 PolarHBondContact NE1-O 3.17Å; W362-I471 HydrophobicContact CH2-CG2 4.23Å; W362-I471 HydrophobicContact CZ2-CB 4.21Å; W362-I471 HydrophobicContact CZ2-CG2 4.21Å
363	P	90.1	Very high	90.6	Very high	55 Å²	55	60.5 Å²	60.5	36%	0.357	31%	0.314	S	S	.	.	H	α-helix	trans	-54	-34.7	176.9	-28.6	36.4	0	0	0	113.5	N359 L360 V365 C366 V367 M397	N359-P363 WeakPolarHBondContact O-CD 3.11Å; L360-P363 WeakPolarHBondContact O-CD 3.18Å; P363-V365 VanDerWaalsContact C-N 3.31Å; P363-V365 PolarHBondContact O-N 3.42Å; P363-C366 PolarHBondContact O-N 3.36Å; P363-C366 VanDerWaalsContact O-N 3.08Å; P363-V367 WeakPolarHBondContact O-CG2 3.37Å; P363-V367 PolarHBondContact O-N 3.22Å; P363-M397 HydrophobicContact CB-SD 3.99Å; P363-M397 HydrophobicContact CG-SD 3.93Å
364	N	90.7	Very high	90.3	Very high	127 Å²	127	62.9 Å²	62.9	68%	0.679	33%	0.325	S	S	*	.	H	α-helix	trans	-67	-30.9	178.9	-65.2	-28.3	0	0	0	112.7	D361 W362 C366	D361-N364 PolarHBondContact O-N 3.14Å; W362-N364 PolarHBondContact O-N 3.36Å; W362-N364 VanDerWaalsContact O-N 3.13Å; N364-C366 PolarHBondContact O-N 3.11Å
365	V	89.6	Confident	89.9	Confident	43 Å²	43	64.3 Å²	64.3	26%	0.261	33%	0.333	S	S	.	.	H	α-helix	trans	-67	-29.8	173.8	175.7	0	0	0	0	111	W362 P363 I375 F376	W362-V365 HydrophobicContact CE3-CB 4.42Å; W362-V365 HydrophobicContact CE3-CG2 4.11Å; W362-V365 HydrophobicContact CZ3-CG1 4.47Å; W362-V365 HydrophobicContact CZ3-CG2 4.32Å; W362-V365 WeakPolarHBondContact O-CB 3.41Å; W362-V365 PolarHBondContact O-N 2.77Å; P363-V365 VanDerWaalsContact C-N 3.31Å; P363-V365 PolarHBondContact O-N 3.42Å; V365-I375 HydrophobicContact CG1-CG2 4.4Å; V365-F376 HydrophobicContact CG1-CD2 4.24Å; V365-F376 HydrophobicContact CG1-CE2 3.68Å; V365-F376 HydrophobicContact CG2-CE2 4.37Å
366	C	92.1	Very high	89.7	Confident	2 Å²	2	67.7 Å²	67.7	1%	0.014	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	12.7	-172.4	-59.3	0	0	0	0	114.8	W362 P363 N364 L369 C396 M397	W362-C366 PolarHBondContact O-N 3.47Å; P363-C366 PolarHBondContact O-N 3.36Å; P363-C366 VanDerWaalsContact O-N 3.08Å; N364-C366 PolarHBondContact O-N 3.11Å; C366-L369 HydrophobicContact CB-CD1 4.45Å; C366-C396 WeakPolarHBondContact CA-SG 3.44Å; C366-C396 HydrophobicContact CB-CB 3.84Å; C366-C396 WeakPolarHBondContact CB-SG 3.02Å; C366-C396 VanDerWaalsContact SG-C 3.53Å; C366-C396 WeakPolarHBondContact SG-CB 3.44Å; C366-C396 CovalentContact SG-SG 2.03Å; C366-C396 PolarHBondContact SG-SG 3.34Å; C366-M397 HydrophobicContact CB-CB 4.08Å
367	V	88.9	Confident	89.5	Confident	92 Å²	92	67.6 Å²	67.6	56%	0.558	35%	0.347	S	S	*	.	S	Bend	trans	-78.1	-59.2	-180	177.1	0	0	0	0	111.6	P363 L369	P363-V367 WeakPolarHBondContact O-CG2 3.37Å; P363-V367 PolarHBondContact O-N 3.22Å; V367-L369 PolarHBondContact O-N 3.48Å
368	D	84	Confident	89.7	Confident	147 Å²	147	66.2 Å²	66.2	79%	0.786	34%	0.342	S	S	*	.	S	Bend	trans	-103.8	61.7	-170.8	-64.4	-44.2	0	0	0	112.3
369	L	88.2	Confident	89.8	Confident	34 Å²	34	66.2 Å²	66.2	18%	0.178	34%	0.338	C	S	.	.			trans	-80.3	127.6	-179.3	-59.2	175.9	0	0	0	111.6	C366 V367 I375 M391 K393 C396	C366-L369 HydrophobicContact CB-CD1 4.45Å; V367-L369 PolarHBondContact O-N 3.48Å; L369-I375 HydrophobicContact CD2-CD1 3.28Å; L369-M391 HydrophobicContact CB-CG 4.24Å; L369-M391 HydrophobicContact CD1-CG 4.42Å; L369-M391 HydrophobicContact CD2-CG 4.34Å; L369-K393 HydrophobicContact CD1-CB 4.37Å; L369-C396 HydrophobicContact CD1-CB 3.57Å; L369-C396 HydrophobicContact CD2-CB 4.43Å
370	T	88.2	Confident	90.2	Very high	81 Å²	81	66.9 Å²	66.9	50%	0.497	34%	0.341	S	S	.	.			trans	-96.4	125.7	168.9	-62.6	0	0	0	0	110	K372 W373	T370-K372 VanDerWaalsContact C-N 3.32Å; T370-K372 PolarHBondContact O-N 3.04Å; T370-K372 VanDerWaalsContact O-N 3.17Å; T370-W373 HydrophobicContact CG2-CB 4Å; T370-W373 PolarHBondContact O-N 2.86Å; T370-W373 VanDerWaalsContact O-N 3.16Å
371	P	86.3	Confident	90.7	Very high	70 Å²	70	61.1 Å²	61.1	46%	0.455	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-33.6	-171.5	-30.6	36.2	0	0	0	116.6	L390 M391	P371-L390 HydrophobicContact CB-CB 4.45Å; P371-M391 PolarHBondContact O-N 3.29Å
372	K	90.2	Very high	91.2	Very high	159 Å²	159	57.8 Å²	57.8	69%	0.691	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	38.9	179.2	-67.7	-170.7	175.4	-172.7	0	112.3	T370 F386 L390	T370-K372 VanDerWaalsContact C-N 3.32Å; T370-K372 PolarHBondContact O-N 3.04Å; T370-K372 VanDerWaalsContact O-N 3.17Å; K372-F386 HydrophobicContact CB-CD2 4.47Å; K372-F386 HydrophobicContact CB-CE2 4.27Å; K372-L390 HydrophobicContact CG-CD2 3.94Å
373	W	89.9	Confident	91.4	Very high	170 Å²	170	57.7 Å²	57.7	64%	0.644	30%	0.295	S	S	*	.			trans	-130	129.6	176.9	-174.2	-88.8	0	0	0	110.1	T370 F386	T370-W373 HydrophobicContact CG2-CB 4Å; T370-W373 PolarHBondContact O-N 2.86Å; T370-W373 VanDerWaalsContact O-N 3.16Å; W373-F386 VanDerWaalsContact N-CZ 3.32Å
374	H	92.4	Very high	91.4	Very high	50 Å²	50	57.8 Å²	57.8	23%	0.231	29%	0.293	C	S	.	.			trans	-77.9	128.8	175.4	-73	-58	0	0	0	110.1	S378 R379 G383 D384 F386	H374-S378 WeakPolarHBondContact CA-OG 3.47Å; H374-S378 PolarHBondContact ND1-OG 3.43Å; H374-S378 VanDerWaalsContact ND1-OG 3.08Å; H374-R379 HydrophobicContact CB-CG 4.44Å; H374-R379 VanDerWaalsContact CE1-CG 3.5Å; H374-R379 WeakPolarHBondContact CE1-CG 3.35Å; H374-G383 PolarHBondContact CE1-O 3.37Å; H374-G383 PolarHBondContact NE2-O 3.38Å; H374-D384 PolarHBondContact NE2-O 3.3Å; H374-F386 AromaticContact CD2-CZ 3.81Å; H374-F386 AromaticContact CE1-CE1 3.61Å; H374-F386 AromaticContact CE1-CE2 3.91Å; H374-F386 AromaticContact CE1-CZ 3.46Å; H374-F386 VanDerWaalsContact CE1-CZ 3.46Å; H374-F386 WeakPolarHBondContact CE1-CZ 3.45Å; H374-F386 AromaticContact CG-CZ 3.88Å; H374-F386 AromaticContact ND1-CE1 3.81Å; H374-F386 AromaticContact ND1-CZ 3.68Å; H374-F386 AromaticContact NE2-CE2 3.6Å; H374-F386 AromaticContact NE2-CZ 3.54Å
375	I	90.8	Very high	91.6	Very high	30 Å²	30	58.5 Å²	58.5	15%	0.154	30%	0.297	C	S	.	.			trans	-114.1	136.4	170.4	-61.4	172.9	0	0	0	107.4	V365 L369 D377 S378 I471	V365-I375 HydrophobicContact CG1-CG2 4.4Å; L369-I375 HydrophobicContact CD2-CD1 3.28Å; I375-D377 PolarHBondContact O-N 3.44Å; I375-S378 PolarHBondContact N-OG 3.37Å; I375-S378 VanDerWaalsContact N-OG 3.14Å; I375-S378 VanDerWaalsContact O-CB 3.29Å; I375-S378 WeakPolarHBondContact O-CB 3.36Å; I375-S378 PolarHBondContact O-N 3.08Å; I375-S378 PolarHBondContact O-OG 3.31Å; I375-S378 VanDerWaalsContact O-OG 3.05Å; I375-I471 HydrophobicContact CB-CG2 4.35Å; I375-I471 HydrophobicContact CG2-CG2 4Å
376	F	93	Very high	91.7	Very high	73 Å²	73	58.1 Å²	58.1	32%	0.32	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	41.1	-128.4	-172.5	-63	-66.4	0	0	0	109.4	F315 P316 W362 V365 I471 T473	F315-F376 AromaticContact CE1-CD1 3.64Å; F315-F376 HydrophobicContact CE1-CD1 3.64Å; F315-F376 HydrophobicContact CE1-CE1 4.38Å; F315-F376 AromaticContact CZ-CD1 3.7Å; F315-F376 HydrophobicContact CZ-CD1 3.7Å; F315-F376 HydrophobicContact CZ-CE1 4.48Å; P316-F376 VanDerWaalsContact CG-C 3.4Å; P316-F376 WeakPolarHBondContact CG-O 3.33Å; W362-F376 HydrophobicContact CH2-CD2 4.34Å; W362-F376 HydrophobicContact CH2-CE2 4.49Å; W362-F376 HydrophobicContact CZ3-CE2 4.47Å; V365-F376 HydrophobicContact CG1-CD2 4.24Å; V365-F376 HydrophobicContact CG1-CE2 3.68Å; V365-F376 HydrophobicContact CG2-CE2 4.37Å; F376-I471 HydrophobicContact CB-CG2 3.81Å; F376-I471 WeakPolarHBondContact CB-O 3.33Å; F376-I471 HydrophobicContact CD2-CG2 3.62Å; F376-I471 HydrophobicContact CG-CG2 4.19Å; F376-T473 HydrophobicContact CB-CG2 4.39Å
377	D	94	Very high	91.8	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	41.9	-177.8	-162.6	37.9	0	0	0	113.8	P316 I375 R379 Q380 I471 T473 T476	P316-D377 HydrophobicContact CB-CB 3.81Å; P316-D377 WeakPolarHBondContact CB-OD1 3.41Å; P316-D377 HydrophobicContact CG-CB 3.7Å; I375-D377 PolarHBondContact O-N 3.44Å; D377-R379 PolarHBondContact O-N 3.13Å; D377-R379 VanDerWaalsContact O-N 3.12Å; D377-R379 IonicContact OD1-CZ 3.63Å; D377-R379 IonicContact OD1-NE 2.59Å; D377-R379 IonicContact OD1-NH2 3.51Å; D377-R379 PolarHBondContact OD1-NH2 3.32Å; D377-Q380 WeakPolarHBondContact O-CB 3.47Å; D377-Q380 WeakPolarHBondContact O-CG 3.38Å; D377-Q380 PolarHBondContact O-N 2.6Å; D377-Q380 VanDerWaalsContact O-N 3.12Å; D377-Q380 PolarHBondContact O-NE2 3.48Å; D377-I471 PolarHBondContact N-O 2.74Å; D377-T473 HydrophobicContact CB-CG2 4.16Å; D377-T476 WeakPolarHBondContact OD2-CB 3.13Å; D377-T476 WeakPolarHBondContact OD2-CG2 3.48Å; D377-T476 PolarHBondContact OD2-OG1 1.97Å
378	S	95.5	Very high	92	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-20	174.4	56.5	0	0	0	0	115.2	H374 I375 Q380 C381 L382 C470	H374-S378 WeakPolarHBondContact CA-OG 3.47Å; H374-S378 PolarHBondContact ND1-OG 3.43Å; H374-S378 VanDerWaalsContact ND1-OG 3.08Å; I375-S378 PolarHBondContact N-OG 3.37Å; I375-S378 VanDerWaalsContact N-OG 3.14Å; I375-S378 VanDerWaalsContact O-CB 3.29Å; I375-S378 WeakPolarHBondContact O-CB 3.36Å; I375-S378 PolarHBondContact O-N 3.08Å; I375-S378 PolarHBondContact O-OG 3.31Å; I375-S378 VanDerWaalsContact O-OG 3.05Å; S378-Q380 PolarHBondContact O-N 3.29Å; S378-C381 PolarHBondContact O-N 2.92Å; S378-L382 WeakPolarHBondContact O-CB 3.34Å; S378-L382 WeakPolarHBondContact O-CG 3.34Å; S378-L382 PolarHBondContact O-N 3.36Å; S378-C470 WeakPolarHBondContact CA-O 3.25Å; S378-C470 PolarHBondContact O-SG 2.88Å; S378-C470 VanDerWaalsContact O-SG 3.41Å
379	R	95.2	Very high	92.4	Very high	45 Å²	45	59.7 Å²	59.7	17%	0.17	29%	0.292	C	S	.	.	H	α-helix	trans	-55.6	-31.6	173.1	-65.9	179.1	-54.3	114.2	9.6	112.1	V317 H374 D377 C381 G383 D384	V317-R379 PolarHBondContact O-NH2 2.03Å; H374-R379 HydrophobicContact CB-CG 4.44Å; H374-R379 VanDerWaalsContact CE1-CG 3.5Å; H374-R379 WeakPolarHBondContact CE1-CG 3.35Å; D377-R379 PolarHBondContact O-N 3.13Å; D377-R379 VanDerWaalsContact O-N 3.12Å; D377-R379 IonicContact OD1-CZ 3.63Å; D377-R379 IonicContact OD1-NE 2.59Å; D377-R379 IonicContact OD1-NH2 3.51Å; D377-R379 PolarHBondContact OD1-NH2 3.32Å; R379-C381 PolarHBondContact O-N 3.19Å; R379-C381 VanDerWaalsContact O-N 3.08Å; R379-G383 VanDerWaalsContact O-CA 3.31Å; R379-G383 WeakPolarHBondContact O-CA 3.4Å; R379-G383 PolarHBondContact O-N 2.94Å; R379-D384 IonicContact NH1-OD1 2.7Å; R379-D384 PolarHBondContact NH1-OD1 3.45Å
380	Q	95.1	Very high	92.6	Very high	21 Å²	21	61.8 Å²	61.8	10%	0.098	30%	0.303	C	S	.	.	H	α-helix	trans	-57.1	-27.7	-179.6	78.2	-172.9	-78	0	0	113.8	D377 S378 C470 T476 F491	D377-Q380 WeakPolarHBondContact O-CB 3.47Å; D377-Q380 WeakPolarHBondContact O-CG 3.38Å; D377-Q380 PolarHBondContact O-N 2.6Å; D377-Q380 VanDerWaalsContact O-N 3.12Å; D377-Q380 PolarHBondContact O-NE2 3.48Å; S378-Q380 PolarHBondContact O-N 3.29Å; Q380-C470 VanDerWaalsContact CD-O 3.31Å; Q380-C470 WeakPolarHBondContact CG-O 3.08Å; Q380-C470 PolarHBondContact NE2-O 3.19Å; Q380-T476 HydrophobicContact CB-CG2 4.24Å; Q380-T476 PolarHBondContact NE2-OG1 2.81Å; Q380-T476 VanDerWaalsContact OE1-CA 3.31Å; Q380-T476 PolarHBondContact OE1-OG1 3.11Å; Q380-F491 HydrophobicContact CB-CZ 4.2Å; Q380-F491 HydrophobicContact CG-CE1 3.7Å; Q380-F491 HydrophobicContact CG-CE2 4.36Å; Q380-F491 HydrophobicContact CG-CZ 3.56Å; Q380-F491 WeakPolarHBondContact O-CE2 3.39Å
381	C	95.6	Very high	92.9	Very high	6 Å²	6	58.1 Å²	58.1	4%	0.041	28%	0.28	C	S	.	.	H	α-helix	trans	-114.2	-35.5	177.3	96.4	0	0	0	0	113.2	S378 R379 H388 C470 F491 M494	S378-C381 PolarHBondContact O-N 2.92Å; R379-C381 PolarHBondContact O-N 3.19Å; R379-C381 VanDerWaalsContact O-N 3.08Å; C381-H388 VanDerWaalsContact O-CB 3.29Å; C381-H388 WeakPolarHBondContact O-CB 3.4Å; C381-H388 PolarHBondContact O-CD2 3.08Å; C381-C470 HydrophobicContact CB-CB 3.74Å; C381-C470 WeakPolarHBondContact CB-SG 2.97Å; C381-C470 WeakPolarHBondContact SG-CB 3.45Å; C381-C470 CovalentContact SG-SG 2Å; C381-C470 PolarHBondContact SG-SG 3.49Å; C381-F491 HydrophobicContact CB-CB 3.94Å; C381-F491 HydrophobicContact CB-CD1 4.06Å; C381-F491 HydrophobicContact CB-CD2 3.2Å; C381-F491 HydrophobicContact CB-CE1 4.4Å; C381-F491 HydrophobicContact CB-CE2 3.62Å; C381-F491 HydrophobicContact CB-CG 3.45Å; C381-F491 VanDerWaalsContact CB-CG 3.45Å; C381-F491 HydrophobicContact CB-CZ 4.2Å; C381-M494 WeakPolarHBondContact O-CE 3.29Å
382	L	95.3	Very high	93.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-82.5	-21.1	-175.9	-57.3	-178.5	0	0	0	112.2	S378 F386 E387 H388 M391 I395 M494	S378-L382 WeakPolarHBondContact O-CB 3.34Å; S378-L382 WeakPolarHBondContact O-CG 3.34Å; S378-L382 PolarHBondContact O-N 3.36Å; L382-F386 HydrophobicContact CB-CD1 4.07Å; L382-F386 HydrophobicContact CD1-CD1 3.82Å; L382-F386 HydrophobicContact CD1-CE1 3.75Å; L382-F386 CarbonylContact O-C 3.48Å; L382-F386 VanDerWaalsContact O-C 3.24Å; L382-F386 WeakPolarHBondContact O-CA 3.25Å; L382-E387 PolarHBondContact O-N 3.49Å; L382-E387 VanDerWaalsContact O-N 3.15Å; L382-H388 PolarHBondContact O-N 3.4Å; L382-M391 HydrophobicContact CD1-CB 4.16Å; L382-M391 HydrophobicContact CD1-CE 3.71Å; L382-M391 HydrophobicContact CD1-SD 4.43Å; L382-I395 HydrophobicContact CD2-CD1 4.02Å; L382-M494 HydrophobicContact CD2-SD 4.37Å
383	G	93.5	Very high	93.3	Very high	6 Å²	6	56.4 Å²	56.4	6%	0.062	27%	0.271	C	S	.	.			trans	84.7	173.8	-169.5	0	0	0	0	0	112.8	H374 R379 N385 E387	H374-G383 PolarHBondContact CE1-O 3.37Å; H374-G383 PolarHBondContact NE2-O 3.38Å; R379-G383 VanDerWaalsContact O-CA 3.31Å; R379-G383 WeakPolarHBondContact O-CA 3.4Å; R379-G383 PolarHBondContact O-N 2.94Å; G383-N385 VanDerWaalsContact C-N 3.3Å; G383-N385 PolarHBondContact O-N 3.37Å; G383-E387 WeakPolarHBondContact CA-OE1 3.15Å; G383-E387 WeakPolarHBondContact CA-OE2 3.29Å
384	D	91.8	Very high	93.5	Very high	58 Å²	58	51.2 Å²	51.2	31%	0.31	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-25.4	-174.2	-68.6	-47	0	0	0	112.3	K319 H374 R379 E387	K319-D384 IonicContact NZ-OD2 3.71Å; K319-D384 PolarHBondContact NZ-OD2 3.45Å; H374-D384 PolarHBondContact NE2-O 3.3Å; R379-D384 IonicContact NH1-OD1 2.7Å; R379-D384 PolarHBondContact NH1-OD1 3.45Å; D384-E387 PolarHBondContact N-OE1 2.97Å; D384-E387 VanDerWaalsContact N-OE1 3.13Å; D384-E387 PolarHBondContact N-OE2 3.46Å; D384-E387 VanDerWaalsContact N-OE2 3.15Å
385	N	93.8	Very high	93.7	Very high	142 Å²	142	48.9 Å²	48.9	76%	0.759	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.2	25.2	-179.3	-65.4	-68.3	0	0	0	112.5	G383 E387	G383-N385 VanDerWaalsContact C-N 3.3Å; G383-N385 PolarHBondContact O-N 3.37Å; N385-E387 VanDerWaalsContact C-N 3.26Å; N385-E387 WeakPolarHBondContact CA-OE2 3.39Å; N385-E387 PolarHBondContact N-OE2 3.41Å; N385-E387 PolarHBondContact O-N 3.33Å
386	F	93.1	Very high	93.8	Very high	34 Å²	34	47.5 Å²	47.5	15%	0.149	24%	0.236	C	C	.	.	S	Bend	trans	62.3	30.4	-177.1	-53.7	-89	0	0	0	113.6	K372 W373 H374 L382 H388 S389 L390	K372-F386 HydrophobicContact CB-CD2 4.47Å; K372-F386 HydrophobicContact CB-CE2 4.27Å; W373-F386 VanDerWaalsContact N-CZ 3.32Å; H374-F386 AromaticContact CD2-CZ 3.81Å; H374-F386 AromaticContact CE1-CE1 3.61Å; H374-F386 AromaticContact CE1-CE2 3.91Å; H374-F386 AromaticContact CE1-CZ 3.46Å; H374-F386 VanDerWaalsContact CE1-CZ 3.46Å; H374-F386 WeakPolarHBondContact CE1-CZ 3.45Å; H374-F386 AromaticContact CG-CZ 3.88Å; H374-F386 AromaticContact ND1-CE1 3.81Å; H374-F386 AromaticContact ND1-CZ 3.68Å; H374-F386 AromaticContact NE2-CE2 3.6Å; H374-F386 AromaticContact NE2-CZ 3.54Å; L382-F386 HydrophobicContact CB-CD1 4.07Å; L382-F386 HydrophobicContact CD1-CD1 3.82Å; L382-F386 HydrophobicContact CD1-CE1 3.75Å; L382-F386 CarbonylContact O-C 3.48Å; L382-F386 VanDerWaalsContact O-C 3.24Å; L382-F386 WeakPolarHBondContact O-CA 3.25Å; F386-H388 PolarHBondContact O-N 2.86Å; F386-S389 WeakPolarHBondContact CB-O 3.27Å; F386-L390 HydrophobicContact CB-CD2 4.04Å; F386-L390 HydrophobicContact CG-CD2 4.42Å
387	E	93	Very high	93.9	Very high	106 Å²	106	47.1 Å²	47.1	50%	0.495	24%	0.236	S	C	.	.	S	Bend	trans	-63.9	-21.8	-179.5	59.6	-92.2	-153.5	0	0	113.8	L382 G383 D384 N385	L382-E387 PolarHBondContact O-N 3.49Å; L382-E387 VanDerWaalsContact O-N 3.15Å; G383-E387 WeakPolarHBondContact CA-OE1 3.15Å; G383-E387 WeakPolarHBondContact CA-OE2 3.29Å; D384-E387 PolarHBondContact N-OE1 2.97Å; D384-E387 VanDerWaalsContact N-OE1 3.13Å; D384-E387 PolarHBondContact N-OE2 3.46Å; D384-E387 VanDerWaalsContact N-OE2 3.15Å; N385-E387 VanDerWaalsContact C-N 3.26Å; N385-E387 WeakPolarHBondContact CA-OE2 3.39Å; N385-E387 PolarHBondContact N-OE2 3.41Å; N385-E387 PolarHBondContact O-N 3.33Å
388	H	92.3	Very high	94	Very high	128 Å²	128	47.8 Å²	47.8	59%	0.593	24%	0.24	S	C	*	.	S	Bend	trans	-100.4	-33.5	-176.9	-59.4	-40.1	0	0	0	113.4	C381 L382 F386 M494	C381-H388 VanDerWaalsContact O-CB 3.29Å; C381-H388 WeakPolarHBondContact O-CB 3.4Å; C381-H388 PolarHBondContact O-CD2 3.08Å; L382-H388 PolarHBondContact O-N 3.4Å; F386-H388 PolarHBondContact O-N 2.86Å; H388-M494 HydrophobicContact CB-CE 3.97Å
389	S	93	Very high	94	Very high	41 Å²	41	50 Å²	50	29%	0.287	26%	0.256	S	S	.	.			trans	-172.1	170.5	176.7	-168.2	0	0	0	0	110.5	F386 M494	F386-S389 WeakPolarHBondContact CB-O 3.27Å; S389-M494 VanDerWaalsContact CB-SD 3.6Å
390	L	92.9	Very high	94.1	Very high	77 Å²	77	53.2 Å²	53.2	40%	0.403	27%	0.271	S	S	.	.			trans	-95.7	153.9	170.1	-64	176.2	0	0	0	110.8	P371 K372 F386 T392 I395	P371-L390 HydrophobicContact CB-CB 4.45Å; K372-L390 HydrophobicContact CG-CD2 3.94Å; F386-L390 HydrophobicContact CB-CD2 4.04Å; F386-L390 HydrophobicContact CG-CD2 4.42Å; L390-T392 PolarHBondContact O-N 3.07Å; L390-I395 VanDerWaalsContact O-CD1 3.31Å; L390-I395 WeakPolarHBondContact O-CD1 3.26Å
391	M	93.5	Very high	94.2	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.025	29%	0.294	C	S	.	.			trans	-62.8	125.6	174.7	-177.1	59.1	75.5	0	0	110.5	L369 P371 L382 I395 I471	L369-M391 HydrophobicContact CB-CG 4.24Å; L369-M391 HydrophobicContact CD1-CG 4.42Å; L369-M391 HydrophobicContact CD2-CG 4.34Å; P371-M391 PolarHBondContact O-N 3.29Å; L382-M391 HydrophobicContact CD1-CB 4.16Å; L382-M391 HydrophobicContact CD1-CE 3.71Å; L382-M391 HydrophobicContact CD1-SD 4.43Å; M391-I395 HydrophobicContact SD-CG2 4.41Å; M391-I471 HydrophobicContact CE-CD1 3.62Å; M391-I471 HydrophobicContact CE-CG1 3.79Å; M391-I471 HydrophobicContact SD-CD1 3.55Å; M391-I471 VanDerWaalsContact SD-CD1 3.55Å; M391-I471 HydrophobicContact SD-CG1 4.18Å
392	T	93.5	Very high	94.2	Very high	61 Å²	61	56.2 Å²	56.2	37%	0.374	30%	0.298	S	S	.	.			trans	-132.6	160.4	176	66.9	0	0	0	0	111	L390 E394 I395 C396	L390-T392 PolarHBondContact O-N 3.07Å; T392-E394 PolarHBondContact O-N 3.01Å; T392-I395 PolarHBondContact O-N 3.49Å; T392-I395 WeakPolarHBondContact OG1-CG1 3.12Å; T392-I395 PolarHBondContact OG1-N 2.92Å; T392-C396 PolarHBondContact O-N 2.92Å
393	K	92.8	Very high	94.3	Very high	132 Å²	132	56.6 Å²	56.6	57%	0.574	30%	0.3	S	S	*	.	H	α-helix	trans	-58.5	-35.4	174.6	-171.4	171.9	-177.8	173.5	0	112.6	L369 C396 M397	L369-K393 HydrophobicContact CD1-CB 4.37Å; K393-C396 PolarHBondContact O-N 3.23Å; K393-M397 CarbonylContact O-C 3.03Å; K393-M397 WeakPolarHBondContact O-CA 3.42Å; K393-M397 PolarHBondContact O-N 3.05Å
394	E	94.4	Very high	94.5	Very high	60 Å²	60	57.7 Å²	57.7	28%	0.28	30%	0.304	S	S	.	.	H	α-helix	trans	-68.7	-37.1	176.5	-98.6	-75	149.8	0	0	112.8	T392 C396 M397 P398 S399 T402 A493	T392-E394 PolarHBondContact O-N 3.01Å; E394-C396 VanDerWaalsContact C-N 3.34Å; E394-M397 CarbonylContact O-C 3.26Å; E394-P398 WeakPolarHBondContact O-CA 3.37Å; E394-P398 WeakPolarHBondContact O-CB 3.4Å; E394-P398 WeakPolarHBondContact O-CD 3.49Å; E394-P398 VanDerWaalsContact O-N 3.07Å; E394-S399 WeakPolarHBondContact OE1-CB 3.21Å; E394-S399 PolarHBondContact OE1-N 3.33Å; E394-S399 PolarHBondContact OE1-OG 3.05Å; E394-T402 PolarHBondContact OE1-OG1 3.44Å; E394-T402 WeakPolarHBondContact OE2-CB 3.31Å; E394-T402 VanDerWaalsContact OE2-CG2 3.26Å; E394-T402 WeakPolarHBondContact OE2-CG2 3.2Å; E394-T402 PolarHBondContact OE2-OG1 3.2Å; E394-A493 HydrophobicContact CB-CB 3.87Å
395	I	94.7	Very high	94.8	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-68	-36.9	174	-70.6	169.3	0	0	0	111.1	L382 L390 M391 T392 C470 A493 M494	L382-I395 HydrophobicContact CD2-CD1 4.02Å; L390-I395 VanDerWaalsContact O-CD1 3.31Å; L390-I395 WeakPolarHBondContact O-CD1 3.26Å; M391-I395 HydrophobicContact SD-CG2 4.41Å; T392-I395 PolarHBondContact O-N 3.49Å; T392-I395 WeakPolarHBondContact OG1-CG1 3.12Å; T392-I395 PolarHBondContact OG1-N 2.92Å; I395-C470 HydrophobicContact CG2-CB 3.52Å; I395-A493 HydrophobicContact CG1-CB 3.93Å; I395-M494 HydrophobicContact CD1-SD 3.71Å; I395-M494 HydrophobicContact CG1-SD 4.22Å
396	C	95	Very high	95	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-72.6	-49.6	178.3	-168.3	0	0	0	0	112.7	W362 C366 L369 T392 K393 E394 N469 I471	W362-C396 PolarHBondContact NE1-O 3.17Å; C366-C396 WeakPolarHBondContact CA-SG 3.44Å; C366-C396 HydrophobicContact CB-CB 3.84Å; C366-C396 WeakPolarHBondContact CB-SG 3.02Å; C366-C396 VanDerWaalsContact SG-C 3.53Å; C366-C396 WeakPolarHBondContact SG-CB 3.44Å; C366-C396 CovalentContact SG-SG 2.03Å; C366-C396 PolarHBondContact SG-SG 3.34Å; L369-C396 HydrophobicContact CD1-CB 3.57Å; L369-C396 HydrophobicContact CD2-CB 4.43Å; T392-C396 PolarHBondContact O-N 2.92Å; K393-C396 PolarHBondContact O-N 3.23Å; E394-C396 VanDerWaalsContact C-N 3.34Å; C396-N469 PolarHBondContact O-ND2 3.34Å; C396-I471 VanDerWaalsContact CA-CD1 3.48Å; C396-I471 HydrophobicContact CB-CD1 3.44Å; C396-I471 VanDerWaalsContact CB-CD1 3.44Å; C396-I471 WeakPolarHBondContact SG-CD1 3.28Å
397	M	94.3	Very high	95.2	Very high	66 Å²	66	52.4 Å²	52.4	33%	0.325	27%	0.269	S	S	.	.	S	Bend	trans	-138.5	82.6	-174.3	-173.7	176.3	71.2	0	0	108.7	P363 C366 K393 E394	P363-M397 HydrophobicContact CB-SD 3.99Å; P363-M397 HydrophobicContact CG-SD 3.93Å; C366-M397 HydrophobicContact CB-CB 4.08Å; K393-M397 CarbonylContact O-C 3.03Å; K393-M397 WeakPolarHBondContact O-CA 3.42Å; K393-M397 PolarHBondContact O-N 3.05Å; E394-M397 CarbonylContact O-C 3.26Å
398	P	95.6	Very high	95.3	Very high	14 Å²	14	51.1 Å²	51.1	9%	0.091	26%	0.259	C	S	.	.			trans	-64.2	138.5	-177.5	28	-37.2	0	0	0	110.6	E394 T402 I403 W492	E394-P398 WeakPolarHBondContact O-CA 3.37Å; E394-P398 WeakPolarHBondContact O-CB 3.4Å; E394-P398 WeakPolarHBondContact O-CD 3.49Å; E394-P398 VanDerWaalsContact O-N 3.07Å; P398-T402 HydrophobicContact CB-CG2 4.21Å; P398-I403 HydrophobicContact CB-CD1 4.41Å; P398-I403 HydrophobicContact CB-CG1 4.02Å; P398-I403 HydrophobicContact CG-CD1 4.01Å; P398-I403 HydrophobicContact CG-CG1 3.93Å; P398-W492 HydrophobicContact CB-CB 3.86Å; P398-W492 HydrophobicContact CB-CG 4.37Å; P398-W492 HydrophobicContact CG-CB 3.68Å; P398-W492 HydrophobicContact CG-CG 3.79Å
399	S	95.5	Very high	95.5	Very high	47 Å²	47	48.3 Å²	48.3	33%	0.329	25%	0.246	S	C	.	.			trans	-66	155.9	175.8	63.7	0	0	0	0	111.3	E394 A401 T402 I403	E394-S399 WeakPolarHBondContact OE1-CB 3.21Å; E394-S399 PolarHBondContact OE1-N 3.33Å; E394-S399 PolarHBondContact OE1-OG 3.05Å; S399-A401 PolarHBondContact O-N 2.99Å; S399-A401 VanDerWaalsContact O-N 3.17Å; S399-T402 PolarHBondContact O-N 3.38Å; S399-T402 PolarHBondContact OG-N 2.59Å; S399-T402 PolarHBondContact OG-OG1 3.24Å; S399-I403 PolarHBondContact O-N 3.39Å
400	K	96.6	Very high	95.7	Very high	112 Å²	112	46.6 Å²	46.6	49%	0.487	23%	0.234	S	C	.	.	H	α-helix	trans	-50.8	-38.6	170.6	173.1	166.7	168.5	163.8	0	111.8	L404 M428 E431	K400-L404 HydrophobicContact CG-CD1 3.88Å; K400-L404 HydrophobicContact CG-CG 4.38Å; K400-L404 WeakPolarHBondContact O-CB 3.36Å; K400-L404 VanDerWaalsContact O-CG 3.22Å; K400-L404 WeakPolarHBondContact O-CG 3.42Å; K400-L404 PolarHBondContact O-N 3.29Å; K400-M428 HydrophobicContact CB-CE 4.27Å; K400-M428 HydrophobicContact CD-CE 4.36Å; K400-M428 HydrophobicContact CG-CE 3.83Å; K400-E431 HydrophobicContact CD-CG 4.18Å; K400-E431 IonicContact NZ-OE1 3.52Å; K400-E431 PolarHBondContact NZ-OE1 3.2Å
401	A	97.1	Very high	95.8	Very high	71 Å²	71	42.9 Å²	42.9	59%	0.587	22%	0.215	S	C	*	.	H	α-helix	trans	-63.9	-46.4	176.8	0	0	0	0	0	112	S399 R405	S399-A401 PolarHBondContact O-N 2.99Å; S399-A401 VanDerWaalsContact O-N 3.17Å; A401-R405 WeakPolarHBondContact O-CB 3.44Å; A401-R405 PolarHBondContact O-N 3.08Å
402	T	96.7	Very high	95.8	Very high	18 Å²	18	49.9 Å²	49.9	11%	0.11	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-48.2	175.6	-66.2	0	0	0	0	111.9	E394 P398 S399 L404 R405 Q406 A493	E394-T402 PolarHBondContact OE1-OG1 3.44Å; E394-T402 WeakPolarHBondContact OE2-CB 3.31Å; E394-T402 VanDerWaalsContact OE2-CG2 3.26Å; E394-T402 WeakPolarHBondContact OE2-CG2 3.2Å; E394-T402 PolarHBondContact OE2-OG1 3.2Å; P398-T402 HydrophobicContact CB-CG2 4.21Å; S399-T402 PolarHBondContact O-N 3.38Å; S399-T402 PolarHBondContact OG-N 2.59Å; S399-T402 PolarHBondContact OG-OG1 3.24Å; T402-L404 PolarHBondContact O-N 2.89Å; T402-R405 PolarHBondContact O-N 3.2Å; T402-Q406 HydrophobicContact CG2-CG 4.29Å; T402-Q406 VanDerWaalsContact CG2-OE1 3.23Å; T402-Q406 WeakPolarHBondContact O-CB 3.41Å; T402-Q406 WeakPolarHBondContact O-CG 3.29Å; T402-Q406 PolarHBondContact O-N 3.12Å; T402-A493 HydrophobicContact CG2-CB 4.28Å
403	I	97.9	Very high	95.9	Very high	9 Å²	9	52.1 Å²	52.1	5%	0.046	25%	0.247	C	C	.	.	H	α-helix	trans	-58.1	-52.8	-179.7	-69.1	161.4	0	0	0	110.5	L356 P398 S399 R405 Q406 V407 M428 F432 W492	L356-I403 HydrophobicContact CD2-CD1 4.13Å; L356-I403 HydrophobicContact CD2-CG1 4.44Å; L356-I403 HydrophobicContact CD2-CG2 3.72Å; P398-I403 HydrophobicContact CB-CD1 4.41Å; P398-I403 HydrophobicContact CB-CG1 4.02Å; P398-I403 HydrophobicContact CG-CD1 4.01Å; P398-I403 HydrophobicContact CG-CG1 3.93Å; S399-I403 PolarHBondContact O-N 3.39Å; I403-R405 VanDerWaalsContact C-N 3.34Å; I403-R405 PolarHBondContact O-N 3.05Å; I403-Q406 PolarHBondContact O-N 2.92Å; I403-V407 WeakPolarHBondContact O-CB 3.44Å; I403-V407 WeakPolarHBondContact O-CG2 3.46Å; I403-V407 PolarHBondContact O-N 3.12Å; I403-M428 HydrophobicContact CB-CE 4.49Å; I403-M428 HydrophobicContact CD1-SD 4.12Å; I403-M428 HydrophobicContact CG2-CE 4.16Å; I403-M428 HydrophobicContact CG2-SD 4.31Å; I403-F432 HydrophobicContact CG2-CE1 3.89Å; I403-F432 HydrophobicContact CG2-CZ 3.63Å; I403-W492 HydrophobicContact CG1-CE3 4.48Å; I403-W492 HydrophobicContact CG2-CH2 4.27Å; I403-W492 HydrophobicContact CG2-CZ3 4.37Å
404	L	98	Very high	96	Very high	29 Å²	29	48.6 Å²	48.6	15%	0.152	24%	0.236	C	C	.	.	H	α-helix	trans	-63.4	-41.1	-177.8	-66.8	176.2	0	0	0	112	K400 T402 R408 M428 E431 F432	K400-L404 HydrophobicContact CG-CD1 3.88Å; K400-L404 HydrophobicContact CG-CG 4.38Å; K400-L404 WeakPolarHBondContact O-CB 3.36Å; K400-L404 VanDerWaalsContact O-CG 3.22Å; K400-L404 WeakPolarHBondContact O-CG 3.42Å; K400-L404 PolarHBondContact O-N 3.29Å; T402-L404 PolarHBondContact O-N 2.89Å; L404-R408 VanDerWaalsContact O-CB 3.26Å; L404-R408 WeakPolarHBondContact O-CB 3.3Å; L404-R408 PolarHBondContact O-N 2.96Å; L404-M428 HydrophobicContact CD2-CE 4.38Å; L404-M428 HydrophobicContact CG-CE 4.46Å; L404-E431 HydrophobicContact CD1-CB 4.37Å; L404-E431 HydrophobicContact CD2-CB 3.9Å; L404-F432 HydrophobicContact CD2-CD1 3.61Å; L404-F432 HydrophobicContact CD2-CE1 3.72Å; L404-F432 HydrophobicContact CD2-CG 4.41Å
405	R	96.8	Very high	96	Very high	115 Å²	115	48 Å²	48	43%	0.434	25%	0.246	S	C	.	.	H	α-helix	trans	-63.1	-52.9	177.1	-176.3	-173.7	61.9	73.1	4.5	111.5	A401 T402 I403 V407 R408 E409	A401-R405 WeakPolarHBondContact O-CB 3.44Å; A401-R405 PolarHBondContact O-N 3.08Å; T402-R405 PolarHBondContact O-N 3.2Å; I403-R405 VanDerWaalsContact C-N 3.34Å; I403-R405 PolarHBondContact O-N 3.05Å; R405-V407 PolarHBondContact O-N 2.96Å; R405-R408 PolarHBondContact O-N 3.27Å; R405-E409 WeakPolarHBondContact CD-OE1 3.39Å; R405-E409 HydrophobicContact CG-CG 4.39Å; R405-E409 WeakPolarHBondContact CG-OE1 3.48Å; R405-E409 IonicContact CZ-OE1 2.67Å; R405-E409 IonicContact CZ-OE2 2.67Å; R405-E409 IonicContact NH1-OE1 2.92Å; R405-E409 PolarHBondContact NH1-OE1 2.74Å; R405-E409 IonicContact NH1-OE2 3.66Å; R405-E409 PolarHBondContact NH1-OE2 3.36Å; R405-E409 WeakPolarHBondContact O-CB 3.45Å; R405-E409 WeakPolarHBondContact O-CG 3.08Å; R405-E409 PolarHBondContact O-N 3.03Å
406	Q	97.5	Very high	96.2	Very high	8 Å²	8	48.6 Å²	48.6	4%	0.037	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-44.1	-178.8	-75.1	-172.3	-79	0	0	111.8	T402 I403 R408 E409 T410 F491 W492 M494	T402-Q406 HydrophobicContact CG2-CG 4.29Å; T402-Q406 VanDerWaalsContact CG2-OE1 3.23Å; T402-Q406 WeakPolarHBondContact O-CB 3.41Å; T402-Q406 WeakPolarHBondContact O-CG 3.29Å; T402-Q406 PolarHBondContact O-N 3.12Å; I403-Q406 PolarHBondContact O-N 2.92Å; Q406-R408 VanDerWaalsContact C-N 3.33Å; Q406-R408 PolarHBondContact O-N 3.44Å; Q406-E409 PolarHBondContact O-N 3.25Å; Q406-T410 VanDerWaalsContact O-CB 3.23Å; Q406-T410 WeakPolarHBondContact O-CB 3.42Å; Q406-T410 PolarHBondContact O-N 3.15Å; Q406-T410 PolarHBondContact O-OG1 3.43Å; Q406-F491 PolarHBondContact NE2-O 3.37Å; Q406-W492 HydrophobicContact CB-CE3 4.41Å; Q406-W492 HydrophobicContact CB-CZ3 4.25Å; Q406-M494 PolarHBondContact NE2-O 2.86Å
407	V	97.8	Very high	96.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-46.3	176.7	170.4	0	0	0	0	110.8	L352 I354 I403 R405 T410 M411 L419 F432 L436 W492	L352-V407 HydrophobicContact CD2-CG1 4.26Å; I354-V407 HydrophobicContact CD1-CG2 4.04Å; I354-V407 HydrophobicContact CG2-CG2 4.28Å; I403-V407 WeakPolarHBondContact O-CB 3.44Å; I403-V407 WeakPolarHBondContact O-CG2 3.46Å; I403-V407 PolarHBondContact O-N 3.12Å; R405-V407 PolarHBondContact O-N 2.96Å; V407-T410 PolarHBondContact O-N 2.86Å; V407-M411 HydrophobicContact CG1-CG 4.39Å; V407-M411 HydrophobicContact CG1-SD 4.09Å; V407-M411 WeakPolarHBondContact O-CB 3.12Å; V407-M411 VanDerWaalsContact O-CG 3.27Å; V407-M411 WeakPolarHBondContact O-CG 3.23Å; V407-M411 PolarHBondContact O-N 3.38Å; V407-L419 HydrophobicContact CG1-CD1 4.27Å; V407-L419 HydrophobicContact CG1-CD2 3.85Å; V407-F432 HydrophobicContact CB-CD1 4.49Å; V407-F432 HydrophobicContact CB-CE1 3.99Å; V407-F432 HydrophobicContact CG1-CD1 4.14Å; V407-F432 HydrophobicContact CG1-CE1 4.04Å; V407-F432 HydrophobicContact CG2-CE1 3.74Å; V407-F432 HydrophobicContact CG2-CZ 4.24Å; V407-L436 HydrophobicContact CG1-CD1 4.15Å; V407-L436 HydrophobicContact CG1-CD2 4.47Å; V407-W492 HydrophobicContact CG2-CH2 3.75Å; V407-W492 HydrophobicContact CG2-CZ3 3.92Å
408	R	96.4	Very high	96.5	Very high	79 Å²	79	48.2 Å²	48.2	30%	0.298	24%	0.244	S	C	.	.	H	α-helix	trans	-62.8	-48.8	179.4	-176.2	-179.6	177.2	89.2	2.8	112.4	L404 R405 Q406 T410 M411 F412 S435 L436 D438	L404-R408 VanDerWaalsContact O-CB 3.26Å; L404-R408 WeakPolarHBondContact O-CB 3.3Å; L404-R408 PolarHBondContact O-N 2.96Å; R405-R408 PolarHBondContact O-N 3.27Å; Q406-R408 VanDerWaalsContact C-N 3.33Å; Q406-R408 PolarHBondContact O-N 3.44Å; R408-T410 VanDerWaalsContact C-N 3.34Å; R408-T410 PolarHBondContact O-N 2.83Å; R408-M411 PolarHBondContact O-N 2.89Å; R408-F412 WeakPolarHBondContact O-CB 3.11Å; R408-F412 PolarHBondContact O-N 3.48Å; R408-S435 PolarHBondContact NH1-O 3.45Å; R408-L436 HydrophobicContact CB-CD2 3.91Å; R408-L436 HydrophobicContact CG-CD2 4.16Å; R408-D438 IonicContact CZ-OD1 2.63Å; R408-D438 IonicContact CZ-OD2 2.68Å; R408-D438 IonicContact NH1-OD1 3.52Å; R408-D438 PolarHBondContact NH1-OD1 2.82Å; R408-D438 IonicContact NH1-OD2 2.81Å; R408-D438 VanDerWaalsContact NH2-CG 3.34Å; R408-D438 IonicContact NH2-OD1 2.77Å; R408-D438 PolarHBondContact NH2-OD1 3.26Å; R408-D438 IonicContact NH2-OD2 3.87Å; R408-D438 PolarHBondContact NH2-OD2 2.92Å
409	E	95.5	Very high	96.6	Very high	68 Å²	68	47.6 Å²	47.6	32%	0.318	24%	0.24	S	C	.	.	H	α-helix	trans	-59.6	-44.5	177.4	-74.5	170.9	-173.9	0	0	111.3	R405 Q406 F412 R413	R405-E409 WeakPolarHBondContact CD-OE1 3.39Å; R405-E409 HydrophobicContact CG-CG 4.39Å; R405-E409 WeakPolarHBondContact CG-OE1 3.48Å; R405-E409 IonicContact CZ-OE1 2.67Å; R405-E409 IonicContact CZ-OE2 2.67Å; R405-E409 IonicContact NH1-OE1 2.92Å; R405-E409 PolarHBondContact NH1-OE1 2.74Å; R405-E409 IonicContact NH1-OE2 3.66Å; R405-E409 PolarHBondContact NH1-OE2 3.36Å; R405-E409 WeakPolarHBondContact O-CB 3.45Å; R405-E409 WeakPolarHBondContact O-CG 3.08Å; R405-E409 PolarHBondContact O-N 3.03Å; Q406-E409 PolarHBondContact O-N 3.25Å; E409-F412 PolarHBondContact O-N 3.24Å; E409-R413 VanDerWaalsContact O-CB 3.3Å; E409-R413 WeakPolarHBondContact O-CB 3.46Å; E409-R413 PolarHBondContact O-N 3.45Å
410	T	96.4	Very high	96.8	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.031	22%	0.224	C	C	.	.	H	α-helix	trans	-65.6	-44.7	179.3	-66.3	0	0	0	0	111.9	L352 Q406 V407 R408 F412 R413 T414 L465 I467	L352-T410 HydrophobicContact CD1-CG2 3.97Å; L352-T410 HydrophobicContact CD2-CG2 4Å; Q406-T410 VanDerWaalsContact O-CB 3.23Å; Q406-T410 WeakPolarHBondContact O-CB 3.42Å; Q406-T410 PolarHBondContact O-N 3.15Å; Q406-T410 PolarHBondContact O-OG1 3.43Å; V407-T410 PolarHBondContact O-N 2.86Å; R408-T410 VanDerWaalsContact C-N 3.34Å; R408-T410 PolarHBondContact O-N 2.83Å; T410-F412 VanDerWaalsContact C-N 3.3Å; T410-F412 PolarHBondContact O-N 2.86Å; T410-R413 PolarHBondContact O-N 2.87Å; T410-R413 PolarHBondContact OG1-NH2 3.38Å; T410-T414 HydrophobicContact CG2-CG2 4.22Å; T410-T414 WeakPolarHBondContact O-CB 3.28Å; T410-T414 VanDerWaalsContact O-CG2 3.31Å; T410-T414 WeakPolarHBondContact O-CG2 3.3Å; T410-T414 PolarHBondContact O-N 3.4Å; T410-T414 PolarHBondContact O-OG1 3.48Å; T410-L465 HydrophobicContact CG2-CD2 3.3Å; T410-L465 HydrophobicContact CG2-CG 4.47Å; T410-I467 HydrophobicContact CG2-CD1 4.24Å
411	M	96.2	Very high	96.9	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66.9	-32.1	176.8	-68.3	-168.7	79.5	0	0	112.6	L352 V407 R408 G415 L416 R417 L419 L436 L439 V443	L352-M411 HydrophobicContact CD2-CG 3.62Å; L352-M411 HydrophobicContact CD2-SD 4.4Å; V407-M411 HydrophobicContact CG1-CG 4.39Å; V407-M411 HydrophobicContact CG1-SD 4.09Å; V407-M411 WeakPolarHBondContact O-CB 3.12Å; V407-M411 VanDerWaalsContact O-CG 3.27Å; V407-M411 WeakPolarHBondContact O-CG 3.23Å; V407-M411 PolarHBondContact O-N 3.38Å; R408-M411 PolarHBondContact O-N 2.89Å; M411-G415 PolarHBondContact O-N 3.08Å; M411-G415 VanDerWaalsContact O-N 3.14Å; M411-L416 WeakPolarHBondContact CE-O 3.25Å; M411-R417 PolarHBondContact O-NH1 3.23Å; M411-L419 HydrophobicContact CE-CB 4.32Å; M411-L419 HydrophobicContact SD-CB 4.2Å; M411-L436 HydrophobicContact SD-CD1 3.79Å; M411-L436 HydrophobicContact SD-CD2 4.38Å; M411-L439 HydrophobicContact CB-CD1 4.13Å; M411-V443 HydrophobicContact CE-CB 4.45Å; M411-V443 HydrophobicContact CE-CG1 3.41Å; M411-V443 VanDerWaalsContact CE-CG1 3.41Å; M411-V443 HydrophobicContact CE-CG2 4.14Å; M411-V443 HydrophobicContact SD-CG1 4.1Å
412	F	94.1	Very high	96.9	Very high	152 Å²	152	36.8 Å²	36.8	67%	0.667	17%	0.174	S	C	*	.	H	α-helix	trans	-67.2	-51.3	172.1	-172.9	-93.6	0	0	0	111.1	R408 E409 T410 T414 L439	R408-F412 WeakPolarHBondContact O-CB 3.11Å; R408-F412 PolarHBondContact O-N 3.48Å; E409-F412 PolarHBondContact O-N 3.24Å; T410-F412 VanDerWaalsContact C-N 3.3Å; T410-F412 PolarHBondContact O-N 2.86Å; F412-T414 PolarHBondContact O-N 3.2Å; F412-L439 HydrophobicContact CD2-CD2 4.32Å
413	R	94.3	Very high	96.9	Very high	108 Å²	108	36.5 Å²	36.5	41%	0.408	17%	0.173	S	C	.	.	H	α-helix	trans	-61.4	-40.7	-178.9	-179.9	-179.4	65.3	-154.9	-7.4	113.2	E409 T410 E490 Y496	E409-R413 VanDerWaalsContact O-CB 3.3Å; E409-R413 WeakPolarHBondContact O-CB 3.46Å; E409-R413 PolarHBondContact O-N 3.45Å; T410-R413 PolarHBondContact O-N 2.87Å; T410-R413 PolarHBondContact OG1-NH2 3.38Å; R413-E490 IonicContact CZ-OE1 2.81Å; R413-E490 IonicContact NH2-OE1 2.87Å; R413-E490 PolarHBondContact NH2-OE1 2.96Å; R413-E490 IonicContact NH2-OE2 3.39Å; R413-E490 PolarHBondContact NH2-OE2 2.92Å; R413-Y496 PolarHBondContact NH1-O 3.38Å
414	T	95.1	Very high	96.3	Very high	58 Å²	58	40.1 Å²	40.1	36%	0.356	19%	0.19	S	C	.	.	H	α-helix	trans	-91.3	-15.4	-174.1	58.3	0	0	0	0	113.9	T410 F412 L416 L465	T410-T414 HydrophobicContact CG2-CG2 4.22Å; T410-T414 WeakPolarHBondContact O-CB 3.28Å; T410-T414 VanDerWaalsContact O-CG2 3.31Å; T410-T414 WeakPolarHBondContact O-CG2 3.3Å; T410-T414 PolarHBondContact O-N 3.4Å; T410-T414 PolarHBondContact O-OG1 3.48Å; F412-T414 PolarHBondContact O-N 3.2Å; T414-L416 HydrophobicContact CG2-CD1 4.46Å; T414-L416 PolarHBondContact O-N 3.1Å; T414-L416 WeakPolarHBondContact OG1-CD1 3.36Å; T414-L416 VanDerWaalsContact OG1-CG 3.32Å; T414-L416 WeakPolarHBondContact OG1-CG 3.1Å; T414-L416 PolarHBondContact OG1-N 3.05Å; T414-L465 HydrophobicContact CG2-CD2 3.88Å
415	G	95.4	Very high	96	Very high	46 Å²	46	45.6 Å²	45.6	47%	0.474	21%	0.209	S	C	.	.			trans	72.6	4	-172.5	0	0	0	0	0	114.6	M411 R417	M411-G415 PolarHBondContact O-N 3.08Å; M411-G415 VanDerWaalsContact O-N 3.14Å; G415-R417 VanDerWaalsContact C-NH1 3.33Å; G415-R417 PolarHBondContact O-NH1 3.3Å
416	L	97	Very high	95.9	Very high	16 Å²	16	43.3 Å²	43.3	8%	0.084	21%	0.206	C	C	.	.			trans	-63	141	178.3	-64.9	170.5	0	0	0	111	P350 L352 M411 T414 L465	P350-L416 HydrophobicContact CB-CD2 3.62Å; L352-L416 HydrophobicContact CB-CD1 3.93Å; M411-L416 WeakPolarHBondContact CE-O 3.25Å; T414-L416 HydrophobicContact CG2-CD1 4.46Å; T414-L416 PolarHBondContact O-N 3.1Å; T414-L416 WeakPolarHBondContact OG1-CD1 3.36Å; T414-L416 VanDerWaalsContact OG1-CG 3.32Å; T414-L416 WeakPolarHBondContact OG1-CG 3.1Å; T414-L416 PolarHBondContact OG1-N 3.05Å; L416-L465 HydrophobicContact CD1-CB 4.26Å
417	R	97.6	Very high	95.9	Very high	57 Å²	57	43.1 Å²	43.1	22%	0.215	21%	0.205	C	C	.	.			trans	-126.5	10.8	-179.7	-66.2	-62.6	179	-86.6	-2.3	113.8	M411 G415 P440 G442 V443 V444	M411-R417 PolarHBondContact O-NH1 3.23Å; G415-R417 VanDerWaalsContact C-NH1 3.33Å; G415-R417 PolarHBondContact O-NH1 3.3Å; R417-P440 PolarHBondContact NE-O 2.9Å; R417-G442 WeakPolarHBondContact CD-O 3.47Å; R417-V443 WeakPolarHBondContact O-CA 3.28Å; R417-V444 PolarHBondContact O-N 2.71Å
418	V	98.5	Very high	95.9	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129.2	173.2	-174.7	0	0	0	0	108.2	L346 R349 F351 L352 V444	L346-V418 HydrophobicContact CB-CG1 4.04Å; L346-V418 HydrophobicContact CD2-CG1 3.74Å; L346-V418 HydrophobicContact CG-CG1 4.35Å; R349-V418 HydrophobicContact CB-CG2 3.9Å; R349-V418 VanDerWaalsContact NH2-CG2 3.34Å; F351-V418 CarbonylContact C-O 3.53Å; F351-V418 VanDerWaalsContact CA-O 3.32Å; F351-V418 WeakPolarHBondContact CA-O 3.28Å; F351-V418 HydrophobicContact CB-CB 3.61Å; F351-V418 HydrophobicContact CB-CG1 3.64Å; F351-V418 WeakPolarHBondContact CB-O 3.42Å; L352-V418 PolarHBondContact N-O 3.17Å; V418-V444 CarbonylContact C-O 3.58Å; V418-V444 WeakPolarHBondContact CA-O 3.22Å; V418-V444 HydrophobicContact CG1-CB 4.47Å; V418-V444 HydrophobicContact CG1-CG1 4.44Å; V418-V444 HydrophobicContact CG2-CB 4.32Å
419	L	98.8	Very high	96	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	116.9	177.7	175.5	61.5	0	0	0	108.6	L352 I354 V407 M411 V421 F432 L436 V443 V444 I445 K446	L352-L419 HydrophobicContact CB-CD1 4.21Å; L352-L419 HydrophobicContact CD2-CD1 4.06Å; L352-L419 HydrophobicContact CG-CD1 4.02Å; L352-L419 CarbonylContact O-C 3.6Å; L352-L419 WeakPolarHBondContact O-CA 3.14Å; I354-L419 HydrophobicContact CD1-CD1 4.1Å; I354-L419 HydrophobicContact CG1-CD1 4.05Å; I354-L419 HydrophobicContact CG2-CD1 3.86Å; V407-L419 HydrophobicContact CG1-CD1 4.27Å; V407-L419 HydrophobicContact CG1-CD2 3.85Å; M411-L419 HydrophobicContact CE-CB 4.32Å; M411-L419 HydrophobicContact SD-CB 4.2Å; L419-V421 HydrophobicContact CD1-CG2 4.44Å; L419-V421 HydrophobicContact CD2-CG2 4.13Å; L419-V421 HydrophobicContact CG-CG2 3.9Å; L419-F432 HydrophobicContact CD2-CB 4.12Å; L419-F432 HydrophobicContact CD2-CD1 4Å; L419-F432 HydrophobicContact CD2-CD2 4.14Å; L419-F432 HydrophobicContact CD2-CE1 4.48Å; L419-F432 HydrophobicContact CD2-CG 3.83Å; L419-L436 HydrophobicContact CD2-CD1 3.95Å; L419-V443 HydrophobicContact CB-CG1 4.46Å; L419-V444 PolarHBondContact N-O 3.41Å; L419-I445 HydrophobicContact CB-CG1 4.34Å; L419-I445 HydrophobicContact CD2-CG1 4.41Å; L419-I445 HydrophobicContact CD2-CG2 4.13Å; L419-I445 HydrophobicContact CG-CG2 4.4Å; L419-I445 WeakPolarHBondContact O-CA 3.45Å; L419-K446 PolarHBondContact O-N 2.92Å
420	F	98.8	Very high	96.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	126.5	167.7	176	-104.9	0	0	0	109.5	F341 L346 F351 L352 G353 I354 A422 K446 R448 I459 L460	F341-F420 HydrophobicContact CD1-CE2 4.44Å; F341-F420 AromaticContact CE1-CD2 3.55Å; F341-F420 HydrophobicContact CE1-CD2 3.55Å; F341-F420 AromaticContact CE1-CE2 3.53Å; F341-F420 HydrophobicContact CE1-CE2 3.53Å; F341-F420 AromaticContact CZ-CD2 3.91Å; F341-F420 HydrophobicContact CZ-CD2 3.91Å; F341-F420 AromaticContact CZ-CE2 3.68Å; F341-F420 HydrophobicContact CZ-CE2 3.68Å; L346-F420 HydrophobicContact CD1-CB 4.29Å; F351-F420 HydrophobicContact CD2-CB 3.77Å; F351-F420 HydrophobicContact CE2-CB 3.97Å; L352-F420 PolarHBondContact O-N 3.34Å; G353-F420 CarbonylContact C-O 3.59Å; G353-F420 WeakPolarHBondContact CA-O 3.16Å; I354-F420 PolarHBondContact N-O 2.87Å; F420-A422 HydrophobicContact CE1-CB 4.08Å; F420-K446 CarbonylContact C-O 3.27Å; F420-K446 WeakPolarHBondContact CA-O 3.34Å; F420-R448 HydrophobicContact CE2-CB 4.43Å; F420-I459 HydrophobicContact CB-CG2 4.46Å; F420-I459 HydrophobicContact CD1-CB 4.27Å; F420-I459 HydrophobicContact CD1-CG2 3.51Å; F420-I459 HydrophobicContact CD2-CG2 4.01Å; F420-I459 HydrophobicContact CE1-CB 3.87Å; F420-I459 HydrophobicContact CE1-CD1 4.48Å; F420-I459 HydrophobicContact CE1-CG2 3.6Å; F420-I459 HydrophobicContact CE2-CD1 3.99Å; F420-I459 HydrophobicContact CE2-CG2 4.08Å; F420-I459 HydrophobicContact CG-CG2 3.72Å; F420-I459 HydrophobicContact CZ-CB 4.06Å; F420-I459 HydrophobicContact CZ-CD1 3.8Å; F420-I459 HydrophobicContact CZ-CG2 3.89Å; F420-L460 HydrophobicContact CD1-CD2 3.83Å; F420-L460 HydrophobicContact CD1-CG 4.34Å; F420-L460 HydrophobicContact CE1-CD2 4.01Å; F420-L460 HydrophobicContact CE1-CG 4.08Å
421	V	98.7	Very high	96.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.8	179.4	-170.8	0	0	0	0	109.7	I354 L356 L419 H427 I429 F432 I445 K446	I354-V421 HydrophobicContact CD1-CB 4.43Å; I354-V421 HydrophobicContact CD1-CG1 4.01Å; I354-V421 HydrophobicContact CD1-CG2 3.94Å; I354-V421 HydrophobicContact CG1-CB 4.15Å; I354-V421 HydrophobicContact CG1-CG1 3.93Å; I354-V421 HydrophobicContact CG1-CG2 3.99Å; L356-V421 HydrophobicContact CD1-CG1 3.77Å; L356-V421 HydrophobicContact CG-CG1 4.11Å; L419-V421 HydrophobicContact CD1-CG2 4.44Å; L419-V421 HydrophobicContact CD2-CG2 4.13Å; L419-V421 HydrophobicContact CG-CG2 3.9Å; V421-H427 HydrophobicContact CG1-CB 4.32Å; V421-H427 WeakPolarHBondContact CG1-O 3.46Å; V421-H427 PolarHBondContact O-CD2 3.45Å; V421-I429 HydrophobicContact CB-CD1 4.39Å; V421-I429 HydrophobicContact CG2-CD1 4.21Å; V421-F432 HydrophobicContact CG1-CE2 4.23Å; V421-F432 HydrophobicContact CG2-CD2 3.95Å; V421-F432 HydrophobicContact CG2-CE2 3.89Å; V421-I445 HydrophobicContact CG2-CG2 4.34Å; V421-K446 PolarHBondContact N-O 2.89Å
422	A	98	Very high	96.3	Very high	3 Å²	3	42.9 Å²	42.9	3%	0.025	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.9	168.5	0	0	0	0	0	110.2	I354 H355 L356 F420 L460	I354-A422 PolarHBondContact O-N 3.42Å; H355-A422 WeakPolarHBondContact CA-O 3.46Å; L356-A422 PolarHBondContact N-O 3.29Å; F420-A422 HydrophobicContact CE1-CB 4.08Å; A422-L460 HydrophobicContact CB-CD1 3.81Å; A422-L460 HydrophobicContact CB-CD2 4.26Å; A422-L460 HydrophobicContact CB-CG 4.27Å
423	S	95.5	Very high	96.5	Very high	12 Å²	12	42 Å²	42	8%	0.084	22%	0.217	C	C	.	.			trans	-154.2	153.9	175.9	-174.8	0	0	0	0	110.7	N358 Y425 D426 H427	N358-S423 PolarHBondContact OD1-OG 2.83Å; S423-Y425 PolarHBondContact OG-N 3.2Å; S423-D426 WeakPolarHBondContact CB-O 2.96Å; S423-D426 PolarHBondContact OG-N 3.39Å; S423-D426 PolarHBondContact OG-O 2.72Å; S423-H427 PolarHBondContact N-NE2 2.78Å; S423-H427 PolarHBondContact O-CE1 3.47Å; S423-H427 PolarHBondContact O-NE2 3.19Å
424	E	86.7	Confident	96.6	Very high	86 Å²	86	42.6 Å²	42.6	40%	0.402	22%	0.224	S	C	.	.	S	Bend	trans	-90.8	-13.5	173.6	-66.7	-178.7	-147.2	0	0	112.4	R161 R357	R161-E424 IonicContact CZ-OE2 2.66Å; R161-E424 IonicContact NH1-OE1 3.28Å; R161-E424 IonicContact NH1-OE2 3.61Å; R161-E424 PolarHBondContact NH1-OE2 3.48Å; R357-E424 IonicContact CZ-OE1 2.76Å; R357-E424 IonicContact NH1-OE1 3.98Å; R357-E424 PolarHBondContact NH1-OE1 2.85Å
425	Y	91.3	Very high	96.7	Very high	143 Å²	143	41.2 Å²	41.2	56%	0.561	22%	0.217	S	C	*	.	S	Bend	trans	-136	-74.9	-172.9	-178.3	-112.8	0	0	0	111.8	L360 S423	L360-Y425 HydrophobicContact CD1-CD2 4.44Å; L360-Y425 HydrophobicContact CD1-CE2 4.04Å; L360-Y425 HydrophobicContact CD2-CD1 4.46Å; L360-Y425 HydrophobicContact CD2-CE1 3.92Å; L360-Y425 HydrophobicContact CD2-CE2 4.07Å; L360-Y425 HydrophobicContact CG-CD2 4.19Å; L360-Y425 HydrophobicContact CG-CE1 4.48Å; L360-Y425 HydrophobicContact CG-CE2 4.01Å; S423-Y425 PolarHBondContact OG-N 3.2Å
426	D	94.9	Very high	96.8	Very high	67 Å²	67	39.1 Å²	39.1	36%	0.358	20%	0.195	S	C	.	.			trans	-112.4	125.4	179.8	178.7	20	0	0	0	110.6	L356 N358 S423 M428	L356-D426 WeakPolarHBondContact CD1-O 3.49Å; N358-D426 PolarHBondContact ND2-O 2.64Å; N358-D426 PolarHBondContact OD1-O 3.12Å; S423-D426 WeakPolarHBondContact CB-O 2.96Å; S423-D426 PolarHBondContact OG-N 3.39Å; S423-D426 PolarHBondContact OG-O 2.72Å; D426-M428 PolarHBondContact OD1-N 3.33Å; D426-M428 WeakPolarHBondContact OD2-CG 3.45Å
427	H	97.4	Very high	96.8	Very high	5 Å²	5	45.1 Å²	45.1	2%	0.023	22%	0.22	C	C	.	.			trans	-91.5	-4.9	179	-71	75.4	0	0	0	113	V421 S423 I429 R447 D451	V421-H427 HydrophobicContact CG1-CB 4.32Å; V421-H427 WeakPolarHBondContact CG1-O 3.46Å; V421-H427 PolarHBondContact O-CD2 3.45Å; S423-H427 PolarHBondContact N-NE2 2.78Å; S423-H427 PolarHBondContact O-CE1 3.47Å; S423-H427 PolarHBondContact O-NE2 3.19Å; H427-I429 HydrophobicContact CB-CD1 4.03Å; H427-I429 HydrophobicContact CB-CG1 3.72Å; H427-I429 PolarHBondContact O-N 3.47Å; H427-R447 HydrophobicContact CB-CB 4.32Å; H427-R447 WeakPolarHBondContact CD2-CB 3.43Å; H427-R447 PolarHBondContact CE1-NH2 3.28Å; H427-R447 VanDerWaalsContact ND1-CZ 3.3Å; H427-R447 PolarHBondContact ND1-NH1 2.83Å; H427-D451 IonicContact CE1-OD1 3.73Å; H427-D451 PolarHBondContact CE1-OD1 2.97Å; H427-D451 IonicContact CE1-OD2 3.38Å; H427-D451 PolarHBondContact CE1-OD2 2.76Å; H427-D451 VanDerWaalsContact CE1-OD2 3.28Å; H427-D451 IonicContact NE2-OD1 2.59Å; H427-D451 PolarHBondContact NE2-OD1 3.39Å
428	M	97.6	Very high	96.6	Very high	10 Å²	10	46.9 Å²	46.9	5%	0.049	23%	0.234	C	C	.	.			trans	53.8	28.7	177.3	-59.8	177.1	62.2	0	0	113.5	L356 K400 I403 L404 D426 G430 E431 F432	L356-M428 HydrophobicContact CD1-CB 4.28Å; L356-M428 HydrophobicContact CD1-CG 3.94Å; L356-M428 HydrophobicContact CD1-SD 3.81Å; L356-M428 HydrophobicContact CD2-SD 4.23Å; K400-M428 HydrophobicContact CB-CE 4.27Å; K400-M428 HydrophobicContact CD-CE 4.36Å; K400-M428 HydrophobicContact CG-CE 3.83Å; I403-M428 HydrophobicContact CB-CE 4.49Å; I403-M428 HydrophobicContact CD1-SD 4.12Å; I403-M428 HydrophobicContact CG2-CE 4.16Å; I403-M428 HydrophobicContact CG2-SD 4.31Å; L404-M428 HydrophobicContact CD2-CE 4.38Å; L404-M428 HydrophobicContact CG-CE 4.46Å; D426-M428 PolarHBondContact OD1-N 3.33Å; D426-M428 WeakPolarHBondContact OD2-CG 3.45Å; M428-G430 VanDerWaalsContact C-N 3.3Å; M428-G430 PolarHBondContact O-N 3.17Å; M428-E431 WeakPolarHBondContact CA-OE2 3.34Å; M428-E431 HydrophobicContact CB-CB 4.21Å; M428-E431 HydrophobicContact CB-CG 4.5Å; M428-E431 HydrophobicContact CE-CB 4.4Å; M428-E431 HydrophobicContact CE-CG 4.38Å; M428-E431 WeakPolarHBondContact O-CB 3.38Å; M428-E431 PolarHBondContact O-N 2.96Å; M428-F432 HydrophobicContact CB-CD2 3.97Å; M428-F432 HydrophobicContact CB-CE2 3.69Å; M428-F432 HydrophobicContact CB-CZ 4.35Å; M428-F432 WeakPolarHBondContact O-CD2 3.37Å; M428-F432 PolarHBondContact O-N 3.14Å
429	I	98	Very high	96.4	Very high	34 Å²	34	47.2 Å²	47.2	17%	0.174	24%	0.236	C	C	.	.	H	α-helix	trans	-61.9	-40	-172.8	-60.7	-64.9	0	0	0	110.7	V421 H427 K433 I445 R447	V421-I429 HydrophobicContact CB-CD1 4.39Å; V421-I429 HydrophobicContact CG2-CD1 4.21Å; H427-I429 HydrophobicContact CB-CD1 4.03Å; H427-I429 HydrophobicContact CB-CG1 3.72Å; H427-I429 PolarHBondContact O-N 3.47Å; I429-K433 HydrophobicContact CG2-CD 4.25Å; I429-K433 WeakPolarHBondContact O-CB 3.25Å; I429-K433 VanDerWaalsContact O-CG 3.28Å; I429-K433 WeakPolarHBondContact O-CG 3.38Å; I429-K433 PolarHBondContact O-N 2.02Å; I429-I445 HydrophobicContact CD1-CG2 3.81Å; I429-I445 HydrophobicContact CG2-CG2 4.47Å; I429-R447 HydrophobicContact CD1-CB 4.1Å; I429-R447 HydrophobicContact CD1-CG 4.12Å; I429-R447 HydrophobicContact CG1-CG 4.21Å
430	G	97.8	Very high	95.9	Very high	49 Å²	49	51.7 Å²	51.7	51%	0.505	27%	0.265	S	S	.	.	H	α-helix	trans	-64.6	-43.9	177.5	0	0	0	0	0	112.1	M428 K433 Q434	M428-G430 VanDerWaalsContact C-N 3.3Å; M428-G430 PolarHBondContact O-N 3.17Å; G430-K433 PolarHBondContact O-N 3.16Å; G430-Q434 PolarHBondContact O-N 2.79Å
431	E	98.4	Very high	95.4	Very high	54 Å²	54	55.7 Å²	55.7	25%	0.252	31%	0.306	S	S	.	.	H	α-helix	trans	-61.4	-46.7	176.2	-71	74.8	-178.2	0	0	112.3	K400 L404 M428 Q434 S435	K400-E431 HydrophobicContact CD-CG 4.18Å; K400-E431 IonicContact NZ-OE1 3.52Å; K400-E431 PolarHBondContact NZ-OE1 3.2Å; L404-E431 HydrophobicContact CD1-CB 4.37Å; L404-E431 HydrophobicContact CD2-CB 3.9Å; M428-E431 WeakPolarHBondContact CA-OE2 3.34Å; M428-E431 HydrophobicContact CB-CB 4.21Å; M428-E431 HydrophobicContact CB-CG 4.5Å; M428-E431 HydrophobicContact CE-CB 4.4Å; M428-E431 HydrophobicContact CE-CG 4.38Å; M428-E431 WeakPolarHBondContact O-CB 3.38Å; M428-E431 PolarHBondContact O-N 2.96Å; E431-Q434 PolarHBondContact O-N 3.47Å; E431-S435 WeakPolarHBondContact O-CB 3.43Å; E431-S435 PolarHBondContact O-N 2.85Å
432	F	98.5	Very high	95.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-65.2	-41.3	177.6	-70.3	-54.8	0	0	0	111.3	I354 L356 I403 L404 V407 L419 V421 M428 Q434 S435 L436 I445	I354-F432 HydrophobicContact CD1-CE1 4.21Å; I354-F432 HydrophobicContact CD1-CE2 3.69Å; I354-F432 HydrophobicContact CD1-CZ 3.38Å; L356-F432 HydrophobicContact CD1-CE2 4.46Å; L356-F432 HydrophobicContact CD2-CZ 4.29Å; I403-F432 HydrophobicContact CG2-CE1 3.89Å; I403-F432 HydrophobicContact CG2-CZ 3.63Å; L404-F432 HydrophobicContact CD2-CD1 3.61Å; L404-F432 HydrophobicContact CD2-CE1 3.72Å; L404-F432 HydrophobicContact CD2-CG 4.41Å; V407-F432 HydrophobicContact CB-CD1 4.49Å; V407-F432 HydrophobicContact CB-CE1 3.99Å; V407-F432 HydrophobicContact CG1-CD1 4.14Å; V407-F432 HydrophobicContact CG1-CE1 4.04Å; V407-F432 HydrophobicContact CG2-CE1 3.74Å; V407-F432 HydrophobicContact CG2-CZ 4.24Å; L419-F432 HydrophobicContact CD2-CB 4.12Å; L419-F432 HydrophobicContact CD2-CD1 4Å; L419-F432 HydrophobicContact CD2-CD2 4.14Å; L419-F432 HydrophobicContact CD2-CE1 4.48Å; L419-F432 HydrophobicContact CD2-CG 3.83Å; V421-F432 HydrophobicContact CG1-CE2 4.23Å; V421-F432 HydrophobicContact CG2-CD2 3.95Å; V421-F432 HydrophobicContact CG2-CE2 3.89Å; M428-F432 HydrophobicContact CB-CD2 3.97Å; M428-F432 HydrophobicContact CB-CE2 3.69Å; M428-F432 HydrophobicContact CB-CZ 4.35Å; M428-F432 WeakPolarHBondContact O-CD2 3.37Å; M428-F432 PolarHBondContact O-N 3.14Å; F432-Q434 VanDerWaalsContact C-N 3.31Å; F432-Q434 PolarHBondContact O-N 3.33Å; F432-S435 PolarHBondContact O-N 3.09Å; F432-L436 HydrophobicContact CB-CD1 4.25Å; F432-L436 VanDerWaalsContact O-CB 3.27Å; F432-L436 WeakPolarHBondContact O-CB 3.5Å; F432-L436 VanDerWaalsContact O-CG 3.27Å; F432-L436 WeakPolarHBondContact O-CG 3.44Å; F432-L436 PolarHBondContact O-N 3.08Å; F432-I445 VanDerWaalsContact C-CD1 3.49Å; F432-I445 HydrophobicContact CB-CD1 3.79Å; F432-I445 HydrophobicContact CB-CG2 4.21Å
433	K	97.8	Very high	95.2	Very high	132 Å²	132	59 Å²	59	57%	0.574	34%	0.335	S	S	*	.	H	α-helix	trans	-56.4	-46.9	174.4	-79.4	177	178.6	-178	0	111.1	I429 G430 K437 I445	I429-K433 HydrophobicContact CG2-CD 4.25Å; I429-K433 WeakPolarHBondContact O-CB 3.25Å; I429-K433 VanDerWaalsContact O-CG 3.28Å; I429-K433 WeakPolarHBondContact O-CG 3.38Å; I429-K433 PolarHBondContact O-N 2.02Å; G430-K433 PolarHBondContact O-N 3.16Å; K433-K437 WeakPolarHBondContact O-CB 3.42Å; K433-K437 PolarHBondContact O-N 3.24Å; K433-I445 HydrophobicContact CB-CD1 4.31Å; K433-I445 HydrophobicContact CG-CD1 3.79Å
434	Q	97.7	Very high	95.3	Very high	121 Å²	121	60.3 Å²	60.3	57%	0.565	34%	0.342	S	S	*	.	H	α-helix	trans	-68.3	-41.5	179.1	-180	65.5	5.7	0	0	112.6	G430 E431 F432 L436 K437	G430-Q434 PolarHBondContact O-N 2.79Å; E431-Q434 PolarHBondContact O-N 3.47Å; F432-Q434 VanDerWaalsContact C-N 3.31Å; F432-Q434 PolarHBondContact O-N 3.33Å; Q434-L436 VanDerWaalsContact C-N 3.33Å; Q434-L436 PolarHBondContact O-N 3.44Å; Q434-K437 WeakPolarHBondContact O-CD 3.39Å; Q434-K437 WeakPolarHBondContact O-CG 3.31Å
435	S	97	Very high	95.9	Very high	29 Å²	29	57.3 Å²	57.3	20%	0.203	33%	0.328	C	S	.	.	H	α-helix	trans	-77.4	-15.2	-175	-172.8	0	0	0	0	113.9	R408 E431 F432	R408-S435 PolarHBondContact NH1-O 3.45Å; E431-S435 WeakPolarHBondContact O-CB 3.43Å; E431-S435 PolarHBondContact O-N 2.85Å; F432-S435 PolarHBondContact O-N 3.09Å
436	L	97.6	Very high	96.2	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.016	32%	0.316	C	S	.	.	H	α-helix	trans	-118.1	2.6	-176.6	-56.8	172.6	0	0	0	112.9	V407 R408 M411 L419 F432 Q434 D438 L439 V443 I445	V407-L436 HydrophobicContact CG1-CD1 4.15Å; V407-L436 HydrophobicContact CG1-CD2 4.47Å; R408-L436 HydrophobicContact CB-CD2 3.91Å; R408-L436 HydrophobicContact CG-CD2 4.16Å; M411-L436 HydrophobicContact SD-CD1 3.79Å; M411-L436 HydrophobicContact SD-CD2 4.38Å; L419-L436 HydrophobicContact CD2-CD1 3.95Å; F432-L436 HydrophobicContact CB-CD1 4.25Å; F432-L436 VanDerWaalsContact O-CB 3.27Å; F432-L436 WeakPolarHBondContact O-CB 3.5Å; F432-L436 VanDerWaalsContact O-CG 3.27Å; F432-L436 WeakPolarHBondContact O-CG 3.44Å; F432-L436 PolarHBondContact O-N 3.08Å; Q434-L436 VanDerWaalsContact C-N 3.33Å; Q434-L436 PolarHBondContact O-N 3.44Å; L436-D438 PolarHBondContact O-N 2.91Å; L436-D438 VanDerWaalsContact O-N 3.15Å; L436-L439 HydrophobicContact CB-CD1 4.24Å; L436-L439 HydrophobicContact CD2-CD1 3.68Å; L436-L439 WeakPolarHBondContact O-CB 3.43Å; L436-L439 PolarHBondContact O-N 3.4Å; L436-L439 VanDerWaalsContact O-N 3.11Å; L436-V443 HydrophobicContact CB-CB 4.4Å; L436-V443 HydrophobicContact CB-CG2 4.17Å; L436-V443 HydrophobicContact CD1-CG1 4.19Å; L436-I445 HydrophobicContact CD1-CD1 4.2Å
437	K	95.5	Very high	96.3	Very high	142 Å²	142	54.3 Å²	54.3	62%	0.617	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.8	-174.1	68.1	-173.9	179.8	179.5	0	115	K433 Q434	K433-K437 WeakPolarHBondContact O-CB 3.42Å; K433-K437 PolarHBondContact O-N 3.24Å; Q434-K437 WeakPolarHBondContact O-CD 3.39Å; Q434-K437 WeakPolarHBondContact O-CG 3.31Å
438	D	93.6	Very high	96.2	Very high	94 Å²	94	55.9 Å²	55.9	50%	0.503	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	2.1	-175.9	62.5	-42.3	0	0	0	112.8	R408 L436	R408-D438 IonicContact CZ-OD1 2.63Å; R408-D438 IonicContact CZ-OD2 2.68Å; R408-D438 IonicContact NH1-OD1 3.52Å; R408-D438 PolarHBondContact NH1-OD1 2.82Å; R408-D438 IonicContact NH1-OD2 2.81Å; R408-D438 VanDerWaalsContact NH2-CG 3.34Å; R408-D438 IonicContact NH2-OD1 2.77Å; R408-D438 PolarHBondContact NH2-OD1 3.26Å; R408-D438 IonicContact NH2-OD2 3.87Å; R408-D438 PolarHBondContact NH2-OD2 2.92Å; L436-D438 PolarHBondContact O-N 2.91Å; L436-D438 VanDerWaalsContact O-N 3.15Å
439	L	93.8	Very high	96.1	Very high	8 Å²	8	61.7 Å²	61.7	4%	0.042	35%	0.35	C	S	.	.	S	Bend	trans	-69.3	129.6	171	-72.4	-177.6	0	0	0	110.4	M411 F412 L436 G442 V443	M411-L439 HydrophobicContact CB-CD1 4.13Å; F412-L439 HydrophobicContact CD2-CD2 4.32Å; L436-L439 HydrophobicContact CB-CD1 4.24Å; L436-L439 HydrophobicContact CD2-CD1 3.68Å; L436-L439 WeakPolarHBondContact O-CB 3.43Å; L436-L439 PolarHBondContact O-N 3.4Å; L436-L439 VanDerWaalsContact O-N 3.11Å; L439-G442 PolarHBondContact O-N 3.45Å; L439-V443 HydrophobicContact CB-CG2 4.01Å; L439-V443 HydrophobicContact CD1-CG2 3.98Å
440	P	89.2	Confident	95.9	Very high	93 Å²	93	64.4 Å²	64.4	60%	0.604	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	138.6	-178.1	-25.5	33.2	0	0	0	113.1	R417 G442	R417-P440 PolarHBondContact NE-O 2.9Å; P440-G442 VanDerWaalsContact C-N 3.31Å
441	G	89.3	Confident	95.6	Very high	85 Å²	85	65.2 Å²	65.2	88%	0.876	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	-2.2	178.6	0	0	0	0	0	115.1
442	G	93.9	Very high	95.3	Very high	41 Å²	41	64.1 Å²	64.1	42%	0.423	36%	0.358	S	S	.	.			trans	73.3	153.3	-179.1	0	0	0	0	0	113.1	R417 L439 P440	R417-G442 WeakPolarHBondContact CD-O 3.47Å; L439-G442 PolarHBondContact O-N 3.45Å; P440-G442 VanDerWaalsContact C-N 3.31Å
443	V	97.7	Very high	95.1	Very high	32 Å²	32	65.8 Å²	65.8	19%	0.194	37%	0.372	C	S	.	.			trans	-118.5	128.4	-179.9	-177.9	0	0	0	0	110.2	M411 R417 L419 L436 L439 I445	M411-V443 HydrophobicContact CE-CB 4.45Å; M411-V443 HydrophobicContact CE-CG1 3.41Å; M411-V443 VanDerWaalsContact CE-CG1 3.41Å; M411-V443 HydrophobicContact CE-CG2 4.14Å; M411-V443 HydrophobicContact SD-CG1 4.1Å; R417-V443 WeakPolarHBondContact O-CA 3.28Å; L419-V443 HydrophobicContact CB-CG1 4.46Å; L436-V443 HydrophobicContact CB-CB 4.4Å; L436-V443 HydrophobicContact CB-CG2 4.17Å; L436-V443 HydrophobicContact CD1-CG1 4.19Å; L439-V443 HydrophobicContact CB-CG2 4.01Å; L439-V443 HydrophobicContact CD1-CG2 3.98Å; V443-I445 HydrophobicContact CB-CG1 4.49Å; V443-I445 HydrophobicContact CG1-CD1 4.48Å; V443-I445 HydrophobicContact CG1-CG1 3.81Å
444	V	97.8	Very high	95	Very high	39 Å²	39	60 Å²	60	24%	0.236	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	118.7	170.9	173.9	0	0	0	0	108.4	M347 R349 R417 V418 L419 K446	M347-V444 HydrophobicContact CE-CB 4.37Å; M347-V444 HydrophobicContact CE-CG1 4.26Å; M347-V444 HydrophobicContact CE-CG2 3.75Å; R349-V444 VanDerWaalsContact NH2-CG2 3.28Å; R417-V444 PolarHBondContact O-N 2.71Å; V418-V444 CarbonylContact C-O 3.58Å; V418-V444 WeakPolarHBondContact CA-O 3.22Å; V418-V444 HydrophobicContact CG1-CB 4.47Å; V418-V444 HydrophobicContact CG1-CG1 4.44Å; V418-V444 HydrophobicContact CG2-CB 4.32Å; L419-V444 PolarHBondContact N-O 3.41Å; V444-K446 HydrophobicContact CG1-CG 3.91Å
445	I	98.4	Very high	95	Very high	22 Å²	22	54.3 Å²	54.3	11%	0.113	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119.9	-178.1	-53.7	164	0	0	0	107.6	L419 V421 I429 F432 K433 L436 V443	L419-I445 HydrophobicContact CB-CG1 4.34Å; L419-I445 HydrophobicContact CD2-CG1 4.41Å; L419-I445 HydrophobicContact CD2-CG2 4.13Å; L419-I445 HydrophobicContact CG-CG2 4.4Å; L419-I445 WeakPolarHBondContact O-CA 3.45Å; V421-I445 HydrophobicContact CG2-CG2 4.34Å; I429-I445 HydrophobicContact CD1-CG2 3.81Å; I429-I445 HydrophobicContact CG2-CG2 4.47Å; F432-I445 VanDerWaalsContact C-CD1 3.49Å; F432-I445 HydrophobicContact CB-CD1 3.79Å; F432-I445 HydrophobicContact CB-CG2 4.21Å; K433-I445 HydrophobicContact CB-CD1 4.31Å; K433-I445 HydrophobicContact CG-CD1 3.79Å; L436-I445 HydrophobicContact CD1-CD1 4.2Å; V443-I445 HydrophobicContact CB-CG1 4.49Å; V443-I445 HydrophobicContact CG1-CD1 4.48Å; V443-I445 HydrophobicContact CG1-CG1 3.81Å
446	K	98.3	Very high	95	Very high	69 Å²	69	53.2 Å²	53.2	30%	0.3	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	144.1	-175.9	-67.8	-72	-173.5	161.3	0	110.6	F341 E345 L346 L419 F420 V421 V444	F341-K446 HydrophobicContact CZ-CB 4.34Å; E345-K446 HydrophobicContact CB-CD 4.44Å; E345-K446 HydrophobicContact CB-CG 4.48Å; E345-K446 WeakPolarHBondContact OE2-CE 3.32Å; E345-K446 IonicContact OE2-NZ 3.05Å; E345-K446 PolarHBondContact OE2-NZ 3.18Å; L346-K446 HydrophobicContact CD2-CB 3.77Å; L346-K446 HydrophobicContact CD2-CG 3.94Å; L419-K446 PolarHBondContact O-N 2.92Å; F420-K446 CarbonylContact C-O 3.27Å; F420-K446 WeakPolarHBondContact CA-O 3.34Å; V421-K446 PolarHBondContact N-O 2.89Å; V444-K446 HydrophobicContact CG1-CG 3.91Å
447	R	97.7	Very high	95.1	Very high	79 Å²	79	53.1 Å²	53.1	30%	0.298	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	165.3	161.9	54.6	166.7	-72.9	174.7	1.5	107.7	H427 I429 D451	H427-R447 HydrophobicContact CB-CB 4.32Å; H427-R447 WeakPolarHBondContact CD2-CB 3.43Å; H427-R447 PolarHBondContact CE1-NH2 3.28Å; H427-R447 VanDerWaalsContact ND1-CZ 3.3Å; H427-R447 PolarHBondContact ND1-NH1 2.83Å; I429-R447 HydrophobicContact CD1-CB 4.1Å; I429-R447 HydrophobicContact CD1-CG 4.12Å; I429-R447 HydrophobicContact CG1-CG 4.21Å; R447-D451 IonicContact CZ-OD1 3.36Å; R447-D451 IonicContact CZ-OD2 3.46Å; R447-D451 IonicContact NE-OD1 3.03Å; R447-D451 IonicContact NH2-OD1 3.52Å; R447-D451 PolarHBondContact NH2-OD1 3.49Å; R447-D451 IonicContact NH2-OD2 2.66Å; R447-D451 PolarHBondContact NH2-OD2 2.93Å
448	R	95.8	Very high	95.2	Very high	38 Å²	38	46.4 Å²	46.4	14%	0.143	28%	0.283	C	S	.	.			trans	-76.4	144.1	165.8	-163.6	-176.6	169.8	1.1	-3	109.3	F341 F420 P450	F341-R448 HydrophobicContact CE2-CB 4.35Å; F341-R448 HydrophobicContact CE2-CG 4.3Å; F420-R448 HydrophobicContact CE2-CB 4.43Å; R448-P450 VanDerWaalsContact CG-O 3.31Å; R448-P450 WeakPolarHBondContact CG-O 3.3Å; R448-P450 PolarHBondContact NE-O 3.17Å; R448-P450 PolarHBondContact NH1-O 3.38Å
449	D	93.9	Very high	95.4	Very high	131 Å²	131	41.9 Å²	41.9	70%	0.701	26%	0.259	S	S	*	.	S	Bend	trans	-145	122.7	169.6	-170.6	12.7	0	0	0	109
450	P	93.5	Very high	95.7	Very high	92 Å²	92	41.5 Å²	41.5	60%	0.597	26%	0.257	S	S	*	.	S	Bend	cis	-62.8	156.8	-10.7	30.3	-36.2	0	0	0	111.7	R448	R448-P450 VanDerWaalsContact CG-O 3.31Å; R448-P450 WeakPolarHBondContact CG-O 3.3Å; R448-P450 PolarHBondContact NE-O 3.17Å; R448-P450 PolarHBondContact NH1-O 3.38Å
451	D	92.1	Very high	96.1	Very high	65 Å²	65	37.3 Å²	37.3	35%	0.348	23%	0.23	S	C	.	.			trans	-64.4	139.6	175.2	-68	-36.8	0	0	0	111.5	H427 R447	H427-D451 IonicContact CE1-OD1 3.73Å; H427-D451 PolarHBondContact CE1-OD1 2.97Å; H427-D451 IonicContact CE1-OD2 3.38Å; H427-D451 PolarHBondContact CE1-OD2 2.76Å; H427-D451 VanDerWaalsContact CE1-OD2 3.28Å; H427-D451 IonicContact NE2-OD1 2.59Å; H427-D451 PolarHBondContact NE2-OD1 3.39Å; R447-D451 IonicContact CZ-OD1 3.36Å; R447-D451 IonicContact CZ-OD2 3.46Å; R447-D451 IonicContact NE-OD1 3.03Å; R447-D451 IonicContact NH2-OD1 3.52Å; R447-D451 PolarHBondContact NH2-OD1 3.49Å; R447-D451 IonicContact NH2-OD2 2.66Å; R447-D451 PolarHBondContact NH2-OD2 2.93Å
452	D	93.2	Very high	96.5	Very high	32 Å²	32	37.9 Å²	37.9	17%	0.171	21%	0.208	C	C	.	.			trans	-142.5	122	172	-179.2	-62.4	0	0	0	108.2	Q454 I455 S456	D452-Q454 PolarHBondContact OD1-N 2.82Å; D452-I455 HydrophobicContact CB-CB 4.1Å; D452-I455 HydrophobicContact CB-CD1 3.89Å; D452-I455 HydrophobicContact CB-CG1 4.21Å; D452-I455 WeakPolarHBondContact OD1-CG1 3.45Å; D452-I455 PolarHBondContact OD1-N 3.15Å; D452-S456 WeakPolarHBondContact O-CB 3.13Å; D452-S456 PolarHBondContact O-N 2.86Å; D452-S456 PolarHBondContact O-OG 3.48Å
453	A	93.3	Very high	96.7	Very high	34 Å²	34	36 Å²	36	28%	0.281	19%	0.188	S	C	.	.	H	α-helix	trans	-61.2	-48.2	-174.5	0	0	0	0	0	111.9	S456 L457 F474	A453-S456 PolarHBondContact O-N 2.71Å; A453-L457 VanDerWaalsContact O-CG 3.31Å; A453-L457 WeakPolarHBondContact O-CG 3.18Å; A453-L457 PolarHBondContact O-N 3.13Å; A453-F474 HydrophobicContact CB-CE2 3.93Å
454	Q	95.9	Very high	96.8	Very high	11 Å²	11	36.9 Å²	36.9	5%	0.051	20%	0.196	C	C	.	.	H	α-helix	trans	-73	-40.9	-174.2	-70.4	72.5	23.5	0	0	111.7	F162 F204 W330 I334 D452 S456 L457 C458	F162-Q454 VanDerWaalsContact CD2-NE2 3.32Å; F162-Q454 HydrophobicContact CE2-CG 4.18Å; F162-Q454 HydrophobicContact CZ-CG 4.27Å; F204-Q454 HydrophobicContact CD1-CG 3.9Å; F204-Q454 HydrophobicContact CD2-CG 3.96Å; F204-Q454 HydrophobicContact CE1-CG 3.92Å; F204-Q454 HydrophobicContact CE2-CG 4.02Å; F204-Q454 HydrophobicContact CG-CG 3.92Å; F204-Q454 HydrophobicContact CZ-CG 3.98Å; W330-Q454 HydrophobicContact CE3-CB 4.48Å; W330-Q454 HydrophobicContact CH2-CB 3.92Å; W330-Q454 HydrophobicContact CH2-CG 4.11Å; W330-Q454 HydrophobicContact CZ3-CB 3.63Å; W330-Q454 HydrophobicContact CZ3-CG 3.79Å; I334-Q454 HydrophobicContact CD1-CB 3.83Å; I334-Q454 HydrophobicContact CD1-CG 4.45Å; D452-Q454 PolarHBondContact OD1-N 2.82Å; Q454-S456 VanDerWaalsContact C-N 3.35Å; Q454-L457 PolarHBondContact O-N 3.31Å; Q454-C458 PolarHBondContact O-N 3.19Å
455	I	97.3	Very high	96.8	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-65.1	-42.3	175.1	-62	168.4	0	0	0	109.9	I334 Q337 C338 D452 L457 C458 I459	I334-I455 HydrophobicContact CG2-CG1 4.34Å; Q337-I455 HydrophobicContact CB-CD1 3.88Å; Q337-I455 HydrophobicContact CB-CG1 4.29Å; Q337-I455 HydrophobicContact CB-CG2 4.46Å; Q337-I455 HydrophobicContact CG-CD1 4.35Å; C338-I455 HydrophobicContact CB-CG2 4.48Å; D452-I455 HydrophobicContact CB-CB 4.1Å; D452-I455 HydrophobicContact CB-CD1 3.89Å; D452-I455 HydrophobicContact CB-CG1 4.21Å; D452-I455 WeakPolarHBondContact OD1-CG1 3.45Å; D452-I455 PolarHBondContact OD1-N 3.15Å; I455-L457 VanDerWaalsContact C-N 3.35Å; I455-L457 PolarHBondContact O-N 2.88Å; I455-C458 WeakPolarHBondContact O-CB 3.29Å; I455-C458 PolarHBondContact O-N 3.4Å; I455-I459 HydrophobicContact CG2-CD1 3.86Å; I455-I459 HydrophobicContact CG2-CG1 4.43Å; I455-I459 WeakPolarHBondContact O-CG1 3.45Å; I455-I459 PolarHBondContact O-N 2.83Å
456	S	98	Very high	96.8	Very high	7 Å²	7	34.5 Å²	34.5	5%	0.049	18%	0.182	C	C	.	.	H	α-helix	trans	-61.4	-41.8	176.2	-60.1	0	0	0	0	111.8	D452 A453 Q454 C458 I459 L460	D452-S456 WeakPolarHBondContact O-CB 3.13Å; D452-S456 PolarHBondContact O-N 2.86Å; D452-S456 PolarHBondContact O-OG 3.48Å; A453-S456 PolarHBondContact O-N 2.71Å; Q454-S456 VanDerWaalsContact C-N 3.35Å; S456-C458 PolarHBondContact O-N 2.93Å; S456-I459 PolarHBondContact O-N 3.37Å; S456-L460 WeakPolarHBondContact O-CB 3.16Å; S456-L460 VanDerWaalsContact O-CG 3.24Å; S456-L460 WeakPolarHBondContact O-CG 3.12Å; S456-L460 PolarHBondContact O-N 2.56Å
457	L	98.3	Very high	96.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.6	-43.6	173.7	-73.2	168.5	0	0	0	112.1	F162 W330 A453 Q454 I455 I459 L460 A461 F474 F477 A478	F162-L457 HydrophobicContact CD1-CD1 3.62Å; F162-L457 HydrophobicContact CE1-CD1 3.28Å; F162-L457 HydrophobicContact CZ-CD1 4.34Å; W330-L457 HydrophobicContact CH2-CB 4.09Å; W330-L457 HydrophobicContact CH2-CD1 4.26Å; W330-L457 HydrophobicContact CZ2-CB 3.68Å; A453-L457 VanDerWaalsContact O-CG 3.31Å; A453-L457 WeakPolarHBondContact O-CG 3.18Å; A453-L457 PolarHBondContact O-N 3.13Å; Q454-L457 PolarHBondContact O-N 3.31Å; I455-L457 VanDerWaalsContact C-N 3.35Å; I455-L457 PolarHBondContact O-N 2.88Å; L457-I459 VanDerWaalsContact C-N 3.33Å; L457-I459 PolarHBondContact O-N 2.96Å; L457-L460 PolarHBondContact O-N 3.3Å; L457-A461 WeakPolarHBondContact O-CB 3.32Å; L457-A461 PolarHBondContact O-N 3.22Å; L457-F474 HydrophobicContact CD1-CD2 4.01Å; L457-F474 HydrophobicContact CD1-CE2 3.62Å; L457-F474 HydrophobicContact CD1-CZ 3.98Å; L457-F474 HydrophobicContact CD2-CD1 3.66Å; L457-F474 HydrophobicContact CD2-CD2 4.14Å; L457-F474 HydrophobicContact CD2-CE1 3.4Å; L457-F474 HydrophobicContact CD2-CE2 3.9Å; L457-F474 HydrophobicContact CD2-CG 4.05Å; L457-F474 HydrophobicContact CD2-CZ 3.54Å; L457-F474 VanDerWaalsContact CD2-O 3.26Å; L457-F474 WeakPolarHBondContact CD2-O 3.22Å; L457-F474 HydrophobicContact CG-CD1 4.44Å; L457-F474 HydrophobicContact CG-CD2 4.26Å; L457-F474 HydrophobicContact CG-CE1 3.85Å; L457-F474 HydrophobicContact CG-CE2 3.63Å; L457-F474 HydrophobicContact CG-CZ 3.42Å; L457-F474 VanDerWaalsContact CG-CZ 3.42Å; L457-F477 HydrophobicContact CB-CD1 4.22Å; L457-F477 HydrophobicContact CD1-CB 4.49Å; L457-F477 HydrophobicContact CD1-CD1 3.92Å; L457-F477 HydrophobicContact CD1-CG 4.21Å; L457-F477 HydrophobicContact CD2-CB 4.28Å; L457-F477 HydrophobicContact CD2-CD1 4.14Å; L457-F477 HydrophobicContact CG-CD1 4.32Å; L457-A478 HydrophobicContact CD2-CB 3.97Å
458	C	98.5	Very high	96.8	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.007	15%	0.154	C	C	.	.	H	α-helix	trans	-60	-42.2	174.8	176.2	0	0	0	0	112.1	W330 I334 C338 Q454 I455 S456 A461 K462	W330-C458 HydrophobicContact CD2-CB 4.44Å; W330-C458 HydrophobicContact CG-CB 4.36Å; I334-C458 HydrophobicContact CG2-CB 4.12Å; C338-C458 HydrophobicContact CB-CB 3.68Å; C338-C458 WeakPolarHBondContact CB-SG 3.44Å; C338-C458 WeakPolarHBondContact SG-CB 3.4Å; C338-C458 PolarHBondContact SG-O 3.07Å; C338-C458 CovalentContact SG-SG 2.05Å; C338-C458 PolarHBondContact SG-SG 2.93Å; Q454-C458 PolarHBondContact O-N 3.19Å; I455-C458 WeakPolarHBondContact O-CB 3.29Å; I455-C458 PolarHBondContact O-N 3.4Å; S456-C458 PolarHBondContact O-N 2.93Å; C458-A461 PolarHBondContact O-N 3.18Å; C458-K462 WeakPolarHBondContact O-CG 3.46Å; C458-K462 PolarHBondContact O-N 3.48Å
459	I	98.7	Very high	96.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.3	-47.1	177.5	-64.1	160.3	0	0	0	110.2	C338 F341 I342 L346 F351 F420 I455 S456 L457 A461 K462 A463	C338-I459 HydrophobicContact CB-CG1 4.44Å; C338-I459 PolarHBondContact SG-N 2.93Å; F341-I459 HydrophobicContact CB-CD1 4.11Å; F341-I459 HydrophobicContact CD1-CD1 3.44Å; F341-I459 VanDerWaalsContact CD1-CD1 3.44Å; F341-I459 HydrophobicContact CD1-CG1 4.16Å; F341-I459 HydrophobicContact CD1-CG2 4.5Å; F341-I459 HydrophobicContact CE1-CD1 3.96Å; F341-I459 HydrophobicContact CG-CD1 3.76Å; I342-I459 HydrophobicContact CG1-CG1 4.49Å; I342-I459 HydrophobicContact CG1-CG2 4.33Å; L346-I459 HydrophobicContact CD1-CG2 4.29Å; F351-I459 HydrophobicContact CE2-CG2 3.78Å; F351-I459 HydrophobicContact CZ-CG2 3.8Å; F351-I459 VanDerWaalsContact CZ-O 3.28Å; F351-I459 WeakPolarHBondContact CZ-O 3.44Å; F420-I459 HydrophobicContact CB-CG2 4.46Å; F420-I459 HydrophobicContact CD1-CB 4.27Å; F420-I459 HydrophobicContact CD1-CG2 3.51Å; F420-I459 HydrophobicContact CD2-CG2 4.01Å; F420-I459 HydrophobicContact CE1-CB 3.87Å; F420-I459 HydrophobicContact CE1-CD1 4.48Å; F420-I459 HydrophobicContact CE1-CG2 3.6Å; F420-I459 HydrophobicContact CE2-CD1 3.99Å; F420-I459 HydrophobicContact CE2-CG2 4.08Å; F420-I459 HydrophobicContact CG-CG2 3.72Å; F420-I459 HydrophobicContact CZ-CB 4.06Å; F420-I459 HydrophobicContact CZ-CD1 3.8Å; F420-I459 HydrophobicContact CZ-CG2 3.89Å; I455-I459 HydrophobicContact CG2-CD1 3.86Å; I455-I459 HydrophobicContact CG2-CG1 4.43Å; I455-I459 WeakPolarHBondContact O-CG1 3.45Å; I455-I459 PolarHBondContact O-N 2.83Å; S456-I459 PolarHBondContact O-N 3.37Å; L457-I459 VanDerWaalsContact C-N 3.33Å; L457-I459 PolarHBondContact O-N 2.96Å; I459-A461 VanDerWaalsContact C-N 3.3Å; I459-A461 PolarHBondContact O-N 3.23Å; I459-K462 PolarHBondContact O-N 2.86Å; I459-A463 PolarHBondContact O-N 2.83Å
460	L	98.7	Very high	97	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.3	-39.7	177.5	-68.2	171	0	0	0	112.2	H355 F420 A422 S456 L457 K462 A463 Y466 F474 A478 R482	H355-L460 HydrophobicContact CB-CD1 4.09Å; F420-L460 HydrophobicContact CD1-CD2 3.83Å; F420-L460 HydrophobicContact CD1-CG 4.34Å; F420-L460 HydrophobicContact CE1-CD2 4.01Å; F420-L460 HydrophobicContact CE1-CG 4.08Å; A422-L460 HydrophobicContact CB-CD1 3.81Å; A422-L460 HydrophobicContact CB-CD2 4.26Å; A422-L460 HydrophobicContact CB-CG 4.27Å; S456-L460 WeakPolarHBondContact O-CB 3.16Å; S456-L460 VanDerWaalsContact O-CG 3.24Å; S456-L460 WeakPolarHBondContact O-CG 3.12Å; S456-L460 PolarHBondContact O-N 2.56Å; L457-L460 PolarHBondContact O-N 3.3Å; L460-K462 PolarHBondContact O-N 2.78Å; L460-A463 WeakPolarHBondContact O-CB 3.34Å; L460-A463 PolarHBondContact O-N 3.34Å; L460-Y466 HydrophobicContact CB-CD2 4.25Å; L460-Y466 HydrophobicContact CB-CE2 4.27Å; L460-Y466 HydrophobicContact CD1-CE2 4.01Å; L460-Y466 HydrophobicContact CD2-CD2 3.87Å; L460-Y466 HydrophobicContact CD2-CE2 3.84Å; L460-Y466 HydrophobicContact CG-CD2 4.49Å; L460-Y466 HydrophobicContact CG-CE2 4.26Å; L460-F474 HydrophobicContact CD1-CE1 4.23Å; L460-A478 HydrophobicContact CB-CB 4.06Å; L460-R482 PolarHBondContact O-NH1 3.31Å; L460-R482 VanDerWaalsContact O-NH1 3.1Å
461	A	98.2	Very high	97.1	Very high	4 Å²	4	15 Å²	15	3%	0.033	9%	0.085	C	C	.	.	H	α-helix	trans	-63	-27.2	176.3	0	0	0	0	0	112.7	L457 C458 I459 E481 R482	L457-A461 WeakPolarHBondContact O-CB 3.32Å; L457-A461 PolarHBondContact O-N 3.22Å; C458-A461 PolarHBondContact O-N 3.18Å; I459-A461 VanDerWaalsContact C-N 3.3Å; I459-A461 PolarHBondContact O-N 3.23Å; A461-E481 HydrophobicContact CB-CB 4.06Å; A461-E481 VanDerWaalsContact CB-CD 3.41Å; A461-E481 HydrophobicContact CB-CG 3.82Å; A461-R482 PolarHBondContact O-NH1 3.17Å
462	K	97.8	Very high	97.2	Very high	97 Å²	97	12 Å²	12	42%	0.422	7%	0.069	S	C	.	.	H	α-helix	trans	-90.8	-5.4	178.2	-69.1	179.8	-177.5	-62.1	0	114.8	C338 I342 F351 C458 I459 L460	C338-K462 VanDerWaalsContact SG-CE 3.6Å; I342-K462 HydrophobicContact CD1-CB 3.75Å; I342-K462 HydrophobicContact CD1-CD 3.41Å; I342-K462 VanDerWaalsContact CD1-CD 3.41Å; I342-K462 HydrophobicContact CD1-CG 4.23Å; F351-K462 HydrophobicContact CZ-CB 4.43Å; C458-K462 WeakPolarHBondContact O-CG 3.46Å; C458-K462 PolarHBondContact O-N 3.48Å; I459-K462 PolarHBondContact O-N 2.86Å; L460-K462 PolarHBondContact O-N 2.78Å
463	A	98.5	Very high	97.4	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.008	6%	0.064	C	C	.	.	S	Bend	trans	-61.1	150.9	179.1	0	0	0	0	0	112	F351 I459 L460 L465 R482	F351-A463 HydrophobicContact CD2-CB 3.84Å; F351-A463 HydrophobicContact CE2-CB 3.46Å; F351-A463 VanDerWaalsContact CE2-CB 3.46Å; F351-A463 VanDerWaalsContact CZ-CA 3.46Å; F351-A463 HydrophobicContact CZ-CB 3.92Å; I459-A463 PolarHBondContact O-N 2.83Å; L460-A463 WeakPolarHBondContact O-CB 3.34Å; L460-A463 PolarHBondContact O-N 3.34Å; A463-L465 VanDerWaalsContact C-N 3.32Å; A463-L465 VanDerWaalsContact CB-O 3.28Å; A463-L465 WeakPolarHBondContact CB-O 3.47Å; A463-R482 PolarHBondContact O-NH1 3.4Å; A463-R482 PolarHBondContact O-NH2 3.26Å; A463-R482 VanDerWaalsContact O-NH2 3.17Å
464	S	98.1	Very high	97.5	Very high	51 Å²	51	10.1 Å²	10.1	36%	0.357	5%	0.054	S	C	.	.	S	Bend	trans	-68.3	-38.2	174.9	-55.3	0	0	0	0	111	P350 F351 R482	P350-S464 WeakPolarHBondContact CA-OG 3.49Å; P350-S464 VanDerWaalsContact CB-OG 3.31Å; P350-S464 WeakPolarHBondContact CB-OG 3.41Å; F351-S464 PolarHBondContact N-OG 3.45Å; F351-S464 PolarHBondContact O-N 3.33Å; S464-R482 PolarHBondContact O-NH2 3.09Å
465	L	98.5	Very high	97.6	Very high	11 Å²	11	9.6 Å²	9.6	6%	0.058	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	146.3	168.6	-179	61	0	0	0	108.4	L352 G353 T410 T414 L416 A463 P488 E490	L352-L465 HydrophobicContact CD1-CB 4Å; L352-L465 HydrophobicContact CD1-CD2 4.21Å; L352-L465 HydrophobicContact CD1-CG 4.01Å; G353-L465 PolarHBondContact N-O 3.19Å; T410-L465 HydrophobicContact CG2-CD2 3.3Å; T410-L465 HydrophobicContact CG2-CG 4.47Å; T414-L465 HydrophobicContact CG2-CD2 3.88Å; L416-L465 HydrophobicContact CD1-CB 4.26Å; A463-L465 VanDerWaalsContact C-N 3.32Å; A463-L465 VanDerWaalsContact CB-O 3.28Å; A463-L465 WeakPolarHBondContact CB-O 3.47Å; L465-P488 HydrophobicContact CD1-CB 3.99Å; L465-P488 HydrophobicContact CD1-CG 3.91Å; L465-E490 HydrophobicContact CD1-CG 4.17Å
466	Y	98.6	Very high	97.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.5	-179.9	169.1	-128.8	0	0	0	110	G353 H355 L460 G468 S475 A478 R482 T489 E490	G353-Y466 CarbonylContact O-C 3.58Å; G353-Y466 VanDerWaalsContact O-CA 3.25Å; G353-Y466 WeakPolarHBondContact O-CA 3.22Å; G353-Y466 WeakPolarHBondContact O-CD2 3.03Å; H355-Y466 HydrophobicContact CB-CE2 3.92Å; L460-Y466 HydrophobicContact CB-CD2 4.25Å; L460-Y466 HydrophobicContact CB-CE2 4.27Å; L460-Y466 HydrophobicContact CD1-CE2 4.01Å; L460-Y466 HydrophobicContact CD2-CD2 3.87Å; L460-Y466 HydrophobicContact CD2-CE2 3.84Å; L460-Y466 HydrophobicContact CG-CD2 4.49Å; L460-Y466 HydrophobicContact CG-CE2 4.26Å; Y466-G468 WeakPolarHBondContact OH-CA 3.4Å; Y466-S475 WeakPolarHBondContact OH-CA 3.26Å; Y466-S475 VanDerWaalsContact OH-CB 3.3Å; Y466-S475 WeakPolarHBondContact OH-CB 3.44Å; Y466-A478 HydrophobicContact CD1-CB 4.42Å; Y466-A478 HydrophobicContact CE1-CB 3.84Å; Y466-R482 VanDerWaalsContact CB-NE 3.27Å; Y466-T489 HydrophobicContact CD1-CG2 3.47Å; Y466-T489 VanDerWaalsContact CD1-CG2 3.47Å; Y466-T489 HydrophobicContact CE1-CG2 3.91Å; Y466-T489 HydrophobicContact CG-CG2 4.4Å; Y466-E490 PolarHBondContact O-N 2.88Å
467	I	98.6	Very high	97.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	117.1	168.8	-50.2	172.3	0	0	0	109.8	L352 G353 I354 H355 T410 E490 W492	L352-I467 HydrophobicContact CD1-CD1 4.19Å; L352-I467 HydrophobicContact CD1-CG1 4.1Å; L352-I467 HydrophobicContact CD2-CD1 4.43Å; G353-I467 PolarHBondContact O-N 2.95Å; I354-I467 CarbonylContact C-O 3.59Å; I354-I467 VanDerWaalsContact CA-O 3.32Å; I354-I467 WeakPolarHBondContact CA-O 2.84Å; I354-I467 HydrophobicContact CG2-CB 4.09Å; I354-I467 HydrophobicContact CG2-CD1 4.34Å; I354-I467 HydrophobicContact CG2-CG1 4.4Å; H355-I467 PolarHBondContact N-O 2.97Å; T410-I467 HydrophobicContact CG2-CD1 4.24Å; I467-E490 VanDerWaalsContact CA-O 3.3Å; I467-E490 WeakPolarHBondContact CA-O 3.16Å; I467-E490 HydrophobicContact CG1-CB 4.15Å; I467-W492 HydrophobicContact CB-CE3 4.49Å; I467-W492 HydrophobicContact CB-CH2 3.95Å; I467-W492 HydrophobicContact CB-CZ2 4.14Å; I467-W492 HydrophobicContact CB-CZ3 4.14Å; I467-W492 HydrophobicContact CD1-CH2 4.29Å; I467-W492 HydrophobicContact CD1-CZ3 4.04Å; I467-W492 HydrophobicContact CG2-CD2 3.55Å; I467-W492 HydrophobicContact CG2-CE3 3.44Å; I467-W492 VanDerWaalsContact CG2-CE3 3.44Å; I467-W492 HydrophobicContact CG2-CG 4.3Å; I467-W492 HydrophobicContact CG2-CH2 3.76Å; I467-W492 HydrophobicContact CG2-CZ2 3.88Å; I467-W492 HydrophobicContact CG2-CZ3 3.54Å
468	G	98.2	Very high	97.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	166.6	179.3	0	0	0	0	0	113.7	Y466 E490 F491 W492	Y466-G468 WeakPolarHBondContact OH-CA 3.4Å; G468-E490 PolarHBondContact N-O 3.44Å; G468-F491 VanDerWaalsContact O-CA 3.31Å; G468-F491 WeakPolarHBondContact O-CA 3.45Å; G468-W492 VanDerWaalsContact O-CD1 3.27Å; G468-W492 PolarHBondContact O-N 2.92Å; G468-W492 VanDerWaalsContact O-N 3.08Å
469	N	97.2	Very high	97.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.057	C	C	.	.			trans	-79.6	128.1	163.8	-177.9	-72.8	0	0	0	110.4	R357 C396 I471 S472 S475	R357-N469 HydrophobicContact CB-CB 3.67Å; R357-N469 HydrophobicContact CG-CB 4.4Å; C396-N469 PolarHBondContact O-ND2 3.34Å; N469-I471 VanDerWaalsContact C-N 3.28Å; N469-I471 PolarHBondContact O-N 2.81Å; N469-I471 PolarHBondContact OD1-N 2.8Å; N469-S472 PolarHBondContact O-N 3.15Å; N469-S472 PolarHBondContact OD1-N 2.83Å; N469-S475 PolarHBondContact N-OG 3.06Å; N469-S475 WeakPolarHBondContact O-CB 3.42Å; N469-S475 PolarHBondContact O-OG 2.59Å
470	C	95.9	Very high	97.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.057	C	C	.	.	S	Bend	trans	-58.7	-32.9	-174	175.4	0	0	0	0	114.7	S378 Q380 C381 I395 F491	S378-C470 WeakPolarHBondContact CA-O 3.25Å; S378-C470 PolarHBondContact O-SG 2.88Å; S378-C470 VanDerWaalsContact O-SG 3.41Å; Q380-C470 VanDerWaalsContact CD-O 3.31Å; Q380-C470 WeakPolarHBondContact CG-O 3.08Å; Q380-C470 PolarHBondContact NE2-O 3.19Å; C381-C470 HydrophobicContact CB-CB 3.74Å; C381-C470 WeakPolarHBondContact CB-SG 2.97Å; C381-C470 WeakPolarHBondContact SG-CB 3.45Å; C381-C470 CovalentContact SG-SG 2Å; C381-C470 PolarHBondContact SG-SG 3.49Å; I395-C470 HydrophobicContact CG2-CB 3.52Å; C470-F491 HydrophobicContact CB-CB 4.43Å; C470-F491 HydrophobicContact CB-CD1 4.34Å
471	I	94.9	Very high	97.5	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	-91.9	-30.9	-172	-59.9	-176.9	0	0	0	110.8	W362 I375 F376 D377 M391 C396 N469 T473	W362-I471 HydrophobicContact CH2-CG2 4.23Å; W362-I471 HydrophobicContact CZ2-CB 4.21Å; W362-I471 HydrophobicContact CZ2-CG2 4.21Å; I375-I471 HydrophobicContact CB-CG2 4.35Å; I375-I471 HydrophobicContact CG2-CG2 4Å; F376-I471 HydrophobicContact CB-CG2 3.81Å; F376-I471 WeakPolarHBondContact CB-O 3.33Å; F376-I471 HydrophobicContact CD2-CG2 3.62Å; F376-I471 HydrophobicContact CG-CG2 4.19Å; D377-I471 PolarHBondContact N-O 2.74Å; M391-I471 HydrophobicContact CE-CD1 3.62Å; M391-I471 HydrophobicContact CE-CG1 3.79Å; M391-I471 HydrophobicContact SD-CD1 3.55Å; M391-I471 VanDerWaalsContact SD-CD1 3.55Å; M391-I471 HydrophobicContact SD-CG1 4.18Å; C396-I471 VanDerWaalsContact CA-CD1 3.48Å; C396-I471 HydrophobicContact CB-CD1 3.44Å; C396-I471 VanDerWaalsContact CB-CD1 3.44Å; C396-I471 WeakPolarHBondContact SG-CD1 3.28Å; N469-I471 VanDerWaalsContact C-N 3.28Å; N469-I471 PolarHBondContact O-N 2.81Å; N469-I471 PolarHBondContact OD1-N 2.8Å; I471-T473 PolarHBondContact O-N 3.37Å
472	S	95.8	Very high	97.5	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.014	6%	0.058	C	C	.	.			trans	-67.2	120.8	-172.2	168.1	0	0	0	0	112.8	H355 N469 F474 S475 T476	H355-S472 PolarHBondContact CE1-OG 2.96Å; N469-S472 PolarHBondContact O-N 3.15Å; N469-S472 PolarHBondContact OD1-N 2.83Å; S472-F474 PolarHBondContact O-N 3.09Å; S472-F474 WeakPolarHBondContact OG-CB 3.31Å; S472-F474 PolarHBondContact OG-N 2.7Å; S472-S475 WeakPolarHBondContact CB-OG 3.46Å; S472-S475 WeakPolarHBondContact O-CA 3.49Å; S472-S475 WeakPolarHBondContact O-CB 3.5Å; S472-S475 PolarHBondContact O-N 3.29Å; S472-S475 PolarHBondContact OG-N 3.04Å; S472-S475 PolarHBondContact OG-OG 3.19Å; S472-T476 PolarHBondContact O-N 3.04Å; S472-T476 PolarHBondContact O-OG1 3.39Å
473	T	95.8	Very high	97.5	Very high	9 Å²	9	10.5 Å²	10.5	6%	0.055	6%	0.056	C	C	.	.	H	α-helix	trans	-64.2	-25.9	171.6	52.6	0	0	0	0	113.5	N164 E167 F315 F376 D377 I471 S475 T476 F477	N164-T473 PolarHBondContact N-OG1 2.8Å; N164-T473 WeakPolarHBondContact OD1-CB 3.43Å; N164-T473 WeakPolarHBondContact OD1-CG2 3.3Å; N164-T473 PolarHBondContact OD1-OG1 2.97Å; E167-T473 HydrophobicContact CG-CG2 3.83Å; F315-T473 HydrophobicContact CE2-CG2 3.9Å; F315-T473 HydrophobicContact CZ-CG2 3.64Å; F376-T473 HydrophobicContact CB-CG2 4.39Å; D377-T473 HydrophobicContact CB-CG2 4.16Å; I471-T473 PolarHBondContact O-N 3.37Å; T473-S475 VanDerWaalsContact C-N 3.27Å; T473-S475 PolarHBondContact O-N 3.4Å; T473-T476 PolarHBondContact O-N 2.78Å; T473-F477 PolarHBondContact O-N 3.42Å
474	F	95.8	Very high	97.4	Very high	17 Å²	17	12.2 Å²	12.2	8%	0.075	7%	0.066	C	C	.	.	H	α-helix	trans	-62.3	-39.1	168.3	-174.8	-83.9	0	0	0	110.7	H355 A453 L457 L460 S472 F477	H355-F474 AromaticContact CD2-CD1 3.83Å; H355-F474 AromaticContact CD2-CE1 3.9Å; H355-F474 AromaticContact CE1-CD1 3.41Å; H355-F474 VanDerWaalsContact CE1-CD1 3.41Å; H355-F474 WeakPolarHBondContact CE1-CD1 3.31Å; H355-F474 AromaticContact CG-CD1 3.9Å; H355-F474 AromaticContact ND1-CD1 3.65Å; H355-F474 AromaticContact NE2-CD1 3.56Å; H355-F474 AromaticContact NE2-CE1 3.99Å; A453-F474 HydrophobicContact CB-CE2 3.93Å; L457-F474 HydrophobicContact CD1-CD2 4.01Å; L457-F474 HydrophobicContact CD1-CE2 3.62Å; L457-F474 HydrophobicContact CD1-CZ 3.98Å; L457-F474 HydrophobicContact CD2-CD1 3.66Å; L457-F474 HydrophobicContact CD2-CD2 4.14Å; L457-F474 HydrophobicContact CD2-CE1 3.4Å; L457-F474 HydrophobicContact CD2-CE2 3.9Å; L457-F474 HydrophobicContact CD2-CG 4.05Å; L457-F474 HydrophobicContact CD2-CZ 3.54Å; L457-F474 VanDerWaalsContact CD2-O 3.26Å; L457-F474 WeakPolarHBondContact CD2-O 3.22Å; L457-F474 HydrophobicContact CG-CD1 4.44Å; L457-F474 HydrophobicContact CG-CD2 4.26Å; L457-F474 HydrophobicContact CG-CE1 3.85Å; L457-F474 HydrophobicContact CG-CE2 3.63Å; L457-F474 HydrophobicContact CG-CZ 3.42Å; L457-F474 VanDerWaalsContact CG-CZ 3.42Å; L460-F474 HydrophobicContact CD1-CE1 4.23Å; S472-F474 PolarHBondContact O-N 3.09Å; S472-F474 WeakPolarHBondContact OG-CB 3.31Å; S472-F474 PolarHBondContact OG-N 2.7Å; F474-F477 PolarHBondContact O-N 3.41Å
475	S	97.9	Very high	97.2	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-69	-39.5	175.9	-52.5	0	0	0	0	111	H355 Y466 N469 S472 T473 F477 A478 R479	H355-S475 PolarHBondContact ND1-OG 3.07Å; Y466-S475 WeakPolarHBondContact OH-CA 3.26Å; Y466-S475 VanDerWaalsContact OH-CB 3.3Å; Y466-S475 WeakPolarHBondContact OH-CB 3.44Å; N469-S475 PolarHBondContact N-OG 3.06Å; N469-S475 WeakPolarHBondContact O-CB 3.42Å; N469-S475 PolarHBondContact O-OG 2.59Å; S472-S475 WeakPolarHBondContact CB-OG 3.46Å; S472-S475 WeakPolarHBondContact O-CA 3.49Å; S472-S475 WeakPolarHBondContact O-CB 3.5Å; S472-S475 PolarHBondContact O-N 3.29Å; S472-S475 PolarHBondContact OG-N 3.04Å; S472-S475 PolarHBondContact OG-OG 3.19Å; T473-S475 VanDerWaalsContact C-N 3.27Å; T473-S475 PolarHBondContact O-N 3.4Å; S475-F477 VanDerWaalsContact C-N 3.26Å; S475-F477 PolarHBondContact O-N 3.4Å; S475-A478 PolarHBondContact O-N 2.76Å; S475-R479 PolarHBondContact O-N 3.43Å
476	T	97.6	Very high	97.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.4	-38.3	179.3	-36	0	0	0	0	111.6	D377 Q380 S472 T473 A478 R479 R480	D377-T476 WeakPolarHBondContact OD2-CB 3.13Å; D377-T476 WeakPolarHBondContact OD2-CG2 3.48Å; D377-T476 PolarHBondContact OD2-OG1 1.97Å; Q380-T476 HydrophobicContact CB-CG2 4.24Å; Q380-T476 PolarHBondContact NE2-OG1 2.81Å; Q380-T476 VanDerWaalsContact OE1-CA 3.31Å; Q380-T476 PolarHBondContact OE1-OG1 3.11Å; S472-T476 PolarHBondContact O-N 3.04Å; S472-T476 PolarHBondContact O-OG1 3.39Å; T473-T476 PolarHBondContact O-N 2.78Å; T476-A478 PolarHBondContact O-N 3.45Å; T476-R479 PolarHBondContact O-N 2.83Å; T476-R480 HydrophobicContact CG2-CG 4.18Å; T476-R480 PolarHBondContact O-N 3Å
477	F	98	Very high	97	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-54.7	-53.4	178	-174	-77.8	0	0	0	111.4	F162 A166 F205 L328 W330 L457 T473 F474 S475 R479 R480 E481	F162-F477 HydrophobicContact CE1-CD2 4.01Å; F162-F477 HydrophobicContact CE1-CE2 4.15Å; F162-F477 HydrophobicContact CE1-CG 4.26Å; F162-F477 HydrophobicContact CZ-CD2 4.45Å; F162-F477 HydrophobicContact CZ-CE2 4.15Å; F162-F477 HydrophobicContact CZ-CZ 4.49Å; A166-F477 HydrophobicContact CB-CD2 3.56Å; A166-F477 HydrophobicContact CB-CE2 3.91Å; F205-F477 HydrophobicContact CE1-CE2 4.42Å; F205-F477 AromaticContact CE1-CZ 3.78Å; F205-F477 HydrophobicContact CE1-CZ 3.78Å; F205-F477 AromaticContact CZ-CE2 3.87Å; F205-F477 HydrophobicContact CZ-CE2 3.87Å; F205-F477 AromaticContact CZ-CZ 3.58Å; F205-F477 HydrophobicContact CZ-CZ 3.58Å; L328-F477 HydrophobicContact CD1-CE2 4.09Å; W330-F477 AromaticContact CH2-CE1 3.82Å; W330-F477 HydrophobicContact CH2-CE1 3.82Å; W330-F477 AromaticContact CH2-CZ 3.96Å; W330-F477 HydrophobicContact CH2-CZ 3.96Å; W330-F477 HydrophobicContact CZ2-CD1 4.15Å; W330-F477 AromaticContact CZ2-CE1 3.26Å; W330-F477 HydrophobicContact CZ2-CE1 3.26Å; W330-F477 AromaticContact CZ2-CZ 3.75Å; W330-F477 HydrophobicContact CZ2-CZ 3.75Å; L457-F477 HydrophobicContact CB-CD1 4.22Å; L457-F477 HydrophobicContact CD1-CB 4.49Å; L457-F477 HydrophobicContact CD1-CD1 3.92Å; L457-F477 HydrophobicContact CD1-CG 4.21Å; L457-F477 HydrophobicContact CD2-CB 4.28Å; L457-F477 HydrophobicContact CD2-CD1 4.14Å; L457-F477 HydrophobicContact CG-CD1 4.32Å; T473-F477 PolarHBondContact O-N 3.42Å; F474-F477 PolarHBondContact O-N 3.41Å; S475-F477 VanDerWaalsContact C-N 3.26Å; S475-F477 PolarHBondContact O-N 3.4Å; F477-R479 VanDerWaalsContact C-N 3.34Å; F477-R479 PolarHBondContact O-N 3.14Å; F477-R480 PolarHBondContact O-N 2.89Å; F477-E481 PolarHBondContact O-N 3.05Å; F477-E481 VanDerWaalsContact O-N 3.09Å
478	A	98.1	Very high	96.9	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.9	-42.6	178	0	0	0	0	0	111.2	L457 L460 Y466 S475 T476 E481 R482	L457-A478 HydrophobicContact CD2-CB 3.97Å; L460-A478 HydrophobicContact CB-CB 4.06Å; Y466-A478 HydrophobicContact CD1-CB 4.42Å; Y466-A478 HydrophobicContact CE1-CB 3.84Å; S475-A478 PolarHBondContact O-N 2.76Å; T476-A478 PolarHBondContact O-N 3.45Å; A478-E481 PolarHBondContact O-N 3.4Å; A478-R482 WeakPolarHBondContact O-CG 3.37Å; A478-R482 PolarHBondContact O-N 3.17Å
479	R	97.9	Very high	96.9	Very high	44 Å²	44	26.3 Å²	26.3	17%	0.166	15%	0.15	C	C	.	.	H	α-helix	trans	-57.7	-49.8	175.9	177	-95.3	174.2	-176.7	-1.4	112	E322 S475 T476 F477 E481 R482 D483 T489 F491	E322-R479 IonicContact OE2-CZ 3.31Å; E322-R479 IonicContact OE2-NH1 3.88Å; E322-R479 PolarHBondContact OE2-NH1 3.29Å; S475-R479 PolarHBondContact O-N 3.43Å; T476-R479 PolarHBondContact O-N 2.83Å; F477-R479 VanDerWaalsContact C-N 3.34Å; F477-R479 PolarHBondContact O-N 3.14Å; R479-E481 VanDerWaalsContact C-N 3.31Å; R479-E481 PolarHBondContact O-N 3.12Å; R479-R482 WeakPolarHBondContact O-CB 3.43Å; R479-R482 PolarHBondContact O-N 3Å; R479-R482 VanDerWaalsContact O-N 3.14Å; R479-D483 IonicContact CZ-OD2 3.32Å; R479-D483 IonicContact NE-OD1 2.94Å; R479-D483 IonicContact NE-OD2 2.89Å; R479-D483 PolarHBondContact NE-OD2 2.8Å; R479-D483 IonicContact NH1-OD2 2.78Å; R479-D483 IonicContact NH2-OD2 3.97Å; R479-D483 PolarHBondContact NH2-OD2 3.31Å; R479-D483 PolarHBondContact O-N 2.87Å; R479-D483 VanDerWaalsContact O-OD1 3.13Å; R479-T489 HydrophobicContact CB-CG2 4.07Å; R479-T489 HydrophobicContact CG-CG2 3.94Å; R479-F491 HydrophobicContact CG-CZ 4.23Å
480	R	97.7	Very high	96.9	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.015	16%	0.155	C	C	.	.	H	α-helix	trans	-63.4	-38.8	-179.7	-75.8	-167	-62.5	-87.4	-1.5	111.9	E167 Q325 T476 F477 R482 D483 V484	E167-R480 VanDerWaalsContact CD-NH1 3.33Å; E167-R480 IonicContact OE1-CZ 3.37Å; E167-R480 IonicContact OE1-NH1 2.83Å; E167-R480 PolarHBondContact OE1-NH1 3.08Å; E167-R480 IonicContact OE1-NH2 3.82Å; E167-R480 PolarHBondContact OE1-NH2 3.41Å; E167-R480 IonicContact OE2-NH1 3.48Å; E167-R480 PolarHBondContact OE2-NH1 2.82Å; Q325-R480 HydrophobicContact CB-CB 3.89Å; Q325-R480 HydrophobicContact CG-CB 3.64Å; T476-R480 HydrophobicContact CG2-CG 4.18Å; T476-R480 PolarHBondContact O-N 3Å; F477-R480 PolarHBondContact O-N 2.89Å; R480-R482 VanDerWaalsContact C-N 3.28Å; R480-R482 PolarHBondContact O-N 3.27Å; R480-D483 PolarHBondContact O-N 2.67Å; R480-V484 WeakPolarHBondContact O-CG2 3.33Å; R480-V484 PolarHBondContact O-N 2.99Å
481	E	98.2	Very high	97	Very high	11 Å²	11	27.9 Å²	27.9	5%	0.051	16%	0.157	C	C	.	.	H	α-helix	trans	-62.7	-40.4	176.7	-173.4	175.3	169.8	0	0	110.6	Q325 W330 A461 F477 A478 R479 V484 Y485	Q325-E481 HydrophobicContact CG-CB 4.36Å; W330-E481 PolarHBondContact NE1-OE1 3.38Å; W330-E481 PolarHBondContact NE1-OE2 3.37Å; A461-E481 HydrophobicContact CB-CB 4.06Å; A461-E481 VanDerWaalsContact CB-CD 3.41Å; A461-E481 HydrophobicContact CB-CG 3.82Å; F477-E481 PolarHBondContact O-N 3.05Å; F477-E481 VanDerWaalsContact O-N 3.09Å; A478-E481 PolarHBondContact O-N 3.4Å; R479-E481 VanDerWaalsContact C-N 3.31Å; R479-E481 PolarHBondContact O-N 3.12Å; E481-V484 WeakPolarHBondContact O-CB 3.37Å; E481-V484 PolarHBondContact O-N 3.14Å; E481-Y485 HydrophobicContact CG-CE2 4.19Å; E481-Y485 WeakPolarHBondContact O-CD2 3.5Å
482	R	98	Very high	97.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.8	-41.8	175.1	-69.5	172.9	71.9	70.4	6.5	112.8	L460 A461 A463 S464 Y466 A478 R479 R480 V484 Y485 G486 L487 P488 T489	L460-R482 PolarHBondContact O-NH1 3.31Å; L460-R482 VanDerWaalsContact O-NH1 3.1Å; A461-R482 PolarHBondContact O-NH1 3.17Å; A463-R482 PolarHBondContact O-NH1 3.4Å; A463-R482 PolarHBondContact O-NH2 3.26Å; A463-R482 VanDerWaalsContact O-NH2 3.17Å; S464-R482 PolarHBondContact O-NH2 3.09Å; Y466-R482 VanDerWaalsContact CB-NE 3.27Å; A478-R482 WeakPolarHBondContact O-CG 3.37Å; A478-R482 PolarHBondContact O-N 3.17Å; R479-R482 WeakPolarHBondContact O-CB 3.43Å; R479-R482 PolarHBondContact O-N 3Å; R479-R482 VanDerWaalsContact O-N 3.14Å; R480-R482 VanDerWaalsContact C-N 3.28Å; R480-R482 PolarHBondContact O-N 3.27Å; R482-V484 VanDerWaalsContact C-N 3.27Å; R482-V484 PolarHBondContact O-N 2.77Å; R482-Y485 CarbonylContact O-C 3.53Å; R482-Y485 WeakPolarHBondContact O-CA 3.43Å; R482-Y485 PolarHBondContact O-N 2.83Å; R482-G486 PolarHBondContact O-N 3.26Å; R482-L487 HydrophobicContact CB-CB 3.95Å; R482-L487 HydrophobicContact CG-CB 4.37Å; R482-L487 PolarHBondContact O-N 3.18Å; R482-P488 VanDerWaalsContact CZ-O 3.27Å; R482-P488 PolarHBondContact NE-O 3.44Å; R482-P488 VanDerWaalsContact NE-O 3.07Å; R482-P488 PolarHBondContact NH2-O 3.39Å; R482-T489 WeakPolarHBondContact CD-OG1 3.37Å; R482-T489 PolarHBondContact NE-OG1 3.36Å
483	D	97.3	Very high	97.1	Very high	70 Å²	70	29.3 Å²	29.3	37%	0.374	17%	0.169	S	C	.	.	H	α-helix	trans	-60.8	-35.9	178	-80.4	27.9	0	0	0	112.5	R479 R480 Y485 G486	R479-D483 IonicContact CZ-OD2 3.32Å; R479-D483 IonicContact NE-OD1 2.94Å; R479-D483 IonicContact NE-OD2 2.89Å; R479-D483 PolarHBondContact NE-OD2 2.8Å; R479-D483 IonicContact NH1-OD2 2.78Å; R479-D483 IonicContact NH2-OD2 3.97Å; R479-D483 PolarHBondContact NH2-OD2 3.31Å; R479-D483 PolarHBondContact O-N 2.87Å; R479-D483 VanDerWaalsContact O-OD1 3.13Å; R480-D483 PolarHBondContact O-N 2.67Å; D483-Y485 PolarHBondContact O-N 3.35Å; D483-Y485 VanDerWaalsContact O-N 3.13Å; D483-G486 PolarHBondContact O-N 3.47Å
484	V	96.5	Very high	97	Very high	38 Å²	38	29.8 Å²	29.8	23%	0.23	17%	0.171	C	C	.	.	H	α-helix	trans	-57.6	-28.4	173.5	171.5	0	0	0	0	111.9	Q325 R326 R480 E481 R482	Q325-V484 HydrophobicContact CB-CG2 4.23Å; Q325-V484 HydrophobicContact CG-CG2 4.45Å; R326-V484 HydrophobicContact CB-CB 4.45Å; R326-V484 HydrophobicContact CB-CG1 3.7Å; R326-V484 HydrophobicContact CB-CG2 3.8Å; R480-V484 WeakPolarHBondContact O-CG2 3.33Å; R480-V484 PolarHBondContact O-N 2.99Å; E481-V484 WeakPolarHBondContact O-CB 3.37Å; E481-V484 PolarHBondContact O-N 3.14Å; R482-V484 VanDerWaalsContact C-N 3.27Å; R482-V484 PolarHBondContact O-N 2.77Å
485	Y	94.8	Very high	96.4	Very high	131 Å²	131	34.4 Å²	34.4	51%	0.514	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	4.7	-180	-61.9	-68	0	0	0	113.7	R329 E481 R482 D483 L487	R329-Y485 PolarHBondContact NH1-OH 3.04Å; E481-Y485 HydrophobicContact CG-CE2 4.19Å; E481-Y485 WeakPolarHBondContact O-CD2 3.5Å; R482-Y485 CarbonylContact O-C 3.53Å; R482-Y485 WeakPolarHBondContact O-CA 3.43Å; R482-Y485 PolarHBondContact O-N 2.83Å; D483-Y485 PolarHBondContact O-N 3.35Å; D483-Y485 VanDerWaalsContact O-N 3.13Å; Y485-L487 VanDerWaalsContact C-N 3.28Å; Y485-L487 PolarHBondContact O-N 3.28Å
486	G	95.8	Very high	95.5	Very high	68 Å²	68	37.6 Å²	37.6	70%	0.701	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.4	27.7	-177.7	0	0	0	0	0	114	R482 D483	R482-G486 PolarHBondContact O-N 3.26Å; D483-G486 PolarHBondContact O-N 3.47Å
487	L	97.2	Very high	93.9	Very high	60 Å²	60	41.7 Å²	41.7	31%	0.314	23%	0.233	S	C	.	.			trans	-90.5	140.8	-179.5	-64.1	175.7	0	0	0	111.5	R482 Y485	R482-L487 HydrophobicContact CB-CB 3.95Å; R482-L487 HydrophobicContact CG-CB 4.37Å; R482-L487 PolarHBondContact O-N 3.18Å; Y485-L487 VanDerWaalsContact C-N 3.28Å; Y485-L487 PolarHBondContact O-N 3.28Å
488	P	96.5	Very high	91.5	Very high	72 Å²	72	44.4 Å²	44.4	47%	0.468	25%	0.253	S	S	.	.			trans	-74.1	145.4	-173.7	29.5	-35.6	0	0	0	112.6	L465 R482	L465-P488 HydrophobicContact CD1-CB 3.99Å; L465-P488 HydrophobicContact CD1-CG 3.91Å; R482-P488 VanDerWaalsContact CZ-O 3.27Å; R482-P488 PolarHBondContact NE-O 3.44Å; R482-P488 VanDerWaalsContact NE-O 3.07Å; R482-P488 PolarHBondContact NH2-O 3.39Å
489	T	97.8	Very high	88.6	Confident	27 Å²	27	48.5 Å²	48.5	17%	0.166	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	136.3	173.2	-60.2	0	0	0	0	109.8	Y466 R479 R482 F491	Y466-T489 HydrophobicContact CD1-CG2 3.47Å; Y466-T489 VanDerWaalsContact CD1-CG2 3.47Å; Y466-T489 HydrophobicContact CE1-CG2 3.91Å; Y466-T489 HydrophobicContact CG-CG2 4.4Å; R479-T489 HydrophobicContact CB-CG2 4.07Å; R479-T489 HydrophobicContact CG-CG2 3.94Å; R482-T489 WeakPolarHBondContact CD-OG1 3.37Å; R482-T489 PolarHBondContact NE-OG1 3.36Å; T489-F491 HydrophobicContact CG2-CE1 4.26Å; T489-F491 HydrophobicContact CG2-CE2 4.32Å; T489-F491 HydrophobicContact CG2-CZ 3.97Å
490	E	97.6	Very high	85.6	Confident	23 Å²	23	52 Å²	52	11%	0.107	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	164.4	173.3	-71.9	179.8	-151.7	0	0	110	R413 L465 Y466 I467 G468 Y496	R413-E490 IonicContact CZ-OE1 2.81Å; R413-E490 IonicContact NH2-OE1 2.87Å; R413-E490 PolarHBondContact NH2-OE1 2.96Å; R413-E490 IonicContact NH2-OE2 3.39Å; R413-E490 PolarHBondContact NH2-OE2 2.92Å; L465-E490 HydrophobicContact CD1-CG 4.17Å; Y466-E490 PolarHBondContact O-N 2.88Å; I467-E490 VanDerWaalsContact CA-O 3.3Å; I467-E490 WeakPolarHBondContact CA-O 3.16Å; I467-E490 HydrophobicContact CG1-CB 4.15Å; G468-E490 PolarHBondContact N-O 3.44Å; E490-Y496 HydrophobicContact CB-CD2 3.8Å; E490-Y496 HydrophobicContact CB-CE1 4.31Å; E490-Y496 HydrophobicContact CB-CE2 3.56Å; E490-Y496 HydrophobicContact CB-CG 4.27Å; E490-Y496 HydrophobicContact CG-CD1 3.77Å; E490-Y496 HydrophobicContact CG-CD2 3.72Å; E490-Y496 HydrophobicContact CG-CE1 3.92Å; E490-Y496 HydrophobicContact CG-CE2 3.87Å; E490-Y496 HydrophobicContact CG-CG 3.67Å
491	F	97.9	Very high	82.5	Confident	10 Å²	10	58 Å²	58	4%	0.044	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	150.4	-179.5	-63.5	-76.3	0	0	0	112.9	Q380 C381 Q406 G468 C470 R479 T489 M494 Y496	Q380-F491 HydrophobicContact CB-CZ 4.2Å; Q380-F491 HydrophobicContact CG-CE1 3.7Å; Q380-F491 HydrophobicContact CG-CE2 4.36Å; Q380-F491 HydrophobicContact CG-CZ 3.56Å; Q380-F491 WeakPolarHBondContact O-CE2 3.39Å; C381-F491 HydrophobicContact CB-CB 3.94Å; C381-F491 HydrophobicContact CB-CD1 4.06Å; C381-F491 HydrophobicContact CB-CD2 3.2Å; C381-F491 HydrophobicContact CB-CE1 4.4Å; C381-F491 HydrophobicContact CB-CE2 3.62Å; C381-F491 HydrophobicContact CB-CG 3.45Å; C381-F491 VanDerWaalsContact CB-CG 3.45Å; C381-F491 HydrophobicContact CB-CZ 4.2Å; Q406-F491 PolarHBondContact NE2-O 3.37Å; G468-F491 VanDerWaalsContact O-CA 3.31Å; G468-F491 WeakPolarHBondContact O-CA 3.45Å; C470-F491 HydrophobicContact CB-CB 4.43Å; C470-F491 HydrophobicContact CB-CD1 4.34Å; R479-F491 HydrophobicContact CG-CZ 4.23Å; T489-F491 HydrophobicContact CG2-CE1 4.26Å; T489-F491 HydrophobicContact CG2-CE2 4.32Å; T489-F491 HydrophobicContact CG2-CZ 3.97Å; F491-M494 HydrophobicContact CB-CB 4.3Å; F491-M494 HydrophobicContact CB-CG 3.86Å; F491-M494 PolarHBondContact O-N 2.89Å; F491-Y496 VanDerWaalsContact CD2-OH 3.31Å; F491-Y496 WeakPolarHBondContact CD2-OH 3.46Å; F491-Y496 PolarHBondContact N-OH 3.34Å; F491-Y496 WeakPolarHBondContact O-CE2 3.34Å
492	W	97.5	Very high	79.4	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	144.3	175.3	-57.1	125.3	0	0	0	112.4	I354 H355 L356 P398 I403 Q406 V407 I467 G468 M494	I354-W492 HydrophobicContact CB-CH2 3.87Å; I354-W492 HydrophobicContact CB-CZ2 3.79Å; I354-W492 HydrophobicContact CD1-CH2 4.04Å; I354-W492 HydrophobicContact CD1-CZ2 4.28Å; I354-W492 HydrophobicContact CG1-CZ2 4.5Å; I354-W492 HydrophobicContact CG2-CH2 3.89Å; I354-W492 HydrophobicContact CG2-CZ2 4.29Å; H355-W492 PolarHBondContact O-NE1 2.97Å; L356-W492 HydrophobicContact CD2-CH2 4.49Å; L356-W492 HydrophobicContact CD2-CZ2 3.95Å; P398-W492 HydrophobicContact CB-CB 3.86Å; P398-W492 HydrophobicContact CB-CG 4.37Å; P398-W492 HydrophobicContact CG-CB 3.68Å; P398-W492 HydrophobicContact CG-CG 3.79Å; I403-W492 HydrophobicContact CG1-CE3 4.48Å; I403-W492 HydrophobicContact CG2-CH2 4.27Å; I403-W492 HydrophobicContact CG2-CZ3 4.37Å; Q406-W492 HydrophobicContact CB-CE3 4.41Å; Q406-W492 HydrophobicContact CB-CZ3 4.25Å; V407-W492 HydrophobicContact CG2-CH2 3.75Å; V407-W492 HydrophobicContact CG2-CZ3 3.92Å; I467-W492 HydrophobicContact CB-CE3 4.49Å; I467-W492 HydrophobicContact CB-CH2 3.95Å; I467-W492 HydrophobicContact CB-CZ2 4.14Å; I467-W492 HydrophobicContact CB-CZ3 4.14Å; I467-W492 HydrophobicContact CD1-CH2 4.29Å; I467-W492 HydrophobicContact CD1-CZ3 4.04Å; I467-W492 HydrophobicContact CG2-CD2 3.55Å; I467-W492 HydrophobicContact CG2-CE3 3.44Å; I467-W492 VanDerWaalsContact CG2-CE3 3.44Å; I467-W492 HydrophobicContact CG2-CG 4.3Å; I467-W492 HydrophobicContact CG2-CH2 3.76Å; I467-W492 HydrophobicContact CG2-CZ2 3.88Å; I467-W492 HydrophobicContact CG2-CZ3 3.54Å; G468-W492 VanDerWaalsContact O-CD1 3.27Å; G468-W492 PolarHBondContact O-N 2.92Å; G468-W492 VanDerWaalsContact O-N 3.08Å; W492-M494 PolarHBondContact O-N 3.3Å
493	A	95.3	Very high	76.3	Confident	32 Å²	32	76.1 Å²	76.1	26%	0.264	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	12.6	-179.4	0	0	0	0	0	115.8	E394 I395 T402	E394-A493 HydrophobicContact CB-CB 3.87Å; I395-A493 HydrophobicContact CG1-CB 3.93Å; T402-A493 HydrophobicContact CG2-CB 4.28Å
494	M	93.1	Very high	73.3	Confident	19 Å²	19	81.6 Å²	81.6	9%	0.094	43%	0.431	C	S	.	.			trans	-95	148.1	171.6	-65.8	-65.2	-79.5	0	0	110.5	C381 L382 H388 S389 I395 Q406 F491 W492 Y496	C381-M494 WeakPolarHBondContact O-CE 3.29Å; L382-M494 HydrophobicContact CD2-SD 4.37Å; H388-M494 HydrophobicContact CB-CE 3.97Å; S389-M494 VanDerWaalsContact CB-SD 3.6Å; I395-M494 HydrophobicContact CD1-SD 3.71Å; I395-M494 HydrophobicContact CG1-SD 4.22Å; Q406-M494 PolarHBondContact NE2-O 2.86Å; F491-M494 HydrophobicContact CB-CB 4.3Å; F491-M494 HydrophobicContact CB-CG 3.86Å; F491-M494 PolarHBondContact O-N 2.89Å; W492-M494 PolarHBondContact O-N 3.3Å; M494-Y496 HydrophobicContact CB-CD2 4.33Å; M494-Y496 HydrophobicContact CB-CE2 3.46Å; M494-Y496 VanDerWaalsContact CB-CE2 3.46Å; M494-Y496 WeakPolarHBondContact O-CD2 3.42Å; M494-Y496 PolarHBondContact O-N 3.44Å
495	N	83.8	Confident	70.4	Confident	113 Å²	113	89.6 Å²	89.6	60%	0.604	47%	0.471	S	S	*	.			trans	-88.5	107.4	-175.7	-171	0	0	0	0	111.2	T497	N495-T497 PolarHBondContact OD1-N 3.19Å; N495-T497 VanDerWaalsContact OD1-N 3.16Å; N495-T497 PolarHBondContact OD1-OG1 3.02Å
496	Y	79.7	Confident	69.2	Low	68 Å²	68	87.5 Å²	87.5	27%	0.267	47%	0.469	S	S	.	.			trans	-113.9	-0.6	171.3	-55.7	-78.5	0	0	0	112.5	R413 E490 F491 M494 S498	R413-Y496 PolarHBondContact NH1-O 3.38Å; E490-Y496 HydrophobicContact CB-CD2 3.8Å; E490-Y496 HydrophobicContact CB-CE1 4.31Å; E490-Y496 HydrophobicContact CB-CE2 3.56Å; E490-Y496 HydrophobicContact CB-CG 4.27Å; E490-Y496 HydrophobicContact CG-CD1 3.77Å; E490-Y496 HydrophobicContact CG-CD2 3.72Å; E490-Y496 HydrophobicContact CG-CE1 3.92Å; E490-Y496 HydrophobicContact CG-CE2 3.87Å; E490-Y496 HydrophobicContact CG-CG 3.67Å; F491-Y496 VanDerWaalsContact CD2-OH 3.31Å; F491-Y496 WeakPolarHBondContact CD2-OH 3.46Å; F491-Y496 PolarHBondContact N-OH 3.34Å; F491-Y496 WeakPolarHBondContact O-CE2 3.34Å; M494-Y496 HydrophobicContact CB-CD2 4.33Å; M494-Y496 HydrophobicContact CB-CE2 3.46Å; M494-Y496 VanDerWaalsContact CB-CE2 3.46Å; M494-Y496 WeakPolarHBondContact O-CD2 3.42Å; M494-Y496 PolarHBondContact O-N 3.44Å; Y496-S498 VanDerWaalsContact C-N 3.29Å
497	T	62.9	Low	67.8	Low	85 Å²	85	88.5 Å²	88.5	52%	0.521	46%	0.457	S	S	.	.			trans	-81.7	-6.9	-178.4	45.8	0	0	0	0	113.2	N495 D499	N495-T497 PolarHBondContact OD1-N 3.19Å; N495-T497 VanDerWaalsContact OD1-N 3.16Å; N495-T497 PolarHBondContact OD1-OG1 3.02Å; T497-D499 PolarHBondContact O-N 3.02Å; T497-D499 VanDerWaalsContact O-N 3.16Å
498	S	47.1	Very low	66.1	Low	58 Å²	58	90.1 Å²	90.1	41%	0.406	47%	0.465	S	S	.	.	S	Bend	trans	-74.9	101.2	161.1	55.6	0	0	0	0	108.3	Y496 P500	Y496-S498 VanDerWaalsContact C-N 3.29Å; S498-P500 VanDerWaalsContact O-CD 3.23Å; S498-P500 WeakPolarHBondContact O-CD 3.15Å; S498-P500 VanDerWaalsContact O-N 3.09Å
499	D	37.9	Very low	64.3	Low	86 Å²	86	91.2 Å²	91.2	46%	0.46	47%	0.465	S	S	.	.			trans	-43.2	115.2	151	-178	2.4	0	0	0	108.1	T497 L501 R502	T497-D499 PolarHBondContact O-N 3.02Å; T497-D499 VanDerWaalsContact O-N 3.16Å; D499-L501 PolarHBondContact O-N 3.01Å; D499-L501 WeakPolarHBondContact OD1-CB 3.39Å; D499-L501 PolarHBondContact OD1-N 3.31Å; D499-L501 VanDerWaalsContact OD1-N 3.09Å; D499-R502 HydrophobicContact CB-CB 4.47Å; D499-R502 PolarHBondContact O-N 3.42Å
500	P	35.1	Very low	62.2	Low	117 Å²	117	95.2 Å²	95.2	76%	0.76	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-55.9	-22.2	178	-23.2	32.9	0	0	0	112.2	S498 R502	S498-P500 VanDerWaalsContact O-CD 3.23Å; S498-P500 WeakPolarHBondContact O-CD 3.15Å; S498-P500 VanDerWaalsContact O-N 3.09Å; P500-R502 VanDerWaalsContact C-N 3.27Å; P500-R502 PolarHBondContact O-N 3.12Å
501	L	33.5	Very low	59.9	Low	129 Å²	129	100 Å²	100	68%	0.675	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-78.9	-1	178	-74.1	157.3	0	0	0	114.6	D499	D499-L501 PolarHBondContact O-N 3.01Å; D499-L501 WeakPolarHBondContact OD1-CB 3.39Å; D499-L501 PolarHBondContact OD1-N 3.31Å; D499-L501 VanDerWaalsContact OD1-N 3.09Å
502	R	31.4	Very low	57.2	Low	205 Å²	205	106.4 Å²	106.4	77%	0.774	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-102.4	5.9	178.1	-117.1	-173.6	-173.7	-170.7	2.7	115.7	D499 P500	D499-R502 HydrophobicContact CB-CB 4.47Å; D499-R502 PolarHBondContact O-N 3.42Å; P500-R502 VanDerWaalsContact C-N 3.27Å; P500-R502 PolarHBondContact O-N 3.12Å
503	K	33	Very low	54.1	Low	188 Å²	188	114.6 Å²	114.6	82%	0.817	58%	0.583	S	S	*	*	S	Bend	trans	-104.3	0.2	168.5	-82.8	-170.3	176.2	-178.2	0	114.2
504	E	34.9	Very low	50.6	Low	185 Å²	185	121.5 Å²	121.5	86%	0.864	61%	0.61	S	S	*	*			trans	-121.2	14.6	171.5	-68.9	-168.5	164.6	0	0	113.8
505	L	35.3	Very low	46.8	Very low	205 Å²	205	130.8 Å²	130.8	100%	1.073	66%	0.657	S	S	*	*			trans	-122.3	0	161.9	-68.4	172.4	0	0	0	108.2

Retrieved 505 of 505 residues in 354.3 ms (Link to these results)

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