A0A077Z814_TRITR Loading...

Tyrosinase domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z814, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 460 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	34.2	Very low	37.7	Very low	236 Å²	236	128 Å²	128	100%	1.163	68%	0.682	S	S	*	*				0	99.1	0	-72.9	168.4	71.3	0	0	106.3
2	N	39	Very low	37.1	Very low	139 Å²	139	135.3 Å²	135.3	74%	0.743	69%	0.692	S	S	*	*			trans	-76.2	130.7	-146.6	-69.7	-12	0	0	0	113.1	A4 A5	N2-A4 PolarHBondContact O-N 3.18Å; N2-A5 PolarHBondContact O-N 3.37Å
3	S	44.3	Very low	36.5	Very low	93 Å²	93	134.9 Å²	134.9	65%	0.65	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.3	-7.2	176.7	30.3	0	0	0	0	115.7
4	A	40.3	Very low	36.3	Very low	68 Å²	68	135.6 Å²	135.6	56%	0.562	70%	0.697	S	S	*	*	H	α-helix	trans	-68.7	-31.8	176.1	0	0	0	0	0	113.5	N2 L6	N2-A4 PolarHBondContact O-N 3.18Å; A4-L6 PolarHBondContact O-N 2.78Å
5	A	39.9	Very low	35.9	Very low	68 Å²	68	134.3 Å²	134.3	56%	0.562	70%	0.697	S	S	*	*	H	α-helix	trans	-73.5	-27.8	-177	0	0	0	0	0	113.3	N2	N2-A5 PolarHBondContact O-N 3.37Å
6	L	36	Very low	35.3	Very low	124 Å²	124	129.1 Å²	129.1	65%	0.649	69%	0.686	S	S	*	*	H	α-helix	trans	-75.8	-28.6	179.5	-98.9	128.3	0	0	0	113	A4 F10	A4-L6 PolarHBondContact O-N 2.78Å; L6-F10 PolarHBondContact O-N 3.33Å
7	W	38.5	Very low	35.2	Very low	192 Å²	192	128.5 Å²	128.5	73%	0.727	70%	0.695	S	S	*	*	H	α-helix	trans	-74.8	-32.6	179.5	-87.3	90.6	0	0	0	113.4	L9 F10 L11	W7-L9 VanDerWaalsContact C-N 3.3Å; W7-L9 PolarHBondContact O-N 3.5Å; W7-F10 PolarHBondContact O-N 3.38Å; W7-L11 PolarHBondContact O-N 3.49Å
8	L	37.7	Very low	34.8	Very low	126 Å²	126	130.3 Å²	130.3	66%	0.66	70%	0.704	S	S	*	*	H	α-helix	trans	-69.2	-28	175.7	-79.2	158.1	0	0	0	113
9	L	33.3	Very low	34.5	Very low	117 Å²	117	127.1 Å²	127.1	61%	0.613	71%	0.705	S	S	*	*	H	α-helix	trans	-73.8	-35	174.9	-98.3	142.7	0	0	0	112.4	W7 R12 L13	W7-L9 VanDerWaalsContact C-N 3.3Å; W7-L9 PolarHBondContact O-N 3.5Å; L9-R12 PolarHBondContact O-N 3.14Å; L9-L13 PolarHBondContact O-N 3.36Å
10	F	35.2	Very low	34	Very low	133 Å²	133	125.7 Å²	125.7	58%	0.583	71%	0.71	S	S	*	*	H	α-helix	trans	-68.5	-35.5	176.6	-101.3	-85.3	0	0	0	113	L6 W7 R12 L13 L14	L6-F10 PolarHBondContact O-N 3.33Å; W7-F10 PolarHBondContact O-N 3.38Å; F10-R12 VanDerWaalsContact C-N 3.31Å; F10-R12 PolarHBondContact O-N 2.95Å; F10-L13 PolarHBondContact O-N 3.35Å; F10-L14 PolarHBondContact O-N 3.46Å
11	L	36.1	Very low	33.7	Very low	112 Å²	112	122.8 Å²	122.8	59%	0.586	70%	0.702	S	S	*	*	H	α-helix	trans	-67.1	-30.1	175.2	-93.4	147.9	0	0	0	113	W7 L13 V15	W7-L11 PolarHBondContact O-N 3.49Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-V15 PolarHBondContact O-N 3.44Å
12	R	30.3	Very low	33.3	Very low	215 Å²	215	115.1 Å²	115.1	81%	0.811	67%	0.67	S	S	*	*	H	α-helix	trans	-73.8	-22.6	172.7	-79.7	-172.1	175.4	-171.1	-0.5	113.9	L9 F10	L9-R12 PolarHBondContact O-N 3.14Å; F10-R12 VanDerWaalsContact C-N 3.31Å; F10-R12 PolarHBondContact O-N 2.95Å
13	L	29.9	Very low	32.8	Very low	131 Å²	131	115.1 Å²	115.1	69%	0.686	68%	0.677	S	S	*	*	H	α-helix	trans	-84	-25.8	177.2	-77.7	162.1	0	0	0	112.9	L9 F10 L11	L9-L13 PolarHBondContact O-N 3.36Å; F10-L13 PolarHBondContact O-N 3.35Å; L11-L13 VanDerWaalsContact C-N 3.34Å
14	L	33	Very low	32	Very low	145 Å²	145	117.2 Å²	117.2	76%	0.759	68%	0.677	S	S	*	*	H	α-helix	trans	-80.9	-21	176.2	-76	166.5	0	0	0	113.5	F10 G16	F10-L14 PolarHBondContact O-N 3.46Å; L14-G16 VanDerWaalsContact C-N 3.28Å; L14-G16 PolarHBondContact O-N 3.44Å; L14-G16 VanDerWaalsContact O-N 3.14Å
15	V	31.1	Very low	31.5	Very low	115 Å²	115	119.3 Å²	119.3	70%	0.697	68%	0.678	S	S	*	*	S	Bend	trans	-87.5	78.9	166.3	-171.1	0	0	0	0	107.5	L11 S17	L11-V15 PolarHBondContact O-N 3.44Å; V15-S17 PolarHBondContact O-N 3.15Å
16	G	26.6	Very low	30.9	Very low	51 Å²	51	122.4 Å²	122.4	53%	0.526	69%	0.685	S	S	.	*			trans	-44.1	130.2	-179.4	0	0	0	0	0	112.1	L14 N18 G19	L14-G16 VanDerWaalsContact C-N 3.28Å; L14-G16 PolarHBondContact O-N 3.44Å; L14-G16 VanDerWaalsContact O-N 3.14Å; G16-N18 PolarHBondContact O-N 3.25Å; G16-G19 PolarHBondContact O-N 2.85Å
17	S	32.6	Very low	30.4	Very low	120 Å²	120	127.6 Å²	127.6	84%	0.839	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	22.6	-172.9	52.1	0	0	0	0	115.8	V15	V15-S17 PolarHBondContact O-N 3.15Å
18	N	29.1	Very low	29.8	Very low	160 Å²	160	125.1 Å²	125.1	86%	0.856	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.7	15	179.9	-79.7	-22.3	0	0	0	114.7	G16 A20	G16-N18 PolarHBondContact O-N 3.25Å; N18-A20 PolarHBondContact O-N 3.03Å
19	G	27.9	Very low	29.5	Very low	70 Å²	70	124.2 Å²	124.2	72%	0.722	70%	0.699	S	S	*	*			trans	-94.2	60.3	173.6	0	0	0	0	0	113.1	G16 A21	G16-G19 PolarHBondContact O-N 2.85Å; G19-A21 PolarHBondContact O-N 2.95Å
20	A	25.5	Very low	29.5	Very low	98 Å²	98	123.7 Å²	123.7	81%	0.81	70%	0.7	S	S	*	*			trans	-65.6	99.6	167.9	0	0	0	0	0	108.2	N18	N18-A20 PolarHBondContact O-N 3.03Å
21	A	28	Very low	29	Very low	66 Å²	66	119.7 Å²	119.7	55%	0.545	70%	0.697	S	S	.	*			trans	-61.8	137.8	174.6	0	0	0	0	0	109.4	G19 L25	G19-A21 PolarHBondContact O-N 2.95Å; A21-L25 HydrophobicContact CB-CD1 3.64Å
22	P	25.4	Very low	28.7	Very low	75 Å²	75	120.6 Å²	120.6	49%	0.487	70%	0.702	S	S	.	*			trans	-58.1	152.5	-174	-24.7	34	0	0	0	113	H24 L25	P22-H24 WeakPolarHBondContact CB-CE1 3.18Å; P22-H24 PolarHBondContact O-N 3.27Å; P22-L25 PolarHBondContact O-N 2.82Å
23	P	27.6	Very low	28.7	Very low	138 Å²	138	115.3 Å²	115.3	90%	0.896	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	6	-164.4	-9.2	22.3	0	0	0	116.3
24	H	27.5	Very low	28.5	Very low	137 Å²	137	117.7 Å²	117.7	63%	0.634	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	12.3	-179	41.9	-92.1	0	0	0	113.8	P22 D26	P22-H24 WeakPolarHBondContact CB-CE1 3.18Å; P22-H24 PolarHBondContact O-N 3.27Å; H24-D26 VanDerWaalsContact C-N 3.33Å; H24-D26 PolarHBondContact O-N 3.35Å; H24-D26 VanDerWaalsContact O-N 3.15Å
25	L	30.4	Very low	28.3	Very low	112 Å²	112	114.4 Å²	114.4	59%	0.586	68%	0.679	S	S	*	*	S	Bend	trans	-81.4	87.7	162	-70.9	170	0	0	0	108.8	A21 P22 R27	A21-L25 HydrophobicContact CB-CD1 3.64Å; P22-L25 PolarHBondContact O-N 2.82Å; L25-R27 PolarHBondContact O-N 3.28Å; L25-R27 VanDerWaalsContact O-N 3.09Å
26	D	27.1	Very low	28.5	Very low	134 Å²	134	112.5 Å²	112.5	72%	0.717	67%	0.667	S	S	*	*			trans	-48.5	113.2	170.8	-149.5	-5.3	0	0	0	109.3	H24 N28	H24-D26 VanDerWaalsContact C-N 3.33Å; H24-D26 PolarHBondContact O-N 3.35Å; H24-D26 VanDerWaalsContact O-N 3.15Å; D26-N28 PolarHBondContact O-N 2.89Å
27	R	26.3	Very low	28.7	Very low	232 Å²	232	114 Å²	114	88%	0.875	66%	0.661	S	S	*	*			trans	-77.4	61.9	-173.5	-69	-178	175.3	-176.9	-0.5	110.7	L25 P29	L25-R27 PolarHBondContact O-N 3.28Å; L25-R27 VanDerWaalsContact O-N 3.09Å; R27-P29 WeakPolarHBondContact O-CD 3.33Å
28	N	26.5	Very low	28.7	Very low	140 Å²	140	111.8 Å²	111.8	75%	0.749	65%	0.649	S	S	*	*			trans	-92.2	97.1	155.3	-100	-20.1	0	0	0	107.3	D26 V30	D26-N28 PolarHBondContact O-N 2.89Å; N28-V30 PolarHBondContact O-N 3.09Å; N28-V30 VanDerWaalsContact O-N 3.11Å
29	P	31	Very low	28.9	Very low	108 Å²	108	110.2 Å²	110.2	70%	0.701	64%	0.641	S	S	*	*			trans	-62.9	120.7	176.1	28.2	-31.6	0	0	0	106.6	R27 G31	R27-P29 WeakPolarHBondContact O-CD 3.33Å; P29-G31 PolarHBondContact O-N 3.15Å
30	V	31.8	Very low	29.3	Very low	105 Å²	105	109.4 Å²	109.4	64%	0.636	62%	0.62	S	S	*	*			trans	-63.9	78.9	162.7	-176	0	0	0	0	106	N28 N32 L33	N28-V30 PolarHBondContact O-N 3.09Å; N28-V30 VanDerWaalsContact O-N 3.11Å; V30-N32 PolarHBondContact O-N 3.17Å; V30-L33 HydrophobicContact CG1-CD1 4.16Å
31	G	26.7	Very low	29.8	Very low	50 Å²	50	111 Å²	111	52%	0.515	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.7	-2.4	-167.6	0	0	0	0	0	114.5	P29	P29-G31 PolarHBondContact O-N 3.15Å
32	N	28.9	Very low	30.2	Very low	131 Å²	131	116.7 Å²	116.7	70%	0.701	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	6.4	-176.1	-76.7	-6	0	0	0	114.7	V30	V30-N32 PolarHBondContact O-N 3.17Å
33	L	30.3	Very low	30.8	Very low	103 Å²	103	121.5 Å²	121.5	54%	0.539	63%	0.63	S	S	.	*	S	Bend	trans	-82.9	-37.7	171.4	-120.9	82.5	0	0	0	112.2	V30 S35 V36 E37	V30-L33 HydrophobicContact CG1-CD1 4.16Å; L33-S35 VanDerWaalsContact C-N 3.34Å; L33-S35 PolarHBondContact O-N 3.09Å; L33-V36 WeakPolarHBondContact O-CB 3.34Å; L33-V36 PolarHBondContact O-N 3.22Å; L33-V36 VanDerWaalsContact O-N 3.13Å; L33-E37 PolarHBondContact O-N 2.76Å
34	W	26.4	Very low	31.4	Very low	182 Å²	182	118.6 Å²	118.6	69%	0.689	61%	0.607	S	S	*	*	H	α-helix	trans	-66.5	-29.8	-174.7	-60.6	94.2	0	0	0	114.1	V36 E37	W34-V36 VanDerWaalsContact C-N 3.3Å; W34-E37 WeakPolarHBondContact CZ3-OE2 3.41Å; W34-E37 WeakPolarHBondContact O-CB 3.33Å; W34-E37 PolarHBondContact O-N 3.03Å
35	S	28.2	Very low	32.2	Very low	76 Å²	76	116.8 Å²	116.8	53%	0.531	60%	0.602	S	S	.	*	H	α-helix	trans	-71.8	-27	176	56.3	0	0	0	0	112.4	L33 E37	L33-S35 VanDerWaalsContact C-N 3.34Å; L33-S35 PolarHBondContact O-N 3.09Å; S35-E37 VanDerWaalsContact C-N 3.32Å
36	V	34.4	Very low	33.3	Very low	75 Å²	75	115.2 Å²	115.2	46%	0.455	60%	0.6	S	S	.	*	H	α-helix	trans	-71.6	-31.5	174	-174.2	0	0	0	0	110.2	L33 W34 A38 L40	L33-V36 WeakPolarHBondContact O-CB 3.34Å; L33-V36 PolarHBondContact O-N 3.22Å; L33-V36 VanDerWaalsContact O-N 3.13Å; W34-V36 VanDerWaalsContact C-N 3.3Å; V36-A38 PolarHBondContact O-N 3.26Å; V36-L40 WeakPolarHBondContact O-CB 3.47Å; V36-L40 PolarHBondContact O-N 2.88Å
37	E	32.5	Very low	34.3	Very low	83 Å²	83	112.2 Å²	112.2	39%	0.388	59%	0.587	S	S	.	*	H	α-helix	trans	-63.5	-42.8	-179.2	-67.5	-179	161.6	0	0	113.3	L33 W34 S35 D39 L40 F41	L33-E37 PolarHBondContact O-N 2.76Å; W34-E37 WeakPolarHBondContact CZ3-OE2 3.41Å; W34-E37 WeakPolarHBondContact O-CB 3.33Å; W34-E37 PolarHBondContact O-N 3.03Å; S35-E37 VanDerWaalsContact C-N 3.32Å; E37-D39 PolarHBondContact O-N 3.11Å; E37-L40 PolarHBondContact O-N 2.87Å; E37-F41 VanDerWaalsContact O-CD2 3.29Å; E37-F41 WeakPolarHBondContact O-CD2 3.15Å; E37-F41 PolarHBondContact O-N 3.39Å
38	A	30.7	Very low	35.7	Very low	72 Å²	72	101.2 Å²	101.2	60%	0.595	55%	0.546	S	S	*	.	H	α-helix	trans	-67.8	-37.1	-172.2	0	0	0	0	0	113.9	V36	V36-A38 PolarHBondContact O-N 3.26Å
39	D	33.5	Very low	37.3	Very low	128 Å²	128	98.1 Å²	98.1	68%	0.684	53%	0.529	S	S	*	.	H	α-helix	trans	-81.3	-29	178.3	-75.3	-31.5	0	0	0	112.1	E37	E37-D39 PolarHBondContact O-N 3.11Å
40	L	36	Very low	38.9	Very low	53 Å²	53	98.8 Å²	98.8	28%	0.277	52%	0.523	S	S	.	.	H	α-helix	trans	-73.8	-30.8	179.5	-144.4	80.2	0	0	0	113	V36 E37 K42 Y43 Y74 I77	V36-L40 WeakPolarHBondContact O-CB 3.47Å; V36-L40 PolarHBondContact O-N 2.88Å; E37-L40 PolarHBondContact O-N 2.87Å; L40-K42 PolarHBondContact O-N 3.23Å; L40-Y43 PolarHBondContact O-N 2.7Å; L40-Y74 HydrophobicContact CD2-CD2 3.94Å; L40-Y74 HydrophobicContact CD2-CE2 3.84Å; L40-I77 HydrophobicContact CD1-CG2 4.38Å; L40-I77 HydrophobicContact CD2-CG2 4.07Å; L40-I77 HydrophobicContact CG-CG2 4.36Å
41	F	36.8	Very low	40.3	Very low	130 Å²	130	94.5 Å²	94.5	57%	0.57	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-61	-26.7	179.2	-101.1	-78.6	0	0	0	113.5	E37 Y43 I44	E37-F41 VanDerWaalsContact O-CD2 3.29Å; E37-F41 WeakPolarHBondContact O-CD2 3.15Å; E37-F41 PolarHBondContact O-N 3.39Å; F41-Y43 VanDerWaalsContact C-N 3.28Å; F41-Y43 PolarHBondContact O-N 3.43Å; F41-I44 HydrophobicContact CD1-CD1 3.44Å; F41-I44 VanDerWaalsContact CD1-CD1 3.44Å; F41-I44 HydrophobicContact CE1-CD1 3.75Å; F41-I44 HydrophobicContact CG-CD1 4.23Å
42	K	36.6	Very low	42.1	Very low	186 Å²	186	92.5 Å²	92.5	81%	0.809	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-73.5	-19.4	173.6	-78.4	-178.3	179.3	171.7	0	113.3	L40	L40-K42 PolarHBondContact O-N 3.23Å
43	Y	37.8	Very low	43.7	Very low	176 Å²	176	93.4 Å²	93.4	69%	0.69	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-97.7	9.9	-177.6	-118	-86.9	0	0	0	113.8	L40 F41 N45	L40-Y43 PolarHBondContact O-N 2.7Å; F41-Y43 VanDerWaalsContact C-N 3.28Å; F41-Y43 PolarHBondContact O-N 3.43Å; Y43-N45 PolarHBondContact O-N 3.49Å
44	I	41.3	Very low	45.3	Very low	77 Å²	77	93.4 Å²	93.4	40%	0.395	46%	0.464	S	S	.	.			trans	-68.6	67.6	165.1	-53.9	175.6	0	0	0	107.9	F41	F41-I44 HydrophobicContact CD1-CD1 3.44Å; F41-I44 VanDerWaalsContact CD1-CD1 3.44Å; F41-I44 HydrophobicContact CE1-CD1 3.75Å; F41-I44 HydrophobicContact CG-CD1 4.23Å
45	N	44.1	Very low	46.9	Very low	100 Å²	100	85.7 Å²	85.7	54%	0.535	44%	0.436	S	S	.	.			trans	-106.1	162	-178	-155.7	3.5	0	0	0	107.9	Y43 T47 S48	Y43-N45 PolarHBondContact O-N 3.49Å; N45-T47 PolarHBondContact O-N 3.11Å; N45-S48 PolarHBondContact O-N 3.49Å
46	S	52.1	Low	48.3	Very low	79 Å²	79	85.7 Å²	85.7	55%	0.552	42%	0.424	S	S	*	.	H	α-helix	trans	-46.2	-25.8	-163.2	59.8	0	0	0	0	117.8	N49 E50	S46-N49 WeakPolarHBondContact O-CB 3.49Å; S46-N49 PolarHBondContact O-N 2.99Å; S46-N49 VanDerWaalsContact O-N 3.13Å; S46-E50 PolarHBondContact O-N 3.35Å
47	T	49.4	Very low	49.5	Very low	70 Å²	70	86.2 Å²	86.2	43%	0.429	43%	0.432	S	S	.	.	H	α-helix	trans	-64.7	-38.8	178.9	-12.5	0	0	0	0	112.5	N45 N49 E50 C51 L80	N45-T47 PolarHBondContact O-N 3.11Å; T47-N49 PolarHBondContact O-N 3.48Å; T47-E50 PolarHBondContact O-N 3.25Å; T47-C51 PolarHBondContact O-N 2.9Å; T47-L80 HydrophobicContact CG2-CD2 4.15Å
48	S	55.4	Low	50.5	Low	2 Å²	2	86.5 Å²	86.5	1%	0.014	44%	0.435	C	S	.	.	H	α-helix	trans	-61.1	-38	172.1	178.2	0	0	0	0	110.7	N45 E50 C51 V52	N45-S48 PolarHBondContact O-N 3.49Å; S48-E50 VanDerWaalsContact C-N 3.3Å; S48-E50 PolarHBondContact O-N 3.06Å; S48-C51 PolarHBondContact O-N 3.43Å; S48-V52 WeakPolarHBondContact O-CB 2.99Å; S48-V52 WeakPolarHBondContact O-CG2 3.39Å; S48-V52 PolarHBondContact O-N 2.03Å
49	N	60.1	Low	51.3	Low	74 Å²	74	84.1 Å²	84.1	40%	0.396	42%	0.417	S	S	.	.	H	α-helix	trans	-67.2	-28.1	-177.8	-64.7	-23	0	0	0	113	S46 T47 R53	S46-N49 WeakPolarHBondContact O-CB 3.49Å; S46-N49 PolarHBondContact O-N 2.99Å; S46-N49 VanDerWaalsContact O-N 3.13Å; T47-N49 PolarHBondContact O-N 3.48Å; N49-R53 WeakPolarHBondContact O-CB 3.46Å; N49-R53 WeakPolarHBondContact O-CG 3.04Å; N49-R53 PolarHBondContact O-N 2.99Å; N49-R53 PolarHBondContact O-NE 3.34Å; N49-R53 VanDerWaalsContact O-NE 3.15Å
50	E	63.2	Low	51.8	Low	123 Å²	123	82 Å²	82	58%	0.575	41%	0.413	S	S	*	.	H	α-helix	trans	-73.9	-48.4	175.9	-173.7	162.4	-168.1	0	0	112.2	S46 T47 S48 V52 R53 K54	S46-E50 PolarHBondContact O-N 3.35Å; T47-E50 PolarHBondContact O-N 3.25Å; S48-E50 VanDerWaalsContact C-N 3.3Å; S48-E50 PolarHBondContact O-N 3.06Å; E50-V52 VanDerWaalsContact C-N 3.34Å; E50-V52 PolarHBondContact O-N 3.31Å; E50-R53 PolarHBondContact O-N 3.24Å; E50-K54 WeakPolarHBondContact O-CB 3.39Å; E50-K54 PolarHBondContact O-N 2.03Å
51	C	62.5	Low	52.2	Low	14 Å²	14	83.6 Å²	83.6	10%	0.095	43%	0.428	C	S	.	.	H	α-helix	trans	-57.2	-48	172.8	168.3	0	0	0	0	111	T47 S48 R53 K54 I55 C76 Y83	T47-C51 PolarHBondContact O-N 2.9Å; S48-C51 PolarHBondContact O-N 3.43Å; C51-R53 VanDerWaalsContact C-N 3.34Å; C51-R53 PolarHBondContact O-N 2.93Å; C51-K54 PolarHBondContact O-N 2.94Å; C51-I55 VanDerWaalsContact O-CB 3.31Å; C51-I55 WeakPolarHBondContact O-CB 3.32Å; C51-I55 WeakPolarHBondContact O-CG1 3.18Å; C51-I55 PolarHBondContact O-N 2.97Å; C51-I55 VanDerWaalsContact SG-CD1 3.51Å; C51-C76 HydrophobicContact CB-CB 3.57Å; C51-C76 WeakPolarHBondContact CB-SG 3.25Å; C51-C76 WeakPolarHBondContact SG-CA 3.22Å; C51-C76 WeakPolarHBondContact SG-CB 3.4Å; C51-C76 CovalentContact SG-SG 2.03Å; C51-C76 PolarHBondContact SG-SG 2.89Å; C51-Y83 VanDerWaalsContact SG-CE2 3.57Å
52	V	63.3	Low	52.4	Low	8 Å²	8	82.5 Å²	82.5	5%	0.048	43%	0.428	C	S	.	.	H	α-helix	trans	-59.5	-42.7	176.4	171.1	0	0	0	0	111.4	S48 E50 R56 C72 C76	S48-V52 WeakPolarHBondContact O-CB 2.99Å; S48-V52 WeakPolarHBondContact O-CG2 3.39Å; S48-V52 PolarHBondContact O-N 2.03Å; E50-V52 VanDerWaalsContact C-N 3.34Å; E50-V52 PolarHBondContact O-N 3.31Å; V52-R56 VanDerWaalsContact O-CB 3.3Å; V52-R56 WeakPolarHBondContact O-CB 3.4Å; V52-R56 VanDerWaalsContact O-CG 3.3Å; V52-R56 WeakPolarHBondContact O-CG 3.02Å; V52-R56 PolarHBondContact O-N 3.44Å; V52-C72 HydrophobicContact CG1-CB 4.39Å; V52-C72 HydrophobicContact CG2-CB 4.15Å; V52-C76 HydrophobicContact CG2-CB 4.42Å; V52-C76 PolarHBondContact N-SG 3.49Å; V52-C76 VanDerWaalsContact N-SG 3.36Å
53	R	64.2	Low	52.5	Low	151 Å²	151	75.2 Å²	75.2	57%	0.57	40%	0.397	S	S	*	.	H	α-helix	trans	-63.1	-48.3	175.9	-84.6	-178.2	-64.3	131.2	-3.2	111.8	N49 E50 C51 R56 S57	N49-R53 WeakPolarHBondContact O-CB 3.46Å; N49-R53 WeakPolarHBondContact O-CG 3.04Å; N49-R53 PolarHBondContact O-N 2.99Å; N49-R53 PolarHBondContact O-NE 3.34Å; N49-R53 VanDerWaalsContact O-NE 3.15Å; E50-R53 PolarHBondContact O-N 3.24Å; C51-R53 VanDerWaalsContact C-N 3.34Å; C51-R53 PolarHBondContact O-N 2.93Å; R53-R56 PolarHBondContact O-N 2.98Å; R53-S57 VanDerWaalsContact O-CB 3.26Å; R53-S57 WeakPolarHBondContact O-CB 3.48Å; R53-S57 PolarHBondContact O-N 3.34Å; R53-S57 PolarHBondContact O-OG 3.5Å
54	K	63.7	Low	52.7	Low	103 Å²	103	72 Å²	72	45%	0.448	39%	0.388	S	S	.	.	H	α-helix	trans	-58.2	-52.8	-179.5	-174.3	176.7	179.1	-175.2	0	109.7	E50 C51 R56 S57 L58	E50-K54 WeakPolarHBondContact O-CB 3.39Å; E50-K54 PolarHBondContact O-N 2.03Å; C51-K54 PolarHBondContact O-N 2.94Å; K54-R56 PolarHBondContact O-N 2.87Å; K54-S57 WeakPolarHBondContact CA-OG 3.48Å; K54-S57 PolarHBondContact O-N 3.31Å; K54-S57 PolarHBondContact O-OG 2.81Å; K54-L58 HydrophobicContact CG-CD1 3.87Å; K54-L58 HydrophobicContact CG-CG 4.37Å; K54-L58 VanDerWaalsContact O-CG 3.31Å; K54-L58 WeakPolarHBondContact O-CG 3.47Å; K54-L58 PolarHBondContact O-N 2.79Å
55	I	58.7	Low	52.8	Low	19 Å²	19	77.7 Å²	77.7	10%	0.097	41%	0.406	C	S	.	.	H	α-helix	trans	-54.6	-49.3	176.4	-70.7	174.8	0	0	0	111.2	C51 S57 F63 Y75	C51-I55 VanDerWaalsContact O-CB 3.31Å; C51-I55 WeakPolarHBondContact O-CB 3.32Å; C51-I55 WeakPolarHBondContact O-CG1 3.18Å; C51-I55 PolarHBondContact O-N 2.97Å; C51-I55 VanDerWaalsContact SG-CD1 3.51Å; I55-S57 VanDerWaalsContact C-N 3.29Å; I55-S57 PolarHBondContact O-N 3.06Å; I55-F63 VanDerWaalsContact C-CE1 3.47Å; I55-F63 HydrophobicContact CB-CE1 4.45Å; I55-F63 HydrophobicContact CB-CZ 4.39Å; I55-F63 HydrophobicContact CG2-CE1 3.35Å; I55-F63 HydrophobicContact CG2-CE2 4.25Å; I55-F63 HydrophobicContact CG2-CZ 3.09Å; I55-F63 VanDerWaalsContact O-CD1 3.26Å; I55-F63 WeakPolarHBondContact O-CD1 3.45Å; I55-F63 WeakPolarHBondContact O-CE1 3.34Å; I55-Y75 HydrophobicContact CD1-CD1 3.65Å; I55-Y75 HydrophobicContact CD1-CE1 3.46Å; I55-Y75 VanDerWaalsContact CD1-CE1 3.46Å
56	R	58.2	Low	52.9	Low	76 Å²	76	78.7 Å²	78.7	29%	0.287	40%	0.402	S	S	.	.	H	α-helix	trans	-68.4	-22.5	177.9	-74.4	179.1	164	176.3	-7.3	114.6	V52 R53 K54 Q64 E69	V52-R56 VanDerWaalsContact O-CB 3.3Å; V52-R56 WeakPolarHBondContact O-CB 3.4Å; V52-R56 VanDerWaalsContact O-CG 3.3Å; V52-R56 WeakPolarHBondContact O-CG 3.02Å; V52-R56 PolarHBondContact O-N 3.44Å; R53-R56 PolarHBondContact O-N 2.98Å; K54-R56 PolarHBondContact O-N 2.87Å; R56-Q64 WeakPolarHBondContact O-CG 3.38Å; R56-Q64 PolarHBondContact O-NE2 3.15Å; R56-E69 IonicContact CZ-OE2 3.23Å; R56-E69 IonicContact NH1-OE2 2.74Å; R56-E69 PolarHBondContact NH1-OE2 3.28Å; R56-E69 VanDerWaalsContact NH2-CA 3.27Å; R56-E69 VanDerWaalsContact NH2-CB 3.33Å; R56-E69 IonicContact NH2-OE2 2.87Å; R56-E69 PolarHBondContact NH2-OE2 2.96Å
57	S	59.7	Low	52.5	Low	87 Å²	87	75.6 Å²	75.6	61%	0.608	38%	0.379	S	S	*	.	H	α-helix	trans	-87.9	-27.4	179.6	70.7	0	0	0	0	114.2	R53 K54 I55 G59	R53-S57 VanDerWaalsContact O-CB 3.26Å; R53-S57 WeakPolarHBondContact O-CB 3.48Å; R53-S57 PolarHBondContact O-N 3.34Å; R53-S57 PolarHBondContact O-OG 3.5Å; K54-S57 WeakPolarHBondContact CA-OG 3.48Å; K54-S57 PolarHBondContact O-N 3.31Å; K54-S57 PolarHBondContact O-OG 2.81Å; I55-S57 VanDerWaalsContact C-N 3.29Å; I55-S57 PolarHBondContact O-N 3.06Å; S57-G59 PolarHBondContact O-N 3.15Å
58	L	54.4	Low	52.6	Low	89 Å²	89	75.1 Å²	75.1	47%	0.466	38%	0.379	S	S	.	.	H	α-helix	trans	-74.5	-13.9	-178.7	-74	168.7	0	0	0	113.2	K54	K54-L58 HydrophobicContact CG-CD1 3.87Å; K54-L58 HydrophobicContact CG-CG 4.37Å; K54-L58 VanDerWaalsContact O-CG 3.31Å; K54-L58 WeakPolarHBondContact O-CG 3.47Å; K54-L58 PolarHBondContact O-N 2.79Å
59	G	47.5	Very low	52.6	Low	21 Å²	21	80.4 Å²	80.4	22%	0.216	40%	0.403	C	S	.	.			trans	-80.5	127.3	-171.3	0	0	0	0	0	115.2	S57 F63	S57-G59 PolarHBondContact O-N 3.15Å; G59-F63 VanDerWaalsContact CA-CB 3.41Å
60	S	42.4	Very low	52.4	Low	85 Å²	85	81.3 Å²	81.3	59%	0.594	41%	0.411	S	S	*	.			trans	-46	148.5	143.9	71.8	0	0	0	0	108.8	N62 F63	S60-N62 PolarHBondContact O-N 2.87Å; S60-F63 WeakPolarHBondContact O-CB 3.01Å; S60-F63 PolarHBondContact O-N 2.84Å
61	S	44.3	Very low	51.9	Low	86 Å²	86	77.1 Å²	77.1	60%	0.601	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.7	-22.4	-173.5	50.5	0	0	0	0	115.1	F63 Y65	S61-F63 VanDerWaalsContact C-N 3.28Å; S61-F63 PolarHBondContact O-N 3.21Å; S61-Y65 WeakPolarHBondContact O-CD2 3.45Å; S61-Y65 WeakPolarHBondContact O-CE2 3.48Å
62	N	41.5	Very low	51.6	Low	106 Å²	106	76.5 Å²	76.5	57%	0.567	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-18.3	174.1	-69.7	-30.7	0	0	0	115.8	S60 R66	S60-N62 PolarHBondContact O-N 2.87Å; N62-R66 WeakPolarHBondContact O-CG 3.46Å; N62-R66 PolarHBondContact O-NE 3Å
63	F	39.3	Very low	51.3	Low	33 Å²	33	76.7 Å²	76.7	15%	0.145	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-45.6	-175	-177.2	-85.6	0	0	0	112.6	I55 G59 S60 S61 Y65 R66 I309	I55-F63 VanDerWaalsContact C-CE1 3.47Å; I55-F63 HydrophobicContact CB-CE1 4.45Å; I55-F63 HydrophobicContact CB-CZ 4.39Å; I55-F63 HydrophobicContact CG2-CE1 3.35Å; I55-F63 HydrophobicContact CG2-CE2 4.25Å; I55-F63 HydrophobicContact CG2-CZ 3.09Å; I55-F63 VanDerWaalsContact O-CD1 3.26Å; I55-F63 WeakPolarHBondContact O-CD1 3.45Å; I55-F63 WeakPolarHBondContact O-CE1 3.34Å; G59-F63 VanDerWaalsContact CA-CB 3.41Å; S60-F63 WeakPolarHBondContact O-CB 3.01Å; S60-F63 PolarHBondContact O-N 2.84Å; S61-F63 VanDerWaalsContact C-N 3.28Å; S61-F63 PolarHBondContact O-N 3.21Å; F63-Y65 PolarHBondContact O-N 2.84Å; F63-R66 PolarHBondContact O-N 3.11Å; F63-R66 VanDerWaalsContact O-N 3.14Å; F63-I309 HydrophobicContact CD2-CD1 4.18Å; F63-I309 HydrophobicContact CE1-CD1 4.26Å; F63-I309 HydrophobicContact CE2-CD1 3.46Å; F63-I309 VanDerWaalsContact CE2-CD1 3.46Å; F63-I309 HydrophobicContact CE2-CG2 4.21Å; F63-I309 HydrophobicContact CZ-CD1 3.43Å; F63-I309 VanDerWaalsContact CZ-CD1 3.43Å
64	Q	40.8	Very low	50.9	Low	108 Å²	108	73 Å²	73	51%	0.505	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.6	-174.2	-70	-176	-4	0	0	113	R56	R56-Q64 WeakPolarHBondContact O-CG 3.38Å; R56-Q64 PolarHBondContact O-NE2 3.15Å
65	Y	43.7	Very low	50.7	Low	197 Å²	197	68.6 Å²	68.6	77%	0.773	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-2.1	-177.2	-62.4	-72.8	0	0	0	115	S61 F63	S61-Y65 WeakPolarHBondContact O-CD2 3.45Å; S61-Y65 WeakPolarHBondContact O-CE2 3.48Å; F63-Y65 PolarHBondContact O-N 2.84Å
66	R	46	Very low	50.8	Low	121 Å²	121	67.7 Å²	67.7	46%	0.457	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-29.5	-174.5	-69.4	-172.8	-164.2	-156	3.3	114.9	N62 F63 T308 I309	N62-R66 WeakPolarHBondContact O-CG 3.46Å; N62-R66 PolarHBondContact O-NE 3Å; F63-R66 PolarHBondContact O-N 3.11Å; F63-R66 VanDerWaalsContact O-N 3.14Å; R66-T308 HydrophobicContact CB-CG2 3.7Å; R66-T308 HydrophobicContact CG-CG2 4.09Å; R66-T308 WeakPolarHBondContact O-CB 3.49Å; R66-T308 VanDerWaalsContact O-CG2 3.3Å; R66-T308 WeakPolarHBondContact O-CG2 3.15Å; R66-T308 PolarHBondContact O-OG1 3.34Å; R66-T308 VanDerWaalsContact O-OG1 3.05Å; R66-I309 HydrophobicContact CB-CD1 4.14Å; R66-I309 HydrophobicContact CB-CG1 4.19Å
67	L	45	Very low	51	Low	15 Å²	15	65.5 Å²	65.5	8%	0.079	35%	0.346	C	S	.	.			trans	-103.5	129.2	175.4	-71.4	171.2	0	0	0	111.6	Q71 C72 I309	L67-Q71 HydrophobicContact CD2-CB 3.69Å; L67-C72 HydrophobicContact CB-CB 4.19Å; L67-C72 HydrophobicContact CD1-CB 3.74Å; L67-I309 HydrophobicContact CB-CD1 4.27Å; L67-I309 HydrophobicContact CD1-CB 4.09Å; L67-I309 HydrophobicContact CD1-CD1 3.3Å; L67-I309 HydrophobicContact CD1-CG1 3.78Å; L67-I309 HydrophobicContact CD2-CB 3.95Å; L67-I309 HydrophobicContact CD2-CD1 4.04Å; L67-I309 HydrophobicContact CD2-CG1 3.63Å; L67-I309 HydrophobicContact CG-CB 4.09Å; L67-I309 HydrophobicContact CG-CD1 3.22Å; L67-I309 HydrophobicContact CG-CG1 3.41Å; L67-I309 VanDerWaalsContact CG-CG1 3.41Å
68	S	51.6	Low	51.1	Low	59 Å²	59	63.7 Å²	63.7	41%	0.413	33%	0.333	S	S	.	.			trans	-62	150.3	153	65.8	0	0	0	0	109.4	T70 Q71 C72	S68-T70 PolarHBondContact O-N 3.32Å; S68-Q71 PolarHBondContact O-N 2.79Å; S68-Q71 VanDerWaalsContact O-N 3.1Å; S68-Q71 WeakPolarHBondContact OG-CG 3.41Å; S68-Q71 PolarHBondContact OG-OE1 3.19Å; S68-C72 PolarHBondContact O-N 2.74Å
69	E	55.1	Low	51.6	Low	114 Å²	114	60 Å²	60	53%	0.533	31%	0.314	S	S	.	.	H	α-helix	trans	-52.6	-43.2	-179.7	-164.9	149.1	142.7	0	0	112.5	R56 Q71 C72 S73	R56-E69 IonicContact CZ-OE2 3.23Å; R56-E69 IonicContact NH1-OE2 2.74Å; R56-E69 PolarHBondContact NH1-OE2 3.28Å; R56-E69 VanDerWaalsContact NH2-CA 3.27Å; R56-E69 VanDerWaalsContact NH2-CB 3.33Å; R56-E69 IonicContact NH2-OE2 2.87Å; R56-E69 PolarHBondContact NH2-OE2 2.96Å; E69-Q71 VanDerWaalsContact C-N 3.33Å; E69-Q71 PolarHBondContact O-N 3.31Å; E69-C72 PolarHBondContact O-N 3.01Å; E69-S73 PolarHBondContact O-N 2.78Å; E69-S73 PolarHBondContact O-OG 3.45Å
70	T	54.4	Low	52.5	Low	92 Å²	92	61 Å²	61	56%	0.564	31%	0.314	S	S	*	.	H	α-helix	trans	-59	-41.7	179.5	-46.3	0	0	0	0	112.7	S68 S73 Y74	S68-T70 PolarHBondContact O-N 3.32Å; T70-S73 PolarHBondContact O-N 3.09Å; T70-Y74 PolarHBondContact O-N 3.03Å
71	Q	52.9	Low	53.9	Low	36 Å²	36	60.4 Å²	60.4	17%	0.168	31%	0.308	C	S	.	.	H	α-helix	trans	-68.6	-39.6	179.6	-66.8	168.3	-45.7	0	0	111.5	L67 S68 E69 Y75 F306	L67-Q71 HydrophobicContact CD2-CB 3.69Å; S68-Q71 PolarHBondContact O-N 2.79Å; S68-Q71 VanDerWaalsContact O-N 3.1Å; S68-Q71 WeakPolarHBondContact OG-CG 3.41Å; S68-Q71 PolarHBondContact OG-OE1 3.19Å; E69-Q71 VanDerWaalsContact C-N 3.33Å; E69-Q71 PolarHBondContact O-N 3.31Å; Q71-Y75 WeakPolarHBondContact O-CB 3.48Å; Q71-Y75 PolarHBondContact O-N 2.88Å; Q71-Y75 VanDerWaalsContact O-N 3.09Å; Q71-F306 HydrophobicContact CB-CB 4.04Å; Q71-F306 HydrophobicContact CB-CD2 3.99Å; Q71-F306 HydrophobicContact CB-CG 4.01Å; Q71-F306 HydrophobicContact CG-CB 3.79Å; Q71-F306 HydrophobicContact CG-CD1 3.77Å; Q71-F306 HydrophobicContact CG-CD2 3.84Å; Q71-F306 HydrophobicContact CG-CE1 4.27Å; Q71-F306 HydrophobicContact CG-CE2 4.35Å; Q71-F306 HydrophobicContact CG-CG 3.51Å
72	C	56	Low	55.2	Low	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.9	-45.3	175.7	-162.6	0	0	0	0	111.2	V52 L67 S68 E69 Y74 Y75 C76	V52-C72 HydrophobicContact CG1-CB 4.39Å; V52-C72 HydrophobicContact CG2-CB 4.15Å; L67-C72 HydrophobicContact CB-CB 4.19Å; L67-C72 HydrophobicContact CD1-CB 3.74Å; S68-C72 PolarHBondContact O-N 2.74Å; E69-C72 PolarHBondContact O-N 3.01Å; C72-Y74 PolarHBondContact O-N 3.48Å; C72-Y75 PolarHBondContact O-N 2.81Å; C72-C76 WeakPolarHBondContact O-CB 3.4Å; C72-C76 PolarHBondContact O-N 3.43Å; C72-C76 PolarHBondContact O-SG 2.7Å
73	S	58	Low	56.4	Low	13 Å²	13	54.5 Å²	54.5	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-60.4	-44.7	177.7	-65.6	0	0	0	0	112.5	E69 T70 C76 I77	E69-S73 PolarHBondContact O-N 2.78Å; E69-S73 PolarHBondContact O-OG 3.45Å; T70-S73 PolarHBondContact O-N 3.09Å; S73-C76 PolarHBondContact O-N 3.17Å; S73-I77 WeakPolarHBondContact O-CB 3.21Å; S73-I77 WeakPolarHBondContact O-CD1 3.45Å; S73-I77 WeakPolarHBondContact O-CG1 3.4Å; S73-I77 PolarHBondContact O-N 3.39Å
74	Y	56.2	Low	57.7	Low	73 Å²	73	57 Å²	57	29%	0.286	28%	0.281	S	S	.	.	H	α-helix	trans	-64.7	-45.7	179.3	-170.8	-101.5	0	0	0	111.8	L40 T70 C72 C76 I77 S78 L305 F306	L40-Y74 HydrophobicContact CD2-CD2 3.94Å; L40-Y74 HydrophobicContact CD2-CE2 3.84Å; T70-Y74 PolarHBondContact O-N 3.03Å; C72-Y74 PolarHBondContact O-N 3.48Å; Y74-C76 VanDerWaalsContact C-N 3.31Å; Y74-C76 PolarHBondContact O-N 2.92Å; Y74-I77 PolarHBondContact O-N 3.07Å; Y74-S78 PolarHBondContact O-N 3.31Å; Y74-S78 PolarHBondContact O-OG 3.12Å; Y74-L305 HydrophobicContact CD1-CB 4.3Å; Y74-L305 HydrophobicContact CD1-CD1 4.1Å; Y74-L305 HydrophobicContact CE1-CB 4.15Å; Y74-L305 HydrophobicContact CE1-CD1 3.44Å; Y74-L305 VanDerWaalsContact CE1-CD1 3.44Å; Y74-L305 HydrophobicContact CE1-CG 4.31Å; Y74-F306 AromaticContact CD1-CE2 3.86Å; Y74-F306 HydrophobicContact CD1-CE2 3.86Å; Y74-F306 HydrophobicContact CG-CE2 4.3Å
75	Y	58.2	Low	59	Low	10 Å²	10	57.7 Å²	57.7	4%	0.039	28%	0.283	C	S	.	.	H	α-helix	trans	-54.9	-47.5	173.6	167.1	-101.5	0	0	0	112.1	I55 Q71 C72 I77 N79 Y83 T302	I55-Y75 HydrophobicContact CD1-CD1 3.65Å; I55-Y75 HydrophobicContact CD1-CE1 3.46Å; I55-Y75 VanDerWaalsContact CD1-CE1 3.46Å; Q71-Y75 WeakPolarHBondContact O-CB 3.48Å; Q71-Y75 PolarHBondContact O-N 2.88Å; Q71-Y75 VanDerWaalsContact O-N 3.09Å; C72-Y75 PolarHBondContact O-N 2.81Å; Y75-I77 PolarHBondContact O-N 3.41Å; Y75-N79 WeakPolarHBondContact CD2-ND2 3.31Å; Y75-N79 VanDerWaalsContact CE2-ND2 3.31Å; Y75-N79 WeakPolarHBondContact CE2-ND2 3.14Å; Y75-N79 PolarHBondContact O-N 2.8Å; Y75-N79 PolarHBondContact O-ND2 3.05Å; Y75-Y83 HydrophobicContact CE1-CE2 4.23Å; Y75-Y83 WeakPolarHBondContact CE1-OH 3.48Å; Y75-Y83 PolarHBondContact OH-OH 2.86Å; Y75-T302 HydrophobicContact CE2-CG2 4.42Å; Y75-T302 WeakPolarHBondContact OH-CB 3.15Å; Y75-T302 WeakPolarHBondContact OH-CG2 3.04Å
76	C	61.8	Low	60.7	Low	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.8	-47.1	176.5	-75.4	0	0	0	0	111.8	C51 V52 C72 S73 Y74 N79 L80	C51-C76 HydrophobicContact CB-CB 3.57Å; C51-C76 WeakPolarHBondContact CB-SG 3.25Å; C51-C76 WeakPolarHBondContact SG-CA 3.22Å; C51-C76 WeakPolarHBondContact SG-CB 3.4Å; C51-C76 CovalentContact SG-SG 2.03Å; C51-C76 PolarHBondContact SG-SG 2.89Å; V52-C76 HydrophobicContact CG2-CB 4.42Å; V52-C76 PolarHBondContact N-SG 3.49Å; V52-C76 VanDerWaalsContact N-SG 3.36Å; C72-C76 WeakPolarHBondContact O-CB 3.4Å; C72-C76 PolarHBondContact O-N 3.43Å; C72-C76 PolarHBondContact O-SG 2.7Å; S73-C76 PolarHBondContact O-N 3.17Å; Y74-C76 VanDerWaalsContact C-N 3.31Å; Y74-C76 PolarHBondContact O-N 2.92Å; C76-N79 PolarHBondContact O-N 3Å; C76-L80 WeakPolarHBondContact O-CG 3.41Å; C76-L80 PolarHBondContact O-N 3Å
77	I	62.4	Low	62.2	Low	30 Å²	30	52.7 Å²	52.7	15%	0.154	28%	0.275	C	S	.	.	H	α-helix	trans	-62	-47.5	-178.9	-69.7	163.8	0	0	0	111.4	L40 S73 Y74 Y75 N79 L80	L40-I77 HydrophobicContact CD1-CG2 4.38Å; L40-I77 HydrophobicContact CD2-CG2 4.07Å; L40-I77 HydrophobicContact CG-CG2 4.36Å; S73-I77 WeakPolarHBondContact O-CB 3.21Å; S73-I77 WeakPolarHBondContact O-CD1 3.45Å; S73-I77 WeakPolarHBondContact O-CG1 3.4Å; S73-I77 PolarHBondContact O-N 3.39Å; Y74-I77 PolarHBondContact O-N 3.07Å; Y75-I77 PolarHBondContact O-N 3.41Å; I77-N79 PolarHBondContact O-N 3.13Å; I77-L80 HydrophobicContact CB-CD1 4.49Å; I77-L80 HydrophobicContact CG2-CD1 4.49Å; I77-L80 WeakPolarHBondContact O-CB 3.15Å; I77-L80 PolarHBondContact O-N 3.23Å
78	S	60.8	Low	64.1	Low	50 Å²	50	58.7 Å²	58.7	35%	0.35	31%	0.307	S	S	.	.	H	α-helix	trans	-65.5	-23.8	-178.3	-61.9	0	0	0	0	113.7	Y74	Y74-S78 PolarHBondContact O-N 3.31Å; Y74-S78 PolarHBondContact O-OG 3.12Å
79	N	65.3	Low	65.9	Low	11 Å²	11	57.7 Å²	57.7	6%	0.059	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	8	-179.1	-65	-74.4	0	0	0	113	Y75 C76 I77 P81 W82 Y83 L186	Y75-N79 WeakPolarHBondContact CD2-ND2 3.31Å; Y75-N79 VanDerWaalsContact CE2-ND2 3.31Å; Y75-N79 WeakPolarHBondContact CE2-ND2 3.14Å; Y75-N79 PolarHBondContact O-N 2.8Å; Y75-N79 PolarHBondContact O-ND2 3.05Å; C76-N79 PolarHBondContact O-N 3Å; I77-N79 PolarHBondContact O-N 3.13Å; N79-P81 VanDerWaalsContact C-CD 3.4Å; N79-P81 VanDerWaalsContact C-N 3.31Å; N79-W82 WeakPolarHBondContact O-CB 3.35Å; N79-W82 PolarHBondContact O-N 2.87Å; N79-Y83 HydrophobicContact CB-CD2 3.96Å; N79-Y83 HydrophobicContact CB-CE2 3.78Å; N79-Y83 VanDerWaalsContact O-CD2 3.32Å; N79-Y83 WeakPolarHBondContact O-CD2 3.48Å; N79-Y83 PolarHBondContact O-N 3.47Å; N79-Y83 VanDerWaalsContact O-N 3.09Å; N79-L186 HydrophobicContact CB-CD1 4.28Å
80	L	67.4	Low	67.7	Low	41 Å²	41	55.2 Å²	55.2	22%	0.215	29%	0.288	C	S	.	.	H	α-helix	trans	-49.9	-43.3	178.7	-83.6	170.3	0	0	0	113.7	T47 C76 I77 W82 Y83 N84	T47-L80 HydrophobicContact CG2-CD2 4.15Å; C76-L80 WeakPolarHBondContact O-CG 3.41Å; C76-L80 PolarHBondContact O-N 3Å; I77-L80 HydrophobicContact CB-CD1 4.49Å; I77-L80 HydrophobicContact CG2-CD1 4.49Å; I77-L80 WeakPolarHBondContact O-CB 3.15Å; I77-L80 PolarHBondContact O-N 3.23Å; L80-W82 PolarHBondContact O-N 3.2Å; L80-Y83 PolarHBondContact O-N 2.67Å; L80-N84 PolarHBondContact O-N 2.96Å; L80-N84 VanDerWaalsContact O-N 3.15Å; L80-N84 PolarHBondContact O-ND2 2.83Å
81	P	70.9	Confident	69.5	Low	74 Å²	74	55.9 Å²	55.9	48%	0.481	29%	0.285	S	S	.	.	H	α-helix	trans	-60.9	-28.4	179.2	-25.1	36.1	0	0	0	113.9	N79 A178	N79-P81 VanDerWaalsContact C-CD 3.4Å; N79-P81 VanDerWaalsContact C-N 3.31Å; P81-A178 HydrophobicContact CB-CB 3.83Å
82	W	72.8	Confident	71.5	Confident	11 Å²	11	54.5 Å²	54.5	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-87.1	-27.8	179.8	-66.5	100.5	0	0	0	112.7	N79 L80 H176 A178 S181 A184 H185 L186 V327	N79-W82 WeakPolarHBondContact O-CB 3.35Å; N79-W82 PolarHBondContact O-N 2.87Å; L80-W82 PolarHBondContact O-N 3.2Å; W82-H176 WeakPolarHBondContact CH2-O 3.23Å; W82-H176 VanDerWaalsContact CZ2-O 3.31Å; W82-H176 WeakPolarHBondContact CZ2-O 3.33Å; W82-A178 HydrophobicContact CD2-CB 3.63Å; W82-A178 HydrophobicContact CE3-CB 4.05Å; W82-A178 HydrophobicContact CG-CB 4.06Å; W82-A178 HydrophobicContact CH2-CB 4.22Å; W82-A178 HydrophobicContact CZ2-CB 3.82Å; W82-A178 HydrophobicContact CZ3-CB 4.35Å; W82-S181 WeakPolarHBondContact CZ3-O 3.46Å; W82-A184 HydrophobicContact CH2-CB 3.88Å; W82-A184 HydrophobicContact CZ3-CB 3.8Å; W82-H185 HydrophobicContact CD2-CB 4.07Å; W82-H185 AromaticContact CD2-ND1 3.86Å; W82-H185 AromaticContact CE2-ND1 3.66Å; W82-H185 HydrophobicContact CE3-CB 3.79Å; W82-H185 AromaticContact CE3-ND1 3.7Å; W82-H185 AromaticContact CH2-CE1 3.88Å; W82-H185 AromaticContact CH2-ND1 3.2Å; W82-H185 WeakPolarHBondContact CH2-ND1 3.01Å; W82-H185 AromaticContact CZ2-CE1 3.85Å; W82-H185 AromaticContact CZ2-ND1 3.37Å; W82-H185 WeakPolarHBondContact CZ2-ND1 3.48Å; W82-H185 HydrophobicContact CZ3-CB 4.14Å; W82-H185 AromaticContact CZ3-ND1 3.34Å; W82-H185 VanDerWaalsContact CZ3-ND1 3.34Å; W82-H185 WeakPolarHBondContact CZ3-ND1 3.49Å; W82-L186 HydrophobicContact CB-CD1 3.39Å; W82-L186 HydrophobicContact CB-CG 3.98Å; W82-V327 HydrophobicContact CZ2-CG1 4Å
83	Y	65.2	Low	73.3	Confident	56 Å²	56	58.2 Å²	58.2	22%	0.22	30%	0.301	C	S	.	.	H	α-helix	trans	-75.2	-32.5	176.6	-82.6	-59.6	0	0	0	113.3	C51 Y75 N79 L80 L186	C51-Y83 VanDerWaalsContact SG-CE2 3.57Å; Y75-Y83 HydrophobicContact CE1-CE2 4.23Å; Y75-Y83 WeakPolarHBondContact CE1-OH 3.48Å; Y75-Y83 PolarHBondContact OH-OH 2.86Å; N79-Y83 HydrophobicContact CB-CD2 3.96Å; N79-Y83 HydrophobicContact CB-CE2 3.78Å; N79-Y83 VanDerWaalsContact O-CD2 3.32Å; N79-Y83 WeakPolarHBondContact O-CD2 3.48Å; N79-Y83 PolarHBondContact O-N 3.47Å; N79-Y83 VanDerWaalsContact O-N 3.09Å; L80-Y83 PolarHBondContact O-N 2.67Å; Y83-L186 HydrophobicContact CD1-CD1 3.74Å; Y83-L186 HydrophobicContact CD2-CD1 3.94Å; Y83-L186 HydrophobicContact CE1-CD1 3.72Å; Y83-L186 HydrophobicContact CE2-CD1 3.93Å; Y83-L186 HydrophobicContact CG-CD1 3.85Å
84	N	67.3	Low	75.1	Confident	87 Å²	87	65 Å²	65	47%	0.465	33%	0.329	S	S	.	.	S	Bend	trans	-82.8	138.6	179.8	-64.1	-29.8	0	0	0	109.8	L80 V86	L80-N84 PolarHBondContact O-N 2.96Å; L80-N84 VanDerWaalsContact O-N 3.15Å; L80-N84 PolarHBondContact O-ND2 2.83Å; N84-V86 PolarHBondContact O-N 3.38Å
85	E	68.4	Low	76.8	Confident	121 Å²	121	63.1 Å²	63.1	57%	0.565	32%	0.322	S	S	*	.			trans	-61.6	126.4	170	-70.9	-168.4	155.4	0	0	109.5	E87 T372 A373	E85-E87 PolarHBondContact O-N 3.24Å; E85-T372 HydrophobicContact CG-CG2 4.39Å; E85-A373 WeakPolarHBondContact OE1-CB 3.49Å; E85-A373 PolarHBondContact OE1-N 3.33Å
86	V	78.3	Confident	78.6	Confident	40 Å²	40	63.1 Å²	63.1	24%	0.242	32%	0.322	C	S	.	.			trans	-80.9	102.3	173	179.6	0	0	0	0	107.5	N84 N88 P89 D179 P182	N84-V86 PolarHBondContact O-N 3.38Å; V86-N88 VanDerWaalsContact C-N 3.33Å; V86-N88 PolarHBondContact O-N 2.91Å; V86-P89 HydrophobicContact CB-CG 4.48Å; V86-P89 HydrophobicContact CG1-CB 4.3Å; V86-P89 HydrophobicContact CG1-CG 4Å; V86-D179 HydrophobicContact CG1-CB 4.4Å; V86-P182 HydrophobicContact CB-CB 4.31Å; V86-P182 HydrophobicContact CG2-CB 4.1Å
87	E	77.3	Confident	80	Confident	174 Å²	174	69.1 Å²	69.1	81%	0.813	35%	0.351	S	S	*	.	S	Bend	trans	-64	-36.7	-177.2	-67.7	-175.3	168.8	0	0	113	E85	E85-E87 PolarHBondContact O-N 3.24Å
88	N	85.3	Confident	81.5	Confident	141 Å²	141	75.7 Å²	75.7	75%	0.754	38%	0.38	S	S	*	.	S	Bend	trans	-131.9	82.9	-177.4	-62.5	-71	0	0	0	110	V86	V86-N88 VanDerWaalsContact C-N 3.33Å; V86-N88 PolarHBondContact O-N 2.91Å
89	P	90	Very high	82.9	Confident	38 Å²	38	78 Å²	78	25%	0.247	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-59.6	143.3	177.6	-24.1	35.2	0	0	0	112	V86 E91 D179 L382	V86-P89 HydrophobicContact CB-CG 4.48Å; V86-P89 HydrophobicContact CG1-CB 4.3Å; V86-P89 HydrophobicContact CG1-CG 4Å; P89-E91 PolarHBondContact O-N 2.81Å; P89-D179 CarbonylContact C-O 3.58Å; P89-D179 WeakPolarHBondContact CA-O 3.35Å; P89-D179 WeakPolarHBondContact CB-O 3.31Å; P89-L382 HydrophobicContact CB-CD1 3.66Å; P89-L382 HydrophobicContact CG-CD1 3.59Å
90	E	92.6	Very high	84.3	Confident	62 Å²	62	78.5 Å²	78.5	29%	0.29	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-74.4	119.5	177.9	-176.1	176.2	-149.1	0	0	110.2	K94 Y95 D179 R180	E90-K94 HydrophobicContact CG-CB 3.58Å; E90-K94 HydrophobicContact CG-CG 3.93Å; E90-K94 WeakPolarHBondContact OE1-CB 3.38Å; E90-Y95 HydrophobicContact CG-CD1 4.13Å; E90-D179 PolarHBondContact N-O 2.71Å; E90-R180 HydrophobicContact CB-CG 3.89Å; E90-R180 IonicContact OE2-CZ 3.48Å; E90-R180 VanDerWaalsContact OE2-CZ 3.23Å; E90-R180 IonicContact OE2-NE 2.81Å; E90-R180 PolarHBondContact OE2-NE 3.14Å; E90-R180 IonicContact OE2-NH2 3.18Å; E90-R180 PolarHBondContact OE2-NH2 3.29Å
91	E	92.9	Very high	85.5	Confident	106 Å²	106	79.4 Å²	79.4	50%	0.495	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-67	146.4	180	-69.6	-68.2	160.1	0	0	112.3	P89 T93 K94	P89-E91 PolarHBondContact O-N 2.81Å; E91-T93 PolarHBondContact O-N 3.43Å; E91-K94 HydrophobicContact CB-CG 4.49Å; E91-K94 VanDerWaalsContact O-CB 3.31Å; E91-K94 WeakPolarHBondContact O-CB 3.29Å; E91-K94 PolarHBondContact O-N 2.88Å
92	P	94.7	Very high	86.6	Confident	6 Å²	6	79.8 Å²	79.8	4%	0.039	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-51.5	-33	179.1	-31.3	38.5	0	0	0	115.2	K94 Y95 M96 Y101 F104 P383	P92-K94 PolarHBondContact O-N 3.3Å; P92-K94 VanDerWaalsContact O-N 3.1Å; P92-Y95 VanDerWaalsContact CA-CE1 3.41Å; P92-Y95 HydrophobicContact CB-CE1 4.44Å; P92-Y95 PolarHBondContact O-N 3.41Å; P92-M96 HydrophobicContact CB-CE 4.3Å; P92-M96 HydrophobicContact CB-CG 4.48Å; P92-M96 HydrophobicContact CB-SD 3.97Å; P92-M96 VanDerWaalsContact O-CB 3.26Å; P92-M96 WeakPolarHBondContact O-CB 3.49Å; P92-M96 WeakPolarHBondContact O-CG 3.4Å; P92-M96 PolarHBondContact O-N 3.09Å; P92-Y101 HydrophobicContact CB-CD2 3.7Å; P92-Y101 HydrophobicContact CB-CE2 3.71Å; P92-Y101 HydrophobicContact CG-CE2 4.35Å; P92-F104 HydrophobicContact CB-CD1 4.48Å; P92-F104 HydrophobicContact CB-CE1 4.36Å; P92-F104 HydrophobicContact CG-CE1 4.1Å; P92-P383 HydrophobicContact CG-CB 3.73Å
93	T	94.4	Very high	87.4	Confident	79 Å²	79	80 Å²	80	49%	0.485	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-66.2	-9.3	178.5	56.3	0	0	0	0	114.4	E91 Y101	E91-T93 PolarHBondContact O-N 3.43Å; T93-Y101 HydrophobicContact CG2-CD1 3.59Å; T93-Y101 HydrophobicContact CG2-CD2 4.28Å; T93-Y101 HydrophobicContact CG2-CE1 3.35Å; T93-Y101 HydrophobicContact CG2-CE2 4.14Å; T93-Y101 HydrophobicContact CG2-CG 4.03Å
94	K	94.4	Very high	88.8	Confident	155 Å²	155	77.6 Å²	77.6	67%	0.674	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-87.8	-27.1	177.1	-62	-63.5	-172.3	178.9	0	113.4	E90 E91 P92	E90-K94 HydrophobicContact CG-CB 3.58Å; E90-K94 HydrophobicContact CG-CG 3.93Å; E90-K94 WeakPolarHBondContact OE1-CB 3.38Å; E91-K94 HydrophobicContact CB-CG 4.49Å; E91-K94 VanDerWaalsContact O-CB 3.31Å; E91-K94 WeakPolarHBondContact O-CB 3.29Å; E91-K94 PolarHBondContact O-N 2.88Å; P92-K94 PolarHBondContact O-N 3.3Å; P92-K94 VanDerWaalsContact O-N 3.1Å
95	Y	93.4	Very high	89.9	Confident	33 Å²	33	78.2 Å²	78.2	13%	0.129	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.9	-4.9	-174.8	65.4	-94.3	0	0	0	114.1	E90 P92 E174 M175 R180 P383	E90-Y95 HydrophobicContact CG-CD1 4.13Å; P92-Y95 VanDerWaalsContact CA-CE1 3.41Å; P92-Y95 HydrophobicContact CB-CE1 4.44Å; P92-Y95 PolarHBondContact O-N 3.41Å; Y95-E174 HydrophobicContact CD2-CB 4.1Å; Y95-M175 HydrophobicContact CE2-CG 3.9Å; Y95-R180 HydrophobicContact CD1-CG 4.06Å; Y95-R180 HydrophobicContact CE1-CB 4.23Å; Y95-R180 VanDerWaalsContact CE1-CD 3.48Å; Y95-R180 HydrophobicContact CE1-CG 3.63Å; Y95-P383 WeakPolarHBondContact OH-CB 3.43Å
96	M	94.3	Very high	91	Very high	11 Å²	11	76.7 Å²	76.7	5%	0.054	38%	0.378	C	S	.	.	S	Bend	trans	-106.9	139.5	170.1	-60.2	-174.8	179.9	0	0	110.5	P92 E100 Y101 F104 T171 M175	P92-M96 HydrophobicContact CB-CE 4.3Å; P92-M96 HydrophobicContact CB-CG 4.48Å; P92-M96 HydrophobicContact CB-SD 3.97Å; P92-M96 VanDerWaalsContact O-CB 3.26Å; P92-M96 WeakPolarHBondContact O-CB 3.49Å; P92-M96 WeakPolarHBondContact O-CG 3.4Å; P92-M96 PolarHBondContact O-N 3.09Å; M96-E100 HydrophobicContact CB-CB 4.07Å; M96-Y101 HydrophobicContact SD-CD2 4.42Å; M96-F104 HydrophobicContact CE-CB 4.38Å; M96-F104 HydrophobicContact CE-CD1 4.12Å; M96-F104 HydrophobicContact CE-CD2 3.91Å; M96-F104 HydrophobicContact CE-CE1 4.4Å; M96-F104 HydrophobicContact CE-CE2 4.22Å; M96-F104 HydrophobicContact CE-CG 3.86Å; M96-F104 HydrophobicContact CE-CZ 4.45Å; M96-F104 HydrophobicContact SD-CB 3.81Å; M96-F104 HydrophobicContact SD-CD1 3.96Å; M96-F104 HydrophobicContact SD-CD2 4.43Å; M96-F104 HydrophobicContact SD-CG 3.8Å; M96-T171 HydrophobicContact CE-CG2 3.89Å; M96-T171 HydrophobicContact CG-CG2 3.77Å; M96-T171 HydrophobicContact SD-CG2 4.26Å; M96-M175 HydrophobicContact CE-CG 3.58Å; M96-M175 HydrophobicContact CE-SD 3.63Å
97	E	92.7	Very high	91.4	Very high	126 Å²	126	75.5 Å²	75.5	59%	0.589	37%	0.37	S	S	*	.			trans	-63.9	161	167.7	-65.2	-170.7	172.3	0	0	111.2	N99 E100 Y101	E97-N99 VanDerWaalsContact C-N 3.32Å; E97-N99 WeakPolarHBondContact CB-OD1 3.42Å; E97-N99 PolarHBondContact O-N 2.89Å; E97-E100 HydrophobicContact CB-CB 4.43Å; E97-E100 HydrophobicContact CB-CG 4.08Å; E97-E100 PolarHBondContact N-OE2 3.44Å; E97-E100 WeakPolarHBondContact O-CB 3.42Å; E97-E100 PolarHBondContact O-N 3.49Å; E97-E100 VanDerWaalsContact O-N 3.13Å; E97-Y101 WeakPolarHBondContact O-CB 3.43Å; E97-Y101 PolarHBondContact O-N 3.23Å
98	E	92.7	Very high	91.9	Very high	167 Å²	167	67.3 Å²	67.3	78%	0.78	33%	0.332	S	S	*	.	H	α-helix	trans	-61.3	-39	-174	-175.8	176.5	-175.4	0	0	113.3	T102	E98-T102 WeakPolarHBondContact O-CB 3.46Å; E98-T102 PolarHBondContact O-N 3.14Å; E98-T102 PolarHBondContact O-OG1 3.21Å
99	N	91.6	Very high	92	Very high	100 Å²	100	64.2 Å²	64.2	54%	0.535	32%	0.321	S	S	.	.	H	α-helix	trans	-64.8	-44.8	173.3	56.6	-16.5	0	0	0	111.6	E97 T102 A103	E97-N99 VanDerWaalsContact C-N 3.32Å; E97-N99 WeakPolarHBondContact CB-OD1 3.42Å; E97-N99 PolarHBondContact O-N 2.89Å; N99-T102 PolarHBondContact O-N 3.48Å; N99-A103 PolarHBondContact O-N 3.39Å
100	E	93.1	Very high	91.8	Very high	21 Å²	21	62.8 Å²	62.8	10%	0.098	31%	0.312	C	S	.	.	H	α-helix	trans	-61.6	-47.8	176.6	-65.4	178.6	175.9	0	0	111	M96 E97 T102 A103 F104 P166 P168 T171	M96-E100 HydrophobicContact CB-CB 4.07Å; E97-E100 HydrophobicContact CB-CB 4.43Å; E97-E100 HydrophobicContact CB-CG 4.08Å; E97-E100 PolarHBondContact N-OE2 3.44Å; E97-E100 WeakPolarHBondContact O-CB 3.42Å; E97-E100 PolarHBondContact O-N 3.49Å; E97-E100 VanDerWaalsContact O-N 3.13Å; E100-T102 VanDerWaalsContact C-N 3.29Å; E100-T102 PolarHBondContact O-N 3.06Å; E100-A103 PolarHBondContact O-N 2.87Å; E100-F104 VanDerWaalsContact O-CB 3.27Å; E100-F104 WeakPolarHBondContact O-CB 3.45Å; E100-F104 PolarHBondContact O-N 3.15Å; E100-P166 WeakPolarHBondContact CA-O 3.39Å; E100-P168 VanDerWaalsContact OE1-CD 3.25Å; E100-P168 WeakPolarHBondContact OE1-CD 3.02Å; E100-P168 VanDerWaalsContact OE1-CG 3.29Å; E100-P168 WeakPolarHBondContact OE1-CG 3.06Å; E100-T171 PolarHBondContact OE2-OG1 3.3Å
101	Y	94.1	Very high	91.3	Very high	59 Å²	59	65.3 Å²	65.3	23%	0.231	32%	0.319	C	S	.	.	H	α-helix	trans	-62.7	-37.6	178.3	-179.9	-124.2	0	0	0	112.1	P92 T93 M96 E97 F104 K105	P92-Y101 HydrophobicContact CB-CD2 3.7Å; P92-Y101 HydrophobicContact CB-CE2 3.71Å; P92-Y101 HydrophobicContact CG-CE2 4.35Å; T93-Y101 HydrophobicContact CG2-CD1 3.59Å; T93-Y101 HydrophobicContact CG2-CD2 4.28Å; T93-Y101 HydrophobicContact CG2-CE1 3.35Å; T93-Y101 HydrophobicContact CG2-CE2 4.14Å; T93-Y101 HydrophobicContact CG2-CG 4.03Å; M96-Y101 HydrophobicContact SD-CD2 4.42Å; E97-Y101 WeakPolarHBondContact O-CB 3.43Å; E97-Y101 PolarHBondContact O-N 3.23Å; Y101-F104 HydrophobicContact CD2-CD1 4.15Å; Y101-F104 HydrophobicContact CE2-CD1 4.35Å; Y101-F104 PolarHBondContact O-N 3.32Å; Y101-K105 HydrophobicContact CD1-CD 4.47Å; Y101-K105 HydrophobicContact CD2-CG 4.3Å; Y101-K105 HydrophobicContact CE1-CD 3.83Å; Y101-K105 VanDerWaalsContact CE1-CE 3.49Å; Y101-K105 HydrophobicContact CE1-CG 4.47Å; Y101-K105 HydrophobicContact CE2-CD 3.99Å; Y101-K105 HydrophobicContact CE2-CG 3.82Å; Y101-K105 WeakPolarHBondContact O-CG 3.43Å; Y101-K105 PolarHBondContact O-N 3.22Å
102	T	92.9	Very high	90.9	Very high	82 Å²	82	62.9 Å²	62.9	50%	0.503	31%	0.31	S	S	.	.	H	α-helix	trans	-64.3	-45.1	175.1	-62	0	0	0	0	111.2	E98 N99 E100 K106	E98-T102 WeakPolarHBondContact O-CB 3.46Å; E98-T102 PolarHBondContact O-N 3.14Å; E98-T102 PolarHBondContact O-OG1 3.21Å; N99-T102 PolarHBondContact O-N 3.48Å; E100-T102 VanDerWaalsContact C-N 3.29Å; E100-T102 PolarHBondContact O-N 3.06Å; T102-K106 PolarHBondContact O-N 2.99Å; T102-K106 VanDerWaalsContact O-N 3.13Å
103	A	90.8	Very high	90.2	Very high	16 Å²	16	63.2 Å²	63.2	13%	0.132	31%	0.311	C	S	.	.	H	α-helix	trans	-64.3	-45.2	175.4	0	0	0	0	0	112	N99 E100 K105 K106 L107 P166 I167	N99-A103 PolarHBondContact O-N 3.39Å; E100-A103 PolarHBondContact O-N 2.87Å; A103-K105 PolarHBondContact O-N 2.89Å; A103-K106 WeakPolarHBondContact O-CB 3.34Å; A103-K106 PolarHBondContact O-N 3.13Å; A103-L107 WeakPolarHBondContact O-CG 3.27Å; A103-L107 PolarHBondContact O-N 3.46Å; A103-P166 HydrophobicContact CB-CB 3.46Å; A103-P166 VanDerWaalsContact CB-CB 3.46Å; A103-P166 WeakPolarHBondContact CB-O 3.49Å; A103-I167 HydrophobicContact CB-CG1 4.12Å
104	F	93.1	Very high	89.2	Confident	6 Å²	6	64.2 Å²	64.2	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-54.4	-52	176.1	172.9	-108.3	0	0	0	111.7	P92 M96 E100 Y101 K106 L107 C108 I167 M175 L200 P383 F384	P92-F104 HydrophobicContact CB-CD1 4.48Å; P92-F104 HydrophobicContact CB-CE1 4.36Å; P92-F104 HydrophobicContact CG-CE1 4.1Å; M96-F104 HydrophobicContact CE-CB 4.38Å; M96-F104 HydrophobicContact CE-CD1 4.12Å; M96-F104 HydrophobicContact CE-CD2 3.91Å; M96-F104 HydrophobicContact CE-CE1 4.4Å; M96-F104 HydrophobicContact CE-CE2 4.22Å; M96-F104 HydrophobicContact CE-CG 3.86Å; M96-F104 HydrophobicContact CE-CZ 4.45Å; M96-F104 HydrophobicContact SD-CB 3.81Å; M96-F104 HydrophobicContact SD-CD1 3.96Å; M96-F104 HydrophobicContact SD-CD2 4.43Å; M96-F104 HydrophobicContact SD-CG 3.8Å; E100-F104 VanDerWaalsContact O-CB 3.27Å; E100-F104 WeakPolarHBondContact O-CB 3.45Å; E100-F104 PolarHBondContact O-N 3.15Å; Y101-F104 HydrophobicContact CD2-CD1 4.15Å; Y101-F104 HydrophobicContact CE2-CD1 4.35Å; Y101-F104 PolarHBondContact O-N 3.32Å; F104-K106 VanDerWaalsContact C-N 3.35Å; F104-K106 PolarHBondContact O-N 2.78Å; F104-L107 PolarHBondContact O-N 3.19Å; F104-C108 WeakPolarHBondContact CE2-SG 3.47Å; F104-C108 WeakPolarHBondContact CZ-SG 3.46Å; F104-C108 WeakPolarHBondContact O-CB 3.44Å; F104-C108 PolarHBondContact O-N 3.05Å; F104-C108 PolarHBondContact O-SG 3.2Å; F104-I167 HydrophobicContact CB-CD1 3.96Å; F104-I167 HydrophobicContact CD2-CD1 4.34Å; F104-M175 HydrophobicContact CD2-CE 4.18Å; F104-M175 HydrophobicContact CD2-SD 4.44Å; F104-M175 HydrophobicContact CE2-CE 3.45Å; F104-M175 VanDerWaalsContact CE2-CE 3.45Å; F104-M175 HydrophobicContact CE2-SD 4.24Å; F104-M175 HydrophobicContact CZ-CE 4.18Å; F104-L200 HydrophobicContact CD2-CD2 3.87Å; F104-L200 HydrophobicContact CE2-CD2 3.82Å; F104-P383 HydrophobicContact CZ-CB 4.12Å; F104-P383 HydrophobicContact CZ-CG 4Å; F104-P383 WeakPolarHBondContact CZ-O 3.45Å; F104-F384 AromaticContact CE2-CD1 4Å; F104-F384 HydrophobicContact CE2-CD1 4Å; F104-F384 HydrophobicContact CE2-CE1 4.16Å; F104-F384 HydrophobicContact CZ-CD1 4.08Å
105	K	92	Very high	88.4	Confident	100 Å²	100	60.7 Å²	60.7	44%	0.435	30%	0.299	S	S	.	.	H	α-helix	trans	-59.1	-44.4	176.6	-77.6	-170.2	-65.4	-176.7	0	112.6	Y101 A103 L107 C108 S109	Y101-K105 HydrophobicContact CD1-CD 4.47Å; Y101-K105 HydrophobicContact CD2-CG 4.3Å; Y101-K105 HydrophobicContact CE1-CD 3.83Å; Y101-K105 VanDerWaalsContact CE1-CE 3.49Å; Y101-K105 HydrophobicContact CE1-CG 4.47Å; Y101-K105 HydrophobicContact CE2-CD 3.99Å; Y101-K105 HydrophobicContact CE2-CG 3.82Å; Y101-K105 WeakPolarHBondContact O-CG 3.43Å; Y101-K105 PolarHBondContact O-N 3.22Å; A103-K105 PolarHBondContact O-N 2.89Å; K105-L107 VanDerWaalsContact C-N 3.35Å; K105-L107 PolarHBondContact O-N 3.36Å; K105-C108 PolarHBondContact O-N 2.98Å; K105-S109 PolarHBondContact O-N 2.85Å; K105-S109 PolarHBondContact O-OG 3.27Å
106	K	89.6	Confident	88	Confident	89 Å²	89	59.5 Å²	59.5	39%	0.387	30%	0.295	S	S	.	.	H	α-helix	trans	-57.8	-50.2	177.5	-178.3	-179.7	-178.4	175.4	0	110.3	T102 A103 F104 C108 S109 C110 E118	T102-K106 PolarHBondContact O-N 2.99Å; T102-K106 VanDerWaalsContact O-N 3.13Å; A103-K106 WeakPolarHBondContact O-CB 3.34Å; A103-K106 PolarHBondContact O-N 3.13Å; F104-K106 VanDerWaalsContact C-N 3.35Å; F104-K106 PolarHBondContact O-N 2.78Å; K106-C108 PolarHBondContact O-N 2.9Å; K106-S109 PolarHBondContact O-N 2.85Å; K106-S109 PolarHBondContact O-OG 2.91Å; K106-C110 PolarHBondContact O-N 3.32Å; K106-C110 VanDerWaalsContact O-N 3.1Å; K106-E118 VanDerWaalsContact CE-OE1 3.3Å; K106-E118 WeakPolarHBondContact CE-OE1 3.38Å; K106-E118 IonicContact NZ-OE1 3.01Å; K106-E118 PolarHBondContact NZ-OE1 3.48Å; K106-E118 IonicContact NZ-OE2 2.58Å; K106-E118 PolarHBondContact NZ-OE2 3.03Å
107	L	88.3	Confident	87.2	Confident	15 Å²	15	59.4 Å²	59.4	8%	0.079	30%	0.295	C	S	.	.	H	α-helix	trans	-67.2	-34.9	-179.6	-65.7	-176.3	0	0	0	113	A103 F104 K105 S109 C110 C116 I167 R199 L200 T203	A103-L107 WeakPolarHBondContact O-CG 3.27Å; A103-L107 PolarHBondContact O-N 3.46Å; F104-L107 PolarHBondContact O-N 3.19Å; K105-L107 VanDerWaalsContact C-N 3.35Å; K105-L107 PolarHBondContact O-N 3.36Å; L107-S109 VanDerWaalsContact C-N 3.29Å; L107-S109 PolarHBondContact O-N 2.85Å; L107-C110 PolarHBondContact O-N 3.07Å; L107-C110 PolarHBondContact O-SG 2.79Å; L107-C116 WeakPolarHBondContact CD2-O 3.31Å; L107-I167 HydrophobicContact CD1-CD1 3.89Å; L107-R199 PolarHBondContact O-NH1 3.35Å; L107-R199 PolarHBondContact O-NH2 3.07Å; L107-L200 HydrophobicContact CB-CD1 3.36Å; L107-L200 HydrophobicContact CD1-CD1 3.83Å; L107-L200 HydrophobicContact CG-CD1 4.24Å; L107-T203 HydrophobicContact CD2-CG2 3.76Å
108	C	87.7	Confident	86.1	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.014	30%	0.296	C	S	.	.	H	α-helix	trans	-64.3	-32.2	172.8	-70.7	0	0	0	0	112.8	F104 K105 K106 R111	F104-C108 WeakPolarHBondContact CE2-SG 3.47Å; F104-C108 WeakPolarHBondContact CZ-SG 3.46Å; F104-C108 WeakPolarHBondContact O-CB 3.44Å; F104-C108 PolarHBondContact O-N 3.05Å; F104-C108 PolarHBondContact O-SG 3.2Å; K105-C108 PolarHBondContact O-N 2.98Å; K106-C108 PolarHBondContact O-N 2.9Å; C108-R111 PolarHBondContact O-NH1 2.92Å; C108-R111 PolarHBondContact O-NH2 3.17Å; C108-R111 VanDerWaalsContact O-NH2 3.16Å
109	S	86.5	Confident	84.7	Confident	75 Å²	75	54 Å²	54	52%	0.524	27%	0.269	S	S	.	.	H	α-helix	trans	-85.4	-22.2	179.8	67.8	0	0	0	0	114.6	K105 K106 L107 R111	K105-S109 PolarHBondContact O-N 2.85Å; K105-S109 PolarHBondContact O-OG 3.27Å; K106-S109 PolarHBondContact O-N 2.85Å; K106-S109 PolarHBondContact O-OG 2.91Å; L107-S109 VanDerWaalsContact C-N 3.29Å; L107-S109 PolarHBondContact O-N 2.85Å; S109-R111 PolarHBondContact O-N 3.49Å
110	C	86.4	Confident	83.2	Confident	9 Å²	9	54.7 Å²	54.7	6%	0.061	27%	0.272	C	S	.	.			trans	-75.4	131.4	-174	70.7	0	0	0	0	110.8	K106 L107 N115 C116 R199	K106-C110 PolarHBondContact O-N 3.32Å; K106-C110 VanDerWaalsContact O-N 3.1Å; L107-C110 PolarHBondContact O-N 3.07Å; L107-C110 PolarHBondContact O-SG 2.79Å; C110-N115 HydrophobicContact CB-CB 4.49Å; C110-C116 HydrophobicContact CB-CB 4.03Å; C110-C116 WeakPolarHBondContact CB-SG 3.37Å; C110-C116 WeakPolarHBondContact SG-CA 3.16Å; C110-C116 WeakPolarHBondContact SG-CB 3.21Å; C110-C116 CovalentContact SG-SG 2.02Å; C110-C116 PolarHBondContact SG-SG 3.42Å; C110-R199 PolarHBondContact O-NH2 3.28Å; C110-R199 VanDerWaalsContact O-NH2 3.13Å; C110-R199 PolarHBondContact SG-NH2 3.17Å
111	R	82.8	Confident	81.4	Confident	115 Å²	115	60.5 Å²	60.5	43%	0.434	30%	0.3	S	S	.	.			trans	-117.2	4.4	-176.3	-67.8	-69.8	173.9	-80	-5.8	113.5	C108 S109	C108-R111 PolarHBondContact O-NH1 2.92Å; C108-R111 PolarHBondContact O-NH2 3.17Å; C108-R111 VanDerWaalsContact O-NH2 3.16Å; S109-R111 PolarHBondContact O-N 3.49Å
112	D	83.6	Confident	79.6	Confident	55 Å²	55	66.5 Å²	66.5	29%	0.294	33%	0.327	S	S	.	.	S	Bend	trans	-138.2	151.9	173.9	67.1	80.7	0	0	0	110.5	Q114 N115 C116	D112-Q114 PolarHBondContact O-N 3.27Å; D112-Q114 PolarHBondContact OD1-N 2.9Å; D112-Q114 VanDerWaalsContact OD1-N 3.09Å; D112-N115 WeakPolarHBondContact OD1-CB 3.33Å; D112-N115 PolarHBondContact OD1-N 3.18Å; D112-N115 PolarHBondContact OD1-ND2 2.49Å; D112-N115 PolarHBondContact OD2-ND2 2.83Å; D112-C116 PolarHBondContact O-N 3.26Å; D112-C116 PolarHBondContact O-SG 2.92Å
113	L	79.9	Confident	78	Confident	12 Å²	12	69.7 Å²	69.7	6%	0.063	34%	0.341	C	S	.	.	H	α-helix	trans	-61.8	-30.6	-176.3	-75.3	174.9	0	0	0	113.7	L117 A132 T134 I399 F400	L113-L117 WeakPolarHBondContact O-CB 3.49Å; L113-L117 PolarHBondContact O-N 2.82Å; L113-L117 VanDerWaalsContact O-N 3.14Å; L113-A132 WeakPolarHBondContact CB-O 3.5Å; L113-T134 WeakPolarHBondContact CD1-O 3.29Å; L113-I399 WeakPolarHBondContact CD1-O 3.44Å; L113-I399 HydrophobicContact CG-CG2 4.33Å; L113-I399 WeakPolarHBondContact CG-O 3.48Å; L113-F400 HydrophobicContact CD2-CD1 3.87Å; L113-F400 HydrophobicContact CD2-CE1 4.46Å
114	Q	74.1	Confident	76.8	Confident	100 Å²	100	70.3 Å²	70.3	47%	0.467	34%	0.343	S	S	.	.	H	α-helix	trans	-72	-44.3	-175	176.5	170.8	-25.4	0	0	111.3	D112 C116 L117	D112-Q114 PolarHBondContact O-N 3.27Å; D112-Q114 PolarHBondContact OD1-N 2.9Å; D112-Q114 VanDerWaalsContact OD1-N 3.09Å; Q114-C116 VanDerWaalsContact C-N 3.34Å; Q114-L117 CarbonylContact O-C 3.56Å
115	N	77.9	Confident	75.9	Confident	81 Å²	81	73 Å²	73	43%	0.433	36%	0.363	S	S	.	.	H	α-helix	trans	-75.4	-26	179	-68.9	-28.2	0	0	0	112	C110 D112	C110-N115 HydrophobicContact CB-CB 4.49Å; D112-N115 WeakPolarHBondContact OD1-CB 3.33Å; D112-N115 PolarHBondContact OD1-N 3.18Å; D112-N115 PolarHBondContact OD1-ND2 2.49Å; D112-N115 PolarHBondContact OD2-ND2 2.83Å
116	C	83.4	Confident	74.9	Confident	9 Å²	9	77.3 Å²	77.3	6%	0.061	38%	0.376	C	S	.	.	H	α-helix	trans	-73.2	-32.7	173.5	-64.9	0	0	0	0	113.6	L107 C110 D112 Q114 R199 T203	L107-C116 WeakPolarHBondContact CD2-O 3.31Å; C110-C116 HydrophobicContact CB-CB 4.03Å; C110-C116 WeakPolarHBondContact CB-SG 3.37Å; C110-C116 WeakPolarHBondContact SG-CA 3.16Å; C110-C116 WeakPolarHBondContact SG-CB 3.21Å; C110-C116 CovalentContact SG-SG 2.02Å; C110-C116 PolarHBondContact SG-SG 3.42Å; D112-C116 PolarHBondContact O-N 3.26Å; D112-C116 PolarHBondContact O-SG 2.92Å; Q114-C116 VanDerWaalsContact C-N 3.34Å; C116-R199 PolarHBondContact SG-NH2 2.95Å; C116-T203 HydrophobicContact CB-CG2 3.85Å
117	L	77.1	Confident	74.2	Confident	9 Å²	9	80.7 Å²	80.7	5%	0.047	39%	0.387	C	S	.	.	S	Bend	trans	-118.6	62.2	-174.3	-61.2	175	0	0	0	110.8	L113 Q114 F119 A132 T203 R206	L113-L117 WeakPolarHBondContact O-CB 3.49Å; L113-L117 PolarHBondContact O-N 2.82Å; L113-L117 VanDerWaalsContact O-N 3.14Å; Q114-L117 CarbonylContact O-C 3.56Å; L117-F119 HydrophobicContact CB-CD2 4.36Å; L117-F119 HydrophobicContact CB-CE2 3.85Å; L117-F119 WeakPolarHBondContact O-CD2 3.37Å; L117-F119 PolarHBondContact O-N 3.05Å; L117-A132 HydrophobicContact CB-CB 4.45Å; L117-A132 HydrophobicContact CD1-CB 4.27Å; L117-T203 HydrophobicContact CD2-CG2 3.89Å; L117-T203 WeakPolarHBondContact CD2-O 3.32Å; L117-T203 HydrophobicContact CG-CG2 4.48Å; L117-R206 HydrophobicContact CD1-CB 3.81Å; L117-R206 HydrophobicContact CD2-CB 3.84Å
118	E	69.7	Low	73.6	Confident	129 Å²	129	84.4 Å²	84.4	60%	0.603	40%	0.402	S	S	*	.			trans	-68	97.2	176	-78.4	176	-149.7	0	0	110.8	K106	K106-E118 VanDerWaalsContact CE-OE1 3.3Å; K106-E118 WeakPolarHBondContact CE-OE1 3.38Å; K106-E118 IonicContact NZ-OE1 3.01Å; K106-E118 PolarHBondContact NZ-OE1 3.48Å; K106-E118 IonicContact NZ-OE2 2.58Å; K106-E118 PolarHBondContact NZ-OE2 3.03Å
119	F	65	Low	72.8	Confident	51 Å²	51	87.9 Å²	87.9	22%	0.224	42%	0.417	C	S	.	.			trans	-88	134	167.6	-68.7	-75.3	0	0	0	110.1	L117 Q121 V124 A132 R206 P210	L117-F119 HydrophobicContact CB-CD2 4.36Å; L117-F119 HydrophobicContact CB-CE2 3.85Å; L117-F119 WeakPolarHBondContact O-CD2 3.37Å; L117-F119 PolarHBondContact O-N 3.05Å; F119-Q121 PolarHBondContact O-N 3.3Å; F119-V124 HydrophobicContact CB-CB 4.34Å; F119-V124 HydrophobicContact CB-CG1 4.49Å; F119-V124 HydrophobicContact CB-CG2 3.82Å; F119-V124 HydrophobicContact CD1-CG2 4.11Å; F119-V124 HydrophobicContact CG-CG1 4.49Å; F119-V124 HydrophobicContact CG-CG2 4.22Å; F119-A132 HydrophobicContact CD2-CB 4.02Å; F119-A132 HydrophobicContact CE2-CB 3.66Å; F119-R206 WeakPolarHBondContact CZ-O 3.18Å; F119-P210 HydrophobicContact CE2-CB 3.89Å; F119-P210 HydrophobicContact CE2-CG 4.11Å; F119-P210 HydrophobicContact CZ-CB 3.86Å; F119-P210 HydrophobicContact CZ-CG 3.83Å
120	D	59.7	Low	72.3	Confident	113 Å²	113	92.6 Å²	92.6	60%	0.604	42%	0.423	S	S	*	.			trans	-55.4	117.6	170	-169.9	-16	0	0	0	108.6	K122 D123	D120-K122 PolarHBondContact O-N 3.32Å; D120-K122 PolarHBondContact OD1-N 3.33Å; D120-D123 PolarHBondContact O-N 3.02Å
121	Q	54.2	Low	71.8	Confident	144 Å²	144	94.6 Å²	94.6	67%	0.673	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.2	-165.9	-65.2	-173.8	-3.1	0	0	112.8	F119 K129	F119-Q121 PolarHBondContact O-N 3.3Å; Q121-K129 PolarHBondContact O-NZ 2.73Å
122	K	57.8	Low	71.5	Confident	185 Å²	185	89.4 Å²	89.4	80%	0.804	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-30.5	-173	-69.8	-177.4	178.8	177.5	0	114.1	D120	D120-K122 PolarHBondContact O-N 3.32Å; D120-K122 PolarHBondContact OD1-N 3.33Å
123	D	58.2	Low	71.4	Confident	148 Å²	148	93.7 Å²	93.7	79%	0.791	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-1.2	-169.1	-70.6	-29.7	0	0	0	115.4	D120	D120-D123 PolarHBondContact O-N 3.02Å
124	V	65.7	Low	71.8	Confident	29 Å²	29	96.3 Å²	96.3	18%	0.176	44%	0.442	C	S	.	.			trans	-100.8	123.4	-174.6	-177.5	0	0	0	0	112.2	F119 K128 K129	F119-V124 HydrophobicContact CB-CB 4.34Å; F119-V124 HydrophobicContact CB-CG1 4.49Å; F119-V124 HydrophobicContact CB-CG2 3.82Å; F119-V124 HydrophobicContact CD1-CG2 4.11Å; F119-V124 HydrophobicContact CG-CG1 4.49Å; F119-V124 HydrophobicContact CG-CG2 4.22Å; V124-K128 HydrophobicContact CG1-CB 3.29Å; V124-K128 HydrophobicContact CG1-CD 3.98Å; V124-K128 HydrophobicContact CG1-CG 4.25Å; V124-K129 HydrophobicContact CG1-CG 4.21Å; V124-K129 VanDerWaalsContact O-CE 3.27Å; V124-K129 WeakPolarHBondContact O-CE 3.14Å
125	S	74.8	Confident	72.7	Confident	63 Å²	63	93.1 Å²	93.1	44%	0.441	43%	0.43	S	S	.	.			trans	-52.7	148.8	176.9	74.4	0	0	0	0	112.5	R127 K128 K129	S125-R127 PolarHBondContact O-N 3.05Å; S125-R127 VanDerWaalsContact O-N 3.1Å; S125-K128 PolarHBondContact O-N 3.26Å; S125-K128 VanDerWaalsContact O-N 3.09Å; S125-K128 PolarHBondContact OG-N 2.57Å; S125-K129 PolarHBondContact O-N 3.18Å; S125-K129 VanDerWaalsContact O-N 3.12Å
126	W	70.6	Confident	73.5	Confident	191 Å²	191	89.4 Å²	89.4	72%	0.723	41%	0.41	S	S	*	.	H	α-helix	trans	-53.5	-34.1	177.7	72.3	-94.9	0	0	0	112.5	K129 R130	W126-K129 PolarHBondContact O-N 2.99Å; W126-R130 PolarHBondContact O-N 2.77Å
127	R	74.8	Confident	74.1	Confident	160 Å²	160	92.9 Å²	92.9	60%	0.604	43%	0.428	S	S	*	.	H	α-helix	trans	-63.9	-49.2	178.7	-176	176.9	-179.7	164.6	0.3	111.3	S125 K129 R130 Q131	S125-R127 PolarHBondContact O-N 3.05Å; S125-R127 VanDerWaalsContact O-N 3.1Å; R127-K129 VanDerWaalsContact C-N 3.33Å; R127-K129 PolarHBondContact O-N 2.99Å; R127-R130 PolarHBondContact O-N 3.49Å; R127-Q131 WeakPolarHBondContact O-CG 3.41Å; R127-Q131 PolarHBondContact O-N 2.69Å; R127-Q131 PolarHBondContact O-OE1 3.15Å
128	K	75.5	Confident	75.1	Confident	93 Å²	93	92.5 Å²	92.5	40%	0.404	43%	0.426	S	S	.	.	H	α-helix	trans	-61.8	-40	176.6	-79.3	-170.9	174.9	-169.2	0	111.6	V124 S125 R130 Q131 A132 P210	V124-K128 HydrophobicContact CG1-CB 3.29Å; V124-K128 HydrophobicContact CG1-CD 3.98Å; V124-K128 HydrophobicContact CG1-CG 4.25Å; S125-K128 PolarHBondContact O-N 3.26Å; S125-K128 VanDerWaalsContact O-N 3.09Å; S125-K128 PolarHBondContact OG-N 2.57Å; K128-R130 PolarHBondContact O-N 2.97Å; K128-Q131 PolarHBondContact O-N 2.72Å; K128-A132 WeakPolarHBondContact O-CB 3.29Å; K128-A132 PolarHBondContact O-N 3.21Å; K128-P210 HydrophobicContact CB-CG 3.97Å; K128-P210 HydrophobicContact CG-CG 4.08Å
129	K	70.5	Confident	76.5	Confident	75 Å²	75	88.6 Å²	88.6	33%	0.326	41%	0.405	S	S	.	.	H	α-helix	trans	-60	-43.4	174.8	-69.8	179.6	178.8	172	0	112.4	Q121 V124 S125 W126 R127 R133	Q121-K129 PolarHBondContact O-NZ 2.73Å; V124-K129 HydrophobicContact CG1-CG 4.21Å; V124-K129 VanDerWaalsContact O-CE 3.27Å; V124-K129 WeakPolarHBondContact O-CE 3.14Å; S125-K129 PolarHBondContact O-N 3.18Å; S125-K129 VanDerWaalsContact O-N 3.12Å; W126-K129 PolarHBondContact O-N 2.99Å; R127-K129 VanDerWaalsContact C-N 3.33Å; R127-K129 PolarHBondContact O-N 2.99Å; K129-R133 WeakPolarHBondContact O-CG 3.33Å; K129-R133 PolarHBondContact O-N 3.33Å
130	R	75.7	Confident	78.1	Confident	173 Å²	173	86.2 Å²	86.2	65%	0.653	40%	0.395	S	S	*	.	H	α-helix	trans	-65.8	-43.4	176.6	-177.8	-179.4	167.8	-168.5	-3.7	111.7	W126 R127 K128 A132 R133 T134	W126-R130 PolarHBondContact O-N 2.77Å; R127-R130 PolarHBondContact O-N 3.49Å; K128-R130 PolarHBondContact O-N 2.97Å; R130-A132 VanDerWaalsContact C-N 3.33Å; R130-A132 PolarHBondContact O-N 3.43Å; R130-R133 PolarHBondContact O-N 2.82Å; R130-T134 PolarHBondContact O-N 3.01Å; R130-T134 PolarHBondContact O-OG1 3.28Å
131	Q	77.7	Confident	79.9	Confident	52 Å²	52	80.8 Å²	80.8	24%	0.243	37%	0.366	C	S	.	.	H	α-helix	trans	-62.2	-40.9	178.6	-72.4	170.3	-48	0	0	111.7	R127 K128 R133 T134 R206 P210 S211	R127-Q131 WeakPolarHBondContact O-CG 3.41Å; R127-Q131 PolarHBondContact O-N 2.69Å; R127-Q131 PolarHBondContact O-OE1 3.15Å; K128-Q131 PolarHBondContact O-N 2.72Å; Q131-R133 PolarHBondContact O-N 3.42Å; Q131-T134 PolarHBondContact O-N 2.81Å; Q131-R206 PolarHBondContact O-NH2 3.42Å; Q131-P210 CarbonylContact C-O 3.6Å; Q131-P210 HydrophobicContact CB-CB 4.36Å; Q131-S211 VanDerWaalsContact NE2-CB 3.31Å
132	A	75.5	Confident	82	Confident	5 Å²	5	74 Å²	74	4%	0.041	33%	0.334	C	S	.	.	H	α-helix	trans	-59.5	-32.9	176.7	0	0	0	0	0	112.7	L113 L117 F119 K128 R130 P210	L113-A132 WeakPolarHBondContact CB-O 3.5Å; L117-A132 HydrophobicContact CB-CB 4.45Å; L117-A132 HydrophobicContact CD1-CB 4.27Å; F119-A132 HydrophobicContact CD2-CB 4.02Å; F119-A132 HydrophobicContact CE2-CB 3.66Å; K128-A132 WeakPolarHBondContact O-CB 3.29Å; K128-A132 PolarHBondContact O-N 3.21Å; R130-A132 VanDerWaalsContact C-N 3.33Å; R130-A132 PolarHBondContact O-N 3.43Å; A132-P210 HydrophobicContact CB-CB 3.86Å
133	R	81.2	Confident	84	Confident	146 Å²	146	66.5 Å²	66.5	55%	0.551	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-0.3	-177.9	-64.7	175.5	-179.1	-170.6	-2.9	114.6	K129 R130 Q131	K129-R133 WeakPolarHBondContact O-CG 3.33Å; K129-R133 PolarHBondContact O-N 3.33Å; R130-R133 PolarHBondContact O-N 2.82Å; Q131-R133 PolarHBondContact O-N 3.42Å
134	T	87.9	Confident	85.9	Confident	66 Å²	66	60 Å²	60	41%	0.405	27%	0.27	S	S	.	.	S	Bend	trans	-106.1	135.6	-178.8	-52	0	0	0	0	109	L113 R130 Q131 A136 R206	L113-T134 WeakPolarHBondContact CD1-O 3.29Å; R130-T134 PolarHBondContact O-N 3.01Å; R130-T134 PolarHBondContact O-OG1 3.28Å; Q131-T134 PolarHBondContact O-N 2.81Å; T134-A136 PolarHBondContact O-N 2.82Å; T134-R206 PolarHBondContact O-NH2 3.32Å
135	P	93.1	Very high	87.4	Confident	33 Å²	33	61.2 Å²	61.2	21%	0.214	28%	0.279	C	S	.	.			trans	-50.3	135.4	172.4	-23.9	30.1	0	0	0	111	I399 F400 R402	P135-I399 WeakPolarHBondContact CG-O 3.49Å; P135-F400 CarbonylContact C-O 3.31Å; P135-F400 VanDerWaalsContact CA-O 3.28Å; P135-F400 WeakPolarHBondContact CA-O 3.48Å; P135-R402 HydrophobicContact CB-CG 4.27Å
136	A	95.2	Very high	88.4	Confident	3 Å²	3	62.6 Å²	62.6	3%	0.025	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	137.2	176.9	0	0	0	0	0	110.7	T134 E202 F400 Y401 R402	T134-A136 PolarHBondContact O-N 2.82Å; A136-E202 HydrophobicContact CB-CG 4.43Å; A136-F400 PolarHBondContact N-O 3.13Å; A136-Y401 CarbonylContact O-C 3.47Å; A136-Y401 WeakPolarHBondContact O-CA 3.24Å; A136-Y401 WeakPolarHBondContact O-CB 3.42Å; A136-R402 PolarHBondContact O-N 3.33Å
137	L	96.7	Very high	89.7	Confident	83 Å²	83	58.1 Å²	58.1	44%	0.435	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	105.2	174.4	-176.1	65.6	0	0	0	109.6	R139 R402 Q404	L137-R139 HydrophobicContact CD2-CG 4.18Å; L137-R139 HydrophobicContact CG-CG 3.98Å; L137-R402 HydrophobicContact CD1-CB 4.41Å; L137-Q404 HydrophobicContact CD1-CB 4.25Å
138	R	98.3	Very high	90.8	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	122.1	176.7	-61.8	-173.8	172	179.8	2.7	109.7	E202 L214 T341 D344 Y401 R402 Y403 Q404	R138-E202 IonicContact CZ-OE1 3.93Å; R138-E202 IonicContact CZ-OE2 3.66Å; R138-E202 IonicContact NE-OE1 3.88Å; R138-E202 PolarHBondContact NE-OE1 3.2Å; R138-E202 IonicContact NE-OE2 3.94Å; R138-E202 PolarHBondContact NE-OE2 3.37Å; R138-E202 IonicContact NH2-OE1 2.87Å; R138-E202 PolarHBondContact NH2-OE1 3.15Å; R138-E202 IonicContact NH2-OE2 2.77Å; R138-L214 VanDerWaalsContact CA-O 3.32Å; R138-L214 WeakPolarHBondContact CA-O 3.5Å; R138-L214 WeakPolarHBondContact CB-O 3.3Å; R138-L214 HydrophobicContact CG-CB 4.5Å; R138-L214 WeakPolarHBondContact CG-O 3.26Å; R138-T341 HydrophobicContact CB-CG2 4.39Å; R138-T341 HydrophobicContact CG-CG2 4.42Å; R138-D344 IonicContact NH1-OD2 3.7Å; R138-Y401 VanDerWaalsContact NH2-CD1 3.28Å; R138-R402 PolarHBondContact N-O 2.91Å; R138-Y403 HydrophobicContact CB-CD1 3.59Å; R138-Y403 HydrophobicContact CB-CE1 3.59Å; R138-Y403 VanDerWaalsContact CD-CE1 3.44Å; R138-Y403 HydrophobicContact CG-CE1 4.14Å; R138-Y403 PolarHBondContact NH1-OH 3.42Å; R138-Q404 PolarHBondContact O-N 2.85Å
139	R	98.2	Very high	91.9	Very high	47 Å²	47	49 Å²	49	18%	0.177	24%	0.237	C	C	.	.			trans	-128.7	159.6	-173.1	-69.9	-177.9	-74.6	166.8	-9	111.5	L137 Y141 L144 E148 P215 Y216 Q404	L137-R139 HydrophobicContact CD2-CG 4.18Å; L137-R139 HydrophobicContact CG-CG 3.98Å; R139-Y141 PolarHBondContact O-N 3.4Å; R139-L144 HydrophobicContact CB-CD2 4.11Å; R139-E148 IonicContact CZ-OE1 3.52Å; R139-E148 IonicContact CZ-OE2 3.54Å; R139-E148 VanDerWaalsContact CZ-OE2 3.3Å; R139-E148 IonicContact NH1-OE1 3.55Å; R139-E148 PolarHBondContact NH1-OE1 3.23Å; R139-E148 IonicContact NH1-OE2 2.73Å; R139-E148 PolarHBondContact NH1-OE2 3.05Å; R139-E148 IonicContact NH2-OE1 3.49Å; R139-E148 PolarHBondContact NH2-OE1 3.14Å; R139-E148 IonicContact NH2-OE2 2.77Å; R139-E148 PolarHBondContact NH2-OE2 3.47Å; R139-P215 CarbonylContact O-C 3.53Å; R139-P215 WeakPolarHBondContact O-CA 3.35Å; R139-P215 WeakPolarHBondContact O-CB 3.21Å; R139-Y216 PolarHBondContact O-N 3.05Å; R139-Q404 HydrophobicContact CG-CB 3.77Å; R139-Q404 HydrophobicContact CG-CG 4.47Å; R139-Q404 VanDerWaalsContact CG-OE1 3.27Å
140	E	98.7	Very high	93.2	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-61.6	130.8	172.1	-156.7	-69	146.8	0	0	108.8	R142 T143 Y216 D218 L221 P407	E140-R142 VanDerWaalsContact C-N 3.29Å; E140-R142 PolarHBondContact O-N 3.18Å; E140-R142 IonicContact OE1-CZ 3.98Å; E140-R142 VanDerWaalsContact OE1-CZ 3.25Å; E140-R142 IonicContact OE1-NE 3.97Å; E140-R142 PolarHBondContact OE1-NE 2.81Å; E140-R142 IonicContact OE1-NH2 2.92Å; E140-R142 PolarHBondContact OE1-NH2 3.24Å; E140-R142 WeakPolarHBondContact OE2-CA 3.16Å; E140-R142 WeakPolarHBondContact OE2-CB 2.83Å; E140-R142 PolarHBondContact OE2-N 3.46Å; E140-R142 IonicContact OE2-NE 3.52Å; E140-T143 HydrophobicContact CB-CG2 4.06Å; E140-T143 WeakPolarHBondContact O-CA 3.43Å; E140-T143 WeakPolarHBondContact O-CB 3.41Å; E140-T143 PolarHBondContact O-N 3.1Å; E140-T143 PolarHBondContact O-OG1 2.74Å; E140-Y216 WeakPolarHBondContact CA-O 3.44Å; E140-Y216 HydrophobicContact CB-CD2 4.11Å; E140-Y216 HydrophobicContact CB-CE2 3.44Å; E140-Y216 VanDerWaalsContact CB-CE2 3.44Å; E140-Y216 HydrophobicContact CG-CD2 4.08Å; E140-Y216 HydrophobicContact CG-CE2 3.66Å; E140-D218 HydrophobicContact CG-CB 3.85Å; E140-L221 HydrophobicContact CG-CD1 3.83Å; E140-P407 HydrophobicContact CG-CG 4.45Å
141	Y	98.7	Very high	94.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-57.9	-35.9	-167.2	-174.7	-131.4	0	0	0	115	R139 T143 L144 R149 F152 H153 P215 Y216 M233 F238 M239 L338	R139-Y141 PolarHBondContact O-N 3.4Å; Y141-T143 PolarHBondContact O-N 3.37Å; Y141-L144 HydrophobicContact CD2-CD1 3.94Å; Y141-L144 HydrophobicContact CE2-CD1 4.37Å; Y141-L144 WeakPolarHBondContact O-CB 3.44Å; Y141-L144 PolarHBondContact O-N 3.32Å; Y141-R149 HydrophobicContact CE2-CG 3.92Å; Y141-F152 AromaticContact CE2-CD1 3.84Å; Y141-F152 HydrophobicContact CE2-CD1 3.84Å; Y141-F152 AromaticContact CE2-CE1 3.89Å; Y141-F152 HydrophobicContact CE2-CE1 3.89Å; Y141-H153 AromaticContact CZ-NE2 3.81Å; Y141-H153 PolarHBondContact OH-CD2 3.09Å; Y141-H153 PolarHBondContact OH-NE2 3.07Å; Y141-P215 HydrophobicContact CD2-CB 3.63Å; Y141-P215 HydrophobicContact CD2-CG 3.48Å; Y141-P215 VanDerWaalsContact CD2-CG 3.48Å; Y141-P215 HydrophobicContact CE2-CG 4Å; Y141-P215 HydrophobicContact CG-CB 4.23Å; Y141-P215 HydrophobicContact CG-CG 4.38Å; Y141-Y216 PolarHBondContact N-O 2.82Å; Y141-M233 HydrophobicContact CD1-CE 3.75Å; Y141-M233 HydrophobicContact CD1-SD 3.84Å; Y141-M233 HydrophobicContact CE1-CE 4.27Å; Y141-F238 AromaticContact CD1-CD1 3.53Å; Y141-F238 HydrophobicContact CD1-CD1 3.53Å; Y141-F238 AromaticContact CD1-CE1 3.94Å; Y141-F238 HydrophobicContact CD1-CE1 3.94Å; Y141-F238 HydrophobicContact CE1-CB 4.24Å; Y141-F238 AromaticContact CE1-CD1 3.39Å; Y141-F238 HydrophobicContact CE1-CD1 3.39Å; Y141-F238 HydrophobicContact CE1-CE1 4.12Å; Y141-F238 HydrophobicContact CE1-CG 4.21Å; Y141-M239 HydrophobicContact CD1-CE 4.11Å; Y141-M239 HydrophobicContact CE1-CE 3.48Å; Y141-M239 VanDerWaalsContact CE1-CE 3.48Å; Y141-M239 HydrophobicContact CE1-CG 4.44Å; Y141-M239 HydrophobicContact CE1-SD 4.23Å; Y141-L338 HydrophobicContact CD1-CD2 3.58Å; Y141-L338 HydrophobicContact CD2-CD2 3.89Å; Y141-L338 HydrophobicContact CE1-CD2 4.02Å; Y141-L338 HydrophobicContact CE2-CD2 4.31Å; Y141-L338 HydrophobicContact CG-CD2 3.46Å; Y141-L338 VanDerWaalsContact CG-CD2 3.46Å
142	R	98.4	Very high	95.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-76.1	-9.6	176.5	-68.1	160.8	-72.7	-160.4	-8.5	112.4	E140 D218 D222 I232 M233 F238 S418 Y420 L421 S432	E140-R142 VanDerWaalsContact C-N 3.29Å; E140-R142 PolarHBondContact O-N 3.18Å; E140-R142 IonicContact OE1-CZ 3.98Å; E140-R142 VanDerWaalsContact OE1-CZ 3.25Å; E140-R142 IonicContact OE1-NE 3.97Å; E140-R142 PolarHBondContact OE1-NE 2.81Å; E140-R142 IonicContact OE1-NH2 2.92Å; E140-R142 PolarHBondContact OE1-NH2 3.24Å; E140-R142 WeakPolarHBondContact OE2-CA 3.16Å; E140-R142 WeakPolarHBondContact OE2-CB 2.83Å; E140-R142 PolarHBondContact OE2-N 3.46Å; E140-R142 IonicContact OE2-NE 3.52Å; R142-D218 PolarHBondContact NH2-O 3.35Å; R142-D222 IonicContact CZ-OD1 2.71Å; R142-D222 IonicContact CZ-OD2 3.91Å; R142-D222 VanDerWaalsContact CZ-OD2 3.26Å; R142-D222 IonicContact NH1-OD1 3.16Å; R142-D222 PolarHBondContact NH1-OD1 3.42Å; R142-D222 IonicContact NH1-OD2 3.21Å; R142-D222 PolarHBondContact NH1-OD2 3.37Å; R142-D222 IonicContact NH2-OD2 2.77Å; R142-D222 PolarHBondContact NH2-OD2 2.99Å; R142-I232 HydrophobicContact CG-CG2 4.26Å; R142-M233 HydrophobicContact CG-SD 3.87Å; R142-F238 HydrophobicContact CB-CE1 4.16Å; R142-F238 HydrophobicContact CB-CZ 4.47Å; R142-F238 HydrophobicContact CG-CD1 4.18Å; R142-F238 HydrophobicContact CG-CE1 3.39Å; R142-F238 HydrophobicContact CG-CZ 3.92Å; R142-S418 VanDerWaalsContact O-CB 3.32Å; R142-S418 WeakPolarHBondContact O-CB 3.44Å; R142-S418 PolarHBondContact O-OG 3Å; R142-Y420 WeakPolarHBondContact O-CD2 3.33Å; R142-L421 HydrophobicContact CB-CD1 4.45Å; R142-L421 HydrophobicContact CB-CD2 4.13Å; R142-L421 HydrophobicContact CB-CG 4.11Å; R142-S432 PolarHBondContact NH1-OG 3.42Å
143	T	98.4	Very high	96.3	Very high	29 Å²	29	43 Å²	43	18%	0.178	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-92	-6.5	172.7	70.5	0	0	0	0	113.9	E140 Y141 P407 L421	E140-T143 HydrophobicContact CB-CG2 4.06Å; E140-T143 WeakPolarHBondContact O-CA 3.43Å; E140-T143 WeakPolarHBondContact O-CB 3.41Å; E140-T143 PolarHBondContact O-N 3.1Å; E140-T143 PolarHBondContact O-OG1 2.74Å; Y141-T143 PolarHBondContact O-N 3.37Å; T143-P407 HydrophobicContact CG2-CB 4.11Å; T143-P407 HydrophobicContact CG2-CG 4.03Å; T143-L421 HydrophobicContact CG2-CD1 4.1Å
144	L	98.3	Very high	97.1	Very high	12 Å²	12	40 Å²	40	6%	0.063	22%	0.217	C	C	.	.	S	Bend	trans	-66	140.7	169.9	-61.5	-172.9	0	0	0	110.5	R139 Y141 E148 R149 P215	R139-L144 HydrophobicContact CB-CD2 4.11Å; Y141-L144 HydrophobicContact CD2-CD1 3.94Å; Y141-L144 HydrophobicContact CE2-CD1 4.37Å; Y141-L144 WeakPolarHBondContact O-CB 3.44Å; Y141-L144 PolarHBondContact O-N 3.32Å; L144-E148 HydrophobicContact CB-CB 4.19Å; L144-R149 HydrophobicContact CB-CB 4.38Å; L144-R149 PolarHBondContact O-NH2 2.94Å; L144-P215 HydrophobicContact CD1-CB 4Å; L144-P215 HydrophobicContact CD1-CG 4.19Å
145	S	97.4	Very high	97.5	Very high	53 Å²	53	37 Å²	37	37%	0.371	20%	0.198	S	C	.	.			trans	-64.7	160.5	167.5	78.8	0	0	0	0	110.7	D147 E148 R149	S145-D147 PolarHBondContact O-N 2.81Å; S145-E148 PolarHBondContact N-OE2 3.48Å; S145-E148 PolarHBondContact O-N 2.67Å; S145-E148 VanDerWaalsContact O-N 3.14Å; S145-E148 VanDerWaalsContact OG-CG 3.26Å; S145-E148 WeakPolarHBondContact OG-CG 3.32Å; S145-E148 PolarHBondContact OG-N 3.2Å; S145-E148 PolarHBondContact OG-OE2 2.03Å; S145-R149 WeakPolarHBondContact O-CB 3.18Å; S145-R149 PolarHBondContact O-N 2.9Å
146	D	96.5	Very high	97.8	Very high	92 Å²	92	35.4 Å²	35.4	49%	0.492	19%	0.188	S	C	.	.	H	α-helix	trans	-61.1	-36.1	-178.8	-60	-17.2	0	0	0	112	R149 T150 Y420	D146-R149 IonicContact OD1-NH1 3.39Å; D146-R149 IonicContact OD1-NH2 2.83Å; D146-T150 VanDerWaalsContact O-CB 3.3Å; D146-T150 WeakPolarHBondContact O-CB 3.43Å; D146-T150 PolarHBondContact O-N 2.9Å; D146-T150 PolarHBondContact O-OG1 2.94Å; D146-Y420 PolarHBondContact OD1-OH 3.19Å
147	D	97.6	Very high	97.9	Very high	98 Å²	98	37.8 Å²	37.8	52%	0.524	20%	0.2	S	C	.	.	H	α-helix	trans	-67	-43.9	174.9	166.2	54.9	0	0	0	111.7	S145 T150 R151	S145-D147 PolarHBondContact O-N 2.81Å; D147-T150 PolarHBondContact O-N 3.4Å; D147-R151 WeakPolarHBondContact O-CG 3.22Å; D147-R151 PolarHBondContact O-N 3.32Å; D147-R151 IonicContact OD1-CZ 3.5Å; D147-R151 IonicContact OD1-NH1 2.83Å; D147-R151 PolarHBondContact OD1-NH1 2.97Å; D147-R151 IonicContact OD2-CZ 2.73Å; D147-R151 IonicContact OD2-NH1 3.89Å; D147-R151 PolarHBondContact OD2-NH1 3.46Å; D147-R151 IonicContact OD2-NH2 3.62Å
148	E	97.7	Very high	97.9	Very high	53 Å²	53	37.3 Å²	37.3	25%	0.248	20%	0.196	C	C	.	.	H	α-helix	trans	-63.6	-43.2	175.6	-69.8	171.4	143.4	0	0	112.3	R139 L144 S145 R151 F152	R139-E148 IonicContact CZ-OE1 3.52Å; R139-E148 IonicContact CZ-OE2 3.54Å; R139-E148 VanDerWaalsContact CZ-OE2 3.3Å; R139-E148 IonicContact NH1-OE1 3.55Å; R139-E148 PolarHBondContact NH1-OE1 3.23Å; R139-E148 IonicContact NH1-OE2 2.73Å; R139-E148 PolarHBondContact NH1-OE2 3.05Å; R139-E148 IonicContact NH2-OE1 3.49Å; R139-E148 PolarHBondContact NH2-OE1 3.14Å; R139-E148 IonicContact NH2-OE2 2.77Å; R139-E148 PolarHBondContact NH2-OE2 3.47Å; L144-E148 HydrophobicContact CB-CB 4.19Å; S145-E148 PolarHBondContact N-OE2 3.48Å; S145-E148 PolarHBondContact O-N 2.67Å; S145-E148 VanDerWaalsContact O-N 3.14Å; S145-E148 VanDerWaalsContact OG-CG 3.26Å; S145-E148 WeakPolarHBondContact OG-CG 3.32Å; S145-E148 PolarHBondContact OG-N 3.2Å; S145-E148 PolarHBondContact OG-OE2 2.03Å; E148-R151 PolarHBondContact O-N 3.09Å; E148-F152 PolarHBondContact O-N 3.32Å
149	R	98.2	Very high	97.8	Very high	8 Å²	8	37.4 Å²	37.4	3%	0.03	20%	0.196	C	C	.	.	H	α-helix	trans	-65	-43.2	177.5	-165.2	-173.1	-49.5	134.9	21.2	111.4	Y141 L144 S145 D146 R151 F152 H153 Y420	Y141-R149 HydrophobicContact CE2-CG 3.92Å; L144-R149 HydrophobicContact CB-CB 4.38Å; L144-R149 PolarHBondContact O-NH2 2.94Å; S145-R149 WeakPolarHBondContact O-CB 3.18Å; S145-R149 PolarHBondContact O-N 2.9Å; D146-R149 IonicContact OD1-NH1 3.39Å; D146-R149 IonicContact OD1-NH2 2.83Å; R149-R151 PolarHBondContact O-N 3.2Å; R149-F152 WeakPolarHBondContact O-CB 3.14Å; R149-F152 PolarHBondContact O-N 3.11Å; R149-H153 VanDerWaalsContact O-CG 3.29Å; R149-H153 PolarHBondContact O-N 3.37Å; R149-Y420 PolarHBondContact NH1-OH 3.14Å
150	T	98.3	Very high	97.7	Very high	79 Å²	79	36.7 Å²	36.7	49%	0.485	20%	0.195	S	C	.	.	H	α-helix	trans	-59.9	-45.8	176.7	-60.6	0	0	0	0	111.1	D146 D147 F152 H153 V154	D146-T150 VanDerWaalsContact O-CB 3.3Å; D146-T150 WeakPolarHBondContact O-CB 3.43Å; D146-T150 PolarHBondContact O-N 2.9Å; D146-T150 PolarHBondContact O-OG1 2.94Å; D147-T150 PolarHBondContact O-N 3.4Å; T150-F152 VanDerWaalsContact C-N 3.32Å; T150-F152 PolarHBondContact O-N 3.08Å; T150-H153 PolarHBondContact O-N 3.07Å; T150-V154 HydrophobicContact CG2-CG2 4.41Å; T150-V154 WeakPolarHBondContact O-CG2 3.2Å; T150-V154 PolarHBondContact O-N 2.94Å
151	R	97.8	Very high	97.5	Very high	74 Å²	74	40 Å²	40	28%	0.279	22%	0.218	S	C	.	.	H	α-helix	trans	-62.4	-39.6	176.8	-69.3	-164.7	-51	-94.9	-9.2	112.5	D147 E148 R149 V154 A155 D209 S211	D147-R151 WeakPolarHBondContact O-CG 3.22Å; D147-R151 PolarHBondContact O-N 3.32Å; D147-R151 IonicContact OD1-CZ 3.5Å; D147-R151 IonicContact OD1-NH1 2.83Å; D147-R151 PolarHBondContact OD1-NH1 2.97Å; D147-R151 IonicContact OD2-CZ 2.73Å; D147-R151 IonicContact OD2-NH1 3.89Å; D147-R151 PolarHBondContact OD2-NH1 3.46Å; D147-R151 IonicContact OD2-NH2 3.62Å; E148-R151 PolarHBondContact O-N 3.09Å; R149-R151 PolarHBondContact O-N 3.2Å; R151-V154 PolarHBondContact O-N 2.71Å; R151-A155 WeakPolarHBondContact O-CB 3.47Å; R151-A155 PolarHBondContact O-N 3.11Å; R151-D209 WeakPolarHBondContact CD-OD2 3.38Å; R151-D209 IonicContact NE-OD2 3.55Å; R151-D209 PolarHBondContact NE-OD2 2.99Å; R151-D209 VanDerWaalsContact NE-OD2 3.16Å; R151-S211 PolarHBondContact NE-OG 3.14Å
152	F	98.3	Very high	96.9	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.018	23%	0.23	C	C	.	.	H	α-helix	trans	-61.2	-46.7	174.1	176.5	-109.4	0	0	0	112.3	Y141 E148 R149 T150 A155 I156 L205 I212 L214 P215 L338	Y141-F152 AromaticContact CE2-CD1 3.84Å; Y141-F152 HydrophobicContact CE2-CD1 3.84Å; Y141-F152 AromaticContact CE2-CE1 3.89Å; Y141-F152 HydrophobicContact CE2-CE1 3.89Å; E148-F152 PolarHBondContact O-N 3.32Å; R149-F152 WeakPolarHBondContact O-CB 3.14Å; R149-F152 PolarHBondContact O-N 3.11Å; T150-F152 VanDerWaalsContact C-N 3.32Å; T150-F152 PolarHBondContact O-N 3.08Å; F152-A155 PolarHBondContact O-N 2.77Å; F152-I156 HydrophobicContact CD1-CD1 4.25Å; F152-I156 HydrophobicContact CD2-CD1 4.23Å; F152-I156 HydrophobicContact CE1-CD1 3.58Å; F152-I156 HydrophobicContact CE2-CD1 3.53Å; F152-I156 HydrophobicContact CE2-CG1 4.14Å; F152-I156 HydrophobicContact CZ-CD1 3.19Å; F152-I156 HydrophobicContact CZ-CG1 4.25Å; F152-I156 PolarHBondContact O-N 3.01Å; F152-L205 HydrophobicContact CD2-CD1 4.38Å; F152-L205 HydrophobicContact CE2-CD1 3.94Å; F152-I212 HydrophobicContact CD2-CG2 4.08Å; F152-L214 HydrophobicContact CE2-CD2 3.97Å; F152-P215 HydrophobicContact CD1-CG 4.14Å; F152-P215 HydrophobicContact CD2-CG 4.45Å; F152-P215 HydrophobicContact CE1-CG 3.72Å; F152-P215 VanDerWaalsContact CE2-CD 3.43Å; F152-P215 HydrophobicContact CE2-CG 4.07Å; F152-P215 HydrophobicContact CG-CG 4.46Å; F152-P215 VanDerWaalsContact CZ-CD 3.48Å; F152-P215 HydrophobicContact CZ-CG 3.65Å; F152-L338 HydrophobicContact CE1-CD1 4.06Å; F152-L338 HydrophobicContact CZ-CD1 3.93Å
153	H	98.3	Very high	96	Very high	21 Å²	21	45.2 Å²	45.2	10%	0.097	26%	0.258	C	S	.	.	H	α-helix	trans	-60.7	-45.3	176	-63.5	165.4	0	0	0	112.7	Y141 R149 T150 I156 N157 P250 F251	Y141-H153 AromaticContact CZ-NE2 3.81Å; Y141-H153 PolarHBondContact OH-CD2 3.09Å; Y141-H153 PolarHBondContact OH-NE2 3.07Å; R149-H153 VanDerWaalsContact O-CG 3.29Å; R149-H153 PolarHBondContact O-N 3.37Å; T150-H153 PolarHBondContact O-N 3.07Å; H153-I156 PolarHBondContact O-N 3.24Å; H153-N157 WeakPolarHBondContact O-CB 3.33Å; H153-N157 PolarHBondContact O-N 2.95Å; H153-N157 PolarHBondContact O-ND2 2.74Å; H153-P250 HydrophobicContact CB-CB 3.87Å; H153-F251 AromaticContact CD2-CZ 3.92Å
154	V	97.6	Very high	95.1	Very high	85 Å²	85	47.7 Å²	47.7	52%	0.515	29%	0.29	S	S	.	.	H	α-helix	trans	-61.5	-45.4	178.8	169	0	0	0	0	110.6	T150 R151 N157 Q158	T150-V154 HydrophobicContact CG2-CG2 4.41Å; T150-V154 WeakPolarHBondContact O-CG2 3.2Å; T150-V154 PolarHBondContact O-N 2.94Å; R151-V154 PolarHBondContact O-N 2.71Å; V154-N157 PolarHBondContact O-N 3.19Å; V154-Q158 WeakPolarHBondContact O-CB 3.44Å; V154-Q158 PolarHBondContact O-N 3.12Å
155	A	96.5	Very high	94.4	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-65.1	-41.5	179.3	0	0	0	0	0	112.6	R151 F152 Q158 L159 L205 I208 I212	R151-A155 WeakPolarHBondContact O-CB 3.47Å; R151-A155 PolarHBondContact O-N 3.11Å; F152-A155 PolarHBondContact O-N 2.77Å; A155-Q158 PolarHBondContact O-N 3.03Å; A155-L159 WeakPolarHBondContact O-CB 3.3Å; A155-L159 PolarHBondContact O-N 3.28Å; A155-L205 HydrophobicContact CB-CD2 4.07Å; A155-I208 HydrophobicContact CB-CB 4.25Å; A155-I208 HydrophobicContact CB-CD1 4.37Å; A155-I208 HydrophobicContact CB-CG2 4.01Å; A155-I208 VanDerWaalsContact O-CD1 3.31Å; A155-I208 WeakPolarHBondContact O-CD1 3.38Å; A155-I212 HydrophobicContact CB-CD1 3.21Å
156	I	97.9	Very high	93.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.1	-44.9	175.1	-74.6	-175.1	0	0	0	111.2	F152 H153 Q158 L159 K160 Y169 L205 F251 W254 P334	F152-I156 HydrophobicContact CD1-CD1 4.25Å; F152-I156 HydrophobicContact CD2-CD1 4.23Å; F152-I156 HydrophobicContact CE1-CD1 3.58Å; F152-I156 HydrophobicContact CE2-CD1 3.53Å; F152-I156 HydrophobicContact CE2-CG1 4.14Å; F152-I156 HydrophobicContact CZ-CD1 3.19Å; F152-I156 HydrophobicContact CZ-CG1 4.25Å; F152-I156 PolarHBondContact O-N 3.01Å; H153-I156 PolarHBondContact O-N 3.24Å; I156-Q158 VanDerWaalsContact C-N 3.32Å; I156-Q158 PolarHBondContact O-N 2.03Å; I156-L159 WeakPolarHBondContact O-CB 3.11Å; I156-L159 PolarHBondContact O-N 3.13Å; I156-K160 WeakPolarHBondContact O-CB 3.5Å; I156-K160 PolarHBondContact O-N 2.92Å; I156-Y169 HydrophobicContact CG2-CD2 4.49Å; I156-Y169 HydrophobicContact CG2-CE2 4.22Å; I156-L205 HydrophobicContact CG1-CD1 4.15Å; I156-L205 HydrophobicContact CG1-CD2 3.78Å; I156-F251 HydrophobicContact CB-CE1 4.08Å; I156-F251 HydrophobicContact CD1-CZ 4.43Å; I156-F251 HydrophobicContact CG2-CD1 4.24Å; I156-F251 HydrophobicContact CG2-CE1 3.56Å; I156-F251 HydrophobicContact CG2-CZ 4.26Å; I156-W254 HydrophobicContact CG2-CH2 3.42Å; I156-W254 VanDerWaalsContact CG2-CH2 3.42Å; I156-W254 HydrophobicContact CG2-CZ2 3.72Å; I156-P334 HydrophobicContact CG2-CG 4.41Å
157	N	97.9	Very high	93.5	Very high	53 Å²	53	44.4 Å²	44.4	28%	0.283	27%	0.27	S	S	.	.	H	α-helix	trans	-65.3	-35.5	177.9	-82	-45.8	0	0	0	112.6	H153 V154 K160 S161 P250 W254	H153-N157 WeakPolarHBondContact O-CB 3.33Å; H153-N157 PolarHBondContact O-N 2.95Å; H153-N157 PolarHBondContact O-ND2 2.74Å; V154-N157 PolarHBondContact O-N 3.19Å; N157-K160 PolarHBondContact O-N 3.34Å; N157-S161 PolarHBondContact O-N 3Å; N157-P250 PolarHBondContact ND2-O 3.41Å; N157-P250 PolarHBondContact OD1-O 3.01Å; N157-W254 WeakPolarHBondContact OD1-CZ2 3.07Å; N157-W254 PolarHBondContact OD1-NE1 3.24Å
158	Q	96.4	Very high	93.4	Very high	74 Å²	74	40.8 Å²	40.8	35%	0.346	25%	0.252	S	S	.	.	H	α-helix	trans	-67.9	-35.8	173	-179.3	176	-27.6	0	0	111.8	V154 A155 I156 S161 I208	V154-Q158 WeakPolarHBondContact O-CB 3.44Å; V154-Q158 PolarHBondContact O-N 3.12Å; A155-Q158 PolarHBondContact O-N 3.03Å; I156-Q158 VanDerWaalsContact C-N 3.32Å; I156-Q158 PolarHBondContact O-N 2.03Å; Q158-S161 PolarHBondContact O-OG 3.18Å; Q158-I208 HydrophobicContact CB-CD1 4.16Å; Q158-I208 HydrophobicContact CG-CD1 4.11Å; Q158-I208 HydrophobicContact CG-CG2 4.5Å
159	L	95.9	Very high	93.3	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-67.6	-39.4	173.3	-164.1	64.7	0	0	0	111.8	A155 I156 G162 Q165 I167 Y169 F172 F201 A204 L205 I208	A155-L159 WeakPolarHBondContact O-CB 3.3Å; A155-L159 PolarHBondContact O-N 3.28Å; I156-L159 WeakPolarHBondContact O-CB 3.11Å; I156-L159 PolarHBondContact O-N 3.13Å; L159-G162 PolarHBondContact O-N 2.69Å; L159-Q165 HydrophobicContact CD1-CB 4.02Å; L159-Q165 HydrophobicContact CD1-CG 4.07Å; L159-I167 WeakPolarHBondContact CD1-O 3.12Å; L159-Y169 HydrophobicContact CD2-CD2 4.44Å; L159-Y169 PolarHBondContact O-N 2.86Å; L159-F172 HydrophobicContact CD2-CE2 4.33Å; L159-F201 HydrophobicContact CD2-CD2 4.02Å; L159-F201 HydrophobicContact CD2-CE2 3.46Å; L159-F201 VanDerWaalsContact CD2-CE2 3.46Å; L159-F201 HydrophobicContact CD2-CZ 4.03Å; L159-A204 HydrophobicContact CD1-CB 4.22Å; L159-A204 HydrophobicContact CD2-CB 4.37Å; L159-L205 HydrophobicContact CB-CD2 4.34Å; L159-L205 HydrophobicContact CD2-CD2 3.87Å; L159-L205 HydrophobicContact CD2-CG 4.44Å; L159-I208 HydrophobicContact CB-CD1 4.18Å; L159-I208 HydrophobicContact CD1-CD1 4.42Å
160	K	97.2	Very high	93.2	Very high	32 Å²	32	40.3 Å²	40.3	14%	0.139	25%	0.252	C	S	.	.	H	α-helix	trans	-68.5	-32.5	177.3	-179.1	58.8	173.8	167.9	0	113.4	I156 N157 G162 Y169 D170 W254 M255	I156-K160 WeakPolarHBondContact O-CB 3.5Å; I156-K160 PolarHBondContact O-N 2.92Å; N157-K160 PolarHBondContact O-N 3.34Å; K160-G162 PolarHBondContact O-N 2.91Å; K160-Y169 HydrophobicContact CB-CG 4.38Å; K160-Y169 HydrophobicContact CD-CD1 4.05Å; K160-Y169 HydrophobicContact CD-CG 4.16Å; K160-D170 IonicContact NZ-OD1 3.47Å; K160-D170 PolarHBondContact NZ-OD1 2.95Å; K160-D170 IonicContact NZ-OD2 3.29Å; K160-D170 PolarHBondContact NZ-OD2 3.31Å; K160-W254 HydrophobicContact CB-CH2 3.79Å; K160-W254 HydrophobicContact CB-CZ2 3.58Å; K160-W254 HydrophobicContact CB-CZ3 4.49Å; K160-W254 HydrophobicContact CD-CD2 4.49Å; K160-W254 HydrophobicContact CD-CE3 4.31Å; K160-W254 HydrophobicContact CD-CH2 4.37Å; K160-W254 HydrophobicContact CD-CZ3 4.24Å; K160-W254 HydrophobicContact CG-CD2 4Å; K160-W254 HydrophobicContact CG-CE3 4.24Å; K160-W254 HydrophobicContact CG-CH2 3.92Å; K160-W254 HydrophobicContact CG-CZ2 3.7Å; K160-W254 HydrophobicContact CG-CZ3 4.19Å; K160-M255 WeakPolarHBondContact CE-O 3.17Å; K160-M255 PolarHBondContact NZ-O 3.31Å
161	S	95.2	Very high	93.1	Very high	72 Å²	72	37 Å²	37	50%	0.503	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-13.6	174.1	77.3	0	0	0	0	113.4	N157 Q158 S163	N157-S161 PolarHBondContact O-N 3Å; Q158-S161 PolarHBondContact O-OG 3.18Å; S161-S163 PolarHBondContact O-N 3.39Å; S161-S163 PolarHBondContact O-OG 3.21Å; S161-S163 PolarHBondContact OG-N 3.2Å
162	G	86.2	Confident	93	Very high	23 Å²	23	33.5 Å²	33.5	24%	0.237	22%	0.218	C	C	.	.			trans	67	-11	-177.7	0	0	0	0	0	115	L159 K160 G164 Q165	L159-G162 PolarHBondContact O-N 2.69Å; K160-G162 PolarHBondContact O-N 2.91Å; G162-G164 PolarHBondContact O-N 3.36Å; G162-G164 VanDerWaalsContact O-N 3.15Å; G162-Q165 PolarHBondContact O-N 2.76Å
163	S	78.6	Confident	92.9	Very high	86 Å²	86	33.3 Å²	33.3	60%	0.601	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	115.6	-168.7	-68.5	0	0	0	0	111.8	S161 Q165	S161-S163 PolarHBondContact O-N 3.39Å; S161-S163 PolarHBondContact O-OG 3.21Å; S161-S163 PolarHBondContact OG-N 3.2Å; S163-Q165 PolarHBondContact O-N 2.93Å; S163-Q165 PolarHBondContact O-NE2 2.74Å; S163-Q165 VanDerWaalsContact O-NE2 3.09Å
164	G	78.6	Confident	92.8	Very high	81 Å²	81	34.9 Å²	34.9	84%	0.835	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.9	16.4	178.3	0	0	0	0	0	114.4	G162	G162-G164 PolarHBondContact O-N 3.36Å; G162-G164 VanDerWaalsContact O-N 3.15Å
165	Q	84.2	Confident	92.6	Very high	26 Å²	26	30.9 Å²	30.9	12%	0.121	20%	0.2	C	C	.	.			trans	-97.1	139.3	178	-59.3	-42.3	-57.7	0	0	111	L159 G162 S163 I167 I208	L159-Q165 HydrophobicContact CD1-CB 4.02Å; L159-Q165 HydrophobicContact CD1-CG 4.07Å; G162-Q165 PolarHBondContact O-N 2.76Å; S163-Q165 PolarHBondContact O-N 2.93Å; S163-Q165 PolarHBondContact O-NE2 2.74Å; S163-Q165 VanDerWaalsContact O-NE2 3.09Å; Q165-I167 VanDerWaalsContact C-N 3.29Å; Q165-I167 PolarHBondContact O-N 2.56Å; Q165-I208 HydrophobicContact CG-CD1 4.32Å
166	P	83.3	Confident	92.5	Very high	60 Å²	60	30.8 Å²	30.8	39%	0.39	20%	0.2	S	C	.	.	S	Bend	trans	-64.4	-32.9	-179.4	-20.7	31.3	0	0	0	113.7	E100 A103	E100-P166 WeakPolarHBondContact CA-O 3.39Å; A103-P166 HydrophobicContact CB-CB 3.46Å; A103-P166 VanDerWaalsContact CB-CB 3.46Å; A103-P166 WeakPolarHBondContact CB-O 3.49Å
167	I	92.3	Very high	92.1	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	21%	0.206	C	C	.	.	S	Bend	trans	-137.9	110	176.6	-53.8	176.4	0	0	0	107.1	A103 F104 L107 L159 Q165 T171 F172 L200	A103-I167 HydrophobicContact CB-CG1 4.12Å; F104-I167 HydrophobicContact CB-CD1 3.96Å; F104-I167 HydrophobicContact CD2-CD1 4.34Å; L107-I167 HydrophobicContact CD1-CD1 3.89Å; L159-I167 WeakPolarHBondContact CD1-O 3.12Å; Q165-I167 VanDerWaalsContact C-N 3.29Å; Q165-I167 PolarHBondContact O-N 2.56Å; I167-T171 HydrophobicContact CG2-CG2 3.87Å; I167-F172 HydrophobicContact CB-CE2 4.02Å; I167-F172 HydrophobicContact CB-CZ 4.39Å; I167-F172 HydrophobicContact CG2-CD2 4.03Å; I167-F172 HydrophobicContact CG2-CE2 3.57Å; I167-F172 HydrophobicContact CG2-CZ 4.04Å; I167-L200 HydrophobicContact CD1-CD1 4.43Å
168	P	94.2	Very high	91.6	Very high	21 Å²	21	30 Å²	30	14%	0.136	20%	0.196	C	C	.	.			trans	-62.9	158.8	176.5	-25.2	35.6	0	0	0	113.4	E100 D170 T171 F172	E100-P168 VanDerWaalsContact OE1-CD 3.25Å; E100-P168 WeakPolarHBondContact OE1-CD 3.02Å; E100-P168 VanDerWaalsContact OE1-CG 3.29Å; E100-P168 WeakPolarHBondContact OE1-CG 3.06Å; P168-D170 VanDerWaalsContact C-N 3.29Å; P168-D170 PolarHBondContact O-N 3Å; P168-T171 WeakPolarHBondContact O-CB 3.33Å; P168-T171 PolarHBondContact O-N 2.88Å; P168-F172 WeakPolarHBondContact O-CD2 3.25Å
169	Y	97.2	Very high	91.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-56.1	-43.2	177.7	-171.7	-78.5	0	0	0	112.2	I156 L159 K160 T171 F172 V173 F201 W254 P331 W337	I156-Y169 HydrophobicContact CG2-CD2 4.49Å; I156-Y169 HydrophobicContact CG2-CE2 4.22Å; L159-Y169 HydrophobicContact CD2-CD2 4.44Å; L159-Y169 PolarHBondContact O-N 2.86Å; K160-Y169 HydrophobicContact CB-CG 4.38Å; K160-Y169 HydrophobicContact CD-CD1 4.05Å; K160-Y169 HydrophobicContact CD-CG 4.16Å; Y169-T171 VanDerWaalsContact C-N 3.26Å; Y169-T171 PolarHBondContact O-N 2.9Å; Y169-F172 VanDerWaalsContact O-CB 3.3Å; Y169-F172 WeakPolarHBondContact O-CB 3.45Å; Y169-F172 PolarHBondContact O-N 3.41Å; Y169-V173 HydrophobicContact CD1-CG2 3.98Å; Y169-V173 HydrophobicContact CE1-CG2 3.84Å; Y169-V173 PolarHBondContact O-N 3.21Å; Y169-F201 AromaticContact CD2-CE2 3.85Å; Y169-F201 HydrophobicContact CD2-CE2 3.85Å; Y169-F201 HydrophobicContact CD2-CZ 4.04Å; Y169-F201 AromaticContact CE2-CE2 3.95Å; Y169-F201 HydrophobicContact CE2-CE2 3.95Å; Y169-F201 AromaticContact CE2-CZ 3.82Å; Y169-F201 HydrophobicContact CE2-CZ 3.82Å; Y169-W254 HydrophobicContact CD1-CZ3 4.49Å; Y169-W254 HydrophobicContact CD2-CH2 4.2Å; Y169-W254 HydrophobicContact CE1-CZ3 4.02Å; Y169-W254 AromaticContact CE2-CH2 3.9Å; Y169-W254 HydrophobicContact CE2-CH2 3.9Å; Y169-W254 HydrophobicContact CE2-CZ3 4.04Å; Y169-W254 AromaticContact CZ-CZ3 3.77Å; Y169-P331 WeakPolarHBondContact CE1-O 3.2Å; Y169-P331 VanDerWaalsContact CZ-O 3.26Å; Y169-P331 PolarHBondContact OH-O 3.03Å; Y169-W337 AromaticContact CE2-NE1 3.45Å; Y169-W337 AromaticContact CZ-NE1 3.4Å; Y169-W337 PolarHBondContact OH-NE1 3.26Å
170	D	96	Very high	91.2	Very high	52 Å²	52	31 Å²	31	28%	0.278	20%	0.202	S	C	.	.	H	α-helix	trans	-68.6	-28.9	-175	-70.2	-11.4	0	0	0	111.8	K160 P168 F172 V173 E174 T257	K160-D170 IonicContact NZ-OD1 3.47Å; K160-D170 PolarHBondContact NZ-OD1 2.95Å; K160-D170 IonicContact NZ-OD2 3.29Å; K160-D170 PolarHBondContact NZ-OD2 3.31Å; P168-D170 VanDerWaalsContact C-N 3.29Å; P168-D170 PolarHBondContact O-N 3Å; D170-F172 PolarHBondContact O-N 3.09Å; D170-V173 WeakPolarHBondContact O-CA 3.24Å; D170-V173 WeakPolarHBondContact O-CB 3.44Å; D170-V173 PolarHBondContact O-N 3.21Å; D170-E174 WeakPolarHBondContact O-CG 3.23Å; D170-E174 PolarHBondContact O-N 2.87Å; D170-T257 HydrophobicContact CB-CG2 3.84Å
171	T	95.5	Very high	91	Very high	9 Å²	9	29.5 Å²	29.5	6%	0.055	20%	0.195	C	C	.	.	H	α-helix	trans	-59.5	-36.1	170	-49.6	0	0	0	0	111.5	M96 E100 I167 P168 Y169 E174 M175	M96-T171 HydrophobicContact CE-CG2 3.89Å; M96-T171 HydrophobicContact CG-CG2 3.77Å; M96-T171 HydrophobicContact SD-CG2 4.26Å; E100-T171 PolarHBondContact OE2-OG1 3.3Å; I167-T171 HydrophobicContact CG2-CG2 3.87Å; P168-T171 WeakPolarHBondContact O-CB 3.33Å; P168-T171 PolarHBondContact O-N 2.88Å; Y169-T171 VanDerWaalsContact C-N 3.26Å; Y169-T171 PolarHBondContact O-N 2.9Å; T171-E174 PolarHBondContact O-N 3.35Å; T171-M175 WeakPolarHBondContact O-CG 3.3Å; T171-M175 PolarHBondContact O-N 2.95Å
172	F	96.6	Very high	90.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.3	-39.5	173.1	-71.3	-90.8	0	0	0	111.7	L159 I167 P168 Y169 D170 E174 M175 H176 Y197 L200 F201 A204 W337	L159-F172 HydrophobicContact CD2-CE2 4.33Å; I167-F172 HydrophobicContact CB-CE2 4.02Å; I167-F172 HydrophobicContact CB-CZ 4.39Å; I167-F172 HydrophobicContact CG2-CD2 4.03Å; I167-F172 HydrophobicContact CG2-CE2 3.57Å; I167-F172 HydrophobicContact CG2-CZ 4.04Å; P168-F172 WeakPolarHBondContact O-CD2 3.25Å; Y169-F172 VanDerWaalsContact O-CB 3.3Å; Y169-F172 WeakPolarHBondContact O-CB 3.45Å; Y169-F172 PolarHBondContact O-N 3.41Å; D170-F172 PolarHBondContact O-N 3.09Å; F172-E174 VanDerWaalsContact C-N 3.34Å; F172-M175 HydrophobicContact CD1-SD 4.41Å; F172-M175 WeakPolarHBondContact O-CB 3.36Å; F172-M175 PolarHBondContact O-N 2.85Å; F172-H176 PolarHBondContact O-N 3.16Å; F172-Y197 HydrophobicContact CB-CE2 4.09Å; F172-Y197 HydrophobicContact CD1-CD2 4.25Å; F172-Y197 AromaticContact CD1-CE2 3.7Å; F172-Y197 HydrophobicContact CD1-CE2 3.7Å; F172-Y197 HydrophobicContact CG-CE2 4.41Å; F172-Y197 PolarHBondContact O-OH 2.99Å; F172-L200 HydrophobicContact CE1-CB 4.25Å; F172-L200 HydrophobicContact CE1-CD2 3.8Å; F172-L200 HydrophobicContact CE1-CG 3.76Å; F172-L200 HydrophobicContact CZ-CD2 4.4Å; F172-L200 HydrophobicContact CZ-CG 4.16Å; F172-F201 HydrophobicContact CD1-CB 4.17Å; F172-F201 AromaticContact CD1-CD2 3.92Å; F172-F201 HydrophobicContact CD1-CD2 3.92Å; F172-F201 AromaticContact CD2-CD2 3.91Å; F172-F201 HydrophobicContact CD2-CD2 3.91Å; F172-F201 HydrophobicContact CD2-CE2 4.37Å; F172-F201 HydrophobicContact CE1-CB 3.82Å; F172-F201 HydrophobicContact CE1-CD2 4Å; F172-F201 HydrophobicContact CE1-CG 4.43Å; F172-F201 HydrophobicContact CE2-CD2 4Å; F172-F201 AromaticContact CG-CD2 3.87Å; F172-F201 HydrophobicContact CG-CD2 3.87Å; F172-F201 HydrophobicContact CZ-CB 4.32Å; F172-F201 HydrophobicContact CZ-CD2 4.06Å; F172-A204 HydrophobicContact CE2-CB 4.16Å; F172-A204 HydrophobicContact CZ-CB 3.91Å; F172-W337 HydrophobicContact CB-CH2 3.96Å; F172-W337 HydrophobicContact CB-CZ2 3.97Å; F172-W337 AromaticContact CD1-CH2 3.96Å; F172-W337 HydrophobicContact CD1-CH2 3.96Å; F172-W337 HydrophobicContact CG-CH2 4.17Å; F172-W337 HydrophobicContact CG-CZ2 4.41Å
173	V	96.1	Very high	90.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.3	-43.8	175.5	-174.1	0	0	0	0	110.5	Y169 D170 M175 H176 Q177 T257 P331 N332	Y169-V173 HydrophobicContact CD1-CG2 3.98Å; Y169-V173 HydrophobicContact CE1-CG2 3.84Å; Y169-V173 PolarHBondContact O-N 3.21Å; D170-V173 WeakPolarHBondContact O-CA 3.24Å; D170-V173 WeakPolarHBondContact O-CB 3.44Å; D170-V173 PolarHBondContact O-N 3.21Å; V173-M175 VanDerWaalsContact C-N 3.3Å; V173-M175 PolarHBondContact O-N 3.37Å; V173-H176 PolarHBondContact O-N 3.02Å; V173-H176 VanDerWaalsContact O-N 3.14Å; V173-Q177 PolarHBondContact O-NE2 3.48Å; V173-T257 HydrophobicContact CB-CG2 4.01Å; V173-T257 HydrophobicContact CG1-CG2 3.99Å; V173-T257 WeakPolarHBondContact CG1-OG1 3.35Å; V173-T257 HydrophobicContact CG2-CG2 4.36Å; V173-P331 HydrophobicContact CG2-CB 4.19Å; V173-N332 WeakPolarHBondContact CG1-ND2 3.48Å
174	E	94.8	Very high	91.4	Very high	55 Å²	55	21.8 Å²	21.8	26%	0.257	14%	0.138	S	C	.	.	H	α-helix	trans	-63.9	-33.2	176.2	-68.9	-48	125.4	0	0	112	Y95 D170 T171 F172 H176 Q177 R180	Y95-E174 HydrophobicContact CD2-CB 4.1Å; D170-E174 WeakPolarHBondContact O-CG 3.23Å; D170-E174 PolarHBondContact O-N 2.87Å; T171-E174 PolarHBondContact O-N 3.35Å; F172-E174 VanDerWaalsContact C-N 3.34Å; E174-H176 VanDerWaalsContact C-N 3.28Å; E174-H176 PolarHBondContact O-N 3.28Å; E174-Q177 VanDerWaalsContact O-CG 3.28Å; E174-Q177 WeakPolarHBondContact O-CG 3.06Å; E174-R180 VanDerWaalsContact CB-NH1 3.27Å; E174-R180 WeakPolarHBondContact O-CD 3.25Å; E174-R180 PolarHBondContact O-NH1 3.3Å; E174-R180 IonicContact OE2-CZ 3.77Å; E174-R180 IonicContact OE2-NH1 3.17Å; E174-R180 PolarHBondContact OE2-NH1 2.99Å; E174-R180 IonicContact OE2-NH2 2.76Å
175	M	94.6	Very high	91.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.4	-30.7	174	-71.1	165.9	64.6	0	0	112.8	Y95 M96 F104 T171 F172 V173 Q177 S181 Y197 L200 P383 F384	Y95-M175 HydrophobicContact CE2-CG 3.9Å; M96-M175 HydrophobicContact CE-CG 3.58Å; M96-M175 HydrophobicContact CE-SD 3.63Å; F104-M175 HydrophobicContact CD2-CE 4.18Å; F104-M175 HydrophobicContact CD2-SD 4.44Å; F104-M175 HydrophobicContact CE2-CE 3.45Å; F104-M175 VanDerWaalsContact CE2-CE 3.45Å; F104-M175 HydrophobicContact CE2-SD 4.24Å; F104-M175 HydrophobicContact CZ-CE 4.18Å; T171-M175 WeakPolarHBondContact O-CG 3.3Å; T171-M175 PolarHBondContact O-N 2.95Å; F172-M175 HydrophobicContact CD1-SD 4.41Å; F172-M175 WeakPolarHBondContact O-CB 3.36Å; F172-M175 PolarHBondContact O-N 2.85Å; V173-M175 VanDerWaalsContact C-N 3.3Å; V173-M175 PolarHBondContact O-N 3.37Å; M175-Q177 PolarHBondContact O-N 3.1Å; M175-Q177 VanDerWaalsContact O-N 3.16Å; M175-S181 WeakPolarHBondContact O-CB 3.33Å; M175-S181 PolarHBondContact O-OG 3.14Å; M175-Y197 HydrophobicContact CB-CE2 4.42Å; M175-Y197 HydrophobicContact CE-CD2 4.44Å; M175-Y197 HydrophobicContact CE-CE2 4.48Å; M175-L200 HydrophobicContact CE-CD2 3.85Å; M175-L200 HydrophobicContact SD-CD2 4.46Å; M175-P383 HydrophobicContact CB-CG 4.4Å; M175-P383 HydrophobicContact CE-CG 3.76Å; M175-P383 HydrophobicContact CG-CG 4.27Å; M175-F384 HydrophobicContact CE-CE1 3.75Å; M175-F384 HydrophobicContact CE-CZ 4.04Å
176	H	93.2	Very high	91.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	12.5	-172.6	-164.6	-120	0	0	0	114.4	W82 F172 V173 E174 H185 W193 H194 V327 P331 F336	W82-H176 WeakPolarHBondContact CH2-O 3.23Å; W82-H176 VanDerWaalsContact CZ2-O 3.31Å; W82-H176 WeakPolarHBondContact CZ2-O 3.33Å; F172-H176 PolarHBondContact O-N 3.16Å; V173-H176 PolarHBondContact O-N 3.02Å; V173-H176 VanDerWaalsContact O-N 3.14Å; E174-H176 VanDerWaalsContact C-N 3.28Å; E174-H176 PolarHBondContact O-N 3.28Å; H176-H185 AromaticContact CE1-CE1 3.15Å; H176-H185 PolarHBondContact CE1-CE1 3.42Å; H176-H185 AromaticContact CE1-NE2 3.5Å; H176-H185 AromaticContact ND1-CE1 3.98Å; H176-H185 AromaticContact NE2-CE1 3.14Å; H176-H185 PolarHBondContact NE2-CE1 3.02Å; H176-H185 AromaticContact NE2-NE2 3.57Å; H176-W193 AromaticContact CD2-CH2 3.59Å; H176-W193 AromaticContact CD2-CZ3 3.53Å; H176-H194 AromaticContact NE2-CE1 3.96Å; H176-H194 AromaticContact NE2-NE2 3.2Å; H176-H194 PolarHBondContact NE2-NE2 2.89Å; H176-H194 VanDerWaalsContact NE2-NE2 3.2Å; H176-V327 PolarHBondContact ND1-O 2.88Å; H176-P331 HydrophobicContact CB-CG 3.77Å; H176-P331 VanDerWaalsContact ND1-CG 3.3Å; H176-P331 WeakPolarHBondContact ND1-CG 3.48Å; H176-F336 AromaticContact CE1-CE2 3.72Å; H176-F336 AromaticContact CE1-CZ 3.9Å; H176-F336 AromaticContact NE2-CZ 3.77Å
177	Q	90.2	Very high	91.4	Very high	28 Å²	28	14.9 Å²	14.9	13%	0.131	8%	0.079	C	C	.	.	S	Bend	trans	-78.3	150.8	177.9	-54.6	-61	-44.5	0	0	112.1	V173 E174 M175 D179 R180 S181 P328	V173-Q177 PolarHBondContact O-NE2 3.48Å; E174-Q177 VanDerWaalsContact O-CG 3.28Å; E174-Q177 WeakPolarHBondContact O-CG 3.06Å; M175-Q177 PolarHBondContact O-N 3.1Å; M175-Q177 VanDerWaalsContact O-N 3.16Å; Q177-D179 VanDerWaalsContact C-N 3.32Å; Q177-D179 WeakPolarHBondContact CB-OD1 3.43Å; Q177-D179 PolarHBondContact O-N 2.91Å; Q177-R180 HydrophobicContact CB-CB 4.47Å; Q177-R180 HydrophobicContact CB-CG 4.44Å; Q177-R180 PolarHBondContact O-N 2.99Å; Q177-R180 VanDerWaalsContact O-N 3.12Å; Q177-S181 PolarHBondContact O-N 3.31Å; Q177-P328 PolarHBondContact NE2-O 3.23Å
178	A	87	Confident	91.2	Very high	9 Å²	9	14.8 Å²	14.8	7%	0.074	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-39.8	-176.7	0	0	0	0	0	112.8	P81 W82 R180 P182	P81-A178 HydrophobicContact CB-CB 3.83Å; W82-A178 HydrophobicContact CD2-CB 3.63Å; W82-A178 HydrophobicContact CE3-CB 4.05Å; W82-A178 HydrophobicContact CG-CB 4.06Å; W82-A178 HydrophobicContact CH2-CB 4.22Å; W82-A178 HydrophobicContact CZ2-CB 3.82Å; W82-A178 HydrophobicContact CZ3-CB 4.35Å; A178-R180 PolarHBondContact O-N 2.9Å; A178-P182 WeakPolarHBondContact O-CA 3.42Å; A178-P182 WeakPolarHBondContact O-CD 3.28Å
179	D	90.2	Very high	91	Very high	69 Å²	69	13.8 Å²	13.8	37%	0.369	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-14.4	178.9	59.1	-12.5	0	0	0	113.5	V86 P89 E90 Q177	V86-D179 HydrophobicContact CG1-CB 4.4Å; P89-D179 CarbonylContact C-O 3.58Å; P89-D179 WeakPolarHBondContact CA-O 3.35Å; P89-D179 WeakPolarHBondContact CB-O 3.31Å; E90-D179 PolarHBondContact N-O 2.71Å; Q177-D179 VanDerWaalsContact C-N 3.32Å; Q177-D179 WeakPolarHBondContact CB-OD1 3.43Å; Q177-D179 PolarHBondContact O-N 2.91Å
180	R	93.5	Very high	90.7	Very high	27 Å²	27	13.9 Å²	13.9	10%	0.102	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-31.7	178.7	-65.4	164.9	-172	166	0.5	112.7	E90 Y95 E174 Q177 A178 L382	E90-R180 HydrophobicContact CB-CG 3.89Å; E90-R180 IonicContact OE2-CZ 3.48Å; E90-R180 VanDerWaalsContact OE2-CZ 3.23Å; E90-R180 IonicContact OE2-NE 2.81Å; E90-R180 PolarHBondContact OE2-NE 3.14Å; E90-R180 IonicContact OE2-NH2 3.18Å; E90-R180 PolarHBondContact OE2-NH2 3.29Å; Y95-R180 HydrophobicContact CD1-CG 4.06Å; Y95-R180 HydrophobicContact CE1-CB 4.23Å; Y95-R180 VanDerWaalsContact CE1-CD 3.48Å; Y95-R180 HydrophobicContact CE1-CG 3.63Å; E174-R180 VanDerWaalsContact CB-NH1 3.27Å; E174-R180 WeakPolarHBondContact O-CD 3.25Å; E174-R180 PolarHBondContact O-NH1 3.3Å; E174-R180 IonicContact OE2-CZ 3.77Å; E174-R180 IonicContact OE2-NH1 3.17Å; E174-R180 PolarHBondContact OE2-NH1 2.99Å; E174-R180 IonicContact OE2-NH2 2.76Å; Q177-R180 HydrophobicContact CB-CB 4.47Å; Q177-R180 HydrophobicContact CB-CG 4.44Å; Q177-R180 PolarHBondContact O-N 2.99Å; Q177-R180 VanDerWaalsContact O-N 3.12Å; A178-R180 PolarHBondContact O-N 2.9Å; R180-L382 WeakPolarHBondContact O-CB 3.27Å
181	S	93.9	Very high	90.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.06	C	C	.	.			trans	-134.1	55.8	-174.6	-64.9	0	0	0	0	112.5	W82 M175 Q177 G183 A184 W193 L382 P383	W82-S181 WeakPolarHBondContact CZ3-O 3.46Å; M175-S181 WeakPolarHBondContact O-CB 3.33Å; M175-S181 PolarHBondContact O-OG 3.14Å; Q177-S181 PolarHBondContact O-N 3.31Å; S181-G183 PolarHBondContact O-N 3.4Å; S181-A184 VanDerWaalsContact O-CB 3.24Å; S181-A184 WeakPolarHBondContact O-CB 3.24Å; S181-A184 PolarHBondContact O-N 3.08Å; S181-W193 VanDerWaalsContact OG-CZ2 3.23Å; S181-W193 WeakPolarHBondContact OG-CZ2 3.27Å; S181-L382 PolarHBondContact OG-O 3.37Å; S181-P383 WeakPolarHBondContact OG-CD 3.36Å
182	P	89.8	Confident	90.6	Very high	15 Å²	15	11.2 Å²	11.2	10%	0.097	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-57.6	-24.6	-173.9	23.1	-34.6	0	0	0	114	V86 A178 A184 A374 L382	V86-P182 HydrophobicContact CB-CB 4.31Å; V86-P182 HydrophobicContact CG2-CB 4.1Å; A178-P182 WeakPolarHBondContact O-CA 3.42Å; A178-P182 WeakPolarHBondContact O-CD 3.28Å; P182-A184 VanDerWaalsContact C-N 3.28Å; P182-A184 PolarHBondContact O-N 3.21Å; P182-A374 HydrophobicContact CB-CB 4Å; P182-A374 HydrophobicContact CG-CB 4Å; P182-L382 HydrophobicContact CG-CD1 4.38Å
183	G	89	Confident	90.6	Very high	4 Å²	4	11.2 Å²	11.2	4%	0.041	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-75.3	-8.4	175.6	0	0	0	0	0	115.3	S181 H185 A189 H375	S181-G183 PolarHBondContact O-N 3.4Å; G183-H185 PolarHBondContact O-N 2.62Å; G183-A189 CarbonylContact O-C 3.31Å; G183-A189 WeakPolarHBondContact O-CB 2.98Å; G183-H375 PolarHBondContact O-CE1 3.1Å; G183-H375 PolarHBondContact O-ND1 2.84Å
184	A	90.1	Very high	90.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-72.8	-22.2	-172.6	0	0	0	0	0	114.1	W82 S181 P182 F190 W193 H194	W82-A184 HydrophobicContact CH2-CB 3.88Å; W82-A184 HydrophobicContact CZ3-CB 3.8Å; S181-A184 VanDerWaalsContact O-CB 3.24Å; S181-A184 WeakPolarHBondContact O-CB 3.24Å; S181-A184 PolarHBondContact O-N 3.08Å; P182-A184 VanDerWaalsContact C-N 3.28Å; P182-A184 PolarHBondContact O-N 3.21Å; A184-F190 WeakPolarHBondContact O-CD2 3.5Å; A184-W193 HydrophobicContact CB-CD2 3.44Å; A184-W193 VanDerWaalsContact CB-CD2 3.44Å; A184-W193 HydrophobicContact CB-CE3 3.54Å; A184-W193 HydrophobicContact CB-CG 3.98Å; A184-W193 HydrophobicContact CB-CH2 4.18Å; A184-W193 HydrophobicContact CB-CZ2 4.04Å; A184-W193 HydrophobicContact CB-CZ3 3.93Å; A184-H194 PolarHBondContact O-CE1 2.85Å; A184-H194 PolarHBondContact O-ND1 3.45Å
185	H	84.5	Confident	90.8	Very high	11 Å²	11	8.9 Å²	8.9	5%	0.051	5%	0.047	C	C	.	.	S	Bend	trans	-141.2	159.3	179.2	-60	90.8	0	0	0	112.2	W82 H176 G183 V327 H375	W82-H185 HydrophobicContact CD2-CB 4.07Å; W82-H185 AromaticContact CD2-ND1 3.86Å; W82-H185 AromaticContact CE2-ND1 3.66Å; W82-H185 HydrophobicContact CE3-CB 3.79Å; W82-H185 AromaticContact CE3-ND1 3.7Å; W82-H185 AromaticContact CH2-CE1 3.88Å; W82-H185 AromaticContact CH2-ND1 3.2Å; W82-H185 WeakPolarHBondContact CH2-ND1 3.01Å; W82-H185 AromaticContact CZ2-CE1 3.85Å; W82-H185 AromaticContact CZ2-ND1 3.37Å; W82-H185 WeakPolarHBondContact CZ2-ND1 3.48Å; W82-H185 HydrophobicContact CZ3-CB 4.14Å; W82-H185 AromaticContact CZ3-ND1 3.34Å; W82-H185 VanDerWaalsContact CZ3-ND1 3.34Å; W82-H185 WeakPolarHBondContact CZ3-ND1 3.49Å; H176-H185 AromaticContact CE1-CE1 3.15Å; H176-H185 PolarHBondContact CE1-CE1 3.42Å; H176-H185 AromaticContact CE1-NE2 3.5Å; H176-H185 AromaticContact ND1-CE1 3.98Å; H176-H185 AromaticContact NE2-CE1 3.14Å; H176-H185 PolarHBondContact NE2-CE1 3.02Å; H176-H185 AromaticContact NE2-NE2 3.57Å; G183-H185 PolarHBondContact O-N 2.62Å; H185-V327 WeakPolarHBondContact CE1-CG1 3.47Å; H185-V327 WeakPolarHBondContact NE2-CG1 3.46Å; H185-H375 PolarHBondContact O-CE1 3.01Å; H185-H375 PolarHBondContact O-NE2 3.27Å
186	L	77.9	Confident	90.9	Very high	11 Å²	11	9 Å²	9	6%	0.058	5%	0.047	C	C	.	.	S	Bend	trans	68	34.3	169.1	-45	-172.7	0	0	0	114.3	N79 W82 Y83 E301 T302 C371 H375	N79-L186 HydrophobicContact CB-CD1 4.28Å; W82-L186 HydrophobicContact CB-CD1 3.39Å; W82-L186 HydrophobicContact CB-CG 3.98Å; Y83-L186 HydrophobicContact CD1-CD1 3.74Å; Y83-L186 HydrophobicContact CD2-CD1 3.94Å; Y83-L186 HydrophobicContact CE1-CD1 3.72Å; Y83-L186 HydrophobicContact CE2-CD1 3.93Å; Y83-L186 HydrophobicContact CG-CD1 3.85Å; L186-E301 PolarHBondContact N-OE2 3.46Å; L186-T302 HydrophobicContact CD2-CG2 3.25Å; L186-C371 WeakPolarHBondContact O-CB 3.37Å; L186-C371 PolarHBondContact O-SG 3.17Å; L186-H375 PolarHBondContact O-NE2 2.94Å
187	G	82.2	Confident	91.1	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	S	Bend	trans	171.9	-177.6	174.4	0	0	0	0	0	115	A189 F190 E301 C371	G187-A189 PolarHBondContact O-N 3.22Å; G187-F190 WeakPolarHBondContact O-CB 3.14Å; G187-F190 PolarHBondContact O-N 2.92Å; G187-E301 PolarHBondContact N-OE2 2.96Å; G187-E301 VanDerWaalsContact O-OE1 3.09Å; G187-C371 WeakPolarHBondContact CA-SG 3.38Å
188	A	87.9	Confident	91.5	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-17.8	-164.9	0	0	0	0	0	115.7	T293 Y364 P365 T370	A188-T293 HydrophobicContact CB-CG2 3.87Å; A188-Y364 HydrophobicContact CB-CE1 3.81Å; A188-Y364 PolarHBondContact O-OH 2.79Å; A188-P365 HydrophobicContact CB-CG 3.39Å; A188-T370 PolarHBondContact N-O 2.76Å
189	A	91.8	Very high	91.9	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-10.2	176.5	0	0	0	0	0	114.3	G183 G187 L191 P192 W193 Y364 H375 N388	G183-A189 CarbonylContact O-C 3.31Å; G183-A189 WeakPolarHBondContact O-CB 2.98Å; G187-A189 PolarHBondContact O-N 3.22Å; A189-L191 PolarHBondContact O-N 3.21Å; A189-P192 VanDerWaalsContact O-CD 3.23Å; A189-P192 WeakPolarHBondContact O-CD 3.45Å; A189-P192 VanDerWaalsContact O-CG 3.31Å; A189-P192 WeakPolarHBondContact O-CG 3.37Å; A189-W193 WeakPolarHBondContact O-CA 2.86Å; A189-W193 WeakPolarHBondContact O-CB 3.46Å; A189-W193 PolarHBondContact O-N 3.38Å; A189-Y364 WeakPolarHBondContact CA-OH 3.49Å; A189-Y364 PolarHBondContact N-OH 3.48Å; A189-H375 HydrophobicContact CB-CB 4.4Å; A189-H375 PolarHBondContact N-ND1 3.27Å; A189-N388 HydrophobicContact CB-CB 4.23Å; A189-N388 WeakPolarHBondContact CB-OD1 3.41Å
190	F	90.8	Very high	92.1	Very high	1 Å²	1	4 Å²	4	0%	0.004	2%	0.02	C	C	.	.	H	α-helix	trans	-51.5	-52.1	-175.8	167.7	-95.4	0	0	0	113.5	A184 G187 H194 F300 E301 H313 I343	A184-F190 WeakPolarHBondContact O-CD2 3.5Å; G187-F190 WeakPolarHBondContact O-CB 3.14Å; G187-F190 PolarHBondContact O-N 2.92Å; F190-H194 AromaticContact CD2-CE1 3.54Å; F190-H194 AromaticContact CD2-ND1 3.53Å; F190-H194 AromaticContact CE2-CE1 3.38Å; F190-H194 WeakPolarHBondContact CE2-CE1 3.49Å; F190-H194 AromaticContact CE2-ND1 3.54Å; F190-H194 WeakPolarHBondContact O-CB 3.49Å; F190-H194 PolarHBondContact O-N 3.03Å; F190-H194 PolarHBondContact O-ND1 2.59Å; F190-F300 HydrophobicContact CD1-CD1 4.49Å; F190-F300 HydrophobicContact CD1-CE1 4.25Å; F190-F300 HydrophobicContact CE1-CD1 4.38Å; F190-F300 AromaticContact CE1-CE1 3.97Å; F190-F300 HydrophobicContact CE1-CE1 3.97Å; F190-E301 HydrophobicContact CB-CG 4.08Å; F190-E301 WeakPolarHBondContact CB-OE1 3.16Å; F190-E301 VanDerWaalsContact CB-OE2 3.28Å; F190-E301 WeakPolarHBondContact CB-OE2 3.41Å; F190-E301 HydrophobicContact CD1-CB 4.37Å; F190-E301 HydrophobicContact CD1-CG 3.62Å; F190-E301 HydrophobicContact CD2-CB 4.45Å; F190-E301 HydrophobicContact CD2-CG 4.41Å; F190-E301 HydrophobicContact CE1-CG 4.17Å; F190-E301 HydrophobicContact CG-CB 4.31Å; F190-E301 HydrophobicContact CG-CG 3.79Å; F190-H313 AromaticContact CE2-CE1 3.87Å; F190-H313 AromaticContact CZ-CE1 3.66Å; F190-H313 AromaticContact CZ-CG 3.94Å; F190-H313 AromaticContact CZ-ND1 3.72Å; F190-H313 AromaticContact CZ-NE2 3.88Å; F190-I343 HydrophobicContact CE1-CG2 4.4Å
191	L	93.7	Very high	92.2	Very high	5 Å²	5	2.8 Å²	2.8	3%	0.026	2%	0.016	C	C	.	.	H	α-helix	trans	-64.9	-55.3	179.4	-80.5	171.4	0	0	0	113.1	A189 W193 H194 R195 F289 L292 F300 I343 W347	A189-L191 PolarHBondContact O-N 3.21Å; L191-W193 VanDerWaalsContact C-N 3.32Å; L191-W193 PolarHBondContact O-N 2.97Å; L191-H194 PolarHBondContact O-N 3.42Å; L191-R195 WeakPolarHBondContact O-CB 3.39Å; L191-R195 PolarHBondContact O-N 3.43Å; L191-F289 HydrophobicContact CB-CE2 4.19Å; L191-F289 HydrophobicContact CB-CZ 4.41Å; L191-F289 HydrophobicContact CD1-CD2 4.46Å; L191-F289 HydrophobicContact CD1-CE2 3.66Å; L191-F289 HydrophobicContact CD1-CZ 4.47Å; L191-L292 HydrophobicContact CD1-CB 4.27Å; L191-F300 HydrophobicContact CD1-CD1 4.39Å; L191-F300 HydrophobicContact CD1-CE1 3.66Å; L191-F300 HydrophobicContact CD1-CZ 4.14Å; L191-F300 HydrophobicContact CD2-CE1 3.61Å; L191-F300 HydrophobicContact CD2-CZ 3.92Å; L191-F300 HydrophobicContact CG-CE1 3.71Å; L191-F300 HydrophobicContact CG-CZ 4.39Å; L191-I343 HydrophobicContact CD2-CG2 3.87Å; L191-W347 HydrophobicContact CB-CD2 3.93Å; L191-W347 HydrophobicContact CB-CE3 3.82Å; L191-W347 HydrophobicContact CB-CH2 4Å; L191-W347 HydrophobicContact CB-CZ2 4.12Å; L191-W347 HydrophobicContact CB-CZ3 3.85Å; L191-W347 HydrophobicContact CD1-CB 4.35Å; L191-W347 HydrophobicContact CD1-CD2 3.86Å; L191-W347 HydrophobicContact CD1-CG 3.74Å; L191-W347 HydrophobicContact CD2-CB 3.9Å; L191-W347 HydrophobicContact CD2-CD2 3.99Å; L191-W347 HydrophobicContact CD2-CE3 4.03Å; L191-W347 HydrophobicContact CD2-CG 3.96Å; L191-W347 HydrophobicContact CG-CD2 4.13Å; L191-W347 HydrophobicContact CG-CE3 4.34Å; L191-W347 HydrophobicContact CG-CG 4.31Å
192	P	95.8	Very high	92.3	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-63.9	-34.5	178.6	21.7	-31.9	0	0	0	113.1	A189 R195 E196 W347 Y364 M381 M392	A189-P192 VanDerWaalsContact O-CD 3.23Å; A189-P192 WeakPolarHBondContact O-CD 3.45Å; A189-P192 VanDerWaalsContact O-CG 3.31Å; A189-P192 WeakPolarHBondContact O-CG 3.37Å; P192-R195 WeakPolarHBondContact O-CB 3.42Å; P192-R195 PolarHBondContact O-N 2.8Å; P192-E196 PolarHBondContact O-N 3.06Å; P192-E196 VanDerWaalsContact O-N 3.09Å; P192-W347 HydrophobicContact CB-CH2 4.29Å; P192-Y364 HydrophobicContact CG-CE2 4.2Å; P192-M381 HydrophobicContact CB-CE 4.06Å; P192-M392 HydrophobicContact CB-SD 4.37Å; P192-M392 HydrophobicContact CG-SD 4.37Å
193	W	96	Very high	92.4	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-63.5	-51	176.3	-172	101.7	0	0	0	111.2	H176 S181 A184 A189 L191 R195 E196 Y197 M381 L382 F384	H176-W193 AromaticContact CD2-CH2 3.59Å; H176-W193 AromaticContact CD2-CZ3 3.53Å; S181-W193 VanDerWaalsContact OG-CZ2 3.23Å; S181-W193 WeakPolarHBondContact OG-CZ2 3.27Å; A184-W193 HydrophobicContact CB-CD2 3.44Å; A184-W193 VanDerWaalsContact CB-CD2 3.44Å; A184-W193 HydrophobicContact CB-CE3 3.54Å; A184-W193 HydrophobicContact CB-CG 3.98Å; A184-W193 HydrophobicContact CB-CH2 4.18Å; A184-W193 HydrophobicContact CB-CZ2 4.04Å; A184-W193 HydrophobicContact CB-CZ3 3.93Å; A189-W193 WeakPolarHBondContact O-CA 2.86Å; A189-W193 WeakPolarHBondContact O-CB 3.46Å; A189-W193 PolarHBondContact O-N 3.38Å; L191-W193 VanDerWaalsContact C-N 3.32Å; L191-W193 PolarHBondContact O-N 2.97Å; W193-R195 VanDerWaalsContact C-N 3.25Å; W193-R195 PolarHBondContact O-N 2.58Å; W193-E196 PolarHBondContact O-N 3.46Å; W193-Y197 HydrophobicContact CE3-CG 4.39Å; W193-Y197 AromaticContact CH2-CD1 3.81Å; W193-Y197 HydrophobicContact CH2-CD1 3.81Å; W193-Y197 AromaticContact CH2-CD2 3.63Å; W193-Y197 HydrophobicContact CH2-CD2 3.63Å; W193-Y197 HydrophobicContact CH2-CE1 4.15Å; W193-Y197 AromaticContact CH2-CE2 3.98Å; W193-Y197 HydrophobicContact CH2-CE2 3.98Å; W193-Y197 AromaticContact CH2-CG 3.52Å; W193-Y197 HydrophobicContact CH2-CG 3.52Å; W193-Y197 HydrophobicContact CZ2-CD2 4.38Å; W193-Y197 HydrophobicContact CZ2-CG 4.49Å; W193-Y197 AromaticContact CZ3-CD1 3.49Å; W193-Y197 HydrophobicContact CZ3-CD1 3.49Å; W193-Y197 VanDerWaalsContact CZ3-CD1 3.49Å; W193-Y197 HydrophobicContact CZ3-CD2 4.1Å; W193-Y197 HydrophobicContact CZ3-CE1 4.1Å; W193-Y197 AromaticContact CZ3-CG 3.48Å; W193-Y197 HydrophobicContact CZ3-CG 3.48Å; W193-Y197 VanDerWaalsContact CZ3-CG 3.48Å; W193-Y197 WeakPolarHBondContact O-CB 3.46Å; W193-Y197 PolarHBondContact O-N 3.43Å; W193-M381 HydrophobicContact CB-CG 4.35Å; W193-M381 HydrophobicContact CB-SD 4.36Å; W193-M381 HydrophobicContact CG-CG 4.24Å; W193-M381 HydrophobicContact CG-SD 4.49Å; W193-L382 PolarHBondContact NE1-O 3.41Å; W193-F384 HydrophobicContact CD2-CE2 4.28Å; W193-F384 AromaticContact CE2-CE2 3.7Å; W193-F384 HydrophobicContact CG-CE2 4.46Å; W193-F384 AromaticContact CZ2-CE2 3.98Å; W193-F384 HydrophobicContact CZ2-CE2 3.98Å; W193-F384 HydrophobicContact CZ2-CZ 4.31Å; W193-F384 AromaticContact NE1-CE2 3.64Å
194	H	96.7	Very high	92.6	Very high	7 Å²	7	2.5 Å²	2.5	3%	0.032	1%	0.013	C	C	.	.	H	α-helix	trans	-65.3	-30.8	178.4	-77.7	96.4	0	0	0	112.1	H176 A184 F190 L191 Y197 L198 F336 H340	H176-H194 AromaticContact NE2-CE1 3.96Å; H176-H194 AromaticContact NE2-NE2 3.2Å; H176-H194 PolarHBondContact NE2-NE2 2.89Å; H176-H194 VanDerWaalsContact NE2-NE2 3.2Å; A184-H194 PolarHBondContact O-CE1 2.85Å; A184-H194 PolarHBondContact O-ND1 3.45Å; F190-H194 AromaticContact CD2-CE1 3.54Å; F190-H194 AromaticContact CD2-ND1 3.53Å; F190-H194 AromaticContact CE2-CE1 3.38Å; F190-H194 WeakPolarHBondContact CE2-CE1 3.49Å; F190-H194 AromaticContact CE2-ND1 3.54Å; F190-H194 WeakPolarHBondContact O-CB 3.49Å; F190-H194 PolarHBondContact O-N 3.03Å; F190-H194 PolarHBondContact O-ND1 2.59Å; L191-H194 PolarHBondContact O-N 3.42Å; H194-Y197 PolarHBondContact O-N 2.86Å; H194-L198 WeakPolarHBondContact O-CB 3.49Å; H194-L198 WeakPolarHBondContact O-CG 3.18Å; H194-L198 PolarHBondContact O-N 3.36Å; H194-F336 AromaticContact NE2-CZ 3.95Å; H194-H340 AromaticContact CD2-CE1 3.3Å; H194-H340 PolarHBondContact CD2-CE1 2.73Å; H194-H340 AromaticContact CD2-CG 3.88Å; H194-H340 AromaticContact CD2-ND1 3.09Å; H194-H340 PolarHBondContact CD2-ND1 3.01Å; H194-H340 AromaticContact CE1-CE1 3.7Å; H194-H340 AromaticContact CG-CE1 3.88Å; H194-H340 AromaticContact CG-ND1 3.49Å; H194-H340 AromaticContact NE2-CE1 3.16Å; H194-H340 PolarHBondContact NE2-CE1 3.37Å; H194-H340 AromaticContact NE2-ND1 3.52Å
195	R	97.4	Very high	92.8	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-62.5	-47.2	172.9	169.5	168.6	-70.9	-169.3	-3.4	112.7	L191 P192 W193 R199 D344 W347 E348 G391 Y396 Y401	L191-R195 WeakPolarHBondContact O-CB 3.39Å; L191-R195 PolarHBondContact O-N 3.43Å; P192-R195 WeakPolarHBondContact O-CB 3.42Å; P192-R195 PolarHBondContact O-N 2.8Å; W193-R195 VanDerWaalsContact C-N 3.25Å; W193-R195 PolarHBondContact O-N 2.58Å; R195-R199 WeakPolarHBondContact O-CB 2.96Å; R195-R199 PolarHBondContact O-N 2.99Å; R195-D344 IonicContact CZ-OD1 3.02Å; R195-D344 IonicContact NE-OD1 3.81Å; R195-D344 PolarHBondContact NE-OD1 2.97Å; R195-D344 IonicContact NE-OD2 3.55Å; R195-D344 IonicContact NH2-OD1 3.94Å; R195-D344 PolarHBondContact NH2-OD1 3.31Å; R195-D344 IonicContact NH2-OD2 2.59Å; R195-W347 HydrophobicContact CB-CZ3 4.18Å; R195-W347 VanDerWaalsContact CZ-CZ3 3.45Å; R195-E348 IonicContact CZ-OE2 2.71Å; R195-E348 IonicContact NH1-OE2 3.65Å; R195-E348 IonicContact NH2-OE2 2.85Å; R195-E348 PolarHBondContact NH2-OE2 2.87Å; R195-G391 WeakPolarHBondContact CD-O 3.47Å; R195-Y396 HydrophobicContact CG-CD1 3.81Å; R195-Y396 HydrophobicContact CG-CD2 4.01Å; R195-Y396 HydrophobicContact CG-CE1 4.04Å; R195-Y396 HydrophobicContact CG-CE2 4.25Å; R195-Y396 HydrophobicContact CG-CG 3.8Å; R195-Y401 WeakPolarHBondContact CG-OH 2.92Å; R195-Y401 PolarHBondContact NE-OH 2.99Å
196	E	97.1	Very high	93.1	Very high	2 Å²	2	2.3 Å²	2.3	1%	0.009	1%	0.012	C	C	.	.	H	α-helix	trans	-64.9	-42.1	175	178.4	55.4	-159	0	0	111.2	P192 W193 L198 R199 L200 M381 F384 I386 Y396	P192-E196 PolarHBondContact O-N 3.06Å; P192-E196 VanDerWaalsContact O-N 3.09Å; W193-E196 PolarHBondContact O-N 3.46Å; E196-L198 PolarHBondContact O-N 3.17Å; E196-R199 WeakPolarHBondContact O-CB 2.95Å; E196-R199 PolarHBondContact O-N 3.49Å; E196-R199 VanDerWaalsContact O-N 3.14Å; E196-R199 IonicContact OE1-CZ 2.89Å; E196-R199 IonicContact OE1-NH1 2.8Å; E196-R199 PolarHBondContact OE1-NH1 2.74Å; E196-R199 WeakPolarHBondContact OE2-CD 3.47Å; E196-L200 PolarHBondContact O-N 3.4Å; E196-M381 HydrophobicContact CB-SD 3.84Å; E196-M381 HydrophobicContact CG-SD 4.32Å; E196-F384 HydrophobicContact CB-CD2 4.48Å; E196-F384 HydrophobicContact CB-CE2 4.3Å; E196-F384 HydrophobicContact CB-CZ 4.48Å; E196-F384 HydrophobicContact CG-CD1 3.79Å; E196-F384 HydrophobicContact CG-CD2 3.97Å; E196-F384 HydrophobicContact CG-CE1 3.87Å; E196-F384 HydrophobicContact CG-CE2 4.05Å; E196-F384 HydrophobicContact CG-CG 3.84Å; E196-F384 HydrophobicContact CG-CZ 4.01Å; E196-I386 HydrophobicContact CB-CD1 4.31Å; E196-I386 HydrophobicContact CG-CD1 4.01Å; E196-Y396 WeakPolarHBondContact OE2-CE1 2.93Å; E196-Y396 PolarHBondContact OE2-OH 3.1Å
197	Y	97.6	Very high	93.6	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-60	-46.3	178	-174.2	-126.8	0	0	0	112.6	F172 M175 W193 H194 R199 L200 F201 F336 W337 F384	F172-Y197 HydrophobicContact CB-CE2 4.09Å; F172-Y197 HydrophobicContact CD1-CD2 4.25Å; F172-Y197 AromaticContact CD1-CE2 3.7Å; F172-Y197 HydrophobicContact CD1-CE2 3.7Å; F172-Y197 HydrophobicContact CG-CE2 4.41Å; F172-Y197 PolarHBondContact O-OH 2.99Å; M175-Y197 HydrophobicContact CB-CE2 4.42Å; M175-Y197 HydrophobicContact CE-CD2 4.44Å; M175-Y197 HydrophobicContact CE-CE2 4.48Å; W193-Y197 HydrophobicContact CE3-CG 4.39Å; W193-Y197 AromaticContact CH2-CD1 3.81Å; W193-Y197 HydrophobicContact CH2-CD1 3.81Å; W193-Y197 AromaticContact CH2-CD2 3.63Å; W193-Y197 HydrophobicContact CH2-CD2 3.63Å; W193-Y197 HydrophobicContact CH2-CE1 4.15Å; W193-Y197 AromaticContact CH2-CE2 3.98Å; W193-Y197 HydrophobicContact CH2-CE2 3.98Å; W193-Y197 AromaticContact CH2-CG 3.52Å; W193-Y197 HydrophobicContact CH2-CG 3.52Å; W193-Y197 HydrophobicContact CZ2-CD2 4.38Å; W193-Y197 HydrophobicContact CZ2-CG 4.49Å; W193-Y197 AromaticContact CZ3-CD1 3.49Å; W193-Y197 HydrophobicContact CZ3-CD1 3.49Å; W193-Y197 VanDerWaalsContact CZ3-CD1 3.49Å; W193-Y197 HydrophobicContact CZ3-CD2 4.1Å; W193-Y197 HydrophobicContact CZ3-CE1 4.1Å; W193-Y197 AromaticContact CZ3-CG 3.48Å; W193-Y197 HydrophobicContact CZ3-CG 3.48Å; W193-Y197 VanDerWaalsContact CZ3-CG 3.48Å; W193-Y197 WeakPolarHBondContact O-CB 3.46Å; W193-Y197 PolarHBondContact O-N 3.43Å; H194-Y197 PolarHBondContact O-N 2.86Å; Y197-R199 VanDerWaalsContact C-N 3.33Å; Y197-R199 PolarHBondContact O-N 3.44Å; Y197-L200 PolarHBondContact O-N 3.36Å; Y197-F201 WeakPolarHBondContact O-CB 3.22Å; Y197-F201 PolarHBondContact O-N 2.88Å; Y197-F336 HydrophobicContact CD1-CE1 4.15Å; Y197-F336 AromaticContact CE1-CE1 3.61Å; Y197-F336 HydrophobicContact CE1-CE1 3.61Å; Y197-F336 HydrophobicContact CE1-CZ 4.04Å; Y197-W337 HydrophobicContact CD1-CH2 4.03Å; Y197-W337 AromaticContact CD1-CZ3 3.69Å; Y197-W337 HydrophobicContact CD1-CZ3 3.69Å; Y197-W337 HydrophobicContact CE1-CE3 4.49Å; Y197-W337 AromaticContact CE1-CH2 3.35Å; Y197-W337 HydrophobicContact CE1-CH2 3.35Å; Y197-W337 HydrophobicContact CE1-CZ2 4.33Å; Y197-W337 AromaticContact CE1-CZ3 3.43Å; Y197-W337 HydrophobicContact CE1-CZ3 3.43Å; Y197-W337 VanDerWaalsContact CE1-CZ3 3.43Å; Y197-W337 AromaticContact CE2-CH2 3.95Å; Y197-W337 HydrophobicContact CE2-CH2 3.95Å; Y197-W337 HydrophobicContact CE2-CZ3 4.47Å; Y197-W337 HydrophobicContact CG-CZ3 4.31Å; Y197-W337 AromaticContact CZ-CH2 3.3Å; Y197-W337 AromaticContact CZ-CZ3 3.87Å; Y197-W337 WeakPolarHBondContact OH-CH2 3.5Å; Y197-F384 HydrophobicContact CD2-CZ 4.2Å
198	L	97.9	Very high	93.9	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-61	-41.2	173.4	-72.5	170	0	0	0	111.8	H194 E196 F201 E202 L214 W337 H340 T341 D344	H194-L198 WeakPolarHBondContact O-CB 3.49Å; H194-L198 WeakPolarHBondContact O-CG 3.18Å; H194-L198 PolarHBondContact O-N 3.36Å; E196-L198 PolarHBondContact O-N 3.17Å; L198-F201 PolarHBondContact O-N 2.93Å; L198-E202 VanDerWaalsContact O-CB 3.25Å; L198-E202 WeakPolarHBondContact O-CB 3.34Å; L198-E202 PolarHBondContact O-N 3.48Å; L198-L214 HydrophobicContact CB-CD1 4.27Å; L198-L214 HydrophobicContact CD2-CD1 3.91Å; L198-L214 WeakPolarHBondContact O-CD1 3.41Å; L198-W337 HydrophobicContact CD2-CE3 4Å; L198-H340 HydrophobicContact CD1-CB 4.31Å; L198-H340 HydrophobicContact CD2-CB 4.16Å; L198-T341 WeakPolarHBondContact CD2-OG1 3.26Å; L198-D344 HydrophobicContact CD1-CB 3.89Å
199	R	95.7	Very high	94.1	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.008	4%	0.036	C	C	.	.	H	α-helix	trans	-65.5	-40.6	178.6	172	-98.8	161.1	-163.7	-5.4	111.5	L107 C110 C116 R195 E196 Y197 T203 Y396 F400 Y401	L107-R199 PolarHBondContact O-NH1 3.35Å; L107-R199 PolarHBondContact O-NH2 3.07Å; C110-R199 PolarHBondContact O-NH2 3.28Å; C110-R199 VanDerWaalsContact O-NH2 3.13Å; C110-R199 PolarHBondContact SG-NH2 3.17Å; C116-R199 PolarHBondContact SG-NH2 2.95Å; R195-R199 WeakPolarHBondContact O-CB 2.96Å; R195-R199 PolarHBondContact O-N 2.99Å; E196-R199 WeakPolarHBondContact O-CB 2.95Å; E196-R199 PolarHBondContact O-N 3.49Å; E196-R199 VanDerWaalsContact O-N 3.14Å; E196-R199 IonicContact OE1-CZ 2.89Å; E196-R199 IonicContact OE1-NH1 2.8Å; E196-R199 PolarHBondContact OE1-NH1 2.74Å; E196-R199 WeakPolarHBondContact OE2-CD 3.47Å; Y197-R199 VanDerWaalsContact C-N 3.33Å; Y197-R199 PolarHBondContact O-N 3.44Å; R199-T203 WeakPolarHBondContact O-CB 3.45Å; R199-T203 PolarHBondContact O-N 3.13Å; R199-T203 PolarHBondContact O-OG1 3.36Å; R199-Y396 HydrophobicContact CB-CD1 4.02Å; R199-Y396 HydrophobicContact CB-CE1 3.92Å; R199-Y396 HydrophobicContact CG-CD1 4.04Å; R199-Y396 HydrophobicContact CG-CE1 3.98Å; R199-F400 HydrophobicContact CG-CB 4.31Å; R199-F400 HydrophobicContact CG-CD1 4.07Å; R199-F400 HydrophobicContact CG-CD2 4.4Å; R199-F400 HydrophobicContact CG-CG 4Å; R199-Y401 HydrophobicContact CB-CE1 4.38Å
200	L	94.8	Very high	94	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-64.8	-47.6	175.3	-177.1	67.8	0	0	0	111.2	F104 L107 I167 F172 M175 E196 Y197 T203 A204 F384	F104-L200 HydrophobicContact CD2-CD2 3.87Å; F104-L200 HydrophobicContact CE2-CD2 3.82Å; L107-L200 HydrophobicContact CB-CD1 3.36Å; L107-L200 HydrophobicContact CD1-CD1 3.83Å; L107-L200 HydrophobicContact CG-CD1 4.24Å; I167-L200 HydrophobicContact CD1-CD1 4.43Å; F172-L200 HydrophobicContact CE1-CB 4.25Å; F172-L200 HydrophobicContact CE1-CD2 3.8Å; F172-L200 HydrophobicContact CE1-CG 3.76Å; F172-L200 HydrophobicContact CZ-CD2 4.4Å; F172-L200 HydrophobicContact CZ-CG 4.16Å; M175-L200 HydrophobicContact CE-CD2 3.85Å; M175-L200 HydrophobicContact SD-CD2 4.46Å; E196-L200 PolarHBondContact O-N 3.4Å; Y197-L200 PolarHBondContact O-N 3.36Å; L200-T203 WeakPolarHBondContact O-CB 3.47Å; L200-T203 PolarHBondContact O-N 3.37Å; L200-T203 VanDerWaalsContact O-N 3.16Å; L200-A204 PolarHBondContact O-N 3.4Å; L200-F384 HydrophobicContact CD2-CE1 3.9Å
201	F	96.2	Very high	94	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-62.8	-43.9	178.9	-174.2	-102.8	0	0	0	112.4	L159 Y169 F172 Y197 L198 T203 A204 L205 L214 W337	L159-F201 HydrophobicContact CD2-CD2 4.02Å; L159-F201 HydrophobicContact CD2-CE2 3.46Å; L159-F201 VanDerWaalsContact CD2-CE2 3.46Å; L159-F201 HydrophobicContact CD2-CZ 4.03Å; Y169-F201 AromaticContact CD2-CE2 3.85Å; Y169-F201 HydrophobicContact CD2-CE2 3.85Å; Y169-F201 HydrophobicContact CD2-CZ 4.04Å; Y169-F201 AromaticContact CE2-CE2 3.95Å; Y169-F201 HydrophobicContact CE2-CE2 3.95Å; Y169-F201 AromaticContact CE2-CZ 3.82Å; Y169-F201 HydrophobicContact CE2-CZ 3.82Å; F172-F201 HydrophobicContact CD1-CB 4.17Å; F172-F201 AromaticContact CD1-CD2 3.92Å; F172-F201 HydrophobicContact CD1-CD2 3.92Å; F172-F201 AromaticContact CD2-CD2 3.91Å; F172-F201 HydrophobicContact CD2-CD2 3.91Å; F172-F201 HydrophobicContact CD2-CE2 4.37Å; F172-F201 HydrophobicContact CE1-CB 3.82Å; F172-F201 HydrophobicContact CE1-CD2 4Å; F172-F201 HydrophobicContact CE1-CG 4.43Å; F172-F201 HydrophobicContact CE2-CD2 4Å; F172-F201 AromaticContact CG-CD2 3.87Å; F172-F201 HydrophobicContact CG-CD2 3.87Å; F172-F201 HydrophobicContact CZ-CB 4.32Å; F172-F201 HydrophobicContact CZ-CD2 4.06Å; Y197-F201 WeakPolarHBondContact O-CB 3.22Å; Y197-F201 PolarHBondContact O-N 2.88Å; L198-F201 PolarHBondContact O-N 2.93Å; F201-T203 VanDerWaalsContact C-N 3.26Å; F201-T203 PolarHBondContact O-N 2.71Å; F201-A204 PolarHBondContact O-N 3.24Å; F201-L205 HydrophobicContact CD1-CD1 3.99Å; F201-L205 HydrophobicContact CD1-CG 4.41Å; F201-L205 HydrophobicContact CE1-CD1 3.56Å; F201-L205 HydrophobicContact CE1-CG 4.09Å; F201-L205 HydrophobicContact CZ-CD1 4.22Å; F201-L205 HydrophobicContact CZ-CD2 4.44Å; F201-L205 HydrophobicContact CZ-CG 4.39Å; F201-L205 PolarHBondContact O-N 3.2Å; F201-L214 HydrophobicContact CD1-CD1 4.21Å; F201-L214 HydrophobicContact CD1-CD2 3.84Å; F201-L214 HydrophobicContact CE1-CD2 3.98Å; F201-W337 HydrophobicContact CB-CE3 3.91Å; F201-W337 HydrophobicContact CB-CH2 3.71Å; F201-W337 HydrophobicContact CB-CZ2 4.46Å; F201-W337 HydrophobicContact CB-CZ3 3.4Å; F201-W337 VanDerWaalsContact CB-CZ3 3.4Å; F201-W337 AromaticContact CD1-CD2 3.45Å; F201-W337 HydrophobicContact CD1-CD2 3.45Å; F201-W337 VanDerWaalsContact CD1-CD2 3.45Å; F201-W337 AromaticContact CD1-CE2 3.85Å; F201-W337 AromaticContact CD1-CE3 3.45Å; F201-W337 HydrophobicContact CD1-CE3 3.45Å; F201-W337 VanDerWaalsContact CD1-CE3 3.45Å; F201-W337 AromaticContact CD1-CG 3.95Å; F201-W337 HydrophobicContact CD1-CG 3.95Å; F201-W337 HydrophobicContact CD1-CH2 4.17Å; F201-W337 HydrophobicContact CD1-CZ2 4.21Å; F201-W337 AromaticContact CD1-CZ3 3.82Å; F201-W337 HydrophobicContact CD1-CZ3 3.82Å; F201-W337 HydrophobicContact CD2-CD2 4.12Å; F201-W337 AromaticContact CD2-CE2 3.68Å; F201-W337 HydrophobicContact CD2-CE3 4.19Å; F201-W337 AromaticContact CD2-CH2 3.36Å; F201-W337 HydrophobicContact CD2-CH2 3.36Å; F201-W337 AromaticContact CD2-CZ2 3.3Å; F201-W337 HydrophobicContact CD2-CZ2 3.3Å; F201-W337 AromaticContact CD2-CZ3 3.84Å; F201-W337 HydrophobicContact CD2-CZ3 3.84Å; F201-W337 HydrophobicContact CE1-CB 4.2Å; F201-W337 AromaticContact CE1-CD1 3.71Å; F201-W337 AromaticContact CE1-CD2 3.43Å; F201-W337 HydrophobicContact CE1-CD2 3.43Å; F201-W337 VanDerWaalsContact CE1-CD2 3.43Å; F201-W337 AromaticContact CE1-CE2 3.63Å; F201-W337 AromaticContact CE1-CE3 3.96Å; F201-W337 HydrophobicContact CE1-CE3 3.96Å; F201-W337 AromaticContact CE1-CG 3.51Å; F201-W337 HydrophobicContact CE1-CG 3.51Å; F201-W337 HydrophobicContact CE1-CZ2 4.28Å; F201-W337 AromaticContact CE1-NE1 3.79Å; F201-W337 HydrophobicContact CE2-CD2 4.1Å; F201-W337 AromaticContact CE2-CE2 3.44Å; F201-W337 VanDerWaalsContact CE2-CE2 3.44Å; F201-W337 AromaticContact CE2-CH2 3.96Å; F201-W337 HydrophobicContact CE2-CH2 3.96Å; F201-W337 AromaticContact CE2-CZ2 3.38Å; F201-W337 HydrophobicContact CE2-CZ2 3.38Å; F201-W337 AromaticContact CE2-NE1 3.73Å; F201-W337 AromaticContact CG-CD2 3.82Å; F201-W337 HydrophobicContact CG-CD2 3.82Å; F201-W337 AromaticContact CG-CE2 3.89Å; F201-W337 AromaticContact CG-CE3 3.59Å; F201-W337 HydrophobicContact CG-CE3 3.59Å; F201-W337 AromaticContact CG-CH2 3.48Å; F201-W337 HydrophobicContact CG-CH2 3.48Å; F201-W337 VanDerWaalsContact CG-CH2 3.48Å; F201-W337 AromaticContact CG-CZ2 3.75Å; F201-W337 HydrophobicContact CG-CZ2 3.75Å; F201-W337 AromaticContact CG-CZ3 3.42Å; F201-W337 HydrophobicContact CG-CZ3 3.42Å; F201-W337 VanDerWaalsContact CG-CZ3 3.42Å; F201-W337 AromaticContact CZ-CD1 3.7Å; F201-W337 AromaticContact CZ-CD2 3.78Å; F201-W337 HydrophobicContact CZ-CD2 3.78Å; F201-W337 AromaticContact CZ-CE2 3.42Å; F201-W337 VanDerWaalsContact CZ-CE2 3.42Å; F201-W337 AromaticContact CZ-CG 3.96Å; F201-W337 HydrophobicContact CZ-CG 3.96Å; F201-W337 AromaticContact CZ-CZ2 3.9Å; F201-W337 HydrophobicContact CZ-CZ2 3.9Å; F201-W337 AromaticContact CZ-NE1 3.38Å
202	E	95.9	Very high	94.1	Very high	4 Å²	4	8 Å²	8	2%	0.019	5%	0.048	C	C	.	.	H	α-helix	trans	-60.5	-36.9	173.9	-171.5	168.3	57.4	0	0	111.8	A136 R138 L198 L205 R206 G213 L214	A136-E202 HydrophobicContact CB-CG 4.43Å; R138-E202 IonicContact CZ-OE1 3.93Å; R138-E202 IonicContact CZ-OE2 3.66Å; R138-E202 IonicContact NE-OE1 3.88Å; R138-E202 PolarHBondContact NE-OE1 3.2Å; R138-E202 IonicContact NE-OE2 3.94Å; R138-E202 PolarHBondContact NE-OE2 3.37Å; R138-E202 IonicContact NH2-OE1 2.87Å; R138-E202 PolarHBondContact NH2-OE1 3.15Å; R138-E202 IonicContact NH2-OE2 2.77Å; L198-E202 VanDerWaalsContact O-CB 3.25Å; L198-E202 WeakPolarHBondContact O-CB 3.34Å; L198-E202 PolarHBondContact O-N 3.48Å; E202-L205 PolarHBondContact O-N 2.95Å; E202-R206 HydrophobicContact CG-CG 4.43Å; E202-R206 VanDerWaalsContact O-CB 3.28Å; E202-R206 WeakPolarHBondContact O-CB 3.21Å; E202-R206 WeakPolarHBondContact O-CD 3.46Å; E202-R206 WeakPolarHBondContact O-CG 3.45Å; E202-R206 PolarHBondContact O-N 2.92Å; E202-G213 WeakPolarHBondContact OE2-CA 3.1Å; E202-L214 HydrophobicContact CB-CD1 3.8Å; E202-L214 HydrophobicContact CB-CG 3.82Å; E202-L214 HydrophobicContact CG-CD1 4.46Å; E202-L214 HydrophobicContact CG-CG 4.01Å; E202-L214 PolarHBondContact OE2-N 3.45Å
203	T	92.3	Very high	94.1	Very high	7 Å²	7	8.7 Å²	8.7	4%	0.043	6%	0.055	C	C	.	.	H	α-helix	trans	-66.1	-41.3	176.1	-57	0	0	0	0	111.5	L107 C116 L117 R199 L200 F201 R206 S207	L107-T203 HydrophobicContact CD2-CG2 3.76Å; C116-T203 HydrophobicContact CB-CG2 3.85Å; L117-T203 HydrophobicContact CD2-CG2 3.89Å; L117-T203 WeakPolarHBondContact CD2-O 3.32Å; L117-T203 HydrophobicContact CG-CG2 4.48Å; R199-T203 WeakPolarHBondContact O-CB 3.45Å; R199-T203 PolarHBondContact O-N 3.13Å; R199-T203 PolarHBondContact O-OG1 3.36Å; L200-T203 WeakPolarHBondContact O-CB 3.47Å; L200-T203 PolarHBondContact O-N 3.37Å; L200-T203 VanDerWaalsContact O-N 3.16Å; F201-T203 VanDerWaalsContact C-N 3.26Å; F201-T203 PolarHBondContact O-N 2.71Å; T203-R206 CarbonylContact O-C 3.38Å; T203-R206 PolarHBondContact O-N 3.46Å; T203-S207 PolarHBondContact O-N 3.47Å
204	A	92.2	Very high	94.3	Very high	3 Å²	3	8.7 Å²	8.7	3%	0.025	6%	0.055	C	C	.	.	H	α-helix	trans	-64.3	-40.9	175	0	0	0	0	0	112.5	L159 F172 L200 F201 R206 S207	L159-A204 HydrophobicContact CD1-CB 4.22Å; L159-A204 HydrophobicContact CD2-CB 4.37Å; F172-A204 HydrophobicContact CE2-CB 4.16Å; F172-A204 HydrophobicContact CZ-CB 3.91Å; L200-A204 PolarHBondContact O-N 3.4Å; F201-A204 PolarHBondContact O-N 3.24Å; A204-R206 VanDerWaalsContact C-N 3.31Å; A204-R206 PolarHBondContact O-N 2.03Å; A204-S207 PolarHBondContact O-N 2.89Å; A204-S207 PolarHBondContact O-OG 2.8Å
205	L	93.7	Very high	94.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-64.7	-38	172.3	-67	179.3	0	0	0	111.9	F152 A155 I156 L159 F201 E202 S207 I208 D209 I212 L214	F152-L205 HydrophobicContact CD2-CD1 4.38Å; F152-L205 HydrophobicContact CE2-CD1 3.94Å; A155-L205 HydrophobicContact CB-CD2 4.07Å; I156-L205 HydrophobicContact CG1-CD1 4.15Å; I156-L205 HydrophobicContact CG1-CD2 3.78Å; L159-L205 HydrophobicContact CB-CD2 4.34Å; L159-L205 HydrophobicContact CD2-CD2 3.87Å; L159-L205 HydrophobicContact CD2-CG 4.44Å; F201-L205 HydrophobicContact CD1-CD1 3.99Å; F201-L205 HydrophobicContact CD1-CG 4.41Å; F201-L205 HydrophobicContact CE1-CD1 3.56Å; F201-L205 HydrophobicContact CE1-CG 4.09Å; F201-L205 HydrophobicContact CZ-CD1 4.22Å; F201-L205 HydrophobicContact CZ-CD2 4.44Å; F201-L205 HydrophobicContact CZ-CG 4.39Å; F201-L205 PolarHBondContact O-N 3.2Å; E202-L205 PolarHBondContact O-N 2.95Å; L205-S207 VanDerWaalsContact C-N 3.31Å; L205-S207 PolarHBondContact O-N 3.49Å; L205-I208 WeakPolarHBondContact O-CB 3.29Å; L205-I208 PolarHBondContact O-N 2.77Å; L205-D209 PolarHBondContact O-N 3.34Å; L205-I212 HydrophobicContact CB-CD1 4.46Å; L205-I212 HydrophobicContact CB-CG2 4.13Å; L205-I212 HydrophobicContact CD1-CG2 4.31Å; L205-L214 HydrophobicContact CD1-CD2 3.64Å
206	R	91.8	Very high	94.4	Very high	6 Å²	6	8.4 Å²	8.4	2%	0.023	5%	0.054	C	C	.	.	H	α-helix	trans	-72.9	-20.4	179.9	-73.2	170.8	66.7	75.4	4.5	113.6	L117 F119 Q131 T134 E202 T203 A204 D209 P210 I212	L117-R206 HydrophobicContact CD1-CB 3.81Å; L117-R206 HydrophobicContact CD2-CB 3.84Å; F119-R206 WeakPolarHBondContact CZ-O 3.18Å; Q131-R206 PolarHBondContact O-NH2 3.42Å; T134-R206 PolarHBondContact O-NH2 3.32Å; E202-R206 HydrophobicContact CG-CG 4.43Å; E202-R206 VanDerWaalsContact O-CB 3.28Å; E202-R206 WeakPolarHBondContact O-CB 3.21Å; E202-R206 WeakPolarHBondContact O-CD 3.46Å; E202-R206 WeakPolarHBondContact O-CG 3.45Å; E202-R206 PolarHBondContact O-N 2.92Å; T203-R206 CarbonylContact O-C 3.38Å; T203-R206 PolarHBondContact O-N 3.46Å; A204-R206 VanDerWaalsContact C-N 3.31Å; A204-R206 PolarHBondContact O-N 2.03Å; R206-D209 WeakPolarHBondContact CA-O 3.44Å; R206-D209 CarbonylContact O-C 3.57Å; R206-P210 PolarHBondContact NH1-O 3Å; R206-P210 PolarHBondContact NH2-O 2.84Å; R206-P210 VanDerWaalsContact O-CA 3.32Å; R206-P210 WeakPolarHBondContact O-CA 3.46Å; R206-P210 VanDerWaalsContact O-N 3.14Å; R206-I212 VanDerWaalsContact CD-O 3.25Å; R206-I212 WeakPolarHBondContact CD-O 3.5Å; R206-I212 HydrophobicContact CG-CB 4.34Å; R206-I212 WeakPolarHBondContact CG-O 3.19Å; R206-I212 PolarHBondContact NH1-O 3.08Å
207	S	87.7	Confident	94.5	Very high	44 Å²	44	8.3 Å²	8.3	31%	0.308	5%	0.053	S	C	.	.	H	α-helix	trans	-69.6	-24	167.7	58.1	0	0	0	0	112.5	T203 A204 L205	T203-S207 PolarHBondContact O-N 3.47Å; A204-S207 PolarHBondContact O-N 2.89Å; A204-S207 PolarHBondContact O-OG 2.8Å; L205-S207 VanDerWaalsContact C-N 3.31Å; L205-S207 PolarHBondContact O-N 3.49Å
208	I	89.4	Confident	94.5	Very high	29 Å²	29	8.5 Å²	8.5	15%	0.149	5%	0.054	C	C	.	.	H	α-helix	trans	-81.5	-53.4	171.9	-59.2	167.2	0	0	0	110	A155 Q158 L159 Q165 L205	A155-I208 HydrophobicContact CB-CB 4.25Å; A155-I208 HydrophobicContact CB-CD1 4.37Å; A155-I208 HydrophobicContact CB-CG2 4.01Å; A155-I208 VanDerWaalsContact O-CD1 3.31Å; A155-I208 WeakPolarHBondContact O-CD1 3.38Å; Q158-I208 HydrophobicContact CB-CD1 4.16Å; Q158-I208 HydrophobicContact CG-CD1 4.11Å; Q158-I208 HydrophobicContact CG-CG2 4.5Å; L159-I208 HydrophobicContact CB-CD1 4.18Å; L159-I208 HydrophobicContact CD1-CD1 4.42Å; Q165-I208 HydrophobicContact CG-CD1 4.32Å; L205-I208 WeakPolarHBondContact O-CB 3.29Å; L205-I208 PolarHBondContact O-N 2.77Å
209	D	90.9	Very high	94.4	Very high	22 Å²	22	8.5 Å²	8.5	12%	0.118	5%	0.054	C	C	.	.			trans	-137.7	107.4	176.4	178.3	-1.7	0	0	0	111.5	R151 L205 R206 S211 I212	R151-D209 WeakPolarHBondContact CD-OD2 3.38Å; R151-D209 IonicContact NE-OD2 3.55Å; R151-D209 PolarHBondContact NE-OD2 2.99Å; R151-D209 VanDerWaalsContact NE-OD2 3.16Å; L205-D209 PolarHBondContact O-N 3.34Å; R206-D209 WeakPolarHBondContact CA-O 3.44Å; R206-D209 CarbonylContact O-C 3.57Å; D209-S211 PolarHBondContact O-N 3.19Å; D209-S211 VanDerWaalsContact OD1-CB 3.26Å; D209-S211 WeakPolarHBondContact OD1-CB 3.49Å; D209-S211 PolarHBondContact OD1-N 3.13Å; D209-S211 PolarHBondContact OD1-OG 2.58Å; D209-S211 PolarHBondContact OD2-OG 2.54Å; D209-I212 HydrophobicContact CB-CD1 3.73Å; D209-I212 HydrophobicContact CB-CG1 3.93Å; D209-I212 WeakPolarHBondContact O-CB 3.26Å; D209-I212 PolarHBondContact O-N 3.32Å
210	P	90.7	Very high	94.4	Very high	1 Å²	1	9 Å²	9	1%	0.006	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-3.8	-176.4	28.3	-35.1	0	0	0	113.9	F119 K128 Q131 A132 R206	F119-P210 HydrophobicContact CE2-CB 3.89Å; F119-P210 HydrophobicContact CE2-CG 4.11Å; F119-P210 HydrophobicContact CZ-CB 3.86Å; F119-P210 HydrophobicContact CZ-CG 3.83Å; K128-P210 HydrophobicContact CB-CG 3.97Å; K128-P210 HydrophobicContact CG-CG 4.08Å; Q131-P210 CarbonylContact C-O 3.6Å; Q131-P210 HydrophobicContact CB-CB 4.36Å; A132-P210 HydrophobicContact CB-CB 3.86Å; R206-P210 PolarHBondContact NH1-O 3Å; R206-P210 PolarHBondContact NH2-O 2.84Å; R206-P210 VanDerWaalsContact O-CA 3.32Å; R206-P210 WeakPolarHBondContact O-CA 3.46Å; R206-P210 VanDerWaalsContact O-N 3.14Å
211	S	91.4	Very high	94.5	Very high	33 Å²	33	9.3 Å²	9.3	23%	0.231	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-13.2	172.6	77	0	0	0	0	113.8	Q131 R151 D209	Q131-S211 VanDerWaalsContact NE2-CB 3.31Å; R151-S211 PolarHBondContact NE-OG 3.14Å; D209-S211 PolarHBondContact O-N 3.19Å; D209-S211 VanDerWaalsContact OD1-CB 3.26Å; D209-S211 WeakPolarHBondContact OD1-CB 3.49Å; D209-S211 PolarHBondContact OD1-N 3.13Å; D209-S211 PolarHBondContact OD1-OG 2.58Å; D209-S211 PolarHBondContact OD2-OG 2.54Å
212	I	95.2	Very high	94.6	Very high	8 Å²	8	9.3 Å²	9.3	4%	0.041	6%	0.059	C	C	.	.			trans	-71.4	135.2	-175.7	-68.2	176.3	0	0	0	111.2	F152 A155 L205 R206 D209	F152-I212 HydrophobicContact CD2-CG2 4.08Å; A155-I212 HydrophobicContact CB-CD1 3.21Å; L205-I212 HydrophobicContact CB-CD1 4.46Å; L205-I212 HydrophobicContact CB-CG2 4.13Å; L205-I212 HydrophobicContact CD1-CG2 4.31Å; R206-I212 VanDerWaalsContact CD-O 3.25Å; R206-I212 WeakPolarHBondContact CD-O 3.5Å; R206-I212 HydrophobicContact CG-CB 4.34Å; R206-I212 WeakPolarHBondContact CG-O 3.19Å; R206-I212 PolarHBondContact NH1-O 3.08Å; D209-I212 HydrophobicContact CB-CD1 3.73Å; D209-I212 HydrophobicContact CB-CG1 3.93Å; D209-I212 WeakPolarHBondContact O-CB 3.26Å; D209-I212 PolarHBondContact O-N 3.32Å
213	G	96.5	Very high	94.5	Very high	14 Å²	14	11 Å²	11	14%	0.144	7%	0.069	C	C	.	.			trans	-124	144.5	156.1	0	0	0	0	0	108.8	E202 P215	E202-G213 WeakPolarHBondContact OE2-CA 3.1Å; G213-P215 WeakPolarHBondContact O-CD 3.38Å
214	L	98.4	Very high	94.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.076	C	C	.	.			trans	-61	119.8	178.7	-75.4	-179.8	0	0	0	109.6	R138 F152 L198 F201 E202 L205 T341	R138-L214 VanDerWaalsContact CA-O 3.32Å; R138-L214 WeakPolarHBondContact CA-O 3.5Å; R138-L214 WeakPolarHBondContact CB-O 3.3Å; R138-L214 HydrophobicContact CG-CB 4.5Å; R138-L214 WeakPolarHBondContact CG-O 3.26Å; F152-L214 HydrophobicContact CE2-CD2 3.97Å; L198-L214 HydrophobicContact CB-CD1 4.27Å; L198-L214 HydrophobicContact CD2-CD1 3.91Å; L198-L214 WeakPolarHBondContact O-CD1 3.41Å; F201-L214 HydrophobicContact CD1-CD1 4.21Å; F201-L214 HydrophobicContact CD1-CD2 3.84Å; F201-L214 HydrophobicContact CE1-CD2 3.98Å; E202-L214 HydrophobicContact CB-CD1 3.8Å; E202-L214 HydrophobicContact CB-CG 3.82Å; E202-L214 HydrophobicContact CG-CD1 4.46Å; E202-L214 HydrophobicContact CG-CG 4.01Å; E202-L214 PolarHBondContact OE2-N 3.45Å; L205-L214 HydrophobicContact CD1-CD2 3.64Å; L214-T341 HydrophobicContact CB-CG2 4.21Å
215	P	98.7	Very high	94.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.077	C	C	.	.			trans	-71.7	158.8	170.5	28.9	-29	0	0	0	110.1	R139 Y141 L144 F152 G213 L338	R139-P215 CarbonylContact O-C 3.53Å; R139-P215 WeakPolarHBondContact O-CA 3.35Å; R139-P215 WeakPolarHBondContact O-CB 3.21Å; Y141-P215 HydrophobicContact CD2-CB 3.63Å; Y141-P215 HydrophobicContact CD2-CG 3.48Å; Y141-P215 VanDerWaalsContact CD2-CG 3.48Å; Y141-P215 HydrophobicContact CE2-CG 4Å; Y141-P215 HydrophobicContact CG-CB 4.23Å; Y141-P215 HydrophobicContact CG-CG 4.38Å; L144-P215 HydrophobicContact CD1-CB 4Å; L144-P215 HydrophobicContact CD1-CG 4.19Å; F152-P215 HydrophobicContact CD1-CG 4.14Å; F152-P215 HydrophobicContact CD2-CG 4.45Å; F152-P215 HydrophobicContact CE1-CG 3.72Å; F152-P215 VanDerWaalsContact CE2-CD 3.43Å; F152-P215 HydrophobicContact CE2-CG 4.07Å; F152-P215 HydrophobicContact CG-CG 4.46Å; F152-P215 VanDerWaalsContact CZ-CD 3.48Å; F152-P215 HydrophobicContact CZ-CG 3.65Å; G213-P215 WeakPolarHBondContact O-CD 3.38Å; P215-L338 HydrophobicContact CG-CD1 4.17Å; P215-L338 HydrophobicContact CG-CD2 4.43Å; P215-L338 HydrophobicContact CG-CG 4.06Å; P215-L338 WeakPolarHBondContact O-CA 3.25Å
216	Y	98.7	Very high	94.9	Very high	1 Å²	1	14.7 Å²	14.7	0%	0.004	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-112.8	151.9	169.4	58.2	-98.8	0	0	0	111.3	R139 E140 Y141 D218 L338 F342 R345 Y403 Q404 G405 S406	R139-Y216 PolarHBondContact O-N 3.05Å; E140-Y216 WeakPolarHBondContact CA-O 3.44Å; E140-Y216 HydrophobicContact CB-CD2 4.11Å; E140-Y216 HydrophobicContact CB-CE2 3.44Å; E140-Y216 VanDerWaalsContact CB-CE2 3.44Å; E140-Y216 HydrophobicContact CG-CD2 4.08Å; E140-Y216 HydrophobicContact CG-CE2 3.66Å; Y141-Y216 PolarHBondContact N-O 2.82Å; Y216-D218 HydrophobicContact CD2-CB 4.21Å; Y216-D218 HydrophobicContact CE2-CB 4.16Å; Y216-L338 WeakPolarHBondContact CA-O 3.44Å; Y216-F342 AromaticContact CD2-CD2 3.77Å; Y216-F342 HydrophobicContact CD2-CD2 3.77Å; Y216-F342 HydrophobicContact CE2-CD2 4.39Å; Y216-F342 HydrophobicContact CG-CD2 4.43Å; Y216-R345 VanDerWaalsContact CE1-CD 3.47Å; Y216-Y403 HydrophobicContact CD1-CD1 4.16Å; Y216-Y403 HydrophobicContact CD1-CE1 4.41Å; Y216-Y403 HydrophobicContact CE1-CD1 4.28Å; Y216-Q404 WeakPolarHBondContact CE1-O 3.39Å; Y216-Q404 PolarHBondContact OH-O 3.48Å; Y216-G405 PolarHBondContact OH-O 3.49Å; Y216-G405 VanDerWaalsContact OH-O 3.14Å; Y216-S406 PolarHBondContact OH-N 3.4Å
217	F	98.4	Very high	95.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.1	C	C	.	.			trans	-102.3	99.1	173.5	175	-152	0	0	0	109.8	T219 D222 M233 W234 V335 L338 F342	F217-T219 HydrophobicContact CD1-CG2 3.6Å; F217-T219 HydrophobicContact CD2-CG2 4.21Å; F217-T219 HydrophobicContact CE1-CG2 3.33Å; F217-T219 HydrophobicContact CE2-CG2 3.94Å; F217-T219 HydrophobicContact CG-CG2 4.04Å; F217-T219 HydrophobicContact CZ-CG2 3.52Å; F217-T219 PolarHBondContact O-N 3.26Å; F217-T219 VanDerWaalsContact O-N 3.12Å; F217-D222 VanDerWaalsContact CE2-OD2 3.27Å; F217-D222 WeakPolarHBondContact CE2-OD2 3.48Å; F217-M233 HydrophobicContact CB-CE 4.29Å; F217-M233 HydrophobicContact CD1-CE 4.13Å; F217-M233 HydrophobicContact CD2-CE 3.56Å; F217-M233 HydrophobicContact CD2-CG 4.16Å; F217-M233 HydrophobicContact CD2-SD 3.99Å; F217-M233 HydrophobicContact CE1-CE 4.32Å; F217-M233 HydrophobicContact CE2-CB 4.47Å; F217-M233 HydrophobicContact CE2-CE 3.81Å; F217-M233 HydrophobicContact CE2-CG 3.55Å; F217-M233 HydrophobicContact CE2-SD 4.01Å; F217-M233 HydrophobicContact CG-CE 3.74Å; F217-M233 HydrophobicContact CZ-CB 4.44Å; F217-M233 HydrophobicContact CZ-CE 4.18Å; F217-M233 HydrophobicContact CZ-CG 3.97Å; F217-W234 HydrophobicContact CE1-CZ2 4.29Å; F217-V335 HydrophobicContact CD1-CG1 4.28Å; F217-L338 HydrophobicContact CB-CB 3.72Å; F217-L338 HydrophobicContact CB-CD2 4.11Å; F217-L338 PolarHBondContact N-O 3.04Å; F217-F342 WeakPolarHBondContact O-CB 3.25Å; F217-F342 WeakPolarHBondContact O-CG 3.44Å
218	D	97.6	Very high	95.6	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.021	10%	0.095	C	C	.	.			trans	-79.8	92.3	174.1	-171.4	-16.2	0	0	0	110.1	E140 R142 Y216 T220 L221 F342 S406	E140-D218 HydrophobicContact CG-CB 3.85Å; R142-D218 PolarHBondContact NH2-O 3.35Å; Y216-D218 HydrophobicContact CD2-CB 4.21Å; Y216-D218 HydrophobicContact CE2-CB 4.16Å; D218-T220 PolarHBondContact O-N 2.88Å; D218-T220 VanDerWaalsContact OD1-CB 3.25Å; D218-T220 WeakPolarHBondContact OD1-CB 3.4Å; D218-T220 WeakPolarHBondContact OD1-CG2 3.48Å; D218-T220 PolarHBondContact OD1-N 2.79Å; D218-T220 PolarHBondContact OD1-OG1 3.43Å; D218-L221 HydrophobicContact CB-CD1 4.11Å; D218-L221 HydrophobicContact CB-CG 4.16Å; D218-L221 WeakPolarHBondContact O-CB 3.42Å; D218-L221 WeakPolarHBondContact O-CG 3.43Å; D218-L221 PolarHBondContact O-N 3.33Å; D218-L221 VanDerWaalsContact O-N 3.13Å; D218-F342 HydrophobicContact CB-CD2 3.95Å; D218-F342 HydrophobicContact CB-CE2 3.54Å; D218-F342 HydrophobicContact CB-CZ 4.1Å; D218-F342 WeakPolarHBondContact OD1-CE2 3.49Å; D218-F342 WeakPolarHBondContact OD1-CZ 3.41Å; D218-S406 WeakPolarHBondContact OD2-CB 3.35Å; D218-S406 PolarHBondContact OD2-OG 2.84Å
219	T	96.4	Very high	95.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-66.5	-13.3	-179.6	57.8	0	0	0	0	113.6	F217 L221 D222 D223 L274 F275 V316	F217-T219 HydrophobicContact CD1-CG2 3.6Å; F217-T219 HydrophobicContact CD2-CG2 4.21Å; F217-T219 HydrophobicContact CE1-CG2 3.33Å; F217-T219 HydrophobicContact CE2-CG2 3.94Å; F217-T219 HydrophobicContact CG-CG2 4.04Å; F217-T219 HydrophobicContact CZ-CG2 3.52Å; F217-T219 PolarHBondContact O-N 3.26Å; F217-T219 VanDerWaalsContact O-N 3.12Å; T219-L221 PolarHBondContact O-N 2.95Å; T219-D222 PolarHBondContact O-N 3.19Å; T219-D223 PolarHBondContact O-N 3.01Å; T219-L274 HydrophobicContact CG2-CD2 3.81Å; T219-F275 WeakPolarHBondContact OG1-CB 3.32Å; T219-F275 PolarHBondContact OG1-N 3.37Å; T219-F275 VanDerWaalsContact OG1-N 3.07Å; T219-V316 HydrophobicContact CG2-CG1 3.97Å; T219-V316 HydrophobicContact CG2-CG2 4.34Å
220	T	94.8	Very high	96.2	Very high	14 Å²	14	17.9 Å²	17.9	9%	0.086	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-67.3	-17.6	173.1	76.6	0	0	0	0	111.9	D218 D222 P224 F275 I280 F342 R429	D218-T220 PolarHBondContact O-N 2.88Å; D218-T220 VanDerWaalsContact OD1-CB 3.25Å; D218-T220 WeakPolarHBondContact OD1-CB 3.4Å; D218-T220 WeakPolarHBondContact OD1-CG2 3.48Å; D218-T220 PolarHBondContact OD1-N 2.79Å; D218-T220 PolarHBondContact OD1-OG1 3.43Å; T220-D222 VanDerWaalsContact C-N 3.27Å; T220-P224 WeakPolarHBondContact O-CD 3.45Å; T220-F275 VanDerWaalsContact CA-O 3.27Å; T220-F275 WeakPolarHBondContact CA-O 3.39Å; T220-F275 HydrophobicContact CG2-CB 3.65Å; T220-F275 WeakPolarHBondContact CG2-O 3.23Å; T220-I280 HydrophobicContact CG2-CD1 4.34Å; T220-I280 HydrophobicContact CG2-CG1 3.87Å; T220-F342 HydrophobicContact CG2-CZ 4.32Å; T220-R429 PolarHBondContact O-NH2 3.16Å
221	L	98	Very high	96.5	Very high	5 Å²	5	17.8 Å²	17.8	3%	0.026	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-76.2	-18.1	173	-56.5	178.2	0	0	0	112	E140 D218 T219 P407 L421 C430 V431 S432	E140-L221 HydrophobicContact CG-CD1 3.83Å; D218-L221 HydrophobicContact CB-CD1 4.11Å; D218-L221 HydrophobicContact CB-CG 4.16Å; D218-L221 WeakPolarHBondContact O-CB 3.42Å; D218-L221 WeakPolarHBondContact O-CG 3.43Å; D218-L221 PolarHBondContact O-N 3.33Å; D218-L221 VanDerWaalsContact O-N 3.13Å; T219-L221 PolarHBondContact O-N 2.95Å; L221-P407 HydrophobicContact CD1-CG 3.73Å; L221-P407 HydrophobicContact CD2-CG 4.4Å; L221-L421 HydrophobicContact CD1-CD1 4.08Å; L221-L421 HydrophobicContact CD1-CD2 4.01Å; L221-C430 HydrophobicContact CD2-CB 4.03Å; L221-C430 VanDerWaalsContact CD2-O 3.25Å; L221-C430 WeakPolarHBondContact CD2-O 3.35Å; L221-V431 CarbonylContact O-C 3.59Å; L221-V431 WeakPolarHBondContact O-CA 3.46Å; L221-V431 WeakPolarHBondContact O-CG1 2.99Å; L221-S432 PolarHBondContact O-N 2.9Å
222	D	97.9	Very high	96.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-31.8	-173.5	-59.1	-106	0	0	0	112.3	R142 F217 T219 T220 P224 L225 S231 L274 S432	R142-D222 IonicContact CZ-OD1 2.71Å; R142-D222 IonicContact CZ-OD2 3.91Å; R142-D222 VanDerWaalsContact CZ-OD2 3.26Å; R142-D222 IonicContact NH1-OD1 3.16Å; R142-D222 PolarHBondContact NH1-OD1 3.42Å; R142-D222 IonicContact NH1-OD2 3.21Å; R142-D222 PolarHBondContact NH1-OD2 3.37Å; R142-D222 IonicContact NH2-OD2 2.77Å; R142-D222 PolarHBondContact NH2-OD2 2.99Å; F217-D222 VanDerWaalsContact CE2-OD2 3.27Å; F217-D222 WeakPolarHBondContact CE2-OD2 3.48Å; T219-D222 PolarHBondContact O-N 3.19Å; T220-D222 VanDerWaalsContact C-N 3.27Å; D222-P224 VanDerWaalsContact C-N 3.27Å; D222-L225 VanDerWaalsContact O-CB 3.25Å; D222-L225 WeakPolarHBondContact O-CB 3.13Å; D222-L225 WeakPolarHBondContact O-CG 3.26Å; D222-L225 PolarHBondContact O-N 3.16Å; D222-S231 WeakPolarHBondContact OD1-CB 3.39Å; D222-S231 PolarHBondContact OD1-OG 2.63Å; D222-L274 HydrophobicContact CB-CD1 3.57Å; D222-S432 PolarHBondContact OD1-OG 3.39Å
223	D	93.7	Very high	97	Very high	41 Å²	41	16 Å²	16	22%	0.219	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-38	176.8	170.9	80.7	0	0	0	114.4	T219 L225 L274 R276	T219-D223 PolarHBondContact O-N 3.01Å; D223-L225 PolarHBondContact O-N 3.34Å; D223-L274 HydrophobicContact CB-CB 4.12Å; D223-R276 WeakPolarHBondContact OD1-CG 3.34Å; D223-R276 IonicContact OD1-NE 2.89Å
224	P	94.6	Very high	97.1	Very high	30 Å²	30	16.3 Å²	16.3	20%	0.195	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-13.1	178.4	-21.4	35	0	0	0	115.2	T220 D222 V431 Y443	T220-P224 WeakPolarHBondContact O-CD 3.45Å; D222-P224 VanDerWaalsContact C-N 3.27Å; P224-V431 HydrophobicContact CB-CG1 4.27Å; P224-V431 HydrophobicContact CB-CG2 4.31Å; P224-V431 HydrophobicContact CG-CG2 4.33Å; P224-Y443 PolarHBondContact O-OH 3.15Å; P224-Y443 VanDerWaalsContact O-OH 3.06Å
225	L	96.9	Very high	97	Very high	8 Å²	8	17.1 Å²	17.1	4%	0.042	9%	0.093	C	C	.	.	S	Bend	trans	-64.7	146.2	-177.3	-68.9	-179.8	0	0	0	111.5	D222 D223 T227 P228 V431 S432 V434 I448	D222-L225 VanDerWaalsContact O-CB 3.25Å; D222-L225 WeakPolarHBondContact O-CB 3.13Å; D222-L225 WeakPolarHBondContact O-CG 3.26Å; D222-L225 PolarHBondContact O-N 3.16Å; D223-L225 PolarHBondContact O-N 3.34Å; L225-T227 PolarHBondContact O-N 3.31Å; L225-P228 HydrophobicContact CB-CB 4.4Å; L225-P228 HydrophobicContact CB-CG 4.22Å; L225-P228 WeakPolarHBondContact O-CD 3.46Å; L225-V431 HydrophobicContact CD2-CG1 3.82Å; L225-V431 HydrophobicContact CG-CG1 4.34Å; L225-S432 WeakPolarHBondContact CD2-O 3.48Å; L225-V434 HydrophobicContact CD1-CG2 4.15Å; L225-V434 HydrophobicContact CD2-CG2 3.59Å; L225-V434 HydrophobicContact CG-CG2 4.44Å; L225-I448 HydrophobicContact CD2-CD1 3.88Å; L225-I448 HydrophobicContact CD2-CG1 4.34Å
226	P	95.8	Very high	96.9	Very high	49 Å²	49	23.4 Å²	23.4	32%	0.318	12%	0.123	S	C	.	.	S	Bend	trans	-56.8	-41.4	175	-24.9	34.9	0	0	0	112.2	D439 G441 Y443	P226-D439 HydrophobicContact CB-CB 4.4Å; P226-D439 WeakPolarHBondContact CB-OD2 3.48Å; P226-G441 WeakPolarHBondContact CG-O 3.45Å; P226-Y443 HydrophobicContact CG-CD2 3.95Å; P226-Y443 HydrophobicContact CG-CE2 4Å
227	T	96.1	Very high	96.8	Very high	31 Å²	31	26.8 Å²	26.8	19%	0.19	14%	0.138	C	C	.	.	S	Bend	trans	-132.9	90.2	176	-65	0	0	0	0	108.7	L225 R229 D230 D439	L225-T227 PolarHBondContact O-N 3.31Å; T227-R229 HydrophobicContact CG2-CG 3.41Å; T227-R229 VanDerWaalsContact CG2-CG 3.41Å; T227-R229 PolarHBondContact O-N 3.06Å; T227-D230 HydrophobicContact CG2-CB 4.47Å; T227-D230 WeakPolarHBondContact CG2-OD2 3.35Å; T227-D230 WeakPolarHBondContact O-CB 3.3Å; T227-D230 PolarHBondContact O-N 3.39Å; T227-D439 PolarHBondContact OG1-OD2 3.19Å
228	P	96.6	Very high	96.8	Very high	30 Å²	30	26.8 Å²	26.8	20%	0.195	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-61	-20.2	-172.1	-26	34.4	0	0	0	115.7	L225 D230 S231 L274 W319	L225-P228 HydrophobicContact CB-CB 4.4Å; L225-P228 HydrophobicContact CB-CG 4.22Å; L225-P228 WeakPolarHBondContact O-CD 3.46Å; P228-D230 PolarHBondContact O-N 3.03Å; P228-S231 WeakPolarHBondContact O-CB 3.3Å; P228-S231 PolarHBondContact O-N 3.46Å; P228-L274 HydrophobicContact CB-CD1 3.81Å; P228-W319 HydrophobicContact CB-CH2 4.27Å; P228-W319 HydrophobicContact CB-CZ2 3.83Å
229	R	95.9	Very high	96.8	Very high	76 Å²	76	26.6 Å²	26.6	29%	0.287	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-68.1	-14.5	171.8	64.8	176.1	-175.1	-161	0.2	113.8	T227 S231 V266	T227-R229 HydrophobicContact CG2-CG 3.41Å; T227-R229 VanDerWaalsContact CG2-CG 3.41Å; T227-R229 PolarHBondContact O-N 3.06Å; R229-S231 VanDerWaalsContact C-N 3.27Å; R229-V266 HydrophobicContact CB-CG1 3.86Å; R229-V266 WeakPolarHBondContact CB-O 3.47Å
230	D	97.6	Very high	96.9	Very high	30 Å²	30	26.6 Å²	26.6	16%	0.16	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-89.3	6.7	174.9	-60.7	-13.1	0	0	0	111.9	T227 P228 V434 V435 G438 D439	T227-D230 HydrophobicContact CG2-CB 4.47Å; T227-D230 WeakPolarHBondContact CG2-OD2 3.35Å; T227-D230 WeakPolarHBondContact O-CB 3.3Å; T227-D230 PolarHBondContact O-N 3.39Å; P228-D230 PolarHBondContact O-N 3.03Å; D230-V434 HydrophobicContact CB-CG1 3.95Å; D230-V434 WeakPolarHBondContact O-CA 3.14Å; D230-V435 WeakPolarHBondContact O-CG2 3.17Å; D230-V435 PolarHBondContact O-N 2.6Å; D230-G438 WeakPolarHBondContact OD2-CA 2.96Å; D230-D439 PolarHBondContact OD2-N 3.05Å
231	S	98.4	Very high	97	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-58	145.7	173.4	174.9	0	0	0	0	112.4	D222 P228 R229 M233 W234 S432	D222-S231 WeakPolarHBondContact OD1-CB 3.39Å; D222-S231 PolarHBondContact OD1-OG 2.63Å; P228-S231 WeakPolarHBondContact O-CB 3.3Å; P228-S231 PolarHBondContact O-N 3.46Å; R229-S231 VanDerWaalsContact C-N 3.27Å; S231-M233 PolarHBondContact O-N 3.04Å; S231-M233 PolarHBondContact OG-N 3.28Å; S231-W234 PolarHBondContact O-N 2.93Å; S231-S432 PolarHBondContact OG-OG 3.09Å
232	I	98.1	Very high	96.9	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.01	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-53.4	-22	172.1	-165.8	59	0	0	0	113.8	R142 W234 S235 F238 Y420 K433 V435 Y450	R142-I232 HydrophobicContact CG-CG2 4.26Å; I232-W234 PolarHBondContact O-N 3.26Å; I232-S235 VanDerWaalsContact O-CB 3.27Å; I232-S235 WeakPolarHBondContact O-CB 3.25Å; I232-S235 PolarHBondContact O-N 2.96Å; I232-S235 PolarHBondContact O-OG 3.24Å; I232-F238 HydrophobicContact CG1-CD2 4.1Å; I232-F238 HydrophobicContact CG1-CE2 3.9Å; I232-Y420 HydrophobicContact CG1-CD1 4.04Å; I232-K433 WeakPolarHBondContact CB-O 3.41Å; I232-K433 PolarHBondContact N-O 2.85Å; I232-V435 HydrophobicContact CD1-CG1 3.97Å; I232-Y450 HydrophobicContact CD1-CD1 3.48Å; I232-Y450 VanDerWaalsContact CD1-CD1 3.48Å; I232-Y450 HydrophobicContact CD1-CD2 4.47Å; I232-Y450 HydrophobicContact CD1-CE1 3.96Å; I232-Y450 HydrophobicContact CD1-CG 3.77Å; I232-Y450 HydrophobicContact CG1-CG 4.41Å
233	M	98.1	Very high	96.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-54.4	-33.3	172.9	-73	-64.1	-60.8	0	0	113.2	Y141 R142 F217 S231 S235 F238 M239 L338	Y141-M233 HydrophobicContact CD1-CE 3.75Å; Y141-M233 HydrophobicContact CD1-SD 3.84Å; Y141-M233 HydrophobicContact CE1-CE 4.27Å; R142-M233 HydrophobicContact CG-SD 3.87Å; F217-M233 HydrophobicContact CB-CE 4.29Å; F217-M233 HydrophobicContact CD1-CE 4.13Å; F217-M233 HydrophobicContact CD2-CE 3.56Å; F217-M233 HydrophobicContact CD2-CG 4.16Å; F217-M233 HydrophobicContact CD2-SD 3.99Å; F217-M233 HydrophobicContact CE1-CE 4.32Å; F217-M233 HydrophobicContact CE2-CB 4.47Å; F217-M233 HydrophobicContact CE2-CE 3.81Å; F217-M233 HydrophobicContact CE2-CG 3.55Å; F217-M233 HydrophobicContact CE2-SD 4.01Å; F217-M233 HydrophobicContact CG-CE 3.74Å; F217-M233 HydrophobicContact CZ-CB 4.44Å; F217-M233 HydrophobicContact CZ-CE 4.18Å; F217-M233 HydrophobicContact CZ-CG 3.97Å; S231-M233 PolarHBondContact O-N 3.04Å; S231-M233 PolarHBondContact OG-N 3.28Å; M233-S235 VanDerWaalsContact C-N 3.33Å; M233-S235 PolarHBondContact O-N 3.14Å; M233-F238 VanDerWaalsContact O-CB 3.25Å; M233-F238 WeakPolarHBondContact O-CB 3.37Å; M233-F238 HydrophobicContact SD-CD1 4.01Å; M233-M239 HydrophobicContact CE-CE 4.48Å; M233-M239 HydrophobicContact CE-CG 4.24Å; M233-M239 WeakPolarHBondContact O-CB 3.16Å; M233-M239 PolarHBondContact O-N 2.98Å; M233-L338 HydrophobicContact CE-CD2 4.39Å
234	W	97.7	Very high	96.8	Very high	21 Å²	21	30.4 Å²	30.4	8%	0.08	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-99.4	31.1	-176.4	-49.4	109.7	0	0	0	112.7	F217 S231 I232 M239 G240 V266 W319 I320 V335	F217-W234 HydrophobicContact CE1-CZ2 4.29Å; S231-W234 PolarHBondContact O-N 2.93Å; I232-W234 PolarHBondContact O-N 3.26Å; W234-M239 HydrophobicContact CE3-CB 4.19Å; W234-M239 HydrophobicContact CZ3-CB 4.16Å; W234-G240 CarbonylContact C-O 3.59Å; W234-G240 VanDerWaalsContact C-O 3.31Å; W234-G240 WeakPolarHBondContact CA-O 3.08Å; W234-V266 HydrophobicContact CD2-CB 4.37Å; W234-V266 HydrophobicContact CD2-CG1 3.85Å; W234-V266 HydrophobicContact CD2-CG2 3.76Å; W234-V266 VanDerWaalsContact CE2-CG1 3.42Å; W234-V266 HydrophobicContact CE3-CG2 3.7Å; W234-V266 HydrophobicContact CG-CG1 4.08Å; W234-V266 HydrophobicContact CH2-CG2 3.83Å; W234-V266 HydrophobicContact CZ2-CG1 3.88Å; W234-V266 HydrophobicContact CZ2-CG2 3.92Å; W234-V266 HydrophobicContact CZ3-CG2 3.73Å; W234-W319 AromaticContact CZ2-CZ3 3.74Å; W234-W319 HydrophobicContact CZ2-CZ3 3.74Å; W234-W319 AromaticContact NE1-CH2 3.73Å; W234-W319 AromaticContact NE1-CZ3 3.8Å; W234-I320 HydrophobicContact CH2-CD1 4.34Å; W234-I320 HydrophobicContact CH2-CG1 3.89Å; W234-I320 HydrophobicContact CH2-CG2 3.98Å; W234-I320 HydrophobicContact CZ2-CG1 4.16Å; W234-I320 HydrophobicContact CZ3-CG2 4.48Å; W234-V335 HydrophobicContact CH2-CG1 4.39Å; W234-V335 HydrophobicContact CH2-CG2 4.18Å; W234-V335 HydrophobicContact CZ3-CG2 4.11Å
235	S	97.4	Very high	97	Very high	17 Å²	17	32.4 Å²	32.4	12%	0.119	17%	0.173	C	C	.	.	S	Bend	trans	-102.2	166.7	176.4	70.9	0	0	0	0	112.3	I232 M233 E237 F238 M239 G240	I232-S235 VanDerWaalsContact O-CB 3.27Å; I232-S235 WeakPolarHBondContact O-CB 3.25Å; I232-S235 PolarHBondContact O-N 2.96Å; I232-S235 PolarHBondContact O-OG 3.24Å; M233-S235 VanDerWaalsContact C-N 3.33Å; M233-S235 PolarHBondContact O-N 3.14Å; S235-E237 PolarHBondContact O-N 2.62Å; S235-F238 PolarHBondContact O-N 3.4Å; S235-F238 VanDerWaalsContact O-N 3.09Å; S235-M239 PolarHBondContact O-N 2.89Å; S235-G240 WeakPolarHBondContact O-CA 3.34Å; S235-G240 PolarHBondContact O-N 2.89Å
236	E	96.9	Very high	97	Very high	133 Å²	133	32.1 Å²	32.1	62%	0.621	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-26.9	176.5	-47.1	-168.9	149.1	0	0	112.8	F238 T248 G249	E236-F238 PolarHBondContact O-N 2.94Å; E236-T248 HydrophobicContact CG-CG2 4.42Å; E236-T248 WeakPolarHBondContact OE1-CG2 3.36Å; E236-G249 WeakPolarHBondContact O-CA 2.95Å
237	E	95.9	Very high	97.2	Very high	72 Å²	72	33.4 Å²	33.4	34%	0.336	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-15	177.2	-65.6	177.8	179	0	0	112.6	S235 Y420 Y450 K451	S235-E237 PolarHBondContact O-N 2.62Å; E237-Y420 WeakPolarHBondContact OE2-CE1 3.35Å; E237-Y450 PolarHBondContact OE1-OH 2.83Å; E237-Y450 WeakPolarHBondContact OE2-CE1 3.5Å; E237-Y450 PolarHBondContact OE2-OH 3.16Å; E237-K451 IonicContact OE1-NZ 2.96Å; E237-K451 PolarHBondContact OE1-NZ 3.43Å
238	F	98.2	Very high	97.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-105.5	-172.6	-76.9	-107.5	0	0	0	111.8	Y141 R142 I232 M233 S235 E236 P250 Y420	Y141-F238 AromaticContact CD1-CD1 3.53Å; Y141-F238 HydrophobicContact CD1-CD1 3.53Å; Y141-F238 AromaticContact CD1-CE1 3.94Å; Y141-F238 HydrophobicContact CD1-CE1 3.94Å; Y141-F238 HydrophobicContact CE1-CB 4.24Å; Y141-F238 AromaticContact CE1-CD1 3.39Å; Y141-F238 HydrophobicContact CE1-CD1 3.39Å; Y141-F238 HydrophobicContact CE1-CE1 4.12Å; Y141-F238 HydrophobicContact CE1-CG 4.21Å; R142-F238 HydrophobicContact CB-CE1 4.16Å; R142-F238 HydrophobicContact CB-CZ 4.47Å; R142-F238 HydrophobicContact CG-CD1 4.18Å; R142-F238 HydrophobicContact CG-CE1 3.39Å; R142-F238 HydrophobicContact CG-CZ 3.92Å; I232-F238 HydrophobicContact CG1-CD2 4.1Å; I232-F238 HydrophobicContact CG1-CE2 3.9Å; M233-F238 VanDerWaalsContact O-CB 3.25Å; M233-F238 WeakPolarHBondContact O-CB 3.37Å; M233-F238 HydrophobicContact SD-CD1 4.01Å; S235-F238 PolarHBondContact O-N 3.4Å; S235-F238 VanDerWaalsContact O-N 3.09Å; E236-F238 PolarHBondContact O-N 2.94Å; F238-P250 WeakPolarHBondContact O-CD 3.38Å; F238-P250 WeakPolarHBondContact O-CG 2.98Å; F238-Y420 AromaticContact CE2-CD1 3.59Å; F238-Y420 HydrophobicContact CE2-CD1 3.59Å; F238-Y420 AromaticContact CE2-CE1 3.64Å; F238-Y420 HydrophobicContact CE2-CE1 3.64Å; F238-Y420 HydrophobicContact CE2-CG 4.08Å; F238-Y420 AromaticContact CZ-CD1 3.7Å; F238-Y420 HydrophobicContact CZ-CD1 3.7Å; F238-Y420 HydrophobicContact CZ-CD2 4Å; F238-Y420 AromaticContact CZ-CE1 3.98Å; F238-Y420 HydrophobicContact CZ-CE1 3.98Å; F238-Y420 HydrophobicContact CZ-CE2 4.34Å; F238-Y420 AromaticContact CZ-CG 3.67Å; F238-Y420 HydrophobicContact CZ-CG 3.67Å
239	M	98	Very high	97.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-8.5	-173.4	-64.2	-58.7	-173.6	0	0	113.4	Y141 M233 W234 S235 F251 R264 V335 L338	Y141-M239 HydrophobicContact CD1-CE 4.11Å; Y141-M239 HydrophobicContact CE1-CE 3.48Å; Y141-M239 VanDerWaalsContact CE1-CE 3.48Å; Y141-M239 HydrophobicContact CE1-CG 4.44Å; Y141-M239 HydrophobicContact CE1-SD 4.23Å; M233-M239 HydrophobicContact CE-CE 4.48Å; M233-M239 HydrophobicContact CE-CG 4.24Å; M233-M239 WeakPolarHBondContact O-CB 3.16Å; M233-M239 PolarHBondContact O-N 2.98Å; W234-M239 HydrophobicContact CE3-CB 4.19Å; W234-M239 HydrophobicContact CZ3-CB 4.16Å; S235-M239 PolarHBondContact O-N 2.89Å; M239-F251 HydrophobicContact SD-CD2 4.19Å; M239-F251 HydrophobicContact SD-CE2 3.65Å; M239-R264 PolarHBondContact O-NH1 2.75Å; M239-R264 PolarHBondContact O-NH2 3.45Å; M239-V335 HydrophobicContact CB-CG2 4.13Å; M239-V335 HydrophobicContact CE-CG2 4.1Å; M239-V335 HydrophobicContact CG-CG2 3.69Å; M239-V335 HydrophobicContact SD-CG2 3.83Å; M239-L338 HydrophobicContact CE-CD1 3.67Å; M239-L338 HydrophobicContact CE-CD2 3.18Å; M239-L338 HydrophobicContact CE-CG 4Å
240	G	98	Very high	97.4	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.			trans	84.9	-178.6	-170	0	0	0	0	0	112.4	W234 S235 T248	W234-G240 CarbonylContact C-O 3.59Å; W234-G240 VanDerWaalsContact C-O 3.31Å; W234-G240 WeakPolarHBondContact CA-O 3.08Å; S235-G240 WeakPolarHBondContact O-CA 3.34Å; S235-G240 PolarHBondContact O-N 2.89Å; G240-T248 WeakPolarHBondContact CA-O 3.36Å
241	N	97.1	Very high	97.4	Very high	21 Å²	21	29.6 Å²	29.6	11%	0.112	17%	0.17	C	C	.	.			trans	-59.6	143.8	-177.4	67.2	-71.6	0	0	0	112.6	N243 D245 V246 V247 T248	N241-N243 WeakPolarHBondContact CB-OD1 2.96Å; N241-N243 PolarHBondContact ND2-OD1 2.88Å; N241-N243 VanDerWaalsContact ND2-OD1 3.15Å; N241-D245 PolarHBondContact ND2-O 2.71Å; N241-V246 WeakPolarHBondContact OD1-CA 3.45Å; N241-V247 PolarHBondContact OD1-N 3.35Å; N241-T248 PolarHBondContact N-OG1 2.86Å; N241-T248 PolarHBondContact OD1-N 2.86Å; N241-T248 VanDerWaalsContact OD1-N 3.11Å; N241-T248 PolarHBondContact OD1-OG1 3.42Å
242	G	95.4	Very high	97.4	Very high	9 Å²	9	31 Å²	31	9%	0.093	18%	0.182	C	C	.	.	S	Bend	trans	-106.3	16.9	-176.7	0	0	0	0	0	115.1	R264 V266	G242-R264 CarbonylContact O-C 3.54Å; G242-V266 WeakPolarHBondContact O-CB 3.44Å; G242-V266 WeakPolarHBondContact O-CG2 3.47Å; G242-V266 PolarHBondContact O-N 2.89Å
243	N	95	Very high	97.4	Very high	90 Å²	90	35.5 Å²	35.5	48%	0.481	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	45.2	-163.5	67.3	-30.4	0	0	0	114.1	N241 R268	N241-N243 WeakPolarHBondContact CB-OD1 2.96Å; N241-N243 PolarHBondContact ND2-OD1 2.88Å; N241-N243 VanDerWaalsContact ND2-OD1 3.15Å; N243-R268 VanDerWaalsContact CB-NE 3.34Å
244	G	95.1	Very high	97.4	Very high	20 Å²	20	36.4 Å²	36.4	21%	0.206	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	131.9	-147.7	-178.5	0	0	0	0	0	110.3	V246 N263 R264	G244-V246 PolarHBondContact O-N 2.94Å; G244-N263 CarbonylContact O-C 3.5Å; G244-N263 WeakPolarHBondContact O-CA 3.3Å; G244-R264 WeakPolarHBondContact CA-O 3.4Å; G244-R264 PolarHBondContact N-O 3.43Å; G244-R264 PolarHBondContact O-N 3.38Å
245	D	98.3	Very high	97.4	Very high	72 Å²	72	39.9 Å²	39.9	39%	0.385	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	133.4	175.3	-65.9	-2.6	0	0	0	109.7	N241 V247 K261 L262 N263	N241-D245 PolarHBondContact ND2-O 2.71Å; D245-V247 HydrophobicContact CB-CG1 4.39Å; D245-V247 PolarHBondContact O-N 3.36Å; D245-V247 VanDerWaalsContact O-N 3.15Å; D245-K261 HydrophobicContact CB-CB 4.28Å; D245-K261 HydrophobicContact CB-CD 4.3Å; D245-L262 CarbonylContact C-O 3.58Å; D245-L262 WeakPolarHBondContact CA-O 3.07Å; D245-N263 PolarHBondContact N-ND2 2.96Å; D245-N263 PolarHBondContact OD1-ND2 3.37Å
246	V	98.3	Very high	97.3	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	22%	0.224	C	C	.	.			trans	-76.2	105.1	179.8	-176.5	0	0	0	0	108.1	N241 G244 N253 L262 R264	N241-V246 WeakPolarHBondContact OD1-CA 3.45Å; G244-V246 PolarHBondContact O-N 2.94Å; V246-N253 PolarHBondContact O-N 3.24Å; V246-L262 HydrophobicContact CB-CB 4.41Å; V246-L262 HydrophobicContact CB-CD2 4.19Å; V246-L262 HydrophobicContact CB-CG 4.23Å; V246-L262 HydrophobicContact CG1-CD2 4.48Å; V246-L262 HydrophobicContact CG2-CB 4.39Å; V246-L262 HydrophobicContact CG2-CD2 4Å; V246-L262 HydrophobicContact CG2-CG 3.8Å; V246-L262 PolarHBondContact N-O 2.83Å; V246-R264 HydrophobicContact CG2-CG 4.07Å
247	V	98.2	Very high	97.2	Very high	77 Å²	77	35.1 Å²	35.1	47%	0.467	21%	0.207	S	C	.	.			trans	-117.4	-4.2	-177.4	-63.9	0	0	0	0	112.5	N241 D245 A252	N241-V247 PolarHBondContact OD1-N 3.35Å; D245-V247 HydrophobicContact CB-CG1 4.39Å; D245-V247 PolarHBondContact O-N 3.36Å; D245-V247 VanDerWaalsContact O-N 3.15Å; V247-A252 WeakPolarHBondContact O-CB 3.13Å
248	T	98.1	Very high	96.9	Very high	34 Å²	34	33.7 Å²	33.7	21%	0.209	20%	0.202	C	C	.	.	S	Bend	trans	-122.7	163.5	174.6	71.5	0	0	0	0	112.1	E236 G240 N241	E236-T248 HydrophobicContact CG-CG2 4.42Å; E236-T248 WeakPolarHBondContact OE1-CG2 3.36Å; G240-T248 WeakPolarHBondContact CA-O 3.36Å; N241-T248 PolarHBondContact N-OG1 2.86Å; N241-T248 PolarHBondContact OD1-N 2.86Å; N241-T248 VanDerWaalsContact OD1-N 3.11Å; N241-T248 PolarHBondContact OD1-OG1 3.42Å
249	G	98	Very high	96.6	Very high	25 Å²	25	36.5 Å²	36.5	26%	0.258	23%	0.23	S	C	.	.	S	Bend	trans	76.3	-173.3	178.3	0	0	0	0	0	115.2	E236 F251 A252	E236-G249 WeakPolarHBondContact O-CA 2.95Å; G249-F251 PolarHBondContact O-N 3.14Å; G249-F251 VanDerWaalsContact O-N 3.14Å; G249-A252 WeakPolarHBondContact O-CB 3.47Å; G249-A252 PolarHBondContact O-N 3.36Å
250	P	98	Very high	96.5	Very high	28 Å²	28	43 Å²	43	18%	0.182	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-17.4	-168	27.4	-37.2	0	0	0	114.1	H153 N157 F238	H153-P250 HydrophobicContact CB-CB 3.87Å; N157-P250 PolarHBondContact ND2-O 3.41Å; N157-P250 PolarHBondContact OD1-O 3.01Å; F238-P250 WeakPolarHBondContact O-CD 3.38Å; F238-P250 WeakPolarHBondContact O-CG 2.98Å
251	F	98.1	Very high	96.4	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	20.2	-177.4	-46.1	-57.2	0	0	0	112.2	H153 I156 M239 G249 W254 L262 P334	H153-F251 AromaticContact CD2-CZ 3.92Å; I156-F251 HydrophobicContact CB-CE1 4.08Å; I156-F251 HydrophobicContact CD1-CZ 4.43Å; I156-F251 HydrophobicContact CG2-CD1 4.24Å; I156-F251 HydrophobicContact CG2-CE1 3.56Å; I156-F251 HydrophobicContact CG2-CZ 4.26Å; M239-F251 HydrophobicContact SD-CD2 4.19Å; M239-F251 HydrophobicContact SD-CE2 3.65Å; G249-F251 PolarHBondContact O-N 3.14Å; G249-F251 VanDerWaalsContact O-N 3.14Å; F251-W254 HydrophobicContact CB-CD2 4.12Å; F251-W254 HydrophobicContact CB-CG 4.34Å; F251-W254 AromaticContact CD1-CE2 3.84Å; F251-W254 HydrophobicContact CD1-CH2 4.09Å; F251-W254 AromaticContact CD1-CZ2 3.54Å; F251-W254 HydrophobicContact CD1-CZ2 3.54Å; F251-W254 HydrophobicContact CE1-CZ2 4.19Å; F251-W254 HydrophobicContact CG-CZ2 4.38Å; F251-W254 PolarHBondContact O-N 2.68Å; F251-L262 HydrophobicContact CB-CD2 4.34Å; F251-P334 HydrophobicContact CB-CG 4.35Å; F251-P334 HydrophobicContact CD1-CB 4.49Å; F251-P334 HydrophobicContact CD1-CG 3.84Å; F251-P334 HydrophobicContact CD2-CB 3.94Å; F251-P334 HydrophobicContact CD2-CG 3.77Å; F251-P334 HydrophobicContact CE1-CB 4.25Å; F251-P334 HydrophobicContact CE1-CG 4.03Å; F251-P334 HydrophobicContact CE2-CB 3.66Å; F251-P334 HydrophobicContact CE2-CG 3.96Å; F251-P334 HydrophobicContact CG-CB 4.35Å; F251-P334 HydrophobicContact CG-CG 3.7Å; F251-P334 HydrophobicContact CZ-CB 3.83Å; F251-P334 HydrophobicContact CZ-CG 4.08Å
252	A	98	Very high	96.4	Very high	30 Å²	30	46 Å²	46	25%	0.248	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	139.3	177.8	0	0	0	0	0	111.8	V247 G249 W254	V247-A252 WeakPolarHBondContact O-CB 3.13Å; G249-A252 WeakPolarHBondContact O-CB 3.47Å; G249-A252 PolarHBondContact O-N 3.36Å; A252-W254 PolarHBondContact O-N 3.35Å
253	N	97.2	Very high	96.5	Very high	95 Å²	95	47.9 Å²	47.9	51%	0.508	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	20	175.6	-52.7	-67.1	0	0	0	115.2	V246 M255	V246-N253 PolarHBondContact O-N 3.24Å; N253-M255 PolarHBondContact O-N 3.16Å
254	W	97.8	Very high	96.5	Very high	20 Å²	20	43.6 Å²	43.6	8%	0.076	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-58.7	137	168.1	-84.5	27	0	0	0	111.1	I156 N157 K160 Y169 F251 A252 K261 L262 P334	I156-W254 HydrophobicContact CG2-CH2 3.42Å; I156-W254 VanDerWaalsContact CG2-CH2 3.42Å; I156-W254 HydrophobicContact CG2-CZ2 3.72Å; N157-W254 WeakPolarHBondContact OD1-CZ2 3.07Å; N157-W254 PolarHBondContact OD1-NE1 3.24Å; K160-W254 HydrophobicContact CB-CH2 3.79Å; K160-W254 HydrophobicContact CB-CZ2 3.58Å; K160-W254 HydrophobicContact CB-CZ3 4.49Å; K160-W254 HydrophobicContact CD-CD2 4.49Å; K160-W254 HydrophobicContact CD-CE3 4.31Å; K160-W254 HydrophobicContact CD-CH2 4.37Å; K160-W254 HydrophobicContact CD-CZ3 4.24Å; K160-W254 HydrophobicContact CG-CD2 4Å; K160-W254 HydrophobicContact CG-CE3 4.24Å; K160-W254 HydrophobicContact CG-CH2 3.92Å; K160-W254 HydrophobicContact CG-CZ2 3.7Å; K160-W254 HydrophobicContact CG-CZ3 4.19Å; Y169-W254 HydrophobicContact CD1-CZ3 4.49Å; Y169-W254 HydrophobicContact CD2-CH2 4.2Å; Y169-W254 HydrophobicContact CE1-CZ3 4.02Å; Y169-W254 AromaticContact CE2-CH2 3.9Å; Y169-W254 HydrophobicContact CE2-CH2 3.9Å; Y169-W254 HydrophobicContact CE2-CZ3 4.04Å; Y169-W254 AromaticContact CZ-CZ3 3.77Å; F251-W254 HydrophobicContact CB-CD2 4.12Å; F251-W254 HydrophobicContact CB-CG 4.34Å; F251-W254 AromaticContact CD1-CE2 3.84Å; F251-W254 HydrophobicContact CD1-CH2 4.09Å; F251-W254 AromaticContact CD1-CZ2 3.54Å; F251-W254 HydrophobicContact CD1-CZ2 3.54Å; F251-W254 HydrophobicContact CE1-CZ2 4.19Å; F251-W254 HydrophobicContact CG-CZ2 4.38Å; F251-W254 PolarHBondContact O-N 2.68Å; A252-W254 PolarHBondContact O-N 3.35Å; W254-K261 CarbonylContact O-C 3.49Å; W254-K261 WeakPolarHBondContact O-CA 3.47Å; W254-L262 HydrophobicContact CB-CB 3.98Å; W254-L262 HydrophobicContact CB-CD2 4.39Å; W254-L262 HydrophobicContact CE3-CD2 4.49Å; W254-L262 PolarHBondContact O-N 3.23Å; W254-P334 HydrophobicContact CE3-CG 4.05Å; W254-P334 HydrophobicContact CH2-CG 3.54Å; W254-P334 HydrophobicContact CZ2-CG 4.34Å; W254-P334 HydrophobicContact CZ3-CG 3.35Å
255	M	97.5	Very high	96.4	Very high	93 Å²	93	44 Å²	44	46%	0.458	26%	0.257	S	S	.	.	B	Isolated β-bridge	trans	-95.4	124.1	166	-68.9	-57.8	-57.2	0	0	108.8	K160 N253 G259 K260 K261	K160-M255 WeakPolarHBondContact CE-O 3.17Å; K160-M255 PolarHBondContact NZ-O 3.31Å; N253-M255 PolarHBondContact O-N 3.16Å; M255-G259 VanDerWaalsContact CE-C 3.47Å; M255-G259 WeakPolarHBondContact CE-O 3.38Å; M255-K260 VanDerWaalsContact CE-C 3.43Å; M255-K260 WeakPolarHBondContact CE-O 3.49Å; M255-K261 HydrophobicContact SD-CG 3.74Å
256	A	95.8	Very high	96.1	Very high	7 Å²	7	40.7 Å²	40.7	6%	0.058	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-79	161.5	173.7	0	0	0	0	0	110.9	D258 G259 K260 Q323 N332	A256-D258 VanDerWaalsContact CB-OD1 3.24Å; A256-D258 WeakPolarHBondContact CB-OD1 3.31Å; A256-D258 PolarHBondContact O-N 3.02Å; A256-G259 PolarHBondContact O-N 2.89Å; A256-K260 PolarHBondContact N-O 3.09Å; A256-Q323 HydrophobicContact CB-CG 4.29Å; A256-N332 VanDerWaalsContact CA-OD1 3.23Å; A256-N332 WeakPolarHBondContact CA-OD1 3.44Å; A256-N332 HydrophobicContact CB-CB 3.78Å; A256-N332 WeakPolarHBondContact CB-OD1 3.2Å
257	T	94.4	Very high	95.7	Very high	43 Å²	43	41.9 Å²	41.9	26%	0.264	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-17	179.7	58.9	0	0	0	0	113.5	D170 V173 G259 N332	D170-T257 HydrophobicContact CB-CG2 3.84Å; V173-T257 HydrophobicContact CB-CG2 4.01Å; V173-T257 HydrophobicContact CG1-CG2 3.99Å; V173-T257 WeakPolarHBondContact CG1-OG1 3.35Å; V173-T257 HydrophobicContact CG2-CG2 4.36Å; T257-G259 PolarHBondContact O-N 3.15Å; T257-N332 PolarHBondContact N-OD1 3.33Å; T257-N332 PolarHBondContact OG1-ND2 3.21Å; T257-N332 VanDerWaalsContact OG1-ND2 3.08Å; T257-N332 PolarHBondContact OG1-OD1 2.99Å
258	D	89.7	Confident	95.2	Very high	43 Å²	43	43.2 Å²	43.2	23%	0.23	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	5.4	171.2	76.8	-22	0	0	0	113.7	A256 K260 Y329	A256-D258 VanDerWaalsContact CB-OD1 3.24Å; A256-D258 WeakPolarHBondContact CB-OD1 3.31Å; A256-D258 PolarHBondContact O-N 3.02Å; D258-K260 VanDerWaalsContact C-N 3.28Å; D258-K260 PolarHBondContact O-N 3.2Å; D258-K260 WeakPolarHBondContact OD1-CB 2.89Å; D258-K260 PolarHBondContact OD1-N 3.29Å; D258-K260 VanDerWaalsContact OD1-N 3.15Å; D258-Y329 HydrophobicContact CB-CD1 4.05Å; D258-Y329 HydrophobicContact CB-CD2 4.19Å; D258-Y329 HydrophobicContact CB-CE1 3.96Å; D258-Y329 HydrophobicContact CB-CE2 4.12Å; D258-Y329 HydrophobicContact CB-CG 4.17Å
259	G	93.5	Very high	94.2	Very high	58 Å²	58	44.9 Å²	44.9	60%	0.598	26%	0.261	S	S	*	.	S	Bend	trans	77.4	9.4	178.2	0	0	0	0	0	114.3	M255 A256 T257	M255-G259 VanDerWaalsContact CE-C 3.47Å; M255-G259 WeakPolarHBondContact CE-O 3.38Å; A256-G259 PolarHBondContact O-N 2.89Å; T257-G259 PolarHBondContact O-N 3.15Å
260	K	94.1	Very high	93	Very high	136 Å²	136	45.7 Å²	45.7	59%	0.591	27%	0.27	S	S	*	.	S	Bend	trans	-109.6	164.3	178	-61.3	176.5	-170.7	159.8	0	111	M255 A256 D258	M255-K260 VanDerWaalsContact CE-C 3.43Å; M255-K260 WeakPolarHBondContact CE-O 3.49Å; A256-K260 PolarHBondContact N-O 3.09Å; D258-K260 VanDerWaalsContact C-N 3.28Å; D258-K260 PolarHBondContact O-N 3.2Å; D258-K260 WeakPolarHBondContact OD1-CB 2.89Å; D258-K260 PolarHBondContact OD1-N 3.29Å; D258-K260 VanDerWaalsContact OD1-N 3.15Å
261	K	97.3	Very high	91.7	Very high	85 Å²	85	44.9 Å²	44.9	37%	0.37	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-65	147.2	168.9	-70.1	-176.3	176.8	-173	0	109.8	D245 W254 M255 N263 Q323	D245-K261 HydrophobicContact CB-CB 4.28Å; D245-K261 HydrophobicContact CB-CD 4.3Å; W254-K261 CarbonylContact O-C 3.49Å; W254-K261 WeakPolarHBondContact O-CA 3.47Å; M255-K261 HydrophobicContact SD-CG 3.74Å; K261-N263 PolarHBondContact O-N 3.02Å; K261-Q323 PolarHBondContact O-NE2 2.77Å
262	L	97.6	Very high	90.7	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	27%	0.271	C	S	.	.			trans	-53.8	126.8	168	178.9	63.4	0	0	0	108.7	D245 V246 F251 W254 D333	D245-L262 CarbonylContact C-O 3.58Å; D245-L262 WeakPolarHBondContact CA-O 3.07Å; V246-L262 HydrophobicContact CB-CB 4.41Å; V246-L262 HydrophobicContact CB-CD2 4.19Å; V246-L262 HydrophobicContact CB-CG 4.23Å; V246-L262 HydrophobicContact CG1-CD2 4.48Å; V246-L262 HydrophobicContact CG2-CB 4.39Å; V246-L262 HydrophobicContact CG2-CD2 4Å; V246-L262 HydrophobicContact CG2-CG 3.8Å; V246-L262 PolarHBondContact N-O 2.83Å; F251-L262 HydrophobicContact CB-CD2 4.34Å; W254-L262 HydrophobicContact CB-CB 3.98Å; W254-L262 HydrophobicContact CB-CD2 4.39Å; W254-L262 HydrophobicContact CE3-CD2 4.49Å; W254-L262 PolarHBondContact O-N 3.23Å; L262-D333 HydrophobicContact CD1-CB 3.78Å
263	N	96	Very high	90	Very high	47 Å²	47	46.6 Å²	46.6	25%	0.251	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	147.2	-171.4	-175.3	-80.9	0	0	0	110.3	G244 D245 K261 G322 Q323	G244-N263 CarbonylContact O-C 3.5Å; G244-N263 WeakPolarHBondContact O-CA 3.3Å; D245-N263 PolarHBondContact N-ND2 2.96Å; D245-N263 PolarHBondContact OD1-ND2 3.37Å; K261-N263 PolarHBondContact O-N 3.02Å; N263-G322 WeakPolarHBondContact O-CA 3.31Å; N263-Q323 PolarHBondContact O-OE1 2.99Å
264	R	94.8	Very high	89.6	Confident	1 Å²	1	42.3 Å²	42.3	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	155.5	176.5	-59.5	-175.4	-176.1	120.5	-2.8	112	M239 G242 G244 V246 V266 I320 D333	M239-R264 PolarHBondContact O-NH1 2.75Å; M239-R264 PolarHBondContact O-NH2 3.45Å; G242-R264 CarbonylContact O-C 3.54Å; G244-R264 WeakPolarHBondContact CA-O 3.4Å; G244-R264 PolarHBondContact N-O 3.43Å; G244-R264 PolarHBondContact O-N 3.38Å; V246-R264 HydrophobicContact CG2-CG 4.07Å; R264-V266 HydrophobicContact CB-CG2 4.07Å; R264-I320 HydrophobicContact CG-CG2 4.3Å; R264-D333 IonicContact CZ-OD1 3.83Å; R264-D333 IonicContact CZ-OD2 3.61Å; R264-D333 IonicContact NE-OD1 3.02Å; R264-D333 PolarHBondContact NE-OD1 3.37Å; R264-D333 IonicContact NE-OD2 2.68Å; R264-D333 PolarHBondContact NE-OD2 2.94Å; R264-D333 IonicContact NH2-OD1 3.72Å; R264-D333 PolarHBondContact NH2-OD1 2.9Å; R264-D333 IonicContact NH2-OD2 3.67Å
265	A	93.5	Very high	89.1	Confident	28 Å²	28	41.4 Å²	41.4	23%	0.231	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	52.3	174.3	0	0	0	0	0	111.1	G267 R268 I320	A265-G267 PolarHBondContact O-N 3.37Å; A265-G267 VanDerWaalsContact O-N 3.12Å; A265-R268 HydrophobicContact CB-CB 4.43Å; A265-R268 PolarHBondContact O-N 2.84Å; A265-I320 CarbonylContact C-O 3.39Å; A265-I320 PolarHBondContact N-O 2.82Å
266	V	93.2	Very high	88.6	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.012	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	111.1	-169.3	176.5	0	0	0	0	111.5	R229 W234 G242 R264 R268 W319 I320	R229-V266 HydrophobicContact CB-CG1 3.86Å; R229-V266 WeakPolarHBondContact CB-O 3.47Å; W234-V266 HydrophobicContact CD2-CB 4.37Å; W234-V266 HydrophobicContact CD2-CG1 3.85Å; W234-V266 HydrophobicContact CD2-CG2 3.76Å; W234-V266 VanDerWaalsContact CE2-CG1 3.42Å; W234-V266 HydrophobicContact CE3-CG2 3.7Å; W234-V266 HydrophobicContact CG-CG1 4.08Å; W234-V266 HydrophobicContact CH2-CG2 3.83Å; W234-V266 HydrophobicContact CZ2-CG1 3.88Å; W234-V266 HydrophobicContact CZ2-CG2 3.92Å; W234-V266 HydrophobicContact CZ3-CG2 3.73Å; G242-V266 WeakPolarHBondContact O-CB 3.44Å; G242-V266 WeakPolarHBondContact O-CG2 3.47Å; G242-V266 PolarHBondContact O-N 2.89Å; R264-V266 HydrophobicContact CB-CG2 4.07Å; V266-R268 WeakPolarHBondContact O-CG 3.44Å; V266-R268 PolarHBondContact O-N 3.33Å; V266-R268 VanDerWaalsContact O-N 3.07Å; V266-W319 CarbonylContact C-O 3.13Å; V266-W319 WeakPolarHBondContact CA-O 3.47Å; V266-W319 HydrophobicContact CG1-CE3 4.09Å; V266-W319 HydrophobicContact CG1-CH2 3.29Å; V266-W319 HydrophobicContact CG1-CZ2 3.96Å; V266-W319 HydrophobicContact CG1-CZ3 3.38Å; V266-I320 WeakPolarHBondContact CA-O 3.43Å; V266-I320 HydrophobicContact CG2-CG2 4.33Å; V266-I320 PolarHBondContact N-O 3.38Å
267	G	88.5	Confident	88.1	Confident	26 Å²	26	45.1 Å²	45.1	27%	0.268	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	17.5	-178.8	0	0	0	0	0	114.1	A265 W319	A265-G267 PolarHBondContact O-N 3.37Å; A265-G267 VanDerWaalsContact O-N 3.12Å; G267-W319 PolarHBondContact N-O 3.45Å
268	R	87.7	Confident	87.6	Confident	105 Å²	105	46.6 Å²	46.6	40%	0.396	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-27.6	-174.5	-73.2	170.5	-176.3	-91.3	-0.7	113.4	N243 A265 V266 G270	N243-R268 VanDerWaalsContact CB-NE 3.34Å; A265-R268 HydrophobicContact CB-CB 4.43Å; A265-R268 PolarHBondContact O-N 2.84Å; V266-R268 WeakPolarHBondContact O-CG 3.44Å; V266-R268 PolarHBondContact O-N 3.33Å; V266-R268 VanDerWaalsContact O-N 3.07Å; R268-G270 PolarHBondContact O-N 3.04Å
269	S	76.8	Confident	87.3	Confident	69 Å²	69	46 Å²	46	48%	0.483	27%	0.273	S	S	.	.	S	Bend	trans	-65.1	-19.7	176	62.1	0	0	0	0	112.6	A271 T318	S269-A271 PolarHBondContact O-N 2.82Å; S269-A271 PolarHBondContact OG-N 3.2Å; S269-A271 VanDerWaalsContact OG-N 3.09Å; S269-T318 PolarHBondContact OG-O 3.24Å
270	G	73.8	Confident	86.9	Confident	42 Å²	42	44.3 Å²	44.3	43%	0.433	25%	0.25	S	C	.	.	S	Bend	trans	74.5	-2.6	-168.5	0	0	0	0	0	113.2	R268 R307	R268-G270 PolarHBondContact O-N 3.04Å; G270-R307 WeakPolarHBondContact O-CD 3.38Å; G270-R307 WeakPolarHBondContact O-CG 3.32Å; G270-R307 PolarHBondContact O-NE 3.02Å
271	A	70.1	Confident	86.5	Confident	11 Å²	11	42.5 Å²	42.5	9%	0.091	24%	0.243	C	C	.	.			trans	-96.5	161.1	176.6	0	0	0	0	0	111.8	S269 L305 W319	S269-A271 PolarHBondContact O-N 2.82Å; S269-A271 PolarHBondContact OG-N 3.2Å; S269-A271 VanDerWaalsContact OG-N 3.09Å; A271-L305 VanDerWaalsContact CB-O 3.22Å; A271-L305 WeakPolarHBondContact CB-O 3.38Å; A271-W319 WeakPolarHBondContact O-CA 3.42Å
272	G	77	Confident	85.9	Confident	11 Å²	11	42.2 Å²	42.2	11%	0.113	24%	0.24	C	C	.	.			trans	69.1	172.9	179.3	0	0	0	0	0	114.7	S315 T318	G272-S315 CarbonylContact C-O 3.32Å; G272-S315 WeakPolarHBondContact CA-O 3.49Å; G272-T318 WeakPolarHBondContact CA-OG1 3.28Å
273	T	83.6	Confident	85.3	Confident	55 Å²	55	42.2 Å²	42.2	34%	0.337	24%	0.241	S	C	.	.			trans	-148.3	166	177.7	51	0	0	0	0	109.6	S315 V316	T273-S315 PolarHBondContact N-O 2.98Å; T273-S315 VanDerWaalsContact N-O 3.07Å; T273-S315 CarbonylContact O-C 3.4Å; T273-S315 VanDerWaalsContact O-O 3.11Å; T273-S315 PolarHBondContact O-OG 2.74Å; T273-S315 VanDerWaalsContact O-OG 3.08Å; T273-S315 WeakPolarHBondContact OG1-CB 3.4Å; T273-S315 PolarHBondContact OG1-OG 3.27Å; T273-V316 WeakPolarHBondContact O-CA 3.26Å; T273-V316 PolarHBondContact O-N 3.37Å
274	L	88.4	Confident	84.9	Confident	5 Å²	5	40.5 Å²	40.5	3%	0.026	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-88.5	160.6	167.3	-64	-171.5	0	0	0	110.1	T219 D222 D223 P228 R276 V316 W319	T219-L274 HydrophobicContact CG2-CD2 3.81Å; D222-L274 HydrophobicContact CB-CD1 3.57Å; D223-L274 HydrophobicContact CB-CB 4.12Å; P228-L274 HydrophobicContact CB-CD1 3.81Å; L274-R276 PolarHBondContact O-N 3.2Å; L274-V316 HydrophobicContact CD2-CG1 4.47Å; L274-W319 HydrophobicContact CD1-CH2 4.01Å; L274-W319 HydrophobicContact CD1-CZ2 4.09Å; L274-W319 HydrophobicContact CD1-CZ3 4.26Å; L274-W319 HydrophobicContact CD2-CD2 3.52Å; L274-W319 HydrophobicContact CD2-CE3 3.32Å; L274-W319 HydrophobicContact CD2-CG 4.08Å; L274-W319 HydrophobicContact CD2-CH2 4.18Å; L274-W319 HydrophobicContact CD2-CZ2 4.39Å; L274-W319 HydrophobicContact CD2-CZ3 3.63Å; L274-W319 HydrophobicContact CG-CD2 3.98Å; L274-W319 HydrophobicContact CG-CE3 4.17Å; L274-W319 HydrophobicContact CG-CG 4.47Å; L274-W319 HydrophobicContact CG-CH2 4.38Å; L274-W319 HydrophobicContact CG-CZ2 4.25Å; L274-W319 HydrophobicContact CG-CZ3 4.32Å
275	F	87.8	Confident	84.6	Confident	1 Å²	1	44.3 Å²	44.3	0%	0.004	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-63.8	137.6	173.5	-85.4	-112.3	0	0	0	110.3	T219 T220 D279 I280 I283 I312 V316 F342 I343	T219-F275 WeakPolarHBondContact OG1-CB 3.32Å; T219-F275 PolarHBondContact OG1-N 3.37Å; T219-F275 VanDerWaalsContact OG1-N 3.07Å; T220-F275 VanDerWaalsContact CA-O 3.27Å; T220-F275 WeakPolarHBondContact CA-O 3.39Å; T220-F275 HydrophobicContact CG2-CB 3.65Å; T220-F275 WeakPolarHBondContact CG2-O 3.23Å; F275-D279 HydrophobicContact CD1-CB 4.34Å; F275-I280 HydrophobicContact CD1-CD1 3.37Å; F275-I280 HydrophobicContact CD1-CG1 4.18Å; F275-I280 HydrophobicContact CE1-CD1 3.88Å; F275-I280 HydrophobicContact CG-CD1 4.3Å; F275-I283 HydrophobicContact CE1-CD1 3.75Å; F275-I312 HydrophobicContact CD1-CG2 3.24Å; F275-I312 HydrophobicContact CD2-CG2 3.95Å; F275-I312 HydrophobicContact CE1-CB 3.97Å; F275-I312 HydrophobicContact CE1-CG2 3.08Å; F275-I312 HydrophobicContact CE2-CG2 3.76Å; F275-I312 WeakPolarHBondContact CE2-O 3.2Å; F275-I312 HydrophobicContact CG-CG2 3.71Å; F275-I312 HydrophobicContact CZ-CB 3.94Å; F275-I312 HydrophobicContact CZ-CG2 3.34Å; F275-V316 HydrophobicContact CD2-CG2 3.59Å; F275-V316 HydrophobicContact CE2-CG2 3.82Å; F275-F342 HydrophobicContact CB-CE1 4.35Å; F275-F342 HydrophobicContact CD1-CE1 4.18Å; F275-F342 HydrophobicContact CD2-CE1 4.29Å; F275-F342 HydrophobicContact CG-CE1 4.03Å; F275-I343 HydrophobicContact CE1-CD1 4.39Å; F275-I343 HydrophobicContact CE2-CD1 3.76Å; F275-I343 HydrophobicContact CZ-CD1 3.38Å
276	R	87.1	Confident	84.3	Confident	121 Å²	121	44.8 Å²	44.8	46%	0.457	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-101	157.2	166.5	-62	170.6	177.3	167.4	3.2	110.1	D223 L274 S278 D279 I280	D223-R276 WeakPolarHBondContact OD1-CG 3.34Å; D223-R276 IonicContact OD1-NE 2.89Å; L274-R276 PolarHBondContact O-N 3.2Å; R276-S278 WeakPolarHBondContact CB-OG 3.48Å; R276-S278 PolarHBondContact O-N 3.17Å; R276-D279 VanDerWaalsContact CB-OD2 3.31Å; R276-D279 WeakPolarHBondContact CB-OD2 3.37Å; R276-D279 PolarHBondContact N-OD2 2.95Å; R276-D279 WeakPolarHBondContact O-CB 3.43Å; R276-D279 PolarHBondContact O-N 2.8Å; R276-I280 PolarHBondContact O-N 2.98Å
277	P	85.9	Confident	84	Confident	58 Å²	58	48.8 Å²	48.8	38%	0.377	27%	0.274	S	S	.	.	H	α-helix	trans	-54.3	-34.5	170.9	-26.7	35	0	0	0	113.4	D279 I280 Q281 R429	P277-D279 VanDerWaalsContact C-N 3.26Å; P277-D279 PolarHBondContact O-N 3.38Å; P277-I280 PolarHBondContact O-N 2.93Å; P277-Q281 PolarHBondContact O-N 2.74Å; P277-R429 VanDerWaalsContact CG-CZ 3.41Å
278	S	83	Confident	83.9	Confident	74 Å²	74	50.3 Å²	50.3	52%	0.517	28%	0.275	S	S	.	.	H	α-helix	trans	-62.9	-33.2	175	54	0	0	0	0	112.9	R276 Q281 Y282	R276-S278 WeakPolarHBondContact CB-OG 3.48Å; R276-S278 PolarHBondContact O-N 3.17Å; S278-Q281 PolarHBondContact O-N 3.38Å; S278-Y282 WeakPolarHBondContact O-CB 3.34Å; S278-Y282 PolarHBondContact O-N 3.32Å
279	D	84.3	Confident	84	Confident	31 Å²	31	45.3 Å²	45.3	17%	0.166	26%	0.257	C	S	.	.	H	α-helix	trans	-75.4	-38.1	-179.1	-50.7	-29.3	0	0	0	110.3	F275 R276 P277 Y282 I283 I312	F275-D279 HydrophobicContact CD1-CB 4.34Å; R276-D279 VanDerWaalsContact CB-OD2 3.31Å; R276-D279 WeakPolarHBondContact CB-OD2 3.37Å; R276-D279 PolarHBondContact N-OD2 2.95Å; R276-D279 WeakPolarHBondContact O-CB 3.43Å; R276-D279 PolarHBondContact O-N 2.8Å; P277-D279 VanDerWaalsContact C-N 3.26Å; P277-D279 PolarHBondContact O-N 3.38Å; D279-Y282 WeakPolarHBondContact O-CB 3.28Å; D279-Y282 PolarHBondContact O-N 3.34Å; D279-I283 WeakPolarHBondContact O-CD1 3.12Å; D279-I283 WeakPolarHBondContact O-CG1 3.47Å; D279-I283 PolarHBondContact O-N 3.12Å; D279-I283 VanDerWaalsContact O-N 3.16Å; D279-I312 HydrophobicContact CB-CB 4.49Å; D279-I312 HydrophobicContact CB-CD1 3.89Å; D279-I312 HydrophobicContact CB-CG1 4.15Å; D279-I312 HydrophobicContact CB-CG2 3.47Å; D279-I312 VanDerWaalsContact CB-CG2 3.47Å
280	I	84.8	Confident	84.4	Confident	22 Å²	22	42.9 Å²	42.9	11%	0.113	24%	0.241	C	C	.	.	H	α-helix	trans	-60.4	-48.5	170	-56.4	-65.7	0	0	0	109.9	T220 F275 R276 P277 Y282 I283 L284 F342 V346	T220-I280 HydrophobicContact CG2-CD1 4.34Å; T220-I280 HydrophobicContact CG2-CG1 3.87Å; F275-I280 HydrophobicContact CD1-CD1 3.37Å; F275-I280 HydrophobicContact CD1-CG1 4.18Å; F275-I280 HydrophobicContact CE1-CD1 3.88Å; F275-I280 HydrophobicContact CG-CD1 4.3Å; R276-I280 PolarHBondContact O-N 2.98Å; P277-I280 PolarHBondContact O-N 2.93Å; I280-Y282 VanDerWaalsContact C-N 3.31Å; I280-Y282 PolarHBondContact O-N 3.49Å; I280-I283 WeakPolarHBondContact O-CB 3.35Å; I280-I283 PolarHBondContact O-N 3.35Å; I280-I283 VanDerWaalsContact O-N 3.16Å; I280-L284 HydrophobicContact CG2-CD1 4Å; I280-L284 HydrophobicContact CG2-CG 4.28Å; I280-L284 WeakPolarHBondContact O-CG 3.3Å; I280-L284 PolarHBondContact O-N 3.16Å; I280-F342 HydrophobicContact CD1-CE1 3.99Å; I280-F342 HydrophobicContact CD1-CZ 3.84Å; I280-V346 HydrophobicContact CD1-CG1 4.25Å; I280-V346 HydrophobicContact CD1-CG2 3.63Å; I280-V346 HydrophobicContact CG2-CG1 4.42Å
281	Q	86	Confident	84.9	Confident	97 Å²	97	44.1 Å²	44.1	45%	0.453	24%	0.235	S	C	.	.	H	α-helix	trans	-60.8	-41.6	179.2	-169	59.7	49.1	0	0	111.6	P277 S278 I283 L284 D285	P277-Q281 PolarHBondContact O-N 2.74Å; S278-Q281 PolarHBondContact O-N 3.38Å; Q281-I283 VanDerWaalsContact C-N 3.28Å; Q281-I283 PolarHBondContact O-N 3.16Å; Q281-L284 PolarHBondContact O-N 2.98Å; Q281-D285 PolarHBondContact NE2-OD1 3.05Å; Q281-D285 PolarHBondContact NE2-OD2 3.09Å; Q281-D285 WeakPolarHBondContact O-CB 3.08Å; Q281-D285 PolarHBondContact O-N 3.25Å
282	Y	84.6	Confident	85.5	Confident	79 Å²	79	43.7 Å²	43.7	31%	0.31	23%	0.231	S	C	.	.	H	α-helix	trans	-54.4	-44.6	175.3	177.2	-88.2	0	0	0	112.3	S278 D279 I280 D285 R286 D297 F299 I312	S278-Y282 WeakPolarHBondContact O-CB 3.34Å; S278-Y282 PolarHBondContact O-N 3.32Å; D279-Y282 WeakPolarHBondContact O-CB 3.28Å; D279-Y282 PolarHBondContact O-N 3.34Å; I280-Y282 VanDerWaalsContact C-N 3.31Å; I280-Y282 PolarHBondContact O-N 3.49Å; Y282-D285 PolarHBondContact O-N 3Å; Y282-R286 VanDerWaalsContact CE1-CZ 3.46Å; Y282-R286 VanDerWaalsContact CG-NH2 3.32Å; Y282-R286 VanDerWaalsContact O-CZ 3.27Å; Y282-R286 PolarHBondContact O-NE 3.34Å; Y282-R286 PolarHBondContact O-NH2 3.14Å; Y282-R286 PolarHBondContact OH-NH1 3.31Å; Y282-D297 PolarHBondContact OH-OD1 3.27Å; Y282-D297 PolarHBondContact OH-OD2 2.93Å; Y282-F299 HydrophobicContact CD1-CD1 4.34Å; Y282-F299 HydrophobicContact CE1-CB 4.18Å; Y282-F299 AromaticContact CE1-CD1 3.78Å; Y282-F299 HydrophobicContact CE1-CD1 3.78Å; Y282-F299 HydrophobicContact CE1-CG 4.27Å; Y282-I312 HydrophobicContact CD1-CD1 3.9Å; Y282-I312 HydrophobicContact CE1-CD1 4.49Å
283	I	84	Confident	85.5	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-65.6	-49	177.6	-66.7	160.6	0	0	0	110.6	F275 D279 I280 Q281 D285 R286 L292 F300 I312 V346	F275-I283 HydrophobicContact CE1-CD1 3.75Å; D279-I283 WeakPolarHBondContact O-CD1 3.12Å; D279-I283 WeakPolarHBondContact O-CG1 3.47Å; D279-I283 PolarHBondContact O-N 3.12Å; D279-I283 VanDerWaalsContact O-N 3.16Å; I280-I283 WeakPolarHBondContact O-CB 3.35Å; I280-I283 PolarHBondContact O-N 3.35Å; I280-I283 VanDerWaalsContact O-N 3.16Å; Q281-I283 VanDerWaalsContact C-N 3.28Å; Q281-I283 PolarHBondContact O-N 3.16Å; I283-D285 PolarHBondContact O-N 3.26Å; I283-R286 WeakPolarHBondContact O-CG 3.38Å; I283-R286 PolarHBondContact O-N 3.43Å; I283-R286 VanDerWaalsContact O-N 3.15Å; I283-L292 HydrophobicContact CG2-CD2 3.74Å; I283-F300 HydrophobicContact CD1-CD2 4.08Å; I283-F300 HydrophobicContact CD1-CE2 3.72Å; I283-F300 HydrophobicContact CG1-CD2 3.88Å; I283-F300 HydrophobicContact CG1-CE2 3.83Å; I283-F300 HydrophobicContact CG2-CD2 4.42Å; I283-F300 HydrophobicContact CG2-CE2 3.83Å; I283-I312 HydrophobicContact CD1-CD1 3.81Å; I283-I312 HydrophobicContact CG1-CD1 3.82Å; I283-V346 HydrophobicContact CB-CG1 4.28Å; I283-V346 HydrophobicContact CD1-CG1 4.17Å; I283-V346 HydrophobicContact CG2-CG1 3.77Å
284	L	88.3	Confident	84.9	Confident	11 Å²	11	41.4 Å²	41.4	6%	0.058	21%	0.214	C	C	.	.	H	α-helix	trans	-62.7	-27.6	179.9	-62.8	-178.4	0	0	0	112.3	I280 Q281 R286 Q349 L353 R354	I280-L284 HydrophobicContact CG2-CD1 4Å; I280-L284 HydrophobicContact CG2-CG 4.28Å; I280-L284 WeakPolarHBondContact O-CG 3.3Å; I280-L284 PolarHBondContact O-N 3.16Å; Q281-L284 PolarHBondContact O-N 2.98Å; L284-R286 VanDerWaalsContact C-N 3.33Å; L284-R286 PolarHBondContact O-N 3.46Å; L284-Q349 HydrophobicContact CD1-CG 4.35Å; L284-Q349 HydrophobicContact CD2-CB 4.14Å; L284-Q349 HydrophobicContact CD2-CG 3.89Å; L284-L353 HydrophobicContact CD1-CD1 4.15Å; L284-L353 HydrophobicContact CD2-CD1 4.27Å; L284-R354 PolarHBondContact O-NE 2.9Å
285	D	88.3	Confident	84.1	Confident	80 Å²	80	42.5 Å²	42.5	43%	0.428	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-4.9	179.6	-71.9	-18.5	0	0	0	114.2	Q281 Y282 I283 R354	Q281-D285 PolarHBondContact NE2-OD1 3.05Å; Q281-D285 PolarHBondContact NE2-OD2 3.09Å; Q281-D285 WeakPolarHBondContact O-CB 3.08Å; Q281-D285 PolarHBondContact O-N 3.25Å; Y282-D285 PolarHBondContact O-N 3Å; I283-D285 PolarHBondContact O-N 3.26Å; D285-R354 VanDerWaalsContact C-NH2 3.28Å; D285-R354 PolarHBondContact O-NH2 2.93Å
286	R	86.2	Confident	83.1	Confident	38 Å²	38	45.2 Å²	45.2	14%	0.143	24%	0.238	C	C	.	.			trans	-56.6	145.6	175.2	-69.9	-46.9	86.9	153.9	5.2	111.6	Y282 I283 L284 H291 L292 D297 Y350 R354	Y282-R286 VanDerWaalsContact CE1-CZ 3.46Å; Y282-R286 VanDerWaalsContact CG-NH2 3.32Å; Y282-R286 VanDerWaalsContact O-CZ 3.27Å; Y282-R286 PolarHBondContact O-NE 3.34Å; Y282-R286 PolarHBondContact O-NH2 3.14Å; Y282-R286 PolarHBondContact OH-NH1 3.31Å; I283-R286 WeakPolarHBondContact O-CG 3.38Å; I283-R286 PolarHBondContact O-N 3.43Å; I283-R286 VanDerWaalsContact O-N 3.15Å; L284-R286 VanDerWaalsContact C-N 3.33Å; L284-R286 PolarHBondContact O-N 3.46Å; R286-H291 HydrophobicContact CB-CB 4.22Å; R286-H291 WeakPolarHBondContact CD-O 3.43Å; R286-H291 HydrophobicContact CG-CB 4.19Å; R286-L292 HydrophobicContact CB-CD2 4.03Å; R286-L292 HydrophobicContact CB-CG 4.18Å; R286-L292 HydrophobicContact CG-CD2 3.42Å; R286-L292 VanDerWaalsContact CG-CD2 3.42Å; R286-L292 HydrophobicContact CG-CG 3.96Å; R286-D297 IonicContact CZ-OD2 3.26Å; R286-D297 IonicContact NH1-OD2 2.94Å; R286-D297 PolarHBondContact NH1-OD2 2.69Å; R286-Y350 HydrophobicContact CB-CE2 3.88Å; R286-Y350 WeakPolarHBondContact O-CE2 3.32Å; R286-R354 PolarHBondContact O-NE 3.01Å; R286-R354 PolarHBondContact O-NH2 3.45Å
287	P	87	Confident	82.2	Confident	87 Å²	87	40.7 Å²	40.7	57%	0.565	22%	0.223	S	C	*	.	S	Bend	trans	-80.9	-30.6	-177.5	31.1	-35.6	0	0	0	113.4	H291	P287-H291 HydrophobicContact CG-CB 4.3Å
288	D	88.1	Confident	80.9	Confident	57 Å²	57	39.3 Å²	39.3	31%	0.305	21%	0.214	S	C	.	.	S	Bend	trans	-151.5	170.8	-179.5	60.1	48.7	0	0	0	110.7	A290 H291 Y350	D288-A290 VanDerWaalsContact C-N 3.26Å; D288-A290 PolarHBondContact O-N 3.26Å; D288-A290 WeakPolarHBondContact OD1-CA 3.39Å; D288-A290 VanDerWaalsContact OD1-CB 3.26Å; D288-A290 WeakPolarHBondContact OD1-CB 3.33Å; D288-A290 PolarHBondContact OD1-N 3.23Å; D288-H291 PolarHBondContact O-N 3.23Å; D288-H291 IonicContact OD1-CE1 3.25Å; D288-H291 IonicContact OD1-CG 2.93Å; D288-H291 PolarHBondContact OD1-N 3.14Å; D288-H291 IonicContact OD1-ND1 2.76Å; D288-H291 PolarHBondContact OD1-ND1 3.43Å; D288-H291 IonicContact OD2-CE1 2.71Å; D288-H291 PolarHBondContact OD2-CE1 3.47Å; D288-H291 IonicContact OD2-ND1 3.56Å; D288-H291 PolarHBondContact OD2-ND1 3.04Å; D288-Y350 WeakPolarHBondContact CA-OH 3.46Å; D288-Y350 PolarHBondContact N-OH 2.91Å; D288-Y350 PolarHBondContact O-OH 3.15Å
289	F	88.5	Confident	79.7	Confident	1 Å²	1	39 Å²	39	0%	0.004	20%	0.204	C	C	.	.	S	Bend	trans	-64.6	-29.1	179.2	178	-109.3	0	0	0	112.9	L191 H291 L292 T293 W347 Y350 S363 Y364 M392	L191-F289 HydrophobicContact CB-CE2 4.19Å; L191-F289 HydrophobicContact CB-CZ 4.41Å; L191-F289 HydrophobicContact CD1-CD2 4.46Å; L191-F289 HydrophobicContact CD1-CE2 3.66Å; L191-F289 HydrophobicContact CD1-CZ 4.47Å; F289-H291 VanDerWaalsContact C-N 3.26Å; F289-H291 PolarHBondContact O-N 3.15Å; F289-L292 HydrophobicContact CD2-CD1 4.26Å; F289-L292 WeakPolarHBondContact O-CB 3.34Å; F289-L292 PolarHBondContact O-N 3.16Å; F289-T293 HydrophobicContact CE1-CG2 4.31Å; F289-T293 WeakPolarHBondContact O-CG2 3.43Å; F289-W347 HydrophobicContact CD2-CZ2 4.13Å; F289-W347 AromaticContact CD2-NE1 3.56Å; F289-W347 AromaticContact CE2-CE2 3.67Å; F289-W347 AromaticContact CE2-CZ2 3.51Å; F289-W347 HydrophobicContact CE2-CZ2 3.51Å; F289-W347 AromaticContact CE2-NE1 3.54Å; F289-W347 HydrophobicContact CZ-CZ2 4.18Å; F289-Y350 PolarHBondContact N-OH 2.73Å; F289-S363 WeakPolarHBondContact CB-O 3.13Å; F289-S363 VanDerWaalsContact CD1-O 3.27Å; F289-S363 WeakPolarHBondContact CD1-O 3.31Å; F289-Y364 AromaticContact CE1-CD2 3.96Å; F289-Y364 HydrophobicContact CE1-CD2 3.96Å; F289-Y364 HydrophobicContact CE1-CE2 4.08Å; F289-M392 HydrophobicContact CD1-CE 4.2Å; F289-M392 HydrophobicContact CD2-CE 4.2Å; F289-M392 HydrophobicContact CE1-CE 4.29Å; F289-M392 HydrophobicContact CE1-SD 4.16Å; F289-M392 HydrophobicContact CE2-CE 4.27Å; F289-M392 HydrophobicContact CE2-SD 4.31Å; F289-M392 HydrophobicContact CG-CE 4.17Å; F289-M392 HydrophobicContact CZ-CE 4.32Å; F289-M392 HydrophobicContact CZ-SD 3.98Å
290	A	85.7	Confident	78.4	Confident	18 Å²	18	38 Å²	38	15%	0.149	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-62.1	-37.2	179.1	0	0	0	0	0	110.9	D288 L292 T293 V296 P365	D288-A290 VanDerWaalsContact C-N 3.26Å; D288-A290 PolarHBondContact O-N 3.26Å; D288-A290 WeakPolarHBondContact OD1-CA 3.39Å; D288-A290 VanDerWaalsContact OD1-CB 3.26Å; D288-A290 WeakPolarHBondContact OD1-CB 3.33Å; D288-A290 PolarHBondContact OD1-N 3.23Å; A290-L292 PolarHBondContact O-N 3.3Å; A290-T293 WeakPolarHBondContact O-CB 3.33Å; A290-T293 WeakPolarHBondContact O-CG2 3.38Å; A290-T293 PolarHBondContact O-N 3.09Å; A290-T293 PolarHBondContact O-OG1 3.2Å; A290-V296 HydrophobicContact CB-CG2 4.05Å; A290-V296 WeakPolarHBondContact O-CB 3.31Å; A290-V296 WeakPolarHBondContact O-CG2 3.14Å; A290-P365 HydrophobicContact CB-CB 3.9Å
291	H	85.1	Confident	76.8	Confident	68 Å²	68	37.1 Å²	37.1	32%	0.315	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-73.2	-0.4	174.7	-68.2	78.7	0	0	0	114.8	R286 P287 D288 F289 D297	R286-H291 HydrophobicContact CB-CB 4.22Å; R286-H291 WeakPolarHBondContact CD-O 3.43Å; R286-H291 HydrophobicContact CG-CB 4.19Å; P287-H291 HydrophobicContact CG-CB 4.3Å; D288-H291 PolarHBondContact O-N 3.23Å; D288-H291 IonicContact OD1-CE1 3.25Å; D288-H291 IonicContact OD1-CG 2.93Å; D288-H291 PolarHBondContact OD1-N 3.14Å; D288-H291 IonicContact OD1-ND1 2.76Å; D288-H291 PolarHBondContact OD1-ND1 3.43Å; D288-H291 IonicContact OD2-CE1 2.71Å; D288-H291 PolarHBondContact OD2-CE1 3.47Å; D288-H291 IonicContact OD2-ND1 3.56Å; D288-H291 PolarHBondContact OD2-ND1 3.04Å; F289-H291 VanDerWaalsContact C-N 3.26Å; F289-H291 PolarHBondContact O-N 3.15Å; H291-D297 WeakPolarHBondContact O-CB 3.36Å
292	L	81.8	Confident	74.9	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-95.7	0.4	167.4	-65.3	172.3	0	0	0	112.1	L191 I283 R286 F289 A290 F300 Y350	L191-L292 HydrophobicContact CD1-CB 4.27Å; I283-L292 HydrophobicContact CG2-CD2 3.74Å; R286-L292 HydrophobicContact CB-CD2 4.03Å; R286-L292 HydrophobicContact CB-CG 4.18Å; R286-L292 HydrophobicContact CG-CD2 3.42Å; R286-L292 VanDerWaalsContact CG-CD2 3.42Å; R286-L292 HydrophobicContact CG-CG 3.96Å; F289-L292 HydrophobicContact CD2-CD1 4.26Å; F289-L292 WeakPolarHBondContact O-CB 3.34Å; F289-L292 PolarHBondContact O-N 3.16Å; A290-L292 PolarHBondContact O-N 3.3Å; L292-F300 HydrophobicContact CD2-CD2 4.25Å; L292-F300 HydrophobicContact CD2-CE2 4.37Å; L292-F300 WeakPolarHBondContact O-CB 3.34Å; L292-F300 WeakPolarHBondContact O-CD1 3.21Å; L292-F300 WeakPolarHBondContact O-CG 3.44Å; L292-Y350 HydrophobicContact CD1-CD1 3.57Å; L292-Y350 HydrophobicContact CD1-CD2 4.14Å; L292-Y350 HydrophobicContact CD1-CE1 3.61Å; L292-Y350 HydrophobicContact CD1-CE2 4.15Å; L292-Y350 HydrophobicContact CD1-CG 3.87Å
293	T	77.6	Confident	72.7	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-103.4	150	-177.7	83.6	0	0	0	0	111.7	A188 F289 A290 C295 V296 D297 E301 P365	A188-T293 HydrophobicContact CB-CG2 3.87Å; F289-T293 HydrophobicContact CE1-CG2 4.31Å; F289-T293 WeakPolarHBondContact O-CG2 3.43Å; A290-T293 WeakPolarHBondContact O-CB 3.33Å; A290-T293 WeakPolarHBondContact O-CG2 3.38Å; A290-T293 PolarHBondContact O-N 3.09Å; A290-T293 PolarHBondContact O-OG1 3.2Å; T293-C295 PolarHBondContact O-N 2.83Å; T293-C295 VanDerWaalsContact O-N 3.11Å; T293-V296 PolarHBondContact O-N 3.39Å; T293-D297 CarbonylContact O-C 3.59Å; T293-D297 PolarHBondContact O-N 3.12Å; T293-D297 VanDerWaalsContact O-O 3.06Å; T293-E301 WeakPolarHBondContact CA-OE1 3.29Å; T293-P365 HydrophobicContact CG2-CG 4.31Å
294	E	71.1	Confident	70.4	Confident	18 Å²	18	29.6 Å²	29.6	8%	0.084	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-34.7	-179.4	-177.7	63	-163	0	0	113.5	V296 P298 E301 T302	E294-V296 PolarHBondContact O-N 2.83Å; E294-P298 VanDerWaalsContact CD-CA 3.49Å; E294-P298 WeakPolarHBondContact O-CA 3.3Å; E294-P298 WeakPolarHBondContact OE1-CB 3.11Å; E294-P298 VanDerWaalsContact OE2-CA 3.3Å; E294-P298 WeakPolarHBondContact OE2-CA 3.45Å; E294-E301 HydrophobicContact CB-CB 4.29Å; E294-E301 HydrophobicContact CB-CG 4.42Å; E294-E301 PolarHBondContact N-OE1 2.88Å; E294-T302 HydrophobicContact CG-CG2 4.08Å; E294-T302 WeakPolarHBondContact OE1-CG2 3.15Å; E294-T302 WeakPolarHBondContact OE2-CG2 3.2Å; E294-T302 PolarHBondContact OE2-OG1 2.88Å
295	C	70.6	Confident	67.8	Low	29 Å²	29	31.4 Å²	31.4	20%	0.196	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-20	-174.8	-86.4	0	0	0	0	115.6	T293 C371	T293-C295 PolarHBondContact O-N 2.83Å; T293-C295 VanDerWaalsContact O-N 3.11Å; C295-C371 HydrophobicContact CB-CB 4.21Å; C295-C371 WeakPolarHBondContact CB-SG 3.26Å; C295-C371 WeakPolarHBondContact SG-CA 3.42Å; C295-C371 WeakPolarHBondContact SG-CB 3.31Å; C295-C371 CovalentContact SG-SG 1.98Å; C295-C371 PolarHBondContact SG-SG 3.37Å
296	V	66.7	Low	65.2	Low	57 Å²	57	31.3 Å²	31.3	35%	0.345	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-44.1	177.2	-176.8	0	0	0	0	109.9	A290 T293 E294 A369	A290-V296 HydrophobicContact CB-CG2 4.05Å; A290-V296 WeakPolarHBondContact O-CB 3.31Å; A290-V296 WeakPolarHBondContact O-CG2 3.14Å; T293-V296 PolarHBondContact O-N 3.39Å; E294-V296 PolarHBondContact O-N 2.83Å; V296-A369 HydrophobicContact CG2-CB 3.86Å
297	D	68.5	Low	62.7	Low	26 Å²	26	38.9 Å²	38.9	14%	0.139	20%	0.198	C	C	.	.			trans	-135.4	97.7	175.7	-171.5	-1.7	0	0	0	109.4	Y282 R286 H291 T293 F299	Y282-D297 PolarHBondContact OH-OD1 3.27Å; Y282-D297 PolarHBondContact OH-OD2 2.93Å; R286-D297 IonicContact CZ-OD2 3.26Å; R286-D297 IonicContact NH1-OD2 2.94Å; R286-D297 PolarHBondContact NH1-OD2 2.69Å; H291-D297 WeakPolarHBondContact O-CB 3.36Å; T293-D297 CarbonylContact O-C 3.59Å; T293-D297 PolarHBondContact O-N 3.12Å; T293-D297 VanDerWaalsContact O-O 3.06Å; D297-F299 PolarHBondContact O-N 3.45Å; D297-F299 VanDerWaalsContact OD1-CB 3.25Å; D297-F299 WeakPolarHBondContact OD1-CB 3.36Å; D297-F299 PolarHBondContact OD1-N 3.34Å
298	P	59.5	Low	60.1	Low	30 Å²	30	37.6 Å²	37.6	20%	0.195	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	10.5	-176	30.1	-36.6	0	0	0	113.7	E294 T311	E294-P298 VanDerWaalsContact CD-CA 3.49Å; E294-P298 WeakPolarHBondContact O-CA 3.3Å; E294-P298 WeakPolarHBondContact OE1-CB 3.11Å; E294-P298 VanDerWaalsContact OE2-CA 3.3Å; E294-P298 WeakPolarHBondContact OE2-CA 3.45Å; P298-T311 WeakPolarHBondContact O-CG2 3.46Å
299	F	57.9	Low	57.6	Low	68 Å²	68	35.9 Å²	35.9	30%	0.298	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-10	-177.1	-147.6	-97.9	0	0	0	113.7	Y282 D297 T311 I312	Y282-F299 HydrophobicContact CD1-CD1 4.34Å; Y282-F299 HydrophobicContact CE1-CB 4.18Å; Y282-F299 AromaticContact CE1-CD1 3.78Å; Y282-F299 HydrophobicContact CE1-CD1 3.78Å; Y282-F299 HydrophobicContact CE1-CG 4.27Å; D297-F299 PolarHBondContact O-N 3.45Å; D297-F299 VanDerWaalsContact OD1-CB 3.25Å; D297-F299 WeakPolarHBondContact OD1-CB 3.36Å; D297-F299 PolarHBondContact OD1-N 3.34Å; F299-T311 VanDerWaalsContact C-CG2 3.4Å; F299-T311 WeakPolarHBondContact O-CA 3.25Å; F299-T311 WeakPolarHBondContact O-CB 3.33Å; F299-T311 WeakPolarHBondContact O-CG2 3.47Å; F299-I312 HydrophobicContact CD1-CD1 3.84Å; F299-I312 HydrophobicContact CD1-CG1 3.7Å; F299-I312 HydrophobicContact CE1-CD1 4.02Å; F299-I312 HydrophobicContact CE1-CG1 3.66Å; F299-I312 PolarHBondContact O-N 2.98Å
300	F	56	Low	55.4	Low	8 Å²	8	36.7 Å²	36.7	4%	0.035	19%	0.186	C	C	.	.	S	Bend	trans	-94.6	-44	-174.6	-167.7	-101.2	0	0	0	115.1	F190 L191 I283 L292 T311 H313 I343	F190-F300 HydrophobicContact CD1-CD1 4.49Å; F190-F300 HydrophobicContact CD1-CE1 4.25Å; F190-F300 HydrophobicContact CE1-CD1 4.38Å; F190-F300 AromaticContact CE1-CE1 3.97Å; F190-F300 HydrophobicContact CE1-CE1 3.97Å; L191-F300 HydrophobicContact CD1-CD1 4.39Å; L191-F300 HydrophobicContact CD1-CE1 3.66Å; L191-F300 HydrophobicContact CD1-CZ 4.14Å; L191-F300 HydrophobicContact CD2-CE1 3.61Å; L191-F300 HydrophobicContact CD2-CZ 3.92Å; L191-F300 HydrophobicContact CG-CE1 3.71Å; L191-F300 HydrophobicContact CG-CZ 4.39Å; I283-F300 HydrophobicContact CD1-CD2 4.08Å; I283-F300 HydrophobicContact CD1-CE2 3.72Å; I283-F300 HydrophobicContact CG1-CD2 3.88Å; I283-F300 HydrophobicContact CG1-CE2 3.83Å; I283-F300 HydrophobicContact CG2-CD2 4.42Å; I283-F300 HydrophobicContact CG2-CE2 3.83Å; L292-F300 HydrophobicContact CD2-CD2 4.25Å; L292-F300 HydrophobicContact CD2-CE2 4.37Å; L292-F300 WeakPolarHBondContact O-CB 3.34Å; L292-F300 WeakPolarHBondContact O-CD1 3.21Å; L292-F300 WeakPolarHBondContact O-CG 3.44Å; F300-T311 VanDerWaalsContact C-CB 3.46Å; F300-T311 WeakPolarHBondContact O-CB 3.38Å; F300-T311 PolarHBondContact O-OG1 3.28Å; F300-H313 VanDerWaalsContact O-CB 3.3Å; F300-H313 WeakPolarHBondContact O-CB 3.43Å; F300-I343 HydrophobicContact CE1-CG2 4.21Å; F300-I343 HydrophobicContact CZ-CG2 3.84Å
301	E	52.4	Low	54.2	Low	4 Å²	4	35.9 Å²	35.9	2%	0.019	18%	0.179	C	C	.	.	S	Bend	trans	-103.7	-25	-160.7	-62.4	-176.5	-167.3	0	0	116.9	L186 G187 F190 T293 E294 H313	L186-E301 PolarHBondContact N-OE2 3.46Å; G187-E301 PolarHBondContact N-OE2 2.96Å; G187-E301 VanDerWaalsContact O-OE1 3.09Å; F190-E301 HydrophobicContact CB-CG 4.08Å; F190-E301 WeakPolarHBondContact CB-OE1 3.16Å; F190-E301 VanDerWaalsContact CB-OE2 3.28Å; F190-E301 WeakPolarHBondContact CB-OE2 3.41Å; F190-E301 HydrophobicContact CD1-CB 4.37Å; F190-E301 HydrophobicContact CD1-CG 3.62Å; F190-E301 HydrophobicContact CD2-CB 4.45Å; F190-E301 HydrophobicContact CD2-CG 4.41Å; F190-E301 HydrophobicContact CE1-CG 4.17Å; F190-E301 HydrophobicContact CG-CB 4.31Å; F190-E301 HydrophobicContact CG-CG 3.79Å; T293-E301 WeakPolarHBondContact CA-OE1 3.29Å; E294-E301 HydrophobicContact CB-CB 4.29Å; E294-E301 HydrophobicContact CB-CG 4.42Å; E294-E301 PolarHBondContact N-OE1 2.88Å; E301-H313 PolarHBondContact O-ND1 2.98Å
302	T	45.6	Very low	53.4	Low	5 Å²	5	32.9 Å²	32.9	3%	0.031	17%	0.165	C	C	.	.			trans	-93.4	121	-165.6	56.4	0	0	0	0	119.4	Y75 L186 E294 S304 T311	Y75-T302 HydrophobicContact CE2-CG2 4.42Å; Y75-T302 WeakPolarHBondContact OH-CB 3.15Å; Y75-T302 WeakPolarHBondContact OH-CG2 3.04Å; L186-T302 HydrophobicContact CD2-CG2 3.25Å; E294-T302 HydrophobicContact CG-CG2 4.08Å; E294-T302 WeakPolarHBondContact OE1-CG2 3.15Å; E294-T302 WeakPolarHBondContact OE2-CG2 3.2Å; E294-T302 PolarHBondContact OE2-OG1 2.88Å; T302-S304 PolarHBondContact O-N 3.48Å; T302-S304 VanDerWaalsContact O-N 3.11Å; T302-T311 WeakPolarHBondContact CA-OG1 3.37Å; T302-T311 VanDerWaalsContact N-CB 3.31Å; T302-T311 PolarHBondContact N-OG1 2.79Å; T302-T311 WeakPolarHBondContact O-CB 3.4Å; T302-T311 WeakPolarHBondContact O-CG2 3.34Å; T302-T311 PolarHBondContact O-N 2.55Å; T302-T311 PolarHBondContact O-OG1 2.59Å; T302-T311 WeakPolarHBondContact OG1-CG2 3.4Å
303	A	38.1	Very low	53.2	Low	16 Å²	16	33 Å²	33	13%	0.132	17%	0.166	C	C	.	.			trans	-72.4	96.2	164.5	0	0	0	0	0	111	H317 T318	A303-H317 HydrophobicContact CB-CB 4.29Å; A303-T318 HydrophobicContact CB-CG2 4.34Å
304	S	36.1	Very low	53.3	Low	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.			trans	-90	126.8	162.8	-171.1	0	0	0	0	110.3	T302 F306 I309 T318	T302-S304 PolarHBondContact O-N 3.48Å; T302-S304 VanDerWaalsContact O-N 3.11Å; S304-F306 PolarHBondContact O-N 2.75Å; S304-I309 VanDerWaalsContact CB-C 3.46Å; S304-I309 WeakPolarHBondContact CB-O 3.3Å; S304-T318 WeakPolarHBondContact O-CG2 3.37Å
305	L	34.1	Very low	53.7	Low	48 Å²	48	32.2 Å²	32.2	25%	0.251	16%	0.162	S	C	.	.	S	Bend	trans	-59.6	2.6	176.5	-80.6	147.7	0	0	0	114.5	Y74 A271 T318	Y74-L305 HydrophobicContact CD1-CB 4.3Å; Y74-L305 HydrophobicContact CD1-CD1 4.1Å; Y74-L305 HydrophobicContact CE1-CB 4.15Å; Y74-L305 HydrophobicContact CE1-CD1 3.44Å; Y74-L305 VanDerWaalsContact CE1-CD1 3.44Å; Y74-L305 HydrophobicContact CE1-CG 4.31Å; A271-L305 VanDerWaalsContact CB-O 3.22Å; A271-L305 WeakPolarHBondContact CB-O 3.38Å; L305-T318 HydrophobicContact CD2-CG2 4.38Å; L305-T318 HydrophobicContact CG-CG2 4.37Å
306	F	32	Very low	54.5	Low	78 Å²	78	30.8 Å²	30.8	34%	0.342	15%	0.153	S	C	.	.	S	Bend	trans	-132	138.7	-175.9	-74	-80.4	0	0	0	113.8	Q71 Y74 S304 T308 I309	Q71-F306 HydrophobicContact CB-CB 4.04Å; Q71-F306 HydrophobicContact CB-CD2 3.99Å; Q71-F306 HydrophobicContact CB-CG 4.01Å; Q71-F306 HydrophobicContact CG-CB 3.79Å; Q71-F306 HydrophobicContact CG-CD1 3.77Å; Q71-F306 HydrophobicContact CG-CD2 3.84Å; Q71-F306 HydrophobicContact CG-CE1 4.27Å; Q71-F306 HydrophobicContact CG-CE2 4.35Å; Q71-F306 HydrophobicContact CG-CG 3.51Å; Y74-F306 AromaticContact CD1-CE2 3.86Å; Y74-F306 HydrophobicContact CD1-CE2 3.86Å; Y74-F306 HydrophobicContact CG-CE2 4.3Å; S304-F306 PolarHBondContact O-N 2.75Å; F306-T308 PolarHBondContact O-N 3.16Å; F306-I309 PolarHBondContact O-N 3.36Å
307	R	35.1	Very low	55.5	Low	198 Å²	198	28.4 Å²	28.4	75%	0.747	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-34.8	-20.7	-173.6	-75.2	-176.8	105.7	-135.6	1.4	119.4	G270	G270-R307 WeakPolarHBondContact O-CD 3.38Å; G270-R307 WeakPolarHBondContact O-CG 3.32Å; G270-R307 PolarHBondContact O-NE 3.02Å
308	T	31.4	Very low	56.2	Low	59 Å²	59	27.2 Å²	27.2	36%	0.362	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-19.2	-165.5	-11.6	0	0	0	0	115.1	R66 F306	R66-T308 HydrophobicContact CB-CG2 3.7Å; R66-T308 HydrophobicContact CG-CG2 4.09Å; R66-T308 WeakPolarHBondContact O-CB 3.49Å; R66-T308 VanDerWaalsContact O-CG2 3.3Å; R66-T308 WeakPolarHBondContact O-CG2 3.15Å; R66-T308 PolarHBondContact O-OG1 3.34Å; R66-T308 VanDerWaalsContact O-OG1 3.05Å; F306-T308 PolarHBondContact O-N 3.16Å
309	I	35.1	Very low	57.5	Low	22 Å²	22	26.9 Å²	26.9	11%	0.113	13%	0.126	C	C	.	.			trans	-137.9	37.8	178.5	-50	-157.1	0	0	0	110.7	F63 R66 L67 S304 F306 T311	F63-I309 HydrophobicContact CD2-CD1 4.18Å; F63-I309 HydrophobicContact CE1-CD1 4.26Å; F63-I309 HydrophobicContact CE2-CD1 3.46Å; F63-I309 VanDerWaalsContact CE2-CD1 3.46Å; F63-I309 HydrophobicContact CE2-CG2 4.21Å; F63-I309 HydrophobicContact CZ-CD1 3.43Å; F63-I309 VanDerWaalsContact CZ-CD1 3.43Å; R66-I309 HydrophobicContact CB-CD1 4.14Å; R66-I309 HydrophobicContact CB-CG1 4.19Å; L67-I309 HydrophobicContact CB-CD1 4.27Å; L67-I309 HydrophobicContact CD1-CB 4.09Å; L67-I309 HydrophobicContact CD1-CD1 3.3Å; L67-I309 HydrophobicContact CD1-CG1 3.78Å; L67-I309 HydrophobicContact CD2-CB 3.95Å; L67-I309 HydrophobicContact CD2-CD1 4.04Å; L67-I309 HydrophobicContact CD2-CG1 3.63Å; L67-I309 HydrophobicContact CG-CB 4.09Å; L67-I309 HydrophobicContact CG-CD1 3.22Å; L67-I309 HydrophobicContact CG-CG1 3.41Å; L67-I309 VanDerWaalsContact CG-CG1 3.41Å; S304-I309 VanDerWaalsContact CB-C 3.46Å; S304-I309 WeakPolarHBondContact CB-O 3.3Å; F306-I309 PolarHBondContact O-N 3.36Å; I309-T311 PolarHBondContact O-N 3.41Å
310	A	42.1	Very low	59.1	Low	17 Å²	17	23.7 Å²	23.7	14%	0.14	11%	0.112	C	C	.	.			trans	-75.3	124.9	157.7	0	0	0	0	0	106.2	S315	A310-S315 VanDerWaalsContact CB-CB 3.5Å
311	T	61.6	Low	60.5	Low	1 Å²	1	23.4 Å²	23.4	1%	0.006	11%	0.111	C	C	.	.			trans	-58.6	164.2	168.3	60.9	0	0	0	0	109.8	P298 F299 F300 T302 I309 H313 G314 S315	P298-T311 WeakPolarHBondContact O-CG2 3.46Å; F299-T311 VanDerWaalsContact C-CG2 3.4Å; F299-T311 WeakPolarHBondContact O-CA 3.25Å; F299-T311 WeakPolarHBondContact O-CB 3.33Å; F299-T311 WeakPolarHBondContact O-CG2 3.47Å; F300-T311 VanDerWaalsContact C-CB 3.46Å; F300-T311 WeakPolarHBondContact O-CB 3.38Å; F300-T311 PolarHBondContact O-OG1 3.28Å; T302-T311 WeakPolarHBondContact CA-OG1 3.37Å; T302-T311 VanDerWaalsContact N-CB 3.31Å; T302-T311 PolarHBondContact N-OG1 2.79Å; T302-T311 WeakPolarHBondContact O-CB 3.4Å; T302-T311 WeakPolarHBondContact O-CG2 3.34Å; T302-T311 PolarHBondContact O-N 2.55Å; T302-T311 PolarHBondContact O-OG1 2.59Å; T302-T311 WeakPolarHBondContact OG1-CG2 3.4Å; I309-T311 PolarHBondContact O-N 3.41Å; T311-H313 PolarHBondContact O-N 2.88Å; T311-G314 PolarHBondContact O-N 2.9Å; T311-G314 VanDerWaalsContact O-N 3.13Å; T311-G314 PolarHBondContact OG1-N 3.43Å; T311-S315 WeakPolarHBondContact O-CA 3.45Å; T311-S315 WeakPolarHBondContact O-CB 3.2Å; T311-S315 PolarHBondContact O-N 3Å; T311-S315 PolarHBondContact O-OG 3.27Å
312	I	67.3	Low	62.3	Low	5 Å²	5	24.4 Å²	24.4	3%	0.026	12%	0.123	C	C	.	.	H	α-helix	trans	-57.8	-42.4	-174.5	-48.2	165.8	0	0	0	109.8	F275 D279 Y282 I283 F299 S315	F275-I312 HydrophobicContact CD1-CG2 3.24Å; F275-I312 HydrophobicContact CD2-CG2 3.95Å; F275-I312 HydrophobicContact CE1-CB 3.97Å; F275-I312 HydrophobicContact CE1-CG2 3.08Å; F275-I312 HydrophobicContact CE2-CG2 3.76Å; F275-I312 WeakPolarHBondContact CE2-O 3.2Å; F275-I312 HydrophobicContact CG-CG2 3.71Å; F275-I312 HydrophobicContact CZ-CB 3.94Å; F275-I312 HydrophobicContact CZ-CG2 3.34Å; D279-I312 HydrophobicContact CB-CB 4.49Å; D279-I312 HydrophobicContact CB-CD1 3.89Å; D279-I312 HydrophobicContact CB-CG1 4.15Å; D279-I312 HydrophobicContact CB-CG2 3.47Å; D279-I312 VanDerWaalsContact CB-CG2 3.47Å; Y282-I312 HydrophobicContact CD1-CD1 3.9Å; Y282-I312 HydrophobicContact CE1-CD1 4.49Å; I283-I312 HydrophobicContact CD1-CD1 3.81Å; I283-I312 HydrophobicContact CG1-CD1 3.82Å; F299-I312 HydrophobicContact CD1-CD1 3.84Å; F299-I312 HydrophobicContact CD1-CG1 3.7Å; F299-I312 HydrophobicContact CE1-CD1 4.02Å; F299-I312 HydrophobicContact CE1-CG1 3.66Å; F299-I312 PolarHBondContact O-N 2.98Å; I312-S315 PolarHBondContact O-OG 2.74Å
313	H	79.1	Confident	64.4	Low	4 Å²	4	24.6 Å²	24.6	2%	0.019	12%	0.124	C	C	.	.	H	α-helix	trans	-61.7	-59.3	170	166.2	-103.3	0	0	0	112.8	F190 F300 E301 T311 S315 V316 H317 H339 H340 I343	F190-H313 AromaticContact CE2-CE1 3.87Å; F190-H313 AromaticContact CZ-CE1 3.66Å; F190-H313 AromaticContact CZ-CG 3.94Å; F190-H313 AromaticContact CZ-ND1 3.72Å; F190-H313 AromaticContact CZ-NE2 3.88Å; F300-H313 VanDerWaalsContact O-CB 3.3Å; F300-H313 WeakPolarHBondContact O-CB 3.43Å; E301-H313 PolarHBondContact O-ND1 2.98Å; T311-H313 PolarHBondContact O-N 2.88Å; H313-S315 PolarHBondContact O-N 2.86Å; H313-S315 VanDerWaalsContact O-N 3.09Å; H313-V316 PolarHBondContact O-N 3.46Å; H313-V316 VanDerWaalsContact O-N 3.11Å; H313-H317 AromaticContact CE1-CD2 3.37Å; H313-H317 PolarHBondContact CE1-CD2 2.94Å; H313-H317 AromaticContact CE1-NE2 3.34Å; H313-H317 PolarHBondContact CE1-NE2 3.18Å; H313-H317 VanDerWaalsContact CE1-NE2 3.34Å; H313-H317 AromaticContact NE2-CD2 3.39Å; H313-H317 PolarHBondContact NE2-CD2 3.07Å; H313-H317 AromaticContact NE2-NE2 3.16Å; H313-H317 PolarHBondContact NE2-NE2 2.77Å; H313-H317 VanDerWaalsContact NE2-NE2 3.16Å; H313-H339 AromaticContact CD2-CD2 3.74Å; H313-H339 AromaticContact CD2-CE1 3.68Å; H313-H339 AromaticContact CD2-NE2 2.95Å; H313-H339 PolarHBondContact CD2-NE2 2.8Å; H313-H339 AromaticContact CG-NE2 3.84Å; H313-H339 AromaticContact NE2-CD2 3.72Å; H313-H339 AromaticContact NE2-NE2 3.33Å; H313-H339 PolarHBondContact NE2-NE2 2.87Å; H313-H339 PolarHBondContact O-CE1 3.35Å; H313-H339 PolarHBondContact O-NE2 3.42Å; H313-H340 AromaticContact CE1-CE1 3.6Å; H313-H340 AromaticContact CE1-NE2 3.71Å; H313-H340 AromaticContact NE2-CD2 3.91Å; H313-H340 AromaticContact NE2-CE1 2.99Å; H313-H340 PolarHBondContact NE2-CE1 3.05Å; H313-H340 AromaticContact NE2-ND1 3.75Å; H313-H340 AromaticContact NE2-NE2 3.01Å; H313-H340 PolarHBondContact NE2-NE2 2.72Å; H313-I343 HydrophobicContact CB-CD1 4.08Å
314	G	79.7	Confident	66.9	Low	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.6	-19	-173.3	0	0	0	0	0	114.9	T311 V316 H317 T318	T311-G314 PolarHBondContact O-N 2.9Å; T311-G314 VanDerWaalsContact O-N 3.13Å; T311-G314 PolarHBondContact OG1-N 3.43Å; G314-V316 VanDerWaalsContact C-N 3.32Å; G314-H317 WeakPolarHBondContact O-CB 3.45Å; G314-T318 PolarHBondContact O-N 3.44Å; G314-T318 PolarHBondContact O-OG1 3.2Å
315	S	79.5	Confident	69.2	Low	1 Å²	1	24.8 Å²	24.8	1%	0.007	12%	0.124	C	C	.	.	H	α-helix	trans	-66.1	-34.1	175.9	76.3	0	0	0	0	112.3	G272 T273 A310 T311 I312 H313 T318 W319	G272-S315 CarbonylContact C-O 3.32Å; G272-S315 WeakPolarHBondContact CA-O 3.49Å; T273-S315 PolarHBondContact N-O 2.98Å; T273-S315 VanDerWaalsContact N-O 3.07Å; T273-S315 CarbonylContact O-C 3.4Å; T273-S315 VanDerWaalsContact O-O 3.11Å; T273-S315 PolarHBondContact O-OG 2.74Å; T273-S315 VanDerWaalsContact O-OG 3.08Å; T273-S315 WeakPolarHBondContact OG1-CB 3.4Å; T273-S315 PolarHBondContact OG1-OG 3.27Å; A310-S315 VanDerWaalsContact CB-CB 3.5Å; T311-S315 WeakPolarHBondContact O-CA 3.45Å; T311-S315 WeakPolarHBondContact O-CB 3.2Å; T311-S315 PolarHBondContact O-N 3Å; T311-S315 PolarHBondContact O-OG 3.27Å; I312-S315 PolarHBondContact O-OG 2.74Å; H313-S315 PolarHBondContact O-N 2.86Å; H313-S315 VanDerWaalsContact O-N 3.09Å; S315-T318 PolarHBondContact O-OG1 3.45Å; S315-T318 VanDerWaalsContact O-OG1 3.14Å; S315-W319 WeakPolarHBondContact O-CB 3.39Å; S315-W319 PolarHBondContact O-N 2.87Å
316	V	87.2	Confident	71.4	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-74.3	-42.8	178.6	-179.7	0	0	0	0	110.5	T219 T273 L274 F275 H313 G314 T318 W319 I320 H339	T219-V316 HydrophobicContact CG2-CG1 3.97Å; T219-V316 HydrophobicContact CG2-CG2 4.34Å; T273-V316 WeakPolarHBondContact O-CA 3.26Å; T273-V316 PolarHBondContact O-N 3.37Å; L274-V316 HydrophobicContact CD2-CG1 4.47Å; F275-V316 HydrophobicContact CD2-CG2 3.59Å; F275-V316 HydrophobicContact CE2-CG2 3.82Å; H313-V316 PolarHBondContact O-N 3.46Å; H313-V316 VanDerWaalsContact O-N 3.11Å; G314-V316 VanDerWaalsContact C-N 3.32Å; V316-T318 VanDerWaalsContact C-N 3.3Å; V316-T318 PolarHBondContact O-N 2.95Å; V316-W319 PolarHBondContact O-N 3.25Å; V316-I320 HydrophobicContact CG1-CD1 3.82Å; V316-I320 HydrophobicContact CG1-CG1 4.36Å; V316-I320 VanDerWaalsContact O-CG1 3.3Å; V316-I320 WeakPolarHBondContact O-CG1 3.37Å; V316-I320 PolarHBondContact O-N 3.22Å; V316-H339 VanDerWaalsContact CB-CE1 3.47Å; V316-H339 WeakPolarHBondContact CB-CE1 3.16Å
317	H	87.9	Confident	73.8	Confident	6 Å²	6	22.8 Å²	22.8	3%	0.028	12%	0.12	C	C	.	.	H	α-helix	trans	-51.2	-49.2	173.5	-88.5	-75.9	0	0	0	112.2	A303 H313 G314 G321 M324 S325 F336 H339 H340	A303-H317 HydrophobicContact CB-CB 4.29Å; H313-H317 AromaticContact CE1-CD2 3.37Å; H313-H317 PolarHBondContact CE1-CD2 2.94Å; H313-H317 AromaticContact CE1-NE2 3.34Å; H313-H317 PolarHBondContact CE1-NE2 3.18Å; H313-H317 VanDerWaalsContact CE1-NE2 3.34Å; H313-H317 AromaticContact NE2-CD2 3.39Å; H313-H317 PolarHBondContact NE2-CD2 3.07Å; H313-H317 AromaticContact NE2-NE2 3.16Å; H313-H317 PolarHBondContact NE2-NE2 2.77Å; H313-H317 VanDerWaalsContact NE2-NE2 3.16Å; G314-H317 WeakPolarHBondContact O-CB 3.45Å; H317-G321 PolarHBondContact O-N 2.86Å; H317-M324 CarbonylContact C-O 3.41Å; H317-M324 WeakPolarHBondContact CB-O 3.32Å; H317-M324 VanDerWaalsContact CE1-CE 3.46Å; H317-M324 WeakPolarHBondContact CE1-CE 3.24Å; H317-M324 WeakPolarHBondContact ND1-CE 3.47Å; H317-M324 PolarHBondContact ND1-O 3.15Å; H317-M324 CarbonylContact O-C 3.16Å; H317-S325 PolarHBondContact O-OG 2.79Å; H317-F336 AromaticContact CE1-CD2 3.79Å; H317-H339 AromaticContact CD2-CD2 3.54Å; H317-H339 AromaticContact CD2-NE2 3.43Å; H317-H339 PolarHBondContact CD2-NE2 3.42Å; H317-H339 AromaticContact NE2-CD2 3.42Å; H317-H339 PolarHBondContact NE2-CD2 3.1Å; H317-H339 AromaticContact NE2-NE2 3.75Å; H317-H340 AromaticContact CE1-NE2 3.75Å; H317-H340 AromaticContact NE2-CD2 3.93Å; H317-H340 AromaticContact NE2-NE2 3.14Å; H317-H340 PolarHBondContact NE2-NE2 3.32Å; H317-H340 VanDerWaalsContact NE2-NE2 3.14Å
318	T	82.7	Confident	76.1	Confident	1 Å²	1	15 Å²	15	1%	0.006	9%	0.094	C	C	.	.	H	α-helix	trans	-76.1	-27.7	-179.6	52	0	0	0	0	113.6	S269 G272 A303 S304 L305 G314 S315 V316 S325	S269-T318 PolarHBondContact OG-O 3.24Å; G272-T318 WeakPolarHBondContact CA-OG1 3.28Å; A303-T318 HydrophobicContact CB-CG2 4.34Å; S304-T318 WeakPolarHBondContact O-CG2 3.37Å; L305-T318 HydrophobicContact CD2-CG2 4.38Å; L305-T318 HydrophobicContact CG-CG2 4.37Å; G314-T318 PolarHBondContact O-N 3.44Å; G314-T318 PolarHBondContact O-OG1 3.2Å; S315-T318 PolarHBondContact O-OG1 3.45Å; S315-T318 VanDerWaalsContact O-OG1 3.14Å; V316-T318 VanDerWaalsContact C-N 3.3Å; V316-T318 PolarHBondContact O-N 2.95Å; T318-S325 WeakPolarHBondContact CA-OG 3.14Å
319	W	86.9	Confident	78.8	Confident	24 Å²	24	16.2 Å²	16.2	9%	0.091	9%	0.093	C	C	.	.	H	α-helix	trans	-69.8	-39.2	173	-174.4	86.7	0	0	0	112.1	P228 W234 V266 G267 A271 L274 S315 V316 G321	P228-W319 HydrophobicContact CB-CH2 4.27Å; P228-W319 HydrophobicContact CB-CZ2 3.83Å; W234-W319 AromaticContact CZ2-CZ3 3.74Å; W234-W319 HydrophobicContact CZ2-CZ3 3.74Å; W234-W319 AromaticContact NE1-CH2 3.73Å; W234-W319 AromaticContact NE1-CZ3 3.8Å; V266-W319 CarbonylContact C-O 3.13Å; V266-W319 WeakPolarHBondContact CA-O 3.47Å; V266-W319 HydrophobicContact CG1-CE3 4.09Å; V266-W319 HydrophobicContact CG1-CH2 3.29Å; V266-W319 HydrophobicContact CG1-CZ2 3.96Å; V266-W319 HydrophobicContact CG1-CZ3 3.38Å; G267-W319 PolarHBondContact N-O 3.45Å; A271-W319 WeakPolarHBondContact O-CA 3.42Å; L274-W319 HydrophobicContact CD1-CH2 4.01Å; L274-W319 HydrophobicContact CD1-CZ2 4.09Å; L274-W319 HydrophobicContact CD1-CZ3 4.26Å; L274-W319 HydrophobicContact CD2-CD2 3.52Å; L274-W319 HydrophobicContact CD2-CE3 3.32Å; L274-W319 HydrophobicContact CD2-CG 4.08Å; L274-W319 HydrophobicContact CD2-CH2 4.18Å; L274-W319 HydrophobicContact CD2-CZ2 4.39Å; L274-W319 HydrophobicContact CD2-CZ3 3.63Å; L274-W319 HydrophobicContact CG-CD2 3.98Å; L274-W319 HydrophobicContact CG-CE3 4.17Å; L274-W319 HydrophobicContact CG-CG 4.47Å; L274-W319 HydrophobicContact CG-CH2 4.38Å; L274-W319 HydrophobicContact CG-CZ2 4.25Å; L274-W319 HydrophobicContact CG-CZ3 4.32Å; S315-W319 WeakPolarHBondContact O-CB 3.39Å; S315-W319 PolarHBondContact O-N 2.87Å; V316-W319 PolarHBondContact O-N 3.25Å; W319-G321 VanDerWaalsContact C-N 3.32Å
320	I	90.5	Very high	81.5	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-67.2	-36	176.2	-65.4	163.3	0	0	0	110.8	W234 R264 A265 V266 V316 M324 V335	W234-I320 HydrophobicContact CH2-CD1 4.34Å; W234-I320 HydrophobicContact CH2-CG1 3.89Å; W234-I320 HydrophobicContact CH2-CG2 3.98Å; W234-I320 HydrophobicContact CZ2-CG1 4.16Å; W234-I320 HydrophobicContact CZ3-CG2 4.48Å; R264-I320 HydrophobicContact CG-CG2 4.3Å; A265-I320 CarbonylContact C-O 3.39Å; A265-I320 PolarHBondContact N-O 2.82Å; V266-I320 WeakPolarHBondContact CA-O 3.43Å; V266-I320 HydrophobicContact CG2-CG2 4.33Å; V266-I320 PolarHBondContact N-O 3.38Å; V316-I320 HydrophobicContact CG1-CD1 3.82Å; V316-I320 HydrophobicContact CG1-CG1 4.36Å; V316-I320 VanDerWaalsContact O-CG1 3.3Å; V316-I320 WeakPolarHBondContact O-CG1 3.37Å; V316-I320 PolarHBondContact O-N 3.22Å; I320-M324 HydrophobicContact CB-CB 3.95Å; I320-M324 HydrophobicContact CB-CG 4.22Å; I320-M324 HydrophobicContact CD1-CE 3.72Å; I320-M324 HydrophobicContact CD1-CG 4.29Å; I320-M324 HydrophobicContact CG2-CB 3.88Å; I320-M324 HydrophobicContact CG2-CG 3.79Å; I320-V335 HydrophobicContact CD1-CB 4.44Å; I320-V335 HydrophobicContact CD1-CG1 3.47Å; I320-V335 VanDerWaalsContact CD1-CG1 3.47Å
321	G	87	Confident	84.1	Confident	2 Å²	2	14.4 Å²	14.4	2%	0.021	8%	0.081	C	C	.	.			trans	78.5	-175.2	178.6	0	0	0	0	0	113.4	H317 W319 M324 S325	H317-G321 PolarHBondContact O-N 2.86Å; W319-G321 VanDerWaalsContact C-N 3.32Å; G321-M324 WeakPolarHBondContact O-CB 3.07Å; G321-M324 PolarHBondContact O-N 3.48Å; G321-S325 WeakPolarHBondContact CA-OG 3.33Å
322	G	89.1	Confident	85.8	Confident	25 Å²	25	14.4 Å²	14.4	26%	0.258	8%	0.082	S	C	.	.	G	3₁₀ helix	trans	60.6	-138.8	177.7	0	0	0	0	0	112.6	N263 M324 S325	N263-G322 WeakPolarHBondContact O-CA 3.31Å; G322-M324 PolarHBondContact O-N 3.38Å; G322-S325 PolarHBondContact O-N 2.9Å
323	Q	90.6	Very high	87.3	Confident	10 Å²	10	14.2 Å²	14.2	5%	0.047	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-60.6	-32.1	179.5	-76	83.8	-6	0	0	112.7	A256 K261 N263 S325 V326 S330 N332	A256-Q323 HydrophobicContact CB-CG 4.29Å; K261-Q323 PolarHBondContact O-NE2 2.77Å; N263-Q323 PolarHBondContact O-OE1 2.99Å; Q323-S325 PolarHBondContact O-N 3.43Å; Q323-S325 VanDerWaalsContact O-N 3.09Å; Q323-V326 PolarHBondContact O-N 3.45Å; Q323-S330 VanDerWaalsContact O-CA 3.26Å; Q323-S330 WeakPolarHBondContact O-CA 3.4Å; Q323-S330 PolarHBondContact O-N 3.19Å; Q323-N332 HydrophobicContact CB-CB 4.44Å; Q323-N332 HydrophobicContact CG-CB 4.38Å
324	M	90.1	Very high	88.2	Confident	1 Å²	1	14 Å²	14	1%	0.005	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-60.4	-20.1	174.8	-77.7	-66.8	-72.5	0	0	113	H317 I320 G321 G322 V326 D333 F336 H339	H317-M324 CarbonylContact C-O 3.41Å; H317-M324 WeakPolarHBondContact CB-O 3.32Å; H317-M324 VanDerWaalsContact CE1-CE 3.46Å; H317-M324 WeakPolarHBondContact CE1-CE 3.24Å; H317-M324 WeakPolarHBondContact ND1-CE 3.47Å; H317-M324 PolarHBondContact ND1-O 3.15Å; H317-M324 CarbonylContact O-C 3.16Å; I320-M324 HydrophobicContact CB-CB 3.95Å; I320-M324 HydrophobicContact CB-CG 4.22Å; I320-M324 HydrophobicContact CD1-CE 3.72Å; I320-M324 HydrophobicContact CD1-CG 4.29Å; I320-M324 HydrophobicContact CG2-CB 3.88Å; I320-M324 HydrophobicContact CG2-CG 3.79Å; G321-M324 WeakPolarHBondContact O-CB 3.07Å; G321-M324 PolarHBondContact O-N 3.48Å; G322-M324 PolarHBondContact O-N 3.38Å; M324-V326 VanDerWaalsContact C-N 3.34Å; M324-D333 HydrophobicContact CG-CB 3.73Å; M324-D333 HydrophobicContact SD-CB 4.02Å; M324-F336 HydrophobicContact SD-CB 3.85Å; M324-F336 HydrophobicContact SD-CD2 4.45Å; M324-H339 HydrophobicContact CE-CB 4.44Å
325	S	84.1	Confident	89.1	Confident	18 Å²	18	14 Å²	14	13%	0.126	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-88.6	0	176.8	-58.7	0	0	0	0	114.3	H317 T318 G321 G322 Q323	H317-S325 PolarHBondContact O-OG 2.79Å; T318-S325 WeakPolarHBondContact CA-OG 3.14Å; G321-S325 WeakPolarHBondContact CA-OG 3.33Å; G322-S325 PolarHBondContact O-N 2.9Å; Q323-S325 PolarHBondContact O-N 3.43Å; Q323-S325 VanDerWaalsContact O-N 3.09Å
326	V	81.3	Confident	90	Very high	64 Å²	64	14 Å²	14	39%	0.388	8%	0.079	S	C	.	.	S	Bend	trans	-122.6	103.7	-176.8	-174.7	0	0	0	0	108.4	Q323 M324 Y329 S330	Q323-V326 PolarHBondContact O-N 3.45Å; M324-V326 VanDerWaalsContact C-N 3.34Å; V326-Y329 HydrophobicContact CB-CD2 4.18Å; V326-Y329 HydrophobicContact CG1-CD2 3.51Å; V326-Y329 HydrophobicContact CG1-CE2 4.13Å; V326-Y329 HydrophobicContact CG1-CG 4.37Å; V326-Y329 CarbonylContact O-C 3.4Å; V326-Y329 PolarHBondContact O-N 3.2Å; V326-S330 PolarHBondContact O-N 1.98Å
327	V	81.5	Confident	90.5	Very high	21 Å²	21	14 Å²	14	13%	0.127	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-44.2	-54.6	-170.5	171	0	0	0	0	113.1	W82 H176 H185 Y329 S330	W82-V327 HydrophobicContact CZ2-CG1 4Å; H176-V327 PolarHBondContact ND1-O 2.88Å; H185-V327 WeakPolarHBondContact CE1-CG1 3.47Å; H185-V327 WeakPolarHBondContact NE2-CG1 3.46Å; V327-Y329 PolarHBondContact O-N 3.31Å; V327-Y329 VanDerWaalsContact O-N 3.14Å; V327-S330 PolarHBondContact O-N 3.11Å; V327-S330 PolarHBondContact O-OG 3.44Å
328	P	82.7	Confident	91.1	Very high	33 Å²	33	13.7 Å²	13.7	21%	0.214	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-59.4	-24.7	179	-28.7	38	0	0	0	116.4	Q177	Q177-P328 PolarHBondContact NE2-O 3.23Å
329	Y	88.6	Confident	91.7	Very high	85 Å²	85	13.6 Å²	13.6	33%	0.333	8%	0.077	S	C	.	.	G	3₁₀ helix	trans	-110.4	-6.6	-175	-56.5	-49.8	0	0	0	112.8	D258 V326 V327 P331 N332	D258-Y329 HydrophobicContact CB-CD1 4.05Å; D258-Y329 HydrophobicContact CB-CD2 4.19Å; D258-Y329 HydrophobicContact CB-CE1 3.96Å; D258-Y329 HydrophobicContact CB-CE2 4.12Å; D258-Y329 HydrophobicContact CB-CG 4.17Å; V326-Y329 HydrophobicContact CB-CD2 4.18Å; V326-Y329 HydrophobicContact CG1-CD2 3.51Å; V326-Y329 HydrophobicContact CG1-CE2 4.13Å; V326-Y329 HydrophobicContact CG1-CG 4.37Å; V326-Y329 CarbonylContact O-C 3.4Å; V326-Y329 PolarHBondContact O-N 3.2Å; V327-Y329 PolarHBondContact O-N 3.31Å; V327-Y329 VanDerWaalsContact O-N 3.14Å; Y329-P331 VanDerWaalsContact C-N 3.31Å; Y329-N332 WeakPolarHBondContact O-CB 3.25Å; Y329-N332 PolarHBondContact O-N 2.94Å; Y329-N332 PolarHBondContact O-ND2 3.48Å
330	S	92.2	Very high	92.2	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.007	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-54.5	-37.5	-177.3	66.5	0	0	0	0	114.1	Q323 V326 V327 N332 D333 F336	Q323-S330 VanDerWaalsContact O-CA 3.26Å; Q323-S330 WeakPolarHBondContact O-CA 3.4Å; Q323-S330 PolarHBondContact O-N 3.19Å; V326-S330 PolarHBondContact O-N 1.98Å; V327-S330 PolarHBondContact O-N 3.11Å; V327-S330 PolarHBondContact O-OG 3.44Å; S330-N332 PolarHBondContact O-N 2.98Å; S330-N332 VanDerWaalsContact O-N 3.1Å; S330-D333 PolarHBondContact O-N 2.88Å; S330-D333 VanDerWaalsContact O-N 3.16Å; S330-F336 WeakPolarHBondContact OG-CD2 2.99Å; S330-F336 WeakPolarHBondContact OG-CE2 3.18Å
331	P	97	Very high	92.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-67.4	-10.6	177	-17.1	32.1	0	0	0	114.4	Y169 V173 H176 Y329 D333 F336	Y169-P331 WeakPolarHBondContact CE1-O 3.2Å; Y169-P331 VanDerWaalsContact CZ-O 3.26Å; Y169-P331 PolarHBondContact OH-O 3.03Å; V173-P331 HydrophobicContact CG2-CB 4.19Å; H176-P331 HydrophobicContact CB-CG 3.77Å; H176-P331 VanDerWaalsContact ND1-CG 3.3Å; H176-P331 WeakPolarHBondContact ND1-CG 3.48Å; Y329-P331 VanDerWaalsContact C-N 3.31Å; P331-D333 PolarHBondContact O-N 3.13Å; P331-F336 HydrophobicContact CB-CD1 4.13Å; P331-F336 HydrophobicContact CB-CD2 4.27Å; P331-F336 HydrophobicContact CB-CE1 4.37Å; P331-F336 HydrophobicContact CB-CE2 4.47Å; P331-F336 HydrophobicContact CB-CG 4.11Å; P331-F336 HydrophobicContact CG-CD1 4.43Å; P331-F336 HydrophobicContact CG-CD2 4Å; P331-F336 HydrophobicContact CG-CE1 4.3Å; P331-F336 HydrophobicContact CG-CE2 3.82Å; P331-F336 HydrophobicContact CG-CG 4.32Å; P331-F336 HydrophobicContact CG-CZ 3.99Å
332	N	97.3	Very high	93.1	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.011	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-61.2	-27.7	171.8	-78.5	-74.4	0	0	0	112.5	V173 A256 T257 Q323 Y329 S330	V173-N332 WeakPolarHBondContact CG1-ND2 3.48Å; A256-N332 VanDerWaalsContact CA-OD1 3.23Å; A256-N332 WeakPolarHBondContact CA-OD1 3.44Å; A256-N332 HydrophobicContact CB-CB 3.78Å; A256-N332 WeakPolarHBondContact CB-OD1 3.2Å; T257-N332 PolarHBondContact N-OD1 3.33Å; T257-N332 PolarHBondContact OG1-ND2 3.21Å; T257-N332 VanDerWaalsContact OG1-ND2 3.08Å; T257-N332 PolarHBondContact OG1-OD1 2.99Å; Q323-N332 HydrophobicContact CB-CB 4.44Å; Q323-N332 HydrophobicContact CG-CB 4.38Å; Y329-N332 WeakPolarHBondContact O-CB 3.25Å; Y329-N332 PolarHBondContact O-N 2.94Å; Y329-N332 PolarHBondContact O-ND2 3.48Å; S330-N332 PolarHBondContact O-N 2.98Å; S330-N332 VanDerWaalsContact O-N 3.1Å
333	D	98.4	Very high	93.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.062	C	C	.	.	S	Bend	trans	-88.9	123.3	176.2	-166.5	-29.3	0	0	0	110.2	L262 R264 M324 S330 P331 V335 F336	L262-D333 HydrophobicContact CD1-CB 3.78Å; R264-D333 IonicContact CZ-OD1 3.83Å; R264-D333 IonicContact CZ-OD2 3.61Å; R264-D333 IonicContact NE-OD1 3.02Å; R264-D333 PolarHBondContact NE-OD1 3.37Å; R264-D333 IonicContact NE-OD2 2.68Å; R264-D333 PolarHBondContact NE-OD2 2.94Å; R264-D333 IonicContact NH2-OD1 3.72Å; R264-D333 PolarHBondContact NH2-OD1 2.9Å; R264-D333 IonicContact NH2-OD2 3.67Å; M324-D333 HydrophobicContact CG-CB 3.73Å; M324-D333 HydrophobicContact SD-CB 4.02Å; S330-D333 PolarHBondContact O-N 2.88Å; S330-D333 VanDerWaalsContact O-N 3.16Å; P331-D333 PolarHBondContact O-N 3.13Å; D333-V335 PolarHBondContact O-N 2.93Å; D333-V335 WeakPolarHBondContact OD1-CB 3.48Å; D333-V335 VanDerWaalsContact OD1-CG2 3.29Å; D333-V335 WeakPolarHBondContact OD1-CG2 3.28Å; D333-V335 PolarHBondContact OD1-N 3.45Å; D333-F336 WeakPolarHBondContact O-CB 3.42Å; D333-F336 PolarHBondContact O-N 2.86Å
334	P	98.5	Very high	93.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-21.6	175.5	-31.3	39.9	0	0	0	115	I156 F251 W254 F336 W337 L338	I156-P334 HydrophobicContact CG2-CG 4.41Å; F251-P334 HydrophobicContact CB-CG 4.35Å; F251-P334 HydrophobicContact CD1-CB 4.49Å; F251-P334 HydrophobicContact CD1-CG 3.84Å; F251-P334 HydrophobicContact CD2-CB 3.94Å; F251-P334 HydrophobicContact CD2-CG 3.77Å; F251-P334 HydrophobicContact CE1-CB 4.25Å; F251-P334 HydrophobicContact CE1-CG 4.03Å; F251-P334 HydrophobicContact CE2-CB 3.66Å; F251-P334 HydrophobicContact CE2-CG 3.96Å; F251-P334 HydrophobicContact CG-CB 4.35Å; F251-P334 HydrophobicContact CG-CG 3.7Å; F251-P334 HydrophobicContact CZ-CB 3.83Å; F251-P334 HydrophobicContact CZ-CG 4.08Å; W254-P334 HydrophobicContact CE3-CG 4.05Å; W254-P334 HydrophobicContact CH2-CG 3.54Å; W254-P334 HydrophobicContact CZ2-CG 4.34Å; W254-P334 HydrophobicContact CZ3-CG 3.35Å; P334-F336 PolarHBondContact O-N 2.88Å; P334-W337 PolarHBondContact O-N 3.27Å; P334-L338 WeakPolarHBondContact O-CD1 3.3Å
335	V	98.4	Very high	93.9	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-61.5	-27.4	173.3	-178.1	0	0	0	0	112	F217 W234 M239 I320 D333 W337 L338 H339	F217-V335 HydrophobicContact CD1-CG1 4.28Å; W234-V335 HydrophobicContact CH2-CG1 4.39Å; W234-V335 HydrophobicContact CH2-CG2 4.18Å; W234-V335 HydrophobicContact CZ3-CG2 4.11Å; M239-V335 HydrophobicContact CB-CG2 4.13Å; M239-V335 HydrophobicContact CE-CG2 4.1Å; M239-V335 HydrophobicContact CG-CG2 3.69Å; M239-V335 HydrophobicContact SD-CG2 3.83Å; I320-V335 HydrophobicContact CD1-CB 4.44Å; I320-V335 HydrophobicContact CD1-CG1 3.47Å; I320-V335 VanDerWaalsContact CD1-CG1 3.47Å; D333-V335 PolarHBondContact O-N 2.93Å; D333-V335 WeakPolarHBondContact OD1-CB 3.48Å; D333-V335 VanDerWaalsContact OD1-CG2 3.29Å; D333-V335 WeakPolarHBondContact OD1-CG2 3.28Å; D333-V335 PolarHBondContact OD1-N 3.45Å; V335-W337 VanDerWaalsContact C-N 3.28Å; V335-W337 PolarHBondContact O-N 3.16Å; V335-L338 PolarHBondContact O-N 2.83Å; V335-H339 WeakPolarHBondContact O-CB 3.15Å; V335-H339 PolarHBondContact O-N 3.49Å
336	F	98.2	Very high	94.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-49.2	-50.5	174.2	177.3	-85.6	0	0	0	111.6	H176 H194 Y197 H317 M324 S330 P331 D333 P334 L338 H339 H340	H176-F336 AromaticContact CE1-CE2 3.72Å; H176-F336 AromaticContact CE1-CZ 3.9Å; H176-F336 AromaticContact NE2-CZ 3.77Å; H194-F336 AromaticContact NE2-CZ 3.95Å; Y197-F336 HydrophobicContact CD1-CE1 4.15Å; Y197-F336 AromaticContact CE1-CE1 3.61Å; Y197-F336 HydrophobicContact CE1-CE1 3.61Å; Y197-F336 HydrophobicContact CE1-CZ 4.04Å; H317-F336 AromaticContact CE1-CD2 3.79Å; M324-F336 HydrophobicContact SD-CB 3.85Å; M324-F336 HydrophobicContact SD-CD2 4.45Å; S330-F336 WeakPolarHBondContact OG-CD2 2.99Å; S330-F336 WeakPolarHBondContact OG-CE2 3.18Å; P331-F336 HydrophobicContact CB-CD1 4.13Å; P331-F336 HydrophobicContact CB-CD2 4.27Å; P331-F336 HydrophobicContact CB-CE1 4.37Å; P331-F336 HydrophobicContact CB-CE2 4.47Å; P331-F336 HydrophobicContact CB-CG 4.11Å; P331-F336 HydrophobicContact CG-CD1 4.43Å; P331-F336 HydrophobicContact CG-CD2 4Å; P331-F336 HydrophobicContact CG-CE1 4.3Å; P331-F336 HydrophobicContact CG-CE2 3.82Å; P331-F336 HydrophobicContact CG-CG 4.32Å; P331-F336 HydrophobicContact CG-CZ 3.99Å; D333-F336 WeakPolarHBondContact O-CB 3.42Å; D333-F336 PolarHBondContact O-N 2.86Å; P334-F336 PolarHBondContact O-N 2.88Å; F336-L338 PolarHBondContact O-N 3.29Å; F336-H339 PolarHBondContact O-N 3.18Å; F336-H340 AromaticContact CD2-CD2 3.72Å; F336-H340 AromaticContact CD2-NE2 3.89Å; F336-H340 HydrophobicContact CE1-CB 4.47Å; F336-H340 AromaticContact CE1-CD2 3.73Å; F336-H340 AromaticContact CE2-CD2 3.4Å; F336-H340 WeakPolarHBondContact CE2-CD2 3.46Å; F336-H340 AromaticContact CE2-NE2 3.26Å; F336-H340 VanDerWaalsContact CE2-NE2 3.26Å; F336-H340 WeakPolarHBondContact CE2-NE2 3.43Å; F336-H340 AromaticContact CZ-CD2 3.39Å; F336-H340 WeakPolarHBondContact CZ-CD2 3.32Å; F336-H340 AromaticContact CZ-CG 3.95Å; F336-H340 AromaticContact CZ-NE2 3.51Å; F336-H340 PolarHBondContact O-CD2 3.41Å; F336-H340 PolarHBondContact O-N 3.06Å
337	W	98.7	Very high	95.1	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-64.2	-42.1	-176.1	-57.5	106.6	0	0	0	111.7	Y169 F172 Y197 L198 F201 P334 V335 T341	Y169-W337 AromaticContact CE2-NE1 3.45Å; Y169-W337 AromaticContact CZ-NE1 3.4Å; Y169-W337 PolarHBondContact OH-NE1 3.26Å; F172-W337 HydrophobicContact CB-CH2 3.96Å; F172-W337 HydrophobicContact CB-CZ2 3.97Å; F172-W337 AromaticContact CD1-CH2 3.96Å; F172-W337 HydrophobicContact CD1-CH2 3.96Å; F172-W337 HydrophobicContact CG-CH2 4.17Å; F172-W337 HydrophobicContact CG-CZ2 4.41Å; Y197-W337 HydrophobicContact CD1-CH2 4.03Å; Y197-W337 AromaticContact CD1-CZ3 3.69Å; Y197-W337 HydrophobicContact CD1-CZ3 3.69Å; Y197-W337 HydrophobicContact CE1-CE3 4.49Å; Y197-W337 AromaticContact CE1-CH2 3.35Å; Y197-W337 HydrophobicContact CE1-CH2 3.35Å; Y197-W337 HydrophobicContact CE1-CZ2 4.33Å; Y197-W337 AromaticContact CE1-CZ3 3.43Å; Y197-W337 HydrophobicContact CE1-CZ3 3.43Å; Y197-W337 VanDerWaalsContact CE1-CZ3 3.43Å; Y197-W337 AromaticContact CE2-CH2 3.95Å; Y197-W337 HydrophobicContact CE2-CH2 3.95Å; Y197-W337 HydrophobicContact CE2-CZ3 4.47Å; Y197-W337 HydrophobicContact CG-CZ3 4.31Å; Y197-W337 AromaticContact CZ-CH2 3.3Å; Y197-W337 AromaticContact CZ-CZ3 3.87Å; Y197-W337 WeakPolarHBondContact OH-CH2 3.5Å; L198-W337 HydrophobicContact CD2-CE3 4Å; F201-W337 HydrophobicContact CB-CE3 3.91Å; F201-W337 HydrophobicContact CB-CH2 3.71Å; F201-W337 HydrophobicContact CB-CZ2 4.46Å; F201-W337 HydrophobicContact CB-CZ3 3.4Å; F201-W337 VanDerWaalsContact CB-CZ3 3.4Å; F201-W337 AromaticContact CD1-CD2 3.45Å; F201-W337 HydrophobicContact CD1-CD2 3.45Å; F201-W337 VanDerWaalsContact CD1-CD2 3.45Å; F201-W337 AromaticContact CD1-CE2 3.85Å; F201-W337 AromaticContact CD1-CE3 3.45Å; F201-W337 HydrophobicContact CD1-CE3 3.45Å; F201-W337 VanDerWaalsContact CD1-CE3 3.45Å; F201-W337 AromaticContact CD1-CG 3.95Å; F201-W337 HydrophobicContact CD1-CG 3.95Å; F201-W337 HydrophobicContact CD1-CH2 4.17Å; F201-W337 HydrophobicContact CD1-CZ2 4.21Å; F201-W337 AromaticContact CD1-CZ3 3.82Å; F201-W337 HydrophobicContact CD1-CZ3 3.82Å; F201-W337 HydrophobicContact CD2-CD2 4.12Å; F201-W337 AromaticContact CD2-CE2 3.68Å; F201-W337 HydrophobicContact CD2-CE3 4.19Å; F201-W337 AromaticContact CD2-CH2 3.36Å; F201-W337 HydrophobicContact CD2-CH2 3.36Å; F201-W337 AromaticContact CD2-CZ2 3.3Å; F201-W337 HydrophobicContact CD2-CZ2 3.3Å; F201-W337 AromaticContact CD2-CZ3 3.84Å; F201-W337 HydrophobicContact CD2-CZ3 3.84Å; F201-W337 HydrophobicContact CE1-CB 4.2Å; F201-W337 AromaticContact CE1-CD1 3.71Å; F201-W337 AromaticContact CE1-CD2 3.43Å; F201-W337 HydrophobicContact CE1-CD2 3.43Å; F201-W337 VanDerWaalsContact CE1-CD2 3.43Å; F201-W337 AromaticContact CE1-CE2 3.63Å; F201-W337 AromaticContact CE1-CE3 3.96Å; F201-W337 HydrophobicContact CE1-CE3 3.96Å; F201-W337 AromaticContact CE1-CG 3.51Å; F201-W337 HydrophobicContact CE1-CG 3.51Å; F201-W337 HydrophobicContact CE1-CZ2 4.28Å; F201-W337 AromaticContact CE1-NE1 3.79Å; F201-W337 HydrophobicContact CE2-CD2 4.1Å; F201-W337 AromaticContact CE2-CE2 3.44Å; F201-W337 VanDerWaalsContact CE2-CE2 3.44Å; F201-W337 AromaticContact CE2-CH2 3.96Å; F201-W337 HydrophobicContact CE2-CH2 3.96Å; F201-W337 AromaticContact CE2-CZ2 3.38Å; F201-W337 HydrophobicContact CE2-CZ2 3.38Å; F201-W337 AromaticContact CE2-NE1 3.73Å; F201-W337 AromaticContact CG-CD2 3.82Å; F201-W337 HydrophobicContact CG-CD2 3.82Å; F201-W337 AromaticContact CG-CE2 3.89Å; F201-W337 AromaticContact CG-CE3 3.59Å; F201-W337 HydrophobicContact CG-CE3 3.59Å; F201-W337 AromaticContact CG-CH2 3.48Å; F201-W337 HydrophobicContact CG-CH2 3.48Å; F201-W337 VanDerWaalsContact CG-CH2 3.48Å; F201-W337 AromaticContact CG-CZ2 3.75Å; F201-W337 HydrophobicContact CG-CZ2 3.75Å; F201-W337 AromaticContact CG-CZ3 3.42Å; F201-W337 HydrophobicContact CG-CZ3 3.42Å; F201-W337 VanDerWaalsContact CG-CZ3 3.42Å; F201-W337 AromaticContact CZ-CD1 3.7Å; F201-W337 AromaticContact CZ-CD2 3.78Å; F201-W337 HydrophobicContact CZ-CD2 3.78Å; F201-W337 AromaticContact CZ-CE2 3.42Å; F201-W337 VanDerWaalsContact CZ-CE2 3.42Å; F201-W337 AromaticContact CZ-CG 3.96Å; F201-W337 HydrophobicContact CZ-CG 3.96Å; F201-W337 AromaticContact CZ-CZ2 3.9Å; F201-W337 HydrophobicContact CZ-CZ2 3.9Å; F201-W337 AromaticContact CZ-NE1 3.38Å; P334-W337 PolarHBondContact O-N 3.27Å; V335-W337 VanDerWaalsContact C-N 3.28Å; V335-W337 PolarHBondContact O-N 3.16Å; W337-T341 VanDerWaalsContact O-CB 3.23Å; W337-T341 WeakPolarHBondContact O-CB 3.17Å; W337-T341 PolarHBondContact O-N 3.32Å; W337-T341 PolarHBondContact O-OG1 2.82Å
338	L	98.7	Very high	95.8	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-67.2	-39.3	177.4	-81.2	72.6	0	0	0	112	Y141 F152 P215 Y216 F217 M233 M239 P334 V335 F336 F342	Y141-L338 HydrophobicContact CD1-CD2 3.58Å; Y141-L338 HydrophobicContact CD2-CD2 3.89Å; Y141-L338 HydrophobicContact CE1-CD2 4.02Å; Y141-L338 HydrophobicContact CE2-CD2 4.31Å; Y141-L338 HydrophobicContact CG-CD2 3.46Å; Y141-L338 VanDerWaalsContact CG-CD2 3.46Å; F152-L338 HydrophobicContact CE1-CD1 4.06Å; F152-L338 HydrophobicContact CZ-CD1 3.93Å; P215-L338 HydrophobicContact CG-CD1 4.17Å; P215-L338 HydrophobicContact CG-CD2 4.43Å; P215-L338 HydrophobicContact CG-CG 4.06Å; P215-L338 WeakPolarHBondContact O-CA 3.25Å; Y216-L338 WeakPolarHBondContact CA-O 3.44Å; F217-L338 HydrophobicContact CB-CB 3.72Å; F217-L338 HydrophobicContact CB-CD2 4.11Å; F217-L338 PolarHBondContact N-O 3.04Å; M233-L338 HydrophobicContact CE-CD2 4.39Å; M239-L338 HydrophobicContact CE-CD1 3.67Å; M239-L338 HydrophobicContact CE-CD2 3.18Å; M239-L338 HydrophobicContact CE-CG 4Å; P334-L338 WeakPolarHBondContact O-CD1 3.3Å; V335-L338 PolarHBondContact O-N 2.83Å; F336-L338 PolarHBondContact O-N 3.29Å; L338-F342 PolarHBondContact O-N 2.87Å; L338-F342 VanDerWaalsContact O-N 3.09Å
339	H	97.1	Very high	96.4	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-65.8	-50.9	178.4	175.2	50.6	0	0	0	111.1	H313 V316 H317 M324 V335 F336 T341 F342 I343	H313-H339 AromaticContact CD2-CD2 3.74Å; H313-H339 AromaticContact CD2-CE1 3.68Å; H313-H339 AromaticContact CD2-NE2 2.95Å; H313-H339 PolarHBondContact CD2-NE2 2.8Å; H313-H339 AromaticContact CG-NE2 3.84Å; H313-H339 AromaticContact NE2-CD2 3.72Å; H313-H339 AromaticContact NE2-NE2 3.33Å; H313-H339 PolarHBondContact NE2-NE2 2.87Å; H313-H339 PolarHBondContact O-CE1 3.35Å; H313-H339 PolarHBondContact O-NE2 3.42Å; V316-H339 VanDerWaalsContact CB-CE1 3.47Å; V316-H339 WeakPolarHBondContact CB-CE1 3.16Å; H317-H339 AromaticContact CD2-CD2 3.54Å; H317-H339 AromaticContact CD2-NE2 3.43Å; H317-H339 PolarHBondContact CD2-NE2 3.42Å; H317-H339 AromaticContact NE2-CD2 3.42Å; H317-H339 PolarHBondContact NE2-CD2 3.1Å; H317-H339 AromaticContact NE2-NE2 3.75Å; M324-H339 HydrophobicContact CE-CB 4.44Å; V335-H339 WeakPolarHBondContact O-CB 3.15Å; V335-H339 PolarHBondContact O-N 3.49Å; F336-H339 PolarHBondContact O-N 3.18Å; H339-T341 VanDerWaalsContact C-N 3.31Å; H339-T341 PolarHBondContact O-N 3.07Å; H339-F342 WeakPolarHBondContact O-CA 3.26Å; H339-F342 VanDerWaalsContact O-CB 3.3Å; H339-F342 WeakPolarHBondContact O-CB 3.21Å; H339-F342 PolarHBondContact O-N 3.34Å; H339-I343 WeakPolarHBondContact O-CG1 3.39Å; H339-I343 PolarHBondContact O-N 3.42Å
340	H	97.1	Very high	96.7	Very high	3 Å²	3	5.3 Å²	5.3	1%	0.014	2%	0.024	C	C	.	.	H	α-helix	trans	-67.5	-31	178.8	-81.6	-92.4	0	0	0	112.6	H194 L198 H313 H317 F336 F342 I343 D344	H194-H340 AromaticContact CD2-CE1 3.3Å; H194-H340 PolarHBondContact CD2-CE1 2.73Å; H194-H340 AromaticContact CD2-CG 3.88Å; H194-H340 AromaticContact CD2-ND1 3.09Å; H194-H340 PolarHBondContact CD2-ND1 3.01Å; H194-H340 AromaticContact CE1-CE1 3.7Å; H194-H340 AromaticContact CG-CE1 3.88Å; H194-H340 AromaticContact CG-ND1 3.49Å; H194-H340 AromaticContact NE2-CE1 3.16Å; H194-H340 PolarHBondContact NE2-CE1 3.37Å; H194-H340 AromaticContact NE2-ND1 3.52Å; L198-H340 HydrophobicContact CD1-CB 4.31Å; L198-H340 HydrophobicContact CD2-CB 4.16Å; H313-H340 AromaticContact CE1-CE1 3.6Å; H313-H340 AromaticContact CE1-NE2 3.71Å; H313-H340 AromaticContact NE2-CD2 3.91Å; H313-H340 AromaticContact NE2-CE1 2.99Å; H313-H340 PolarHBondContact NE2-CE1 3.05Å; H313-H340 AromaticContact NE2-ND1 3.75Å; H313-H340 AromaticContact NE2-NE2 3.01Å; H313-H340 PolarHBondContact NE2-NE2 2.72Å; H317-H340 AromaticContact CE1-NE2 3.75Å; H317-H340 AromaticContact NE2-CD2 3.93Å; H317-H340 AromaticContact NE2-NE2 3.14Å; H317-H340 PolarHBondContact NE2-NE2 3.32Å; H317-H340 VanDerWaalsContact NE2-NE2 3.14Å; F336-H340 AromaticContact CD2-CD2 3.72Å; F336-H340 AromaticContact CD2-NE2 3.89Å; F336-H340 HydrophobicContact CE1-CB 4.47Å; F336-H340 AromaticContact CE1-CD2 3.73Å; F336-H340 AromaticContact CE2-CD2 3.4Å; F336-H340 WeakPolarHBondContact CE2-CD2 3.46Å; F336-H340 AromaticContact CE2-NE2 3.26Å; F336-H340 VanDerWaalsContact CE2-NE2 3.26Å; F336-H340 WeakPolarHBondContact CE2-NE2 3.43Å; F336-H340 AromaticContact CZ-CD2 3.39Å; F336-H340 WeakPolarHBondContact CZ-CD2 3.32Å; F336-H340 AromaticContact CZ-CG 3.95Å; F336-H340 AromaticContact CZ-NE2 3.51Å; F336-H340 PolarHBondContact O-CD2 3.41Å; F336-H340 PolarHBondContact O-N 3.06Å; H340-F342 VanDerWaalsContact C-N 3.27Å; H340-F342 PolarHBondContact O-N 3.13Å; H340-I343 PolarHBondContact O-N 3.37Å; H340-D344 PolarHBondContact O-N 3.44Å
341	T	98.5	Very high	96.9	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-64.6	-33.3	171.1	-56.3	0	0	0	0	111.6	R138 L198 L214 W337 H339 R345 Y403	R138-T341 HydrophobicContact CB-CG2 4.39Å; R138-T341 HydrophobicContact CG-CG2 4.42Å; L198-T341 WeakPolarHBondContact CD2-OG1 3.26Å; L214-T341 HydrophobicContact CB-CG2 4.21Å; W337-T341 VanDerWaalsContact O-CB 3.23Å; W337-T341 WeakPolarHBondContact O-CB 3.17Å; W337-T341 PolarHBondContact O-N 3.32Å; W337-T341 PolarHBondContact O-OG1 2.82Å; H339-T341 VanDerWaalsContact C-N 3.31Å; H339-T341 PolarHBondContact O-N 3.07Å; T341-R345 WeakPolarHBondContact O-CB 3.33Å; T341-R345 PolarHBondContact O-N 2.8Å; T341-Y403 HydrophobicContact CG2-CE1 3.83Å; T341-Y403 PolarHBondContact O-OH 2.5Å
342	F	97.4	Very high	96.9	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.009	5%	0.048	C	C	.	.	H	α-helix	trans	-68.6	-42.4	172.5	-175.3	-117.3	0	0	0	111.9	Y216 F217 D218 T220 F275 I280 L338 H339 H340 R345 V346	Y216-F342 AromaticContact CD2-CD2 3.77Å; Y216-F342 HydrophobicContact CD2-CD2 3.77Å; Y216-F342 HydrophobicContact CE2-CD2 4.39Å; Y216-F342 HydrophobicContact CG-CD2 4.43Å; F217-F342 WeakPolarHBondContact O-CB 3.25Å; F217-F342 WeakPolarHBondContact O-CG 3.44Å; D218-F342 HydrophobicContact CB-CD2 3.95Å; D218-F342 HydrophobicContact CB-CE2 3.54Å; D218-F342 HydrophobicContact CB-CZ 4.1Å; D218-F342 WeakPolarHBondContact OD1-CE2 3.49Å; D218-F342 WeakPolarHBondContact OD1-CZ 3.41Å; T220-F342 HydrophobicContact CG2-CZ 4.32Å; F275-F342 HydrophobicContact CB-CE1 4.35Å; F275-F342 HydrophobicContact CD1-CE1 4.18Å; F275-F342 HydrophobicContact CD2-CE1 4.29Å; F275-F342 HydrophobicContact CG-CE1 4.03Å; I280-F342 HydrophobicContact CD1-CE1 3.99Å; I280-F342 HydrophobicContact CD1-CZ 3.84Å; L338-F342 PolarHBondContact O-N 2.87Å; L338-F342 VanDerWaalsContact O-N 3.09Å; H339-F342 WeakPolarHBondContact O-CA 3.26Å; H339-F342 VanDerWaalsContact O-CB 3.3Å; H339-F342 WeakPolarHBondContact O-CB 3.21Å; H339-F342 PolarHBondContact O-N 3.34Å; H340-F342 VanDerWaalsContact C-N 3.27Å; H340-F342 PolarHBondContact O-N 3.13Å; F342-R345 WeakPolarHBondContact O-CB 3.38Å; F342-R345 PolarHBondContact O-N 3.5Å; F342-V346 HydrophobicContact CE1-CG2 4.22Å; F342-V346 HydrophobicContact CE2-CG2 4.27Å; F342-V346 HydrophobicContact CZ-CG2 4.08Å; F342-V346 WeakPolarHBondContact O-CG2 3.37Å; F342-V346 PolarHBondContact O-N 2.94Å
343	I	93.6	Very high	96.8	Very high	4 Å²	4	16 Å²	16	2%	0.021	8%	0.077	C	C	.	.	H	α-helix	trans	-60.5	-48.4	175.7	-57.5	-53.1	0	0	0	111.5	F190 L191 F275 F300 H313 H339 H340 R345 V346 W347	F190-I343 HydrophobicContact CE1-CG2 4.4Å; L191-I343 HydrophobicContact CD2-CG2 3.87Å; F275-I343 HydrophobicContact CE1-CD1 4.39Å; F275-I343 HydrophobicContact CE2-CD1 3.76Å; F275-I343 HydrophobicContact CZ-CD1 3.38Å; F300-I343 HydrophobicContact CE1-CG2 4.21Å; F300-I343 HydrophobicContact CZ-CG2 3.84Å; H313-I343 HydrophobicContact CB-CD1 4.08Å; H339-I343 WeakPolarHBondContact O-CG1 3.39Å; H339-I343 PolarHBondContact O-N 3.42Å; H340-I343 PolarHBondContact O-N 3.37Å; I343-R345 VanDerWaalsContact C-N 3.26Å; I343-R345 PolarHBondContact O-N 2.78Å; I343-V346 PolarHBondContact O-N 3.28Å; I343-V346 VanDerWaalsContact O-N 3.12Å; I343-W347 PolarHBondContact O-N 3.24Å
344	D	96.5	Very high	96.6	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.021	10%	0.098	C	C	.	.	H	α-helix	trans	-62.5	-35.2	178.5	-179.3	58.3	0	0	0	111.7	R138 R195 L198 H340 W347 E348 Y401 Y403	R138-D344 IonicContact NH1-OD2 3.7Å; R195-D344 IonicContact CZ-OD1 3.02Å; R195-D344 IonicContact NE-OD1 3.81Å; R195-D344 PolarHBondContact NE-OD1 2.97Å; R195-D344 IonicContact NE-OD2 3.55Å; R195-D344 IonicContact NH2-OD1 3.94Å; R195-D344 PolarHBondContact NH2-OD1 3.31Å; R195-D344 IonicContact NH2-OD2 2.59Å; L198-D344 HydrophobicContact CD1-CB 3.89Å; H340-D344 PolarHBondContact O-N 3.44Å; D344-W347 PolarHBondContact O-N 3.14Å; D344-E348 WeakPolarHBondContact O-CB 2.91Å; D344-E348 PolarHBondContact O-N 3.44Å; D344-Y401 PolarHBondContact OD2-OH 2.96Å; D344-Y401 VanDerWaalsContact OD2-OH 3.13Å; D344-Y403 WeakPolarHBondContact CB-OH 3.1Å; D344-Y403 WeakPolarHBondContact OD2-CE2 3.39Å; D344-Y403 PolarHBondContact OD2-OH 3.21Å
345	R	97.3	Very high	96.5	Very high	29 Å²	29	22.3 Å²	22.3	11%	0.109	10%	0.101	C	C	.	.	H	α-helix	trans	-60.7	-47.4	171.5	179.3	179.2	167.8	-78.6	-12.9	112.2	Y216 T341 F342 I343 W347 E348 Q349 Y403 Q404 S406	Y216-R345 VanDerWaalsContact CE1-CD 3.47Å; T341-R345 WeakPolarHBondContact O-CB 3.33Å; T341-R345 PolarHBondContact O-N 2.8Å; F342-R345 WeakPolarHBondContact O-CB 3.38Å; F342-R345 PolarHBondContact O-N 3.5Å; I343-R345 VanDerWaalsContact C-N 3.26Å; I343-R345 PolarHBondContact O-N 2.78Å; R345-W347 VanDerWaalsContact C-N 3.33Å; R345-E348 PolarHBondContact O-N 2.86Å; R345-Q349 PolarHBondContact O-N 3.38Å; R345-Y403 HydrophobicContact CB-CD1 3.66Å; R345-Y403 HydrophobicContact CB-CD2 4.22Å; R345-Y403 HydrophobicContact CB-CE1 3.62Å; R345-Y403 HydrophobicContact CB-CE2 4.17Å; R345-Y403 HydrophobicContact CB-CG 3.99Å; R345-Y403 HydrophobicContact CG-CD1 3.75Å; R345-Y403 HydrophobicContact CG-CD2 4.29Å; R345-Y403 HydrophobicContact CG-CE1 4.25Å; R345-Y403 HydrophobicContact CG-CG 3.79Å; R345-Q404 PolarHBondContact NE-O 3.16Å; R345-S406 VanDerWaalsContact CZ-OG 3.26Å; R345-S406 PolarHBondContact NH1-OG 3.25Å; R345-S406 VanDerWaalsContact NH1-OG 3.08Å; R345-S406 PolarHBondContact NH2-OG 3.47Å
346	V	94.7	Very high	96.5	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.012	12%	0.119	C	C	.	.	H	α-helix	trans	-64.7	-41.3	179.6	175.8	0	0	0	0	110.4	I280 I283 F342 I343 Q349 Y350	I280-V346 HydrophobicContact CD1-CG1 4.25Å; I280-V346 HydrophobicContact CD1-CG2 3.63Å; I280-V346 HydrophobicContact CG2-CG1 4.42Å; I283-V346 HydrophobicContact CB-CG1 4.28Å; I283-V346 HydrophobicContact CD1-CG1 4.17Å; I283-V346 HydrophobicContact CG2-CG1 3.77Å; F342-V346 HydrophobicContact CE1-CG2 4.22Å; F342-V346 HydrophobicContact CE2-CG2 4.27Å; F342-V346 HydrophobicContact CZ-CG2 4.08Å; F342-V346 WeakPolarHBondContact O-CG2 3.37Å; F342-V346 PolarHBondContact O-N 2.94Å; I343-V346 PolarHBondContact O-N 3.28Å; I343-V346 VanDerWaalsContact O-N 3.12Å; V346-Q349 WeakPolarHBondContact O-CB 3.39Å; V346-Q349 PolarHBondContact O-N 2.82Å; V346-Y350 PolarHBondContact O-N 3.01Å
347	W	94.5	Very high	96.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.3	-43.2	174.3	179.6	41.6	0	0	0	112	L191 P192 R195 F289 I343 D344 R345 Q349 Y350 R351 M392	L191-W347 HydrophobicContact CB-CD2 3.93Å; L191-W347 HydrophobicContact CB-CE3 3.82Å; L191-W347 HydrophobicContact CB-CH2 4Å; L191-W347 HydrophobicContact CB-CZ2 4.12Å; L191-W347 HydrophobicContact CB-CZ3 3.85Å; L191-W347 HydrophobicContact CD1-CB 4.35Å; L191-W347 HydrophobicContact CD1-CD2 3.86Å; L191-W347 HydrophobicContact CD1-CG 3.74Å; L191-W347 HydrophobicContact CD2-CB 3.9Å; L191-W347 HydrophobicContact CD2-CD2 3.99Å; L191-W347 HydrophobicContact CD2-CE3 4.03Å; L191-W347 HydrophobicContact CD2-CG 3.96Å; L191-W347 HydrophobicContact CG-CD2 4.13Å; L191-W347 HydrophobicContact CG-CE3 4.34Å; L191-W347 HydrophobicContact CG-CG 4.31Å; P192-W347 HydrophobicContact CB-CH2 4.29Å; R195-W347 HydrophobicContact CB-CZ3 4.18Å; R195-W347 VanDerWaalsContact CZ-CZ3 3.45Å; F289-W347 HydrophobicContact CD2-CZ2 4.13Å; F289-W347 AromaticContact CD2-NE1 3.56Å; F289-W347 AromaticContact CE2-CE2 3.67Å; F289-W347 AromaticContact CE2-CZ2 3.51Å; F289-W347 HydrophobicContact CE2-CZ2 3.51Å; F289-W347 AromaticContact CE2-NE1 3.54Å; F289-W347 HydrophobicContact CZ-CZ2 4.18Å; I343-W347 PolarHBondContact O-N 3.24Å; D344-W347 PolarHBondContact O-N 3.14Å; R345-W347 VanDerWaalsContact C-N 3.33Å; W347-Q349 VanDerWaalsContact C-N 3.28Å; W347-Q349 PolarHBondContact O-N 3.05Å; W347-Y350 WeakPolarHBondContact O-CB 3.33Å; W347-Y350 PolarHBondContact O-N 3.47Å; W347-Y350 VanDerWaalsContact O-N 3.13Å; W347-R351 VanDerWaalsContact O-CG 3.32Å; W347-R351 WeakPolarHBondContact O-CG 3.47Å; W347-R351 PolarHBondContact O-N 2.85Å; W347-M392 HydrophobicContact CH2-CE 4.45Å; W347-M392 HydrophobicContact CH2-SD 3.71Å; W347-M392 HydrophobicContact CZ2-CE 3.76Å; W347-M392 HydrophobicContact CZ2-SD 3.53Å; W347-M392 VanDerWaalsContact CZ2-SD 3.53Å
348	E	97	Very high	96.3	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.019	17%	0.169	C	C	.	.	H	α-helix	trans	-62.2	-37.8	175.5	-176.4	60.9	-170.5	0	0	112	R195 D344 R345 R351 Q352 T397 Y403	R195-E348 IonicContact CZ-OE2 2.71Å; R195-E348 IonicContact NH1-OE2 3.65Å; R195-E348 IonicContact NH2-OE2 2.85Å; R195-E348 PolarHBondContact NH2-OE2 2.87Å; D344-E348 WeakPolarHBondContact O-CB 2.91Å; D344-E348 PolarHBondContact O-N 3.44Å; R345-E348 PolarHBondContact O-N 2.86Å; E348-R351 PolarHBondContact O-N 3.04Å; E348-R351 IonicContact OE1-NH1 3.91Å; E348-R351 IonicContact OE2-CZ 3.02Å; E348-R351 IonicContact OE2-NH1 3.62Å; E348-R351 PolarHBondContact OE2-NH1 3.17Å; E348-Q352 WeakPolarHBondContact O-CB 3.17Å; E348-Q352 VanDerWaalsContact O-CG 3.24Å; E348-Q352 WeakPolarHBondContact O-CG 3.42Å; E348-Q352 PolarHBondContact O-N 2.81Å; E348-Q352 PolarHBondContact OE1-NE2 2.83Å; E348-T397 HydrophobicContact CG-CG2 3.94Å; E348-T397 PolarHBondContact OE1-OG1 3.29Å; E348-T397 VanDerWaalsContact OE1-OG1 3.11Å; E348-Y403 HydrophobicContact CB-CD2 4.2Å; E348-Y403 HydrophobicContact CB-CE2 4.21Å; E348-Y403 HydrophobicContact CG-CD2 4.24Å
349	Q	95.7	Very high	96.2	Very high	60 Å²	60	39 Å²	39	28%	0.28	19%	0.189	S	C	.	.	H	α-helix	trans	-62.9	-44	172.8	-176.7	177.3	-7.1	0	0	111.6	L284 R345 V346 W347 Q352 L353	L284-Q349 HydrophobicContact CD1-CG 4.35Å; L284-Q349 HydrophobicContact CD2-CB 4.14Å; L284-Q349 HydrophobicContact CD2-CG 3.89Å; R345-Q349 PolarHBondContact O-N 3.38Å; V346-Q349 WeakPolarHBondContact O-CB 3.39Å; V346-Q349 PolarHBondContact O-N 2.82Å; W347-Q349 VanDerWaalsContact C-N 3.28Å; W347-Q349 PolarHBondContact O-N 3.05Å; Q349-Q352 PolarHBondContact O-N 3.19Å; Q349-L353 HydrophobicContact CG-CD1 3.86Å; Q349-L353 HydrophobicContact CG-CG 4.47Å; Q349-L353 WeakPolarHBondContact O-CB 3.38Å; Q349-L353 VanDerWaalsContact O-CG 3.3Å; Q349-L353 WeakPolarHBondContact O-CG 3.48Å; Q349-L353 PolarHBondContact O-N 3.29Å
350	Y	94.9	Very high	96.2	Very high	1 Å²	1	41 Å²	41	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-55.7	-52	173	165.2	-88.7	0	0	0	111.1	R286 D288 F289 L292 V346 W347 Q352 L353 R354 Q355	R286-Y350 HydrophobicContact CB-CE2 3.88Å; R286-Y350 WeakPolarHBondContact O-CE2 3.32Å; D288-Y350 WeakPolarHBondContact CA-OH 3.46Å; D288-Y350 PolarHBondContact N-OH 2.91Å; D288-Y350 PolarHBondContact O-OH 3.15Å; F289-Y350 PolarHBondContact N-OH 2.73Å; L292-Y350 HydrophobicContact CD1-CD1 3.57Å; L292-Y350 HydrophobicContact CD1-CD2 4.14Å; L292-Y350 HydrophobicContact CD1-CE1 3.61Å; L292-Y350 HydrophobicContact CD1-CE2 4.15Å; L292-Y350 HydrophobicContact CD1-CG 3.87Å; V346-Y350 PolarHBondContact O-N 3.01Å; W347-Y350 WeakPolarHBondContact O-CB 3.33Å; W347-Y350 PolarHBondContact O-N 3.47Å; W347-Y350 VanDerWaalsContact O-N 3.13Å; Y350-Q352 VanDerWaalsContact C-N 3.25Å; Y350-Q352 PolarHBondContact O-N 3.16Å; Y350-L353 PolarHBondContact O-N 2.99Å; Y350-L353 VanDerWaalsContact O-N 3.1Å; Y350-R354 HydrophobicContact CD2-CB 4.23Å; Y350-R354 HydrophobicContact CD2-CG 3.72Å; Y350-R354 HydrophobicContact CE1-CB 4.39Å; Y350-R354 HydrophobicContact CE2-CB 3.86Å; Y350-R354 HydrophobicContact CE2-CG 3.57Å; Y350-R354 HydrophobicContact CG-CG 4.44Å; Y350-R354 WeakPolarHBondContact O-CB 3.28Å; Y350-R354 PolarHBondContact O-N 3.38Å; Y350-Q355 HydrophobicContact CE1-CG 4.47Å
351	R	95.8	Very high	96.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-55.6	-42.8	178.7	-69.6	-179.3	73.2	-137	11.1	111.2	W347 E348 Q355 R360 M392 N394	W347-R351 VanDerWaalsContact O-CG 3.32Å; W347-R351 WeakPolarHBondContact O-CG 3.47Å; W347-R351 PolarHBondContact O-N 2.85Å; E348-R351 PolarHBondContact O-N 3.04Å; E348-R351 IonicContact OE1-NH1 3.91Å; E348-R351 IonicContact OE2-CZ 3.02Å; E348-R351 IonicContact OE2-NH1 3.62Å; E348-R351 PolarHBondContact OE2-NH1 3.17Å; R351-Q355 WeakPolarHBondContact O-CB 3.48Å; R351-Q355 PolarHBondContact O-N 3.24Å; R351-Q355 VanDerWaalsContact O-N 3.13Å; R351-R360 HydrophobicContact CB-CG 3.96Å; R351-R360 VanDerWaalsContact NH2-CB 3.28Å; R351-R360 PolarHBondContact NH2-O 3.34Å; R351-R360 PolarHBondContact O-NE 3.02Å; R351-R360 PolarHBondContact O-NH2 3.19Å; R351-M392 PolarHBondContact NH2-O 2.79Å; R351-N394 PolarHBondContact NH2-OD1 3.17Å
352	Q	96.2	Very high	96	Very high	111 Å²	111	48.6 Å²	48.6	52%	0.519	24%	0.24	S	C	.	.	H	α-helix	trans	-67.6	-33.8	179.7	-73.2	174.3	4.6	0	0	113.9	E348 Q349 Y350 R360	E348-Q352 WeakPolarHBondContact O-CB 3.17Å; E348-Q352 VanDerWaalsContact O-CG 3.24Å; E348-Q352 WeakPolarHBondContact O-CG 3.42Å; E348-Q352 PolarHBondContact O-N 2.81Å; E348-Q352 PolarHBondContact OE1-NE2 2.83Å; Q349-Q352 PolarHBondContact O-N 3.19Å; Y350-Q352 VanDerWaalsContact C-N 3.25Å; Y350-Q352 PolarHBondContact O-N 3.16Å; Q352-R360 PolarHBondContact O-NH2 3.24Å
353	L	96.1	Very high	95.7	Very high	115 Å²	115	50.1 Å²	50.1	60%	0.602	25%	0.25	S	S	*	.	H	α-helix	trans	-87.1	-32.8	-178.6	-70.2	172.3	0	0	0	113.7	L284 Q349 Y350	L284-L353 HydrophobicContact CD1-CD1 4.15Å; L284-L353 HydrophobicContact CD2-CD1 4.27Å; Q349-L353 HydrophobicContact CG-CD1 3.86Å; Q349-L353 HydrophobicContact CG-CG 4.47Å; Q349-L353 WeakPolarHBondContact O-CB 3.38Å; Q349-L353 VanDerWaalsContact O-CG 3.3Å; Q349-L353 WeakPolarHBondContact O-CG 3.48Å; Q349-L353 PolarHBondContact O-N 3.29Å; Y350-L353 PolarHBondContact O-N 2.99Å; Y350-L353 VanDerWaalsContact O-N 3.1Å
354	R	94.7	Very high	95.8	Very high	121 Å²	121	51.1 Å²	51.1	46%	0.457	25%	0.254	S	S	.	.	H	α-helix	trans	-111.1	-17.4	-166.5	-63.2	-60.8	-134	167.4	10.3	114.9	L284 D285 R286 Y350	L284-R354 PolarHBondContact O-NE 2.9Å; D285-R354 VanDerWaalsContact C-NH2 3.28Å; D285-R354 PolarHBondContact O-NH2 2.93Å; R286-R354 PolarHBondContact O-NE 3.01Å; R286-R354 PolarHBondContact O-NH2 3.45Å; Y350-R354 HydrophobicContact CD2-CB 4.23Å; Y350-R354 HydrophobicContact CD2-CG 3.72Å; Y350-R354 HydrophobicContact CE1-CB 4.39Å; Y350-R354 HydrophobicContact CE2-CB 3.86Å; Y350-R354 HydrophobicContact CE2-CG 3.57Å; Y350-R354 HydrophobicContact CG-CG 4.44Å; Y350-R354 WeakPolarHBondContact O-CB 3.28Å; Y350-R354 PolarHBondContact O-N 3.38Å
355	Q	96.6	Very high	95.4	Very high	13 Å²	13	51.4 Å²	51.4	6%	0.061	26%	0.256	C	S	.	.			trans	-125.6	142.4	-172.5	-65.4	174.8	-37	0	0	111.8	Y350 R351 E359 R360 S363	Y350-Q355 HydrophobicContact CE1-CG 4.47Å; R351-Q355 WeakPolarHBondContact O-CB 3.48Å; R351-Q355 PolarHBondContact O-N 3.24Å; R351-Q355 VanDerWaalsContact O-N 3.13Å; Q355-E359 VanDerWaalsContact CA-OE2 3.31Å; Q355-E359 WeakPolarHBondContact CA-OE2 3.23Å; Q355-E359 HydrophobicContact CB-CB 3.87Å; Q355-E359 HydrophobicContact CG-CB 4.21Å; Q355-R360 HydrophobicContact CB-CG 3.71Å; Q355-R360 PolarHBondContact O-NE 2.82Å; Q355-R360 PolarHBondContact O-NH2 3.2Å; Q355-S363 PolarHBondContact NE2-OG 3.13Å
356	T	97.4	Very high	95	Very high	61 Å²	61	55.7 Å²	55.7	37%	0.374	29%	0.285	S	S	.	.			trans	-64.9	161.3	164.2	72.9	0	0	0	0	110.7	E358 E359 R360	T356-E358 WeakPolarHBondContact CB-OE2 3.47Å; T356-E358 PolarHBondContact O-N 3.04Å; T356-E358 PolarHBondContact OG1-N 3.45Å; T356-E358 PolarHBondContact OG1-OE2 3.4Å; T356-E359 PolarHBondContact N-OE2 2.76Å; T356-E359 PolarHBondContact O-N 3.12Å; T356-E359 WeakPolarHBondContact OG1-CG 3.32Å; T356-E359 PolarHBondContact OG1-N 3.09Å; T356-E359 VanDerWaalsContact OG1-N 3.12Å; T356-R360 WeakPolarHBondContact O-CB 3.34Å; T356-R360 VanDerWaalsContact O-CG 3.31Å; T356-R360 WeakPolarHBondContact O-CG 3.04Å; T356-R360 PolarHBondContact O-N 3.49Å
357	P	96.4	Very high	94.5	Very high	70 Å²	70	58 Å²	58	46%	0.455	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-33.4	172.8	-27.6	37	0	0	0	113.8	R360 N394	P357-R360 WeakPolarHBondContact O-CB 3.31Å; P357-N394 PolarHBondContact O-ND2 3.43Å
358	E	96.6	Very high	93.6	Very high	129 Å²	129	65.5 Å²	65.5	60%	0.603	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-42.9	178.8	-60.2	71.1	-152.4	0	0	112.3	T356 R360 E361 T362	T356-E358 WeakPolarHBondContact CB-OE2 3.47Å; T356-E358 PolarHBondContact O-N 3.04Å; T356-E358 PolarHBondContact OG1-N 3.45Å; T356-E358 PolarHBondContact OG1-OE2 3.4Å; E358-R360 PolarHBondContact O-N 3.37Å; E358-E361 PolarHBondContact O-N 3.47Å; E358-E361 VanDerWaalsContact O-N 3.17Å; E358-T362 PolarHBondContact O-N 2.98Å; E358-T362 PolarHBondContact O-OG1 2.96Å
359	E	96.5	Very high	92.6	Very high	89 Å²	89	66.7 Å²	66.7	42%	0.416	36%	0.36	S	S	.	.	H	α-helix	trans	-62.7	-34	175.8	-74.3	170.5	157	0	0	111.3	Q355 T356 E361 T362 S363	Q355-E359 VanDerWaalsContact CA-OE2 3.31Å; Q355-E359 WeakPolarHBondContact CA-OE2 3.23Å; Q355-E359 HydrophobicContact CB-CB 3.87Å; Q355-E359 HydrophobicContact CG-CB 4.21Å; T356-E359 PolarHBondContact N-OE2 2.76Å; T356-E359 PolarHBondContact O-N 3.12Å; T356-E359 WeakPolarHBondContact OG1-CG 3.32Å; T356-E359 PolarHBondContact OG1-N 3.09Å; T356-E359 VanDerWaalsContact OG1-N 3.12Å; E359-E361 PolarHBondContact O-N 3.37Å; E359-T362 PolarHBondContact O-N 3.1Å; E359-T362 VanDerWaalsContact O-N 3.16Å; E359-S363 WeakPolarHBondContact O-CA 3.36Å; E359-S363 WeakPolarHBondContact O-CB 3.43Å; E359-S363 PolarHBondContact O-N 3.1Å
360	R	96.5	Very high	91.7	Very high	42 Å²	42	64.1 Å²	64.1	16%	0.158	35%	0.349	C	S	.	.	H	α-helix	trans	-57.3	-29.9	175.2	-85.7	-176.5	-147.5	157.3	14.4	114.1	R351 Q352 Q355 T356 P357 E358 N394	R351-R360 HydrophobicContact CB-CG 3.96Å; R351-R360 VanDerWaalsContact NH2-CB 3.28Å; R351-R360 PolarHBondContact NH2-O 3.34Å; R351-R360 PolarHBondContact O-NE 3.02Å; R351-R360 PolarHBondContact O-NH2 3.19Å; Q352-R360 PolarHBondContact O-NH2 3.24Å; Q355-R360 HydrophobicContact CB-CG 3.71Å; Q355-R360 PolarHBondContact O-NE 2.82Å; Q355-R360 PolarHBondContact O-NH2 3.2Å; T356-R360 WeakPolarHBondContact O-CB 3.34Å; T356-R360 VanDerWaalsContact O-CG 3.31Å; T356-R360 WeakPolarHBondContact O-CG 3.04Å; T356-R360 PolarHBondContact O-N 3.49Å; P357-R360 WeakPolarHBondContact O-CB 3.31Å; E358-R360 PolarHBondContact O-N 3.37Å; R360-N394 WeakPolarHBondContact CB-OD1 3.33Å; R360-N394 VanDerWaalsContact CD-OD1 3.28Å; R360-N394 WeakPolarHBondContact CD-OD1 3.5Å
361	E	96.6	Very high	90.9	Very high	64 Å²	64	65.7 Å²	65.7	30%	0.299	36%	0.359	S	S	.	.	H	α-helix	trans	-91.9	-21.2	179.8	-59.7	-78.2	168	0	0	112.3	E358 E359 S393 N394	E358-E361 PolarHBondContact O-N 3.47Å; E358-E361 VanDerWaalsContact O-N 3.17Å; E359-E361 PolarHBondContact O-N 3.37Å; E361-S393 WeakPolarHBondContact OE2-CA 3.46Å; E361-S393 PolarHBondContact OE2-OG 2.8Å; E361-N394 WeakPolarHBondContact CG-ND2 3.39Å; E361-N394 WeakPolarHBondContact OE1-CA 3.36Å; E361-N394 WeakPolarHBondContact OE1-CB 3.21Å; E361-N394 PolarHBondContact OE1-N 3.09Å; E361-N394 PolarHBondContact OE1-ND2 3.5Å
362	T	95.5	Very high	90.2	Very high	100 Å²	100	67.1 Å²	67.1	61%	0.613	37%	0.368	S	S	*	.	H	α-helix	trans	-123.7	-17.3	-164.4	56.2	0	0	0	0	114.7	E358 E359 Y364	E358-T362 PolarHBondContact O-N 2.98Å; E358-T362 PolarHBondContact O-OG1 2.96Å; E359-T362 PolarHBondContact O-N 3.1Å; E359-T362 VanDerWaalsContact O-N 3.16Å; T362-Y364 PolarHBondContact O-N 3.31Å
363	S	91.4	Very high	89.8	Confident	33 Å²	33	63.1 Å²	63.1	23%	0.231	35%	0.354	C	S	.	.			trans	-74	88.7	-177.5	-171.8	0	0	0	0	110.4	F289 Q355 E359 M392	F289-S363 WeakPolarHBondContact CB-O 3.13Å; F289-S363 VanDerWaalsContact CD1-O 3.27Å; F289-S363 WeakPolarHBondContact CD1-O 3.31Å; Q355-S363 PolarHBondContact NE2-OG 3.13Å; E359-S363 WeakPolarHBondContact O-CA 3.36Å; E359-S363 WeakPolarHBondContact O-CB 3.43Å; E359-S363 PolarHBondContact O-N 3.1Å; S363-M392 VanDerWaalsContact O-CE 3.31Å; S363-M392 WeakPolarHBondContact O-CE 3.49Å
364	Y	94	Very high	89.5	Confident	26 Å²	26	58.9 Å²	58.9	10%	0.102	34%	0.336	C	S	.	.			trans	-134.8	136.6	179.6	-154.9	-80.9	0	0	0	110.1	A188 A189 P192 F289 T362 T370 H375 A377 N388 I389 M392	A188-Y364 HydrophobicContact CB-CE1 3.81Å; A188-Y364 PolarHBondContact O-OH 2.79Å; A189-Y364 WeakPolarHBondContact CA-OH 3.49Å; A189-Y364 PolarHBondContact N-OH 3.48Å; P192-Y364 HydrophobicContact CG-CE2 4.2Å; F289-Y364 AromaticContact CE1-CD2 3.96Å; F289-Y364 HydrophobicContact CE1-CD2 3.96Å; F289-Y364 HydrophobicContact CE1-CE2 4.08Å; T362-Y364 PolarHBondContact O-N 3.31Å; Y364-T370 HydrophobicContact CE1-CG2 4.37Å; Y364-H375 VanDerWaalsContact CE1-O 3.3Å; Y364-H375 WeakPolarHBondContact CE1-O 3.4Å; Y364-H375 PolarHBondContact OH-O 3.34Å; Y364-A377 HydrophobicContact CD1-CB 3.55Å; Y364-A377 HydrophobicContact CE1-CB 3.97Å; Y364-A377 HydrophobicContact CG-CB 3.98Å; Y364-N388 HydrophobicContact CE2-CB 4.44Å; Y364-I389 VanDerWaalsContact CB-CD1 3.49Å; Y364-I389 HydrophobicContact CD2-CD1 3.82Å; Y364-I389 HydrophobicContact CG-CD1 3.86Å; Y364-M392 HydrophobicContact CD2-CG 3.92Å; Y364-M392 HydrophobicContact CD2-SD 4.04Å; Y364-M392 HydrophobicContact CE2-CG 4.45Å; Y364-M392 HydrophobicContact CE2-SD 4.38Å
365	P	90	Very high	89.2	Confident	9 Å²	9	53.1 Å²	53.1	6%	0.058	31%	0.314	C	S	.	.			trans	-64.8	155.9	179.1	25.6	-35.1	0	0	0	112.5	A188 A290 T293 A369 T370	A188-P365 HydrophobicContact CB-CG 3.39Å; A290-P365 HydrophobicContact CB-CB 3.9Å; T293-P365 HydrophobicContact CG2-CG 4.31Å; P365-A369 HydrophobicContact CB-CB 3.63Å; P365-T370 HydrophobicContact CB-CG2 4.37Å; P365-T370 HydrophobicContact CG-CG2 4.26Å; P365-T370 WeakPolarHBondContact O-CG2 3.23Å
366	T	88.2	Confident	89	Confident	119 Å²	119	57.8 Å²	57.8	73%	0.73	33%	0.331	S	S	*	.			trans	-125.2	163	175.3	59.7	0	0	0	0	111.1	N368 A369	T366-N368 PolarHBondContact O-N 3.44Å; T366-A369 PolarHBondContact O-N 3.45Å
367	G	83.7	Confident	88.9	Confident	51 Å²	51	56.1 Å²	56.1	53%	0.526	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	57.6	-136.1	179.1	0	0	0	0	0	112.6	A369 T370	G367-A369 PolarHBondContact O-N 3.35Å; G367-A369 VanDerWaalsContact O-N 3.12Å; G367-T370 PolarHBondContact O-N 2.94Å; G367-T370 VanDerWaalsContact O-N 3.09Å; G367-T370 PolarHBondContact O-OG1 3.04Å
368	N	76.1	Confident	88.9	Confident	158 Å²	158	58 Å²	58	85%	0.845	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-63.9	-19	-174.4	-65.8	-7.5	0	0	0	114	T366 T370 C371	T366-N368 PolarHBondContact O-N 3.44Å; N368-T370 PolarHBondContact O-N 3.47Å; N368-C371 PolarHBondContact O-N 2.85Å
369	A	76	Confident	88.8	Confident	28 Å²	28	52.7 Å²	52.7	23%	0.231	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-72.3	-8	176.8	0	0	0	0	0	113.3	V296 P365 T366 G367	V296-A369 HydrophobicContact CG2-CB 3.86Å; P365-A369 HydrophobicContact CB-CB 3.63Å; T366-A369 PolarHBondContact O-N 3.45Å; G367-A369 PolarHBondContact O-N 3.35Å; G367-A369 VanDerWaalsContact O-N 3.12Å
370	T	75.9	Confident	88.7	Confident	7 Å²	7	53.3 Å²	53.3	4%	0.043	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-85	-16.8	174.7	59.8	0	0	0	0	113.7	A188 Y364 P365 G367 N368 T372 H375 R376	A188-T370 PolarHBondContact N-O 2.76Å; Y364-T370 HydrophobicContact CE1-CG2 4.37Å; P365-T370 HydrophobicContact CB-CG2 4.37Å; P365-T370 HydrophobicContact CG-CG2 4.26Å; P365-T370 WeakPolarHBondContact O-CG2 3.23Å; G367-T370 PolarHBondContact O-N 2.94Å; G367-T370 VanDerWaalsContact O-N 3.09Å; G367-T370 PolarHBondContact O-OG1 3.04Å; N368-T370 PolarHBondContact O-N 3.47Å; T370-T372 PolarHBondContact O-N 2.97Å; T370-H375 WeakPolarHBondContact O-CB 3.4Å; T370-R376 HydrophobicContact CG2-CG 4.47Å
371	C	78.4	Confident	88.6	Confident	33 Å²	33	51.3 Å²	51.3	22%	0.223	30%	0.303	C	S	.	.			trans	82.1	-72	-169.6	-53.6	0	0	0	0	115.8	L186 G187 C295 N368	L186-C371 WeakPolarHBondContact O-CB 3.37Å; L186-C371 PolarHBondContact O-SG 3.17Å; G187-C371 WeakPolarHBondContact CA-SG 3.38Å; C295-C371 HydrophobicContact CB-CB 4.21Å; C295-C371 WeakPolarHBondContact CB-SG 3.26Å; C295-C371 WeakPolarHBondContact SG-CA 3.42Å; C295-C371 WeakPolarHBondContact SG-CB 3.31Å; C295-C371 CovalentContact SG-SG 1.98Å; C295-C371 PolarHBondContact SG-SG 3.37Å; N368-C371 PolarHBondContact O-N 2.85Å
372	T	82.2	Confident	88.6	Confident	30 Å²	30	50 Å²	50	18%	0.184	30%	0.298	C	S	.	.	S	Bend	trans	-134.7	170.7	-173.3	71.3	0	0	0	0	110.6	E85 T370 A374 H375	E85-T372 HydrophobicContact CG-CG2 4.39Å; T370-T372 PolarHBondContact O-N 2.97Å; T372-A374 PolarHBondContact O-N 2.95Å; T372-H375 PolarHBondContact O-N 3.34Å; T372-H375 VanDerWaalsContact O-N 3.12Å; T372-H375 PolarHBondContact OG1-CD2 3.44Å
373	A	87	Confident	88.5	Confident	27 Å²	27	45.7 Å²	45.7	22%	0.223	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-55.8	-36.6	177.4	0	0	0	0	0	113.8	E85 H375 R376 A379	E85-A373 WeakPolarHBondContact OE1-CB 3.49Å; E85-A373 PolarHBondContact OE1-N 3.33Å; A373-H375 PolarHBondContact O-N 3.29Å; A373-R376 PolarHBondContact O-N 3.34Å; A373-A379 VanDerWaalsContact O-CB 3.3Å; A373-A379 WeakPolarHBondContact O-CB 3.38Å
374	A	89.2	Confident	88.7	Confident	26 Å²	26	44.1 Å²	44.1	22%	0.215	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-68.1	-18	-178.8	0	0	0	0	0	113.7	P182 T372 N388	P182-A374 HydrophobicContact CB-CB 4Å; P182-A374 HydrophobicContact CG-CB 4Å; T372-A374 PolarHBondContact O-N 2.95Å; A374-N388 PolarHBondContact O-ND2 3.38Å
375	H	89.7	Confident	88.6	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-101.5	3.1	179.9	-65.8	-66.5	0	0	0	113.7	G183 H185 L186 A189 Y364 T370 T372 A373	G183-H375 PolarHBondContact O-CE1 3.1Å; G183-H375 PolarHBondContact O-ND1 2.84Å; H185-H375 PolarHBondContact O-CE1 3.01Å; H185-H375 PolarHBondContact O-NE2 3.27Å; L186-H375 PolarHBondContact O-NE2 2.94Å; A189-H375 HydrophobicContact CB-CB 4.4Å; A189-H375 PolarHBondContact N-ND1 3.27Å; Y364-H375 VanDerWaalsContact CE1-O 3.3Å; Y364-H375 WeakPolarHBondContact CE1-O 3.4Å; Y364-H375 PolarHBondContact OH-O 3.34Å; T370-H375 WeakPolarHBondContact O-CB 3.4Å; T372-H375 PolarHBondContact O-N 3.34Å; T372-H375 VanDerWaalsContact O-N 3.12Å; T372-H375 PolarHBondContact OG1-CD2 3.44Å; A373-H375 PolarHBondContact O-N 3.29Å
376	R	92.6	Very high	88.8	Confident	110 Å²	110	46.7 Å²	46.7	42%	0.415	28%	0.282	S	S	.	.	S	Bend	trans	-67.8	149.9	176.5	-64.5	-168.8	-60.9	-98.9	-8.7	110.5	T370 A373 D378 A379 N388	T370-R376 HydrophobicContact CG2-CG 4.47Å; A373-R376 PolarHBondContact O-N 3.34Å; R376-D378 WeakPolarHBondContact CB-OD1 3.15Å; R376-D378 IonicContact NE-OD1 3.3Å; R376-D378 PolarHBondContact O-N 3.27Å; R376-A379 HydrophobicContact CB-CB 4.31Å; R376-A379 WeakPolarHBondContact O-CB 3.28Å; R376-A379 PolarHBondContact O-N 3.09Å; R376-N388 WeakPolarHBondContact O-CB 3.27Å; R376-N388 PolarHBondContact O-ND2 3.45Å
377	A	95.4	Very high	89.1	Confident	27 Å²	27	44.4 Å²	44.4	22%	0.223	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-38.8	179.4	0	0	0	0	0	112.9	Y364 I389	Y364-A377 HydrophobicContact CD1-CB 3.55Å; Y364-A377 HydrophobicContact CE1-CB 3.97Å; Y364-A377 HydrophobicContact CG-CB 3.98Å; A377-I389 HydrophobicContact CB-CB 4.15Å; A377-I389 HydrophobicContact CB-CD1 4.4Å; A377-I389 WeakPolarHBondContact O-CB 3.34Å; A377-I389 WeakPolarHBondContact O-CG2 3.04Å; A377-I389 PolarHBondContact O-N 3.35Å; A377-I389 VanDerWaalsContact O-N 3.1Å
378	D	95.2	Very high	89.7	Confident	110 Å²	110	42 Å²	42	59%	0.588	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-2	-177.2	67.6	-30.5	0	0	0	114	R376	R376-D378 WeakPolarHBondContact CB-OD1 3.15Å; R376-D378 IonicContact NE-OD1 3.3Å; R376-D378 PolarHBondContact O-N 3.27Å
379	A	94.2	Very high	90.7	Very high	16 Å²	16	36.5 Å²	36.5	13%	0.132	21%	0.21	C	C	.	.	S	Bend	trans	-77.5	146.7	173.7	0	0	0	0	0	110.6	A373 R376 M381 L387 N388	A373-A379 VanDerWaalsContact O-CB 3.3Å; A373-A379 WeakPolarHBondContact O-CB 3.38Å; R376-A379 HydrophobicContact CB-CB 4.31Å; R376-A379 WeakPolarHBondContact O-CB 3.28Å; R376-A379 PolarHBondContact O-N 3.09Å; A379-M381 PolarHBondContact O-N 3.28Å; A379-L387 WeakPolarHBondContact O-CA 3.39Å; A379-N388 PolarHBondContact O-N 3.18Å
380	Q	94.8	Very high	91.6	Very high	102 Å²	102	38.8 Å²	38.8	48%	0.477	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-63.8	131.1	172	-176	177.6	-10.6	0	0	109.8	L382 F384	Q380-L382 VanDerWaalsContact C-N 3.3Å; Q380-L382 HydrophobicContact CG-CD2 4.05Å; Q380-L382 PolarHBondContact O-N 2.97Å; Q380-F384 WeakPolarHBondContact CG-O 3.31Å; Q380-F384 PolarHBondContact NE2-O 3.5Å
381	M	95.3	Very high	92.6	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	22%	0.216	C	C	.	.			trans	-77.2	79.2	174.7	-171.6	-165.4	-70.9	0	0	109.4	P192 W193 E196 A379 F384 I386 N388	P192-M381 HydrophobicContact CB-CE 4.06Å; W193-M381 HydrophobicContact CB-CG 4.35Å; W193-M381 HydrophobicContact CB-SD 4.36Å; W193-M381 HydrophobicContact CG-CG 4.24Å; W193-M381 HydrophobicContact CG-SD 4.49Å; E196-M381 HydrophobicContact CB-SD 3.84Å; E196-M381 HydrophobicContact CG-SD 4.32Å; A379-M381 PolarHBondContact O-N 3.28Å; M381-F384 HydrophobicContact CG-CD2 3.84Å; M381-F384 CarbonylContact O-C 3.55Å; M381-F384 VanDerWaalsContact O-CA 3.24Å; M381-F384 WeakPolarHBondContact O-CA 3.04Å; M381-F384 WeakPolarHBondContact O-CB 3.41Å; M381-F384 WeakPolarHBondContact O-CD2 3.4Å; M381-F384 PolarHBondContact O-N 2.91Å; M381-F384 VanDerWaalsContact O-O 3.13Å; M381-F384 HydrophobicContact SD-CD2 3.64Å; M381-F384 HydrophobicContact SD-CE2 4.15Å; M381-F384 HydrophobicContact SD-CG 4.5Å; M381-I386 HydrophobicContact CB-CG1 4.04Å; M381-I386 WeakPolarHBondContact CB-O 3.44Å; M381-I386 HydrophobicContact CE-CD1 3.91Å; M381-I386 HydrophobicContact CE-CG1 4.22Å; M381-I386 PolarHBondContact N-O 2.94Å; M381-I386 HydrophobicContact SD-CD1 3.9Å; M381-I386 HydrophobicContact SD-CG1 4.03Å; M381-N388 WeakPolarHBondContact CB-OD1 3.4Å
382	L	95	Very high	93.4	Very high	37 Å²	37	36.9 Å²	36.9	19%	0.194	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	141.9	-178.5	-65.7	173.8	0	0	0	112.2	P89 R180 S181 P182 W193 Q380 F384	P89-L382 HydrophobicContact CB-CD1 3.66Å; P89-L382 HydrophobicContact CG-CD1 3.59Å; R180-L382 WeakPolarHBondContact O-CB 3.27Å; S181-L382 PolarHBondContact OG-O 3.37Å; P182-L382 HydrophobicContact CG-CD1 4.38Å; W193-L382 PolarHBondContact NE1-O 3.41Å; Q380-L382 VanDerWaalsContact C-N 3.3Å; Q380-L382 HydrophobicContact CG-CD2 4.05Å; Q380-L382 PolarHBondContact O-N 2.97Å; L382-F384 VanDerWaalsContact C-N 3.34Å
383	P	95.2	Very high	94.1	Very high	8 Å²	8	36.4 Å²	36.4	5%	0.052	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	cis	-84.7	3.9	0.4	34.4	-40.6	0	0	0	114.2	P92 Y95 F104 M175 S181	P92-P383 HydrophobicContact CG-CB 3.73Å; Y95-P383 WeakPolarHBondContact OH-CB 3.43Å; F104-P383 HydrophobicContact CZ-CB 4.12Å; F104-P383 HydrophobicContact CZ-CG 4Å; F104-P383 WeakPolarHBondContact CZ-O 3.45Å; M175-P383 HydrophobicContact CB-CG 4.4Å; M175-P383 HydrophobicContact CE-CG 3.76Å; M175-P383 HydrophobicContact CG-CG 4.27Å; S181-P383 WeakPolarHBondContact OG-CD 3.36Å
384	F	95.4	Very high	94.6	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	20%	0.199	C	C	.	.	S	Bend	trans	-70.1	162.4	-179	-45	-75.9	0	0	0	111.5	F104 M175 W193 E196 Y197 L200 Q380 M381 L382 I386	F104-F384 AromaticContact CE2-CD1 4Å; F104-F384 HydrophobicContact CE2-CD1 4Å; F104-F384 HydrophobicContact CE2-CE1 4.16Å; F104-F384 HydrophobicContact CZ-CD1 4.08Å; M175-F384 HydrophobicContact CE-CE1 3.75Å; M175-F384 HydrophobicContact CE-CZ 4.04Å; W193-F384 HydrophobicContact CD2-CE2 4.28Å; W193-F384 AromaticContact CE2-CE2 3.7Å; W193-F384 HydrophobicContact CG-CE2 4.46Å; W193-F384 AromaticContact CZ2-CE2 3.98Å; W193-F384 HydrophobicContact CZ2-CE2 3.98Å; W193-F384 HydrophobicContact CZ2-CZ 4.31Å; W193-F384 AromaticContact NE1-CE2 3.64Å; E196-F384 HydrophobicContact CB-CD2 4.48Å; E196-F384 HydrophobicContact CB-CE2 4.3Å; E196-F384 HydrophobicContact CB-CZ 4.48Å; E196-F384 HydrophobicContact CG-CD1 3.79Å; E196-F384 HydrophobicContact CG-CD2 3.97Å; E196-F384 HydrophobicContact CG-CE1 3.87Å; E196-F384 HydrophobicContact CG-CE2 4.05Å; E196-F384 HydrophobicContact CG-CG 3.84Å; E196-F384 HydrophobicContact CG-CZ 4.01Å; Y197-F384 HydrophobicContact CD2-CZ 4.2Å; L200-F384 HydrophobicContact CD2-CE1 3.9Å; Q380-F384 WeakPolarHBondContact CG-O 3.31Å; Q380-F384 PolarHBondContact NE2-O 3.5Å; M381-F384 HydrophobicContact CG-CD2 3.84Å; M381-F384 CarbonylContact O-C 3.55Å; M381-F384 VanDerWaalsContact O-CA 3.24Å; M381-F384 WeakPolarHBondContact O-CA 3.04Å; M381-F384 WeakPolarHBondContact O-CB 3.41Å; M381-F384 WeakPolarHBondContact O-CD2 3.4Å; M381-F384 PolarHBondContact O-N 2.91Å; M381-F384 VanDerWaalsContact O-O 3.13Å; M381-F384 HydrophobicContact SD-CD2 3.64Å; M381-F384 HydrophobicContact SD-CE2 4.15Å; M381-F384 HydrophobicContact SD-CG 4.5Å; L382-F384 VanDerWaalsContact C-N 3.34Å; F384-I386 VanDerWaalsContact C-N 3.34Å; F384-I386 HydrophobicContact CB-CG1 4.19Å
385	S	90.5	Very high	94.8	Very high	81 Å²	81	37.7 Å²	37.7	57%	0.566	20%	0.201	S	C	*	.	S	Bend	trans	-94.2	14.9	-179.6	64	0	0	0	0	113.8
386	I	94	Very high	95.1	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.041	20%	0.204	C	C	.	.	S	Bend	trans	-105.7	166.5	179	66.2	176.6	0	0	0	110.9	E196 M381 F384 D390	E196-I386 HydrophobicContact CB-CD1 4.31Å; E196-I386 HydrophobicContact CG-CD1 4.01Å; M381-I386 HydrophobicContact CB-CG1 4.04Å; M381-I386 WeakPolarHBondContact CB-O 3.44Å; M381-I386 HydrophobicContact CE-CD1 3.91Å; M381-I386 HydrophobicContact CE-CG1 4.22Å; M381-I386 PolarHBondContact N-O 2.94Å; M381-I386 HydrophobicContact SD-CD1 3.9Å; M381-I386 HydrophobicContact SD-CG1 4.03Å; F384-I386 VanDerWaalsContact C-N 3.34Å; F384-I386 HydrophobicContact CB-CG1 4.19Å; I386-D390 HydrophobicContact CB-CB 4.03Å; I386-D390 HydrophobicContact CD1-CB 4.26Å; I386-D390 HydrophobicContact CG1-CB 4.48Å
387	L	96.1	Very high	95.3	Very high	71 Å²	71	34.2 Å²	34.2	37%	0.372	19%	0.191	S	C	.	.	B	Isolated β-bridge	trans	-84.5	158.5	170.8	-55.5	-177.7	0	0	0	110.6	A379 I389 D390	A379-L387 WeakPolarHBondContact O-CA 3.39Å; L387-I389 HydrophobicContact CB-CG2 4.01Å; L387-I389 PolarHBondContact O-N 2.77Å; L387-D390 WeakPolarHBondContact CB-OD2 3.32Å; L387-D390 PolarHBondContact N-OD2 3.21Å; L387-D390 WeakPolarHBondContact O-CB 3.48Å; L387-D390 PolarHBondContact O-N 3.11Å
388	N	95.7	Very high	95.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-57.7	-36.6	176.1	-73.7	-38.7	0	0	0	112.7	A189 Y364 A374 R376 A379 M381 D390 G391	A189-N388 HydrophobicContact CB-CB 4.23Å; A189-N388 WeakPolarHBondContact CB-OD1 3.41Å; Y364-N388 HydrophobicContact CE2-CB 4.44Å; A374-N388 PolarHBondContact O-ND2 3.38Å; R376-N388 WeakPolarHBondContact O-CB 3.27Å; R376-N388 PolarHBondContact O-ND2 3.45Å; A379-N388 PolarHBondContact O-N 3.18Å; M381-N388 WeakPolarHBondContact CB-OD1 3.4Å; N388-D390 VanDerWaalsContact C-N 3.28Å; N388-D390 PolarHBondContact O-N 3.03Å; N388-G391 PolarHBondContact O-N 2.87Å
389	I	96.3	Very high	95.1	Very high	43 Å²	43	36.8 Å²	36.8	22%	0.221	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-64.1	-31.3	176.8	-166.3	66.8	0	0	0	112.6	Y364 A377 L387 G391 M392	Y364-I389 VanDerWaalsContact CB-CD1 3.49Å; Y364-I389 HydrophobicContact CD2-CD1 3.82Å; Y364-I389 HydrophobicContact CG-CD1 3.86Å; A377-I389 HydrophobicContact CB-CB 4.15Å; A377-I389 HydrophobicContact CB-CD1 4.4Å; A377-I389 WeakPolarHBondContact O-CB 3.34Å; A377-I389 WeakPolarHBondContact O-CG2 3.04Å; A377-I389 PolarHBondContact O-N 3.35Å; A377-I389 VanDerWaalsContact O-N 3.1Å; L387-I389 HydrophobicContact CB-CG2 4.01Å; L387-I389 PolarHBondContact O-N 2.77Å; I389-G391 PolarHBondContact O-N 3.24Å; I389-M392 HydrophobicContact CD1-CG 4.08Å; I389-M392 WeakPolarHBondContact O-CB 3.48Å; I389-M392 WeakPolarHBondContact O-CG 3.47Å; I389-M392 PolarHBondContact O-N 3.02Å
390	D	95.8	Very high	95.1	Very high	75 Å²	75	36.4 Å²	36.4	40%	0.401	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-66.5	-27.7	-179.8	-60.9	-37.1	0	0	0	111.6	I386 L387 N388 M392 S393	I386-D390 HydrophobicContact CB-CB 4.03Å; I386-D390 HydrophobicContact CD1-CB 4.26Å; I386-D390 HydrophobicContact CG1-CB 4.48Å; L387-D390 WeakPolarHBondContact CB-OD2 3.32Å; L387-D390 PolarHBondContact N-OD2 3.21Å; L387-D390 WeakPolarHBondContact O-CB 3.48Å; L387-D390 PolarHBondContact O-N 3.11Å; N388-D390 VanDerWaalsContact C-N 3.28Å; N388-D390 PolarHBondContact O-N 3.03Å; D390-M392 PolarHBondContact O-N 3.12Å; D390-M392 VanDerWaalsContact O-N 3.17Å; D390-S393 VanDerWaalsContact O-CB 3.32Å; D390-S393 WeakPolarHBondContact O-CB 3.21Å; D390-S393 PolarHBondContact O-N 3.27Å
391	G	96	Very high	95.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-64.7	-12.8	172.9	0	0	0	0	0	113.9	R195 N388 I389 S393	R195-G391 WeakPolarHBondContact CD-O 3.47Å; N388-G391 PolarHBondContact O-N 2.87Å; I389-G391 PolarHBondContact O-N 3.24Å; G391-S393 PolarHBondContact O-N 3.01Å
392	M	95.8	Very high	95.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-77.8	-4.2	172.6	-58.3	-64.5	-69.1	0	0	112.4	P192 F289 W347 R351 S363 Y364 I389 D390	P192-M392 HydrophobicContact CB-SD 4.37Å; P192-M392 HydrophobicContact CG-SD 4.37Å; F289-M392 HydrophobicContact CD1-CE 4.2Å; F289-M392 HydrophobicContact CD2-CE 4.2Å; F289-M392 HydrophobicContact CE1-CE 4.29Å; F289-M392 HydrophobicContact CE1-SD 4.16Å; F289-M392 HydrophobicContact CE2-CE 4.27Å; F289-M392 HydrophobicContact CE2-SD 4.31Å; F289-M392 HydrophobicContact CG-CE 4.17Å; F289-M392 HydrophobicContact CZ-CE 4.32Å; F289-M392 HydrophobicContact CZ-SD 3.98Å; W347-M392 HydrophobicContact CH2-CE 4.45Å; W347-M392 HydrophobicContact CH2-SD 3.71Å; W347-M392 HydrophobicContact CZ2-CE 3.76Å; W347-M392 HydrophobicContact CZ2-SD 3.53Å; W347-M392 VanDerWaalsContact CZ2-SD 3.53Å; R351-M392 PolarHBondContact NH2-O 2.79Å; S363-M392 VanDerWaalsContact O-CE 3.31Å; S363-M392 WeakPolarHBondContact O-CE 3.49Å; Y364-M392 HydrophobicContact CD2-CG 3.92Å; Y364-M392 HydrophobicContact CD2-SD 4.04Å; Y364-M392 HydrophobicContact CE2-CG 4.45Å; Y364-M392 HydrophobicContact CE2-SD 4.38Å; I389-M392 HydrophobicContact CD1-CG 4.08Å; I389-M392 WeakPolarHBondContact O-CB 3.48Å; I389-M392 WeakPolarHBondContact O-CG 3.47Å; I389-M392 PolarHBondContact O-N 3.02Å; D390-M392 PolarHBondContact O-N 3.12Å; D390-M392 VanDerWaalsContact O-N 3.17Å
393	S	96.8	Very high	95.4	Very high	20 Å²	20	38.9 Å²	38.9	14%	0.14	19%	0.187	C	C	.	.			trans	-63.9	142.5	-165.2	-169.1	0	0	0	0	115.3	E361 D390 G391 E395 Y396	E361-S393 WeakPolarHBondContact OE2-CA 3.46Å; E361-S393 PolarHBondContact OE2-OG 2.8Å; D390-S393 VanDerWaalsContact O-CB 3.32Å; D390-S393 WeakPolarHBondContact O-CB 3.21Å; D390-S393 PolarHBondContact O-N 3.27Å; G391-S393 PolarHBondContact O-N 3.01Å; S393-E395 PolarHBondContact O-N 3.22Å; S393-E395 WeakPolarHBondContact OG-CB 3.27Å; S393-E395 WeakPolarHBondContact OG-CG 3.38Å; S393-E395 PolarHBondContact OG-N 2.87Å; S393-E395 VanDerWaalsContact OG-N 3.15Å; S393-Y396 WeakPolarHBondContact O-CD2 3.47Å
394	N	96.9	Very high	95.5	Very high	25 Å²	25	42.5 Å²	42.5	13%	0.134	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-15.1	167.2	-66.6	-56.1	0	0	0	111.7	R351 P357 R360 E361 Y396 T397 R398	R351-N394 PolarHBondContact NH2-OD1 3.17Å; P357-N394 PolarHBondContact O-ND2 3.43Å; R360-N394 WeakPolarHBondContact CB-OD1 3.33Å; R360-N394 VanDerWaalsContact CD-OD1 3.28Å; R360-N394 WeakPolarHBondContact CD-OD1 3.5Å; E361-N394 WeakPolarHBondContact CG-ND2 3.39Å; E361-N394 WeakPolarHBondContact OE1-CA 3.36Å; E361-N394 WeakPolarHBondContact OE1-CB 3.21Å; E361-N394 PolarHBondContact OE1-N 3.09Å; E361-N394 PolarHBondContact OE1-ND2 3.5Å; N394-Y396 PolarHBondContact O-N 2.78Å; N394-T397 PolarHBondContact O-N 3.09Å; N394-T397 PolarHBondContact O-OG1 2.78Å; N394-R398 VanDerWaalsContact O-CB 3.29Å; N394-R398 WeakPolarHBondContact O-CB 3.26Å; N394-R398 PolarHBondContact O-N 2.85Å
395	E	94.6	Very high	95.5	Very high	56 Å²	56	44.5 Å²	44.5	26%	0.262	23%	0.225	S	C	.	.	H	α-helix	trans	-59.7	-31.9	177.7	-65.8	-51.1	129.4	0	0	113.1	S393 T397 R398 I399	S393-E395 PolarHBondContact O-N 3.22Å; S393-E395 WeakPolarHBondContact OG-CB 3.27Å; S393-E395 WeakPolarHBondContact OG-CG 3.38Å; S393-E395 PolarHBondContact OG-N 2.87Å; S393-E395 VanDerWaalsContact OG-N 3.15Å; E395-T397 PolarHBondContact O-N 2.87Å; E395-R398 VanDerWaalsContact CD-CZ 3.46Å; E395-R398 PolarHBondContact O-N 2.82Å; E395-R398 IonicContact OE1-CZ 2.6Å; E395-R398 IonicContact OE1-NE 3.2Å; E395-R398 PolarHBondContact OE1-NE 2.99Å; E395-R398 IonicContact OE1-NH2 2.81Å; E395-R398 PolarHBondContact OE1-NH2 3.32Å; E395-R398 IonicContact OE2-CZ 2.63Å; E395-R398 IonicContact OE2-NE 3.51Å; E395-R398 PolarHBondContact OE2-NE 3.13Å; E395-R398 IonicContact OE2-NH1 3.06Å; E395-R398 IonicContact OE2-NH2 3.89Å; E395-R398 PolarHBondContact OE2-NH2 2.98Å; E395-I399 WeakPolarHBondContact O-CB 3.11Å; E395-I399 PolarHBondContact O-N 3.4Å; E395-I399 WeakPolarHBondContact OE2-CD1 3.3Å; E395-I399 VanDerWaalsContact OE2-CG1 3.31Å; E395-I399 WeakPolarHBondContact OE2-CG1 3.41Å
396	Y	96	Very high	95.7	Very high	14 Å²	14	42 Å²	42	6%	0.055	21%	0.207	C	C	.	.	I	π-helix	trans	-54.5	-50.7	174.9	-74.3	-77.6	0	0	0	112	R195 E196 R199 S393 N394 F400 Y401	R195-Y396 HydrophobicContact CG-CD1 3.81Å; R195-Y396 HydrophobicContact CG-CD2 4.01Å; R195-Y396 HydrophobicContact CG-CE1 4.04Å; R195-Y396 HydrophobicContact CG-CE2 4.25Å; R195-Y396 HydrophobicContact CG-CG 3.8Å; E196-Y396 WeakPolarHBondContact OE2-CE1 2.93Å; E196-Y396 PolarHBondContact OE2-OH 3.1Å; R199-Y396 HydrophobicContact CB-CD1 4.02Å; R199-Y396 HydrophobicContact CB-CE1 3.92Å; R199-Y396 HydrophobicContact CG-CD1 4.04Å; R199-Y396 HydrophobicContact CG-CE1 3.98Å; S393-Y396 WeakPolarHBondContact O-CD2 3.47Å; N394-Y396 PolarHBondContact O-N 2.78Å; Y396-F400 WeakPolarHBondContact O-CB 3.27Å; Y396-F400 PolarHBondContact O-N 3.43Å; Y396-F400 VanDerWaalsContact O-N 3.09Å; Y396-Y401 HydrophobicContact CD1-CE1 4.22Å; Y396-Y401 PolarHBondContact O-N 2.54Å; Y396-Y401 VanDerWaalsContact O-N 3.1Å
397	T	96	Very high	95.9	Very high	24 Å²	24	42.4 Å²	42.4	15%	0.147	21%	0.21	C	C	.	.	I	π-helix	trans	-88.7	-10.8	-177.4	55.5	0	0	0	0	113.9	E348 N394 E395 Y401	E348-T397 HydrophobicContact CG-CG2 3.94Å; E348-T397 PolarHBondContact OE1-OG1 3.29Å; E348-T397 VanDerWaalsContact OE1-OG1 3.11Å; N394-T397 PolarHBondContact O-N 3.09Å; N394-T397 PolarHBondContact O-OG1 2.78Å; E395-T397 PolarHBondContact O-N 2.87Å; T397-Y401 CarbonylContact C-O 3.56Å; T397-Y401 VanDerWaalsContact C-O 3.31Å; T397-Y401 WeakPolarHBondContact CA-O 3.3Å; T397-Y401 HydrophobicContact CG2-CD2 4.19Å; T397-Y401 HydrophobicContact CG2-CE2 3.63Å
398	R	93	Very high	95.9	Very high	151 Å²	151	44.4 Å²	44.4	57%	0.57	23%	0.225	S	C	*	.	I	π-helix	trans	-87.4	-43.3	174.6	-168	168.3	71.8	80.3	-9.9	112.7	N394 E395	N394-R398 VanDerWaalsContact O-CB 3.29Å; N394-R398 WeakPolarHBondContact O-CB 3.26Å; N394-R398 PolarHBondContact O-N 2.85Å; E395-R398 VanDerWaalsContact CD-CZ 3.46Å; E395-R398 PolarHBondContact O-N 2.82Å; E395-R398 IonicContact OE1-CZ 2.6Å; E395-R398 IonicContact OE1-NE 3.2Å; E395-R398 PolarHBondContact OE1-NE 2.99Å; E395-R398 IonicContact OE1-NH2 2.81Å; E395-R398 PolarHBondContact OE1-NH2 3.32Å; E395-R398 IonicContact OE2-CZ 2.63Å; E395-R398 IonicContact OE2-NE 3.51Å; E395-R398 PolarHBondContact OE2-NE 3.13Å; E395-R398 IonicContact OE2-NH1 3.06Å; E395-R398 IonicContact OE2-NH2 3.89Å; E395-R398 PolarHBondContact OE2-NH2 2.98Å
399	I	92.6	Very high	96	Very high	39 Å²	39	45.2 Å²	45.2	20%	0.2	23%	0.231	C	C	.	.	I	π-helix	trans	-104.3	-47.4	-172.3	-65.3	-174.9	0	0	0	112	L113 P135 E395	L113-I399 WeakPolarHBondContact CD1-O 3.44Å; L113-I399 HydrophobicContact CG-CG2 4.33Å; L113-I399 WeakPolarHBondContact CG-O 3.48Å; P135-I399 WeakPolarHBondContact CG-O 3.49Å; E395-I399 WeakPolarHBondContact O-CB 3.11Å; E395-I399 PolarHBondContact O-N 3.4Å; E395-I399 WeakPolarHBondContact OE2-CD1 3.3Å; E395-I399 VanDerWaalsContact OE2-CG1 3.31Å; E395-I399 WeakPolarHBondContact OE2-CG1 3.41Å
400	F	94.2	Very high	96.1	Very high	9 Å²	9	45 Å²	45	4%	0.039	23%	0.233	C	C	.	.	I	π-helix	trans	-90.8	-47.4	-164.6	-69.4	-81.6	0	0	0	113.5	L113 P135 A136 R199 Y396	L113-F400 HydrophobicContact CD2-CD1 3.87Å; L113-F400 HydrophobicContact CD2-CE1 4.46Å; P135-F400 CarbonylContact C-O 3.31Å; P135-F400 VanDerWaalsContact CA-O 3.28Å; P135-F400 WeakPolarHBondContact CA-O 3.48Å; A136-F400 PolarHBondContact N-O 3.13Å; R199-F400 HydrophobicContact CG-CB 4.31Å; R199-F400 HydrophobicContact CG-CD1 4.07Å; R199-F400 HydrophobicContact CG-CD2 4.4Å; R199-F400 HydrophobicContact CG-CG 4Å; Y396-F400 WeakPolarHBondContact O-CB 3.27Å; Y396-F400 PolarHBondContact O-N 3.43Å; Y396-F400 VanDerWaalsContact O-N 3.09Å
401	Y	96.8	Very high	96.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	168.2	-176.6	57.5	-96.7	0	0	0	113	A136 R138 R195 R199 D344 Y396 T397 Y403	A136-Y401 CarbonylContact O-C 3.47Å; A136-Y401 WeakPolarHBondContact O-CA 3.24Å; A136-Y401 WeakPolarHBondContact O-CB 3.42Å; R138-Y401 VanDerWaalsContact NH2-CD1 3.28Å; R195-Y401 WeakPolarHBondContact CG-OH 2.92Å; R195-Y401 PolarHBondContact NE-OH 2.99Å; R199-Y401 HydrophobicContact CB-CE1 4.38Å; D344-Y401 PolarHBondContact OD2-OH 2.96Å; D344-Y401 VanDerWaalsContact OD2-OH 3.13Å; Y396-Y401 HydrophobicContact CD1-CE1 4.22Å; Y396-Y401 PolarHBondContact O-N 2.54Å; Y396-Y401 VanDerWaalsContact O-N 3.1Å; T397-Y401 CarbonylContact C-O 3.56Å; T397-Y401 VanDerWaalsContact C-O 3.31Å; T397-Y401 WeakPolarHBondContact CA-O 3.3Å; T397-Y401 HydrophobicContact CG2-CD2 4.19Å; T397-Y401 HydrophobicContact CG2-CE2 3.63Å; Y401-Y403 HydrophobicContact CD2-CE2 4.07Å; Y401-Y403 HydrophobicContact CE2-CD2 4.49Å; Y401-Y403 AromaticContact CE2-CE2 3.66Å; Y401-Y403 HydrophobicContact CE2-CE2 3.66Å; Y401-Y403 AromaticContact CE2-CZ 3.98Å
402	R	97.2	Very high	96.2	Very high	148 Å²	148	55.2 Å²	55.2	56%	0.558	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.9	152.6	172.3	-62.4	-178.5	-178.6	-150	-1.3	109.1	P135 A136 L137 R138	P135-R402 HydrophobicContact CB-CG 4.27Å; A136-R402 PolarHBondContact O-N 3.33Å; L137-R402 HydrophobicContact CD1-CB 4.41Å; R138-R402 PolarHBondContact N-O 2.91Å
403	Y	98.2	Very high	96.2	Very high	43 Å²	43	59.3 Å²	59.3	17%	0.169	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	132.7	174.5	-72.5	-68.4	0	0	0	111.7	R138 Y216 T341 D344 R345 E348 Y401	R138-Y403 HydrophobicContact CB-CD1 3.59Å; R138-Y403 HydrophobicContact CB-CE1 3.59Å; R138-Y403 VanDerWaalsContact CD-CE1 3.44Å; R138-Y403 HydrophobicContact CG-CE1 4.14Å; R138-Y403 PolarHBondContact NH1-OH 3.42Å; Y216-Y403 HydrophobicContact CD1-CD1 4.16Å; Y216-Y403 HydrophobicContact CD1-CE1 4.41Å; Y216-Y403 HydrophobicContact CE1-CD1 4.28Å; T341-Y403 HydrophobicContact CG2-CE1 3.83Å; T341-Y403 PolarHBondContact O-OH 2.5Å; D344-Y403 WeakPolarHBondContact CB-OH 3.1Å; D344-Y403 WeakPolarHBondContact OD2-CE2 3.39Å; D344-Y403 PolarHBondContact OD2-OH 3.21Å; R345-Y403 HydrophobicContact CB-CD1 3.66Å; R345-Y403 HydrophobicContact CB-CD2 4.22Å; R345-Y403 HydrophobicContact CB-CE1 3.62Å; R345-Y403 HydrophobicContact CB-CE2 4.17Å; R345-Y403 HydrophobicContact CB-CG 3.99Å; R345-Y403 HydrophobicContact CG-CD1 3.75Å; R345-Y403 HydrophobicContact CG-CD2 4.29Å; R345-Y403 HydrophobicContact CG-CE1 4.25Å; R345-Y403 HydrophobicContact CG-CG 3.79Å; E348-Y403 HydrophobicContact CB-CD2 4.2Å; E348-Y403 HydrophobicContact CB-CE2 4.21Å; E348-Y403 HydrophobicContact CG-CD2 4.24Å; Y401-Y403 HydrophobicContact CD2-CE2 4.07Å; Y401-Y403 HydrophobicContact CE2-CD2 4.49Å; Y401-Y403 AromaticContact CE2-CE2 3.66Å; Y401-Y403 HydrophobicContact CE2-CE2 3.66Å; Y401-Y403 AromaticContact CE2-CZ 3.98Å
404	Q	97.5	Very high	96.2	Very high	85 Å²	85	61.5 Å²	61.5	40%	0.397	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-80.4	142	155.3	-171	171.9	-32.6	0	0	108.9	L137 R138 R139 Y216 R345	L137-Q404 HydrophobicContact CD1-CB 4.25Å; R138-Q404 PolarHBondContact O-N 2.85Å; R139-Q404 HydrophobicContact CG-CB 3.77Å; R139-Q404 HydrophobicContact CG-CG 4.47Å; R139-Q404 VanDerWaalsContact CG-OE1 3.27Å; Y216-Q404 WeakPolarHBondContact CE1-O 3.39Å; Y216-Q404 PolarHBondContact OH-O 3.48Å; R345-Q404 PolarHBondContact NE-O 3.16Å
405	G	95.6	Very high	96.1	Very high	43 Å²	43	64 Å²	64	44%	0.443	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-61.5	156.3	173	0	0	0	0	0	112.6	Y216	Y216-G405 PolarHBondContact OH-O 3.49Å; Y216-G405 VanDerWaalsContact OH-O 3.14Å
406	S	95.8	Very high	96.3	Very high	28 Å²	28	61.8 Å²	61.8	20%	0.196	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-55.6	146	172.1	-59	0	0	0	0	110.5	Y216 D218 R345 T408	Y216-S406 PolarHBondContact OH-N 3.4Å; D218-S406 WeakPolarHBondContact OD2-CB 3.35Å; D218-S406 PolarHBondContact OD2-OG 2.84Å; R345-S406 VanDerWaalsContact CZ-OG 3.26Å; R345-S406 PolarHBondContact NH1-OG 3.25Å; R345-S406 VanDerWaalsContact NH1-OG 3.08Å; R345-S406 PolarHBondContact NH2-OG 3.47Å; S406-T408 PolarHBondContact O-N 3.33Å
407	P	97.3	Very high	96.2	Very high	17 Å²	17	64.5 Å²	64.5	11%	0.11	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-60.9	136.1	178	24.3	-31.9	0	0	0	110.5	E140 T143 L221 C416 L421 C430	E140-P407 HydrophobicContact CG-CG 4.45Å; T143-P407 HydrophobicContact CG2-CB 4.11Å; T143-P407 HydrophobicContact CG2-CG 4.03Å; L221-P407 HydrophobicContact CD1-CG 3.73Å; L221-P407 HydrophobicContact CD2-CG 4.4Å; P407-C416 HydrophobicContact CB-CB 4.48Å; P407-L421 HydrophobicContact CB-CD1 3.91Å; P407-L421 HydrophobicContact CG-CD1 3.36Å; P407-C430 HydrophobicContact CB-CB 4.46Å; P407-C430 WeakPolarHBondContact O-CB 2.97Å
408	T	97.1	Very high	96.3	Very high	113 Å²	113	64 Å²	64	69%	0.693	35%	0.351	S	S	*	.			trans	-130.5	158.6	178.1	53.5	0	0	0	0	109.3	S406	S406-T408 PolarHBondContact O-N 3.33Å
409	C	97.8	Very high	96.5	Very high	16 Å²	16	60.8 Å²	60.8	11%	0.108	35%	0.349	C	S	.	.			trans	-137.8	162.7	173.9	65.5	0	0	0	0	109.9	N413 T415 C423	C409-N413 WeakPolarHBondContact CB-O 3.42Å; C409-T415 WeakPolarHBondContact CB-O 3.35Å; C409-C423 HydrophobicContact CB-CB 3.59Å; C409-C423 WeakPolarHBondContact CB-SG 3.37Å; C409-C423 VanDerWaalsContact SG-CA 3.55Å; C409-C423 WeakPolarHBondContact SG-CB 3.47Å; C409-C423 CovalentContact SG-SG 2.03Å; C409-C423 PolarHBondContact SG-SG 3.13Å
410	S	97.9	Very high	96.7	Very high	40 Å²	40	59.2 Å²	59.2	28%	0.28	34%	0.341	S	S	.	.			trans	-142.5	178.6	179.4	78.4	0	0	0	0	111	E412 N413 P414 Y428	S410-E412 VanDerWaalsContact C-N 3.28Å; S410-E412 WeakPolarHBondContact CB-OE2 3.41Å; S410-E412 PolarHBondContact O-N 3.49Å; S410-E412 PolarHBondContact OG-N 3.47Å; S410-E412 PolarHBondContact OG-OE2 2.91Å; S410-N413 PolarHBondContact N-O 3.1Å; S410-N413 CarbonylContact O-C 3.57Å; S410-N413 PolarHBondContact O-N 3.44Å; S410-N413 PolarHBondContact OG-N 3.18Å; S410-P414 VanDerWaalsContact O-CA 3.28Å; S410-P414 WeakPolarHBondContact O-CA 3.18Å; S410-P414 VanDerWaalsContact O-N 3.14Å; S410-Y428 WeakPolarHBondContact O-CD1 3.4Å
411	H	96.5	Very high	96.9	Very high	131 Å²	131	59 Å²	59	61%	0.606	34%	0.34	S	S	*	.	S	Bend	trans	-60	-39.7	172	175.1	-85.6	0	0	0	111.7	Y428	H411-Y428 HydrophobicContact CB-CE1 3.95Å; H411-Y428 HydrophobicContact CB-CE2 4.1Å; H411-Y428 PolarHBondContact CD2-OH 3.36Å; H411-Y428 VanDerWaalsContact CD2-OH 3.23Å
412	E	96.4	Very high	97	Very high	158 Å²	158	59.2 Å²	59.2	74%	0.738	34%	0.341	S	S	*	.	S	Bend	trans	-74.8	-30.3	179.7	-55.4	73.1	-157	0	0	112.9	S410	S410-E412 VanDerWaalsContact C-N 3.28Å; S410-E412 WeakPolarHBondContact CB-OE2 3.41Å; S410-E412 PolarHBondContact O-N 3.49Å; S410-E412 PolarHBondContact OG-N 3.47Å; S410-E412 PolarHBondContact OG-OE2 2.91Å
413	N	96.5	Very high	97	Very high	86 Å²	86	52.8 Å²	52.8	46%	0.46	32%	0.319	S	S	.	.			trans	-132.3	83.8	175.2	-178.3	23.1	0	0	0	110.3	C409 S410 T415	C409-N413 WeakPolarHBondContact CB-O 3.42Å; S410-N413 PolarHBondContact N-O 3.1Å; S410-N413 CarbonylContact O-C 3.57Å; S410-N413 PolarHBondContact O-N 3.44Å; S410-N413 PolarHBondContact OG-N 3.18Å; N413-T415 PolarHBondContact O-N 3.18Å; N413-T415 PolarHBondContact OD1-OG1 2.75Å
414	P	96.3	Very high	97	Very high	66 Å²	66	51 Å²	51	43%	0.429	31%	0.312	S	S	.	.			trans	-80.6	38.2	-175.3	34.6	-37.4	0	0	0	112.2	S410 C423 T425	S410-P414 VanDerWaalsContact O-CA 3.28Å; S410-P414 WeakPolarHBondContact O-CA 3.18Å; S410-P414 VanDerWaalsContact O-N 3.14Å; P414-C423 VanDerWaalsContact O-CB 3.24Å; P414-C423 WeakPolarHBondContact O-CB 3.4Å; P414-T425 HydrophobicContact CB-CG2 4.29Å
415	T	96.1	Very high	96.9	Very high	76 Å²	76	49.8 Å²	49.8	47%	0.466	31%	0.31	S	S	.	.			trans	-132.6	149.6	178.2	76	0	0	0	0	110.3	C409 N413	C409-T415 WeakPolarHBondContact CB-O 3.35Å; N413-T415 PolarHBondContact O-N 3.18Å; N413-T415 PolarHBondContact OD1-OG1 2.75Å
416	C	97.4	Very high	96.9	Very high	11 Å²	11	53.5 Å²	53.5	7%	0.074	31%	0.311	C	S	.	.			trans	-96.7	8.3	-179.7	-65.5	0	0	0	0	113.5	P407 S418 L421 F422 C430	P407-C416 HydrophobicContact CB-CB 4.48Å; C416-S418 PolarHBondContact O-N 3.3Å; C416-L421 HydrophobicContact CB-CB 3.69Å; C416-L421 HydrophobicContact CB-CD1 4.35Å; C416-F422 PolarHBondContact SG-O 3.09Å; C416-F422 VanDerWaalsContact SG-O 3.32Å; C416-C430 VanDerWaalsContact CA-SG 3.55Å; C416-C430 HydrophobicContact CB-CB 3.91Å; C416-C430 WeakPolarHBondContact CB-SG 3.41Å; C416-C430 WeakPolarHBondContact SG-CA 3.41Å; C416-C430 WeakPolarHBondContact SG-CB 3.03Å; C416-C430 CovalentContact SG-SG 2.03Å; C416-C430 PolarHBondContact SG-SG 3.21Å
417	G	95.1	Very high	96.8	Very high	71 Å²	71	59.6 Å²	59.6	73%	0.732	33%	0.334	S	S	*	.	S	Bend	trans	68.1	15.6	-178	0	0	0	0	0	115
418	S	97.4	Very high	96.7	Very high	14 Å²	14	63.3 Å²	63.3	10%	0.098	35%	0.347	C	S	.	.	S	Bend	trans	-146.1	139.8	179.7	167.8	0	0	0	0	110.5	R142 C416 Y420 L421	R142-S418 VanDerWaalsContact O-CB 3.32Å; R142-S418 WeakPolarHBondContact O-CB 3.44Å; R142-S418 PolarHBondContact O-OG 3Å; C416-S418 PolarHBondContact O-N 3.3Å; S418-Y420 PolarHBondContact O-N 2.02Å; S418-Y420 WeakPolarHBondContact OG-CB 3.09Å; S418-Y420 WeakPolarHBondContact OG-CD2 3.44Å; S418-Y420 PolarHBondContact OG-N 3.07Å; S418-L421 PolarHBondContact O-N 3.26Å
419	P	96.7	Very high	96.7	Very high	82 Å²	82	61.7 Å²	61.7	53%	0.532	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-8.9	173.6	32	-35.3	0	0	0	113.3	K433	P419-K433 WeakPolarHBondContact O-CD 3.28Å; P419-K433 WeakPolarHBondContact O-CE 3.31Å
420	Y	98.2	Very high	96.7	Very high	7 Å²	7	61 Å²	61	3%	0.027	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-3.9	-178	-52.9	-75.2	0	0	0	112.9	R142 D146 R149 I232 E237 F238 S418 K433 Y450	R142-Y420 WeakPolarHBondContact O-CD2 3.33Å; D146-Y420 PolarHBondContact OD1-OH 3.19Å; R149-Y420 PolarHBondContact NH1-OH 3.14Å; I232-Y420 HydrophobicContact CG1-CD1 4.04Å; E237-Y420 WeakPolarHBondContact OE2-CE1 3.35Å; F238-Y420 AromaticContact CE2-CD1 3.59Å; F238-Y420 HydrophobicContact CE2-CD1 3.59Å; F238-Y420 AromaticContact CE2-CE1 3.64Å; F238-Y420 HydrophobicContact CE2-CE1 3.64Å; F238-Y420 HydrophobicContact CE2-CG 4.08Å; F238-Y420 AromaticContact CZ-CD1 3.7Å; F238-Y420 HydrophobicContact CZ-CD1 3.7Å; F238-Y420 HydrophobicContact CZ-CD2 4Å; F238-Y420 AromaticContact CZ-CE1 3.98Å; F238-Y420 HydrophobicContact CZ-CE1 3.98Å; F238-Y420 HydrophobicContact CZ-CE2 4.34Å; F238-Y420 AromaticContact CZ-CG 3.67Å; F238-Y420 HydrophobicContact CZ-CG 3.67Å; S418-Y420 PolarHBondContact O-N 2.02Å; S418-Y420 WeakPolarHBondContact OG-CB 3.09Å; S418-Y420 WeakPolarHBondContact OG-CD2 3.44Å; S418-Y420 PolarHBondContact OG-N 3.07Å; Y420-K433 WeakPolarHBondContact O-CB 3.48Å; Y420-K433 PolarHBondContact O-N 3.24Å; Y420-Y450 HydrophobicContact CD1-CD2 4.05Å; Y420-Y450 AromaticContact CD1-CE2 3.48Å; Y420-Y450 HydrophobicContact CD1-CE2 3.48Å; Y420-Y450 VanDerWaalsContact CD1-CE2 3.48Å; Y420-Y450 AromaticContact CD1-CZ 3.92Å; Y420-Y450 HydrophobicContact CE1-CD2 4.49Å; Y420-Y450 AromaticContact CE1-CE2 3.53Å; Y420-Y450 HydrophobicContact CE1-CE2 3.53Å; Y420-Y450 AromaticContact CE1-CZ 3.56Å; Y420-Y450 VanDerWaalsContact CE1-OH 3.31Å; Y420-Y450 WeakPolarHBondContact CE1-OH 3.38Å
421	L	98.4	Very high	96.7	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	153.4	174.5	-58.4	176	0	0	0	108.2	R142 T143 L221 P407 C416 S418 V431	R142-L421 HydrophobicContact CB-CD1 4.45Å; R142-L421 HydrophobicContact CB-CD2 4.13Å; R142-L421 HydrophobicContact CB-CG 4.11Å; T143-L421 HydrophobicContact CG2-CD1 4.1Å; L221-L421 HydrophobicContact CD1-CD1 4.08Å; L221-L421 HydrophobicContact CD1-CD2 4.01Å; P407-L421 HydrophobicContact CB-CD1 3.91Å; P407-L421 HydrophobicContact CG-CD1 3.36Å; C416-L421 HydrophobicContact CB-CB 3.69Å; C416-L421 HydrophobicContact CB-CD1 4.35Å; S418-L421 PolarHBondContact O-N 3.26Å; L421-V431 CarbonylContact C-O 3.47Å; L421-V431 WeakPolarHBondContact CA-O 3.3Å
422	F	97.7	Very high	96.8	Very high	5 Å²	5	53 Å²	53	2%	0.022	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	155.9	170.8	78	-75.8	0	0	0	110.5	C416 D424 C430 V431 S432 K433 Y443 L446 D447 I448	C416-F422 PolarHBondContact SG-O 3.09Å; C416-F422 VanDerWaalsContact SG-O 3.32Å; F422-D424 HydrophobicContact CE2-CB 4.15Å; F422-C430 WeakPolarHBondContact O-CA 3.42Å; F422-V431 HydrophobicContact CD1-CB 4.13Å; F422-V431 WeakPolarHBondContact CD1-O 3.31Å; F422-V431 HydrophobicContact CE1-CB 3.54Å; F422-V431 HydrophobicContact CE1-CG1 3.67Å; F422-V431 HydrophobicContact CZ-CB 3.86Å; F422-V431 HydrophobicContact CZ-CG1 4.06Å; F422-V431 PolarHBondContact N-O 2.79Å; F422-V431 PolarHBondContact O-N 2.96Å; F422-S432 WeakPolarHBondContact CE1-O 3.19Å; F422-K433 HydrophobicContact CB-CG 4.35Å; F422-K433 HydrophobicContact CD1-CG 4.16Å; F422-Y443 HydrophobicContact CE2-CD1 4.04Å; F422-Y443 HydrophobicContact CE2-CE1 4.28Å; F422-Y443 AromaticContact CZ-CD1 3.65Å; F422-Y443 HydrophobicContact CZ-CD1 3.65Å; F422-Y443 AromaticContact CZ-CE1 3.72Å; F422-Y443 HydrophobicContact CZ-CE1 3.72Å; F422-L446 HydrophobicContact CE2-CB 4.23Å; F422-D447 HydrophobicContact CB-CB 4.31Å; F422-D447 WeakPolarHBondContact CB-O 3.32Å; F422-D447 WeakPolarHBondContact CG-O 3.4Å; F422-I448 HydrophobicContact CD1-CB 4.33Å; F422-I448 HydrophobicContact CD1-CG1 4.48Å; F422-I448 HydrophobicContact CE1-CB 3.75Å; F422-I448 HydrophobicContact CE1-CD1 4.27Å; F422-I448 HydrophobicContact CE1-CG1 3.66Å; F422-I448 HydrophobicContact CE2-CB 4.23Å; F422-I448 HydrophobicContact CZ-CB 3.69Å; F422-I448 HydrophobicContact CZ-CD1 4.18Å; F422-I448 HydrophobicContact CZ-CG1 3.89Å
423	C	98	Very high	96.9	Very high	13 Å²	13	46.2 Å²	46.2	9%	0.088	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	115	172.6	-174	0	0	0	0	108.9	C409 P414 T425	C409-C423 HydrophobicContact CB-CB 3.59Å; C409-C423 WeakPolarHBondContact CB-SG 3.37Å; C409-C423 VanDerWaalsContact SG-CA 3.55Å; C409-C423 WeakPolarHBondContact SG-CB 3.47Å; C409-C423 CovalentContact SG-SG 2.03Å; C409-C423 PolarHBondContact SG-SG 3.13Å; P414-C423 VanDerWaalsContact O-CB 3.24Å; P414-C423 WeakPolarHBondContact O-CB 3.4Å; C423-T425 PolarHBondContact O-N 3.13Å
424	D	97	Very high	97	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	97.7	165.4	-174	-17.4	0	0	0	108.3	F422 R426 F427 Y428 R429 V431 Y443	F422-D424 HydrophobicContact CE2-CB 4.15Å; D424-R426 PolarHBondContact O-N 3.47Å; D424-R426 VanDerWaalsContact O-N 3.15Å; D424-R426 VanDerWaalsContact OD1-CB 3.29Å; D424-R426 WeakPolarHBondContact OD1-CB 3.18Å; D424-R426 WeakPolarHBondContact OD1-CG 3.24Å; D424-R426 IonicContact OD1-CZ 3.71Å; D424-R426 PolarHBondContact OD1-N 3.37Å; D424-R426 VanDerWaalsContact OD1-N 3.13Å; D424-R426 IonicContact OD1-NE 2.78Å; D424-R426 PolarHBondContact OD1-NE 3.12Å; D424-R426 IonicContact OD1-NH2 3.67Å; D424-R426 IonicContact OD2-CZ 3.48Å; D424-R426 IonicContact OD2-NE 2.7Å; D424-R426 PolarHBondContact OD2-NE 2.92Å; D424-R426 IonicContact OD2-NH2 2.74Å; D424-R426 PolarHBondContact OD2-NH2 3.24Å; D424-F427 PolarHBondContact O-N 2.71Å; D424-Y428 VanDerWaalsContact O-CA 3.29Å; D424-Y428 WeakPolarHBondContact O-CA 3.45Å; D424-Y428 PolarHBondContact O-N 2.8Å; D424-R429 PolarHBondContact N-O 3.02Å; D424-R429 PolarHBondContact O-N 3.04Å; D424-V431 HydrophobicContact CB-CG2 4.11Å; D424-Y443 WeakPolarHBondContact OD2-CE1 3.35Å
425	T	95.9	Very high	97	Very high	60 Å²	60	40.7 Å²	40.7	37%	0.368	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-7.8	-174.6	53.1	0	0	0	0	113.9	P414 C423 F427 Y428	P414-T425 HydrophobicContact CB-CG2 4.29Å; C423-T425 PolarHBondContact O-N 3.13Å; T425-F427 VanDerWaalsContact C-N 3.34Å; T425-Y428 HydrophobicContact CG2-CE1 4.35Å
426	R	94.9	Very high	97.1	Very high	121 Å²	121	44.1 Å²	44.1	46%	0.457	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-32.9	173.2	-57	173.6	-65.3	-172.9	0.7	111.6	D424 G442 Y443	D424-R426 PolarHBondContact O-N 3.47Å; D424-R426 VanDerWaalsContact O-N 3.15Å; D424-R426 VanDerWaalsContact OD1-CB 3.29Å; D424-R426 WeakPolarHBondContact OD1-CB 3.18Å; D424-R426 WeakPolarHBondContact OD1-CG 3.24Å; D424-R426 IonicContact OD1-CZ 3.71Å; D424-R426 PolarHBondContact OD1-N 3.37Å; D424-R426 VanDerWaalsContact OD1-N 3.13Å; D424-R426 IonicContact OD1-NE 2.78Å; D424-R426 PolarHBondContact OD1-NE 3.12Å; D424-R426 IonicContact OD1-NH2 3.67Å; D424-R426 IonicContact OD2-CZ 3.48Å; D424-R426 IonicContact OD2-NE 2.7Å; D424-R426 PolarHBondContact OD2-NE 2.92Å; D424-R426 IonicContact OD2-NH2 2.74Å; D424-R426 PolarHBondContact OD2-NH2 3.24Å; R426-G442 PolarHBondContact NH1-O 3.04Å; R426-Y443 VanDerWaalsContact NH2-CZ 3.34Å
427	F	94	Very high	97	Very high	156 Å²	156	45.8 Å²	45.8	68%	0.684	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.9	-2.3	-176.5	-53.9	-69.7	0	0	0	113.3	D424 T425 R429	D424-F427 PolarHBondContact O-N 2.71Å; T425-F427 VanDerWaalsContact C-N 3.34Å; F427-R429 VanDerWaalsContact C-N 3.35Å; F427-R429 PolarHBondContact O-N 3Å
428	Y	96.4	Very high	97.1	Very high	96 Å²	96	42.6 Å²	42.6	38%	0.376	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	53.7	-171.5	-64.7	-70.2	0	0	0	112.7	S410 H411 D424 T425	S410-Y428 WeakPolarHBondContact O-CD1 3.4Å; H411-Y428 HydrophobicContact CB-CE1 3.95Å; H411-Y428 HydrophobicContact CB-CE2 4.1Å; H411-Y428 PolarHBondContact CD2-OH 3.36Å; H411-Y428 VanDerWaalsContact CD2-OH 3.23Å; D424-Y428 VanDerWaalsContact O-CA 3.29Å; D424-Y428 WeakPolarHBondContact O-CA 3.45Å; D424-Y428 PolarHBondContact O-N 2.8Å; T425-Y428 HydrophobicContact CG2-CE1 4.35Å
429	R	95.7	Very high	97.1	Very high	79 Å²	79	43.5 Å²	43.5	30%	0.298	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.9	178.8	-178.2	176	171.9	-170.1	-4	110.1	T220 P277 D424 F427	T220-R429 PolarHBondContact O-NH2 3.16Å; P277-R429 VanDerWaalsContact CG-CZ 3.41Å; D424-R429 PolarHBondContact N-O 3.02Å; D424-R429 PolarHBondContact O-N 3.04Å; F427-R429 VanDerWaalsContact C-N 3.35Å; F427-R429 PolarHBondContact O-N 3Å
430	C	98.1	Very high	97.2	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.014	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	133.8	170.8	-70.6	0	0	0	0	111	L221 P407 C416 F422	L221-C430 HydrophobicContact CD2-CB 4.03Å; L221-C430 VanDerWaalsContact CD2-O 3.25Å; L221-C430 WeakPolarHBondContact CD2-O 3.35Å; P407-C430 HydrophobicContact CB-CB 4.46Å; P407-C430 WeakPolarHBondContact O-CB 2.97Å; C416-C430 VanDerWaalsContact CA-SG 3.55Å; C416-C430 HydrophobicContact CB-CB 3.91Å; C416-C430 WeakPolarHBondContact CB-SG 3.41Å; C416-C430 WeakPolarHBondContact SG-CA 3.41Å; C416-C430 WeakPolarHBondContact SG-CB 3.03Å; C416-C430 CovalentContact SG-SG 2.03Å; C416-C430 PolarHBondContact SG-SG 3.21Å; F422-C430 WeakPolarHBondContact O-CA 3.42Å
431	V	98.1	Very high	97.1	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	147.4	179.9	-177.4	0	0	0	0	108.4	L221 P224 L225 L421 F422 D424	L221-V431 CarbonylContact O-C 3.59Å; L221-V431 WeakPolarHBondContact O-CA 3.46Å; L221-V431 WeakPolarHBondContact O-CG1 2.99Å; P224-V431 HydrophobicContact CB-CG1 4.27Å; P224-V431 HydrophobicContact CB-CG2 4.31Å; P224-V431 HydrophobicContact CG-CG2 4.33Å; L225-V431 HydrophobicContact CD2-CG1 3.82Å; L225-V431 HydrophobicContact CG-CG1 4.34Å; L421-V431 CarbonylContact C-O 3.47Å; L421-V431 WeakPolarHBondContact CA-O 3.3Å; F422-V431 HydrophobicContact CD1-CB 4.13Å; F422-V431 WeakPolarHBondContact CD1-O 3.31Å; F422-V431 HydrophobicContact CE1-CB 3.54Å; F422-V431 HydrophobicContact CE1-CG1 3.67Å; F422-V431 HydrophobicContact CZ-CB 3.86Å; F422-V431 HydrophobicContact CZ-CG1 4.06Å; F422-V431 PolarHBondContact N-O 2.79Å; F422-V431 PolarHBondContact O-N 2.96Å; D424-V431 HydrophobicContact CB-CG2 4.11Å
432	S	98.3	Very high	96.9	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	143.6	174.9	-164.3	0	0	0	0	111.3	R142 L221 D222 L225 S231 F422	R142-S432 PolarHBondContact NH1-OG 3.42Å; L221-S432 PolarHBondContact O-N 2.9Å; D222-S432 PolarHBondContact OD1-OG 3.39Å; L225-S432 WeakPolarHBondContact CD2-O 3.48Å; S231-S432 PolarHBondContact OG-OG 3.09Å; F422-S432 WeakPolarHBondContact CE1-O 3.19Å
433	K	98.5	Very high	96.8	Very high	16 Å²	16	42.9 Å²	42.9	7%	0.07	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-77	153.9	167.1	-69.7	-159.5	-179.4	-158.3	0	111.8	I232 P419 Y420 F422 D447 I448 Y450	I232-K433 WeakPolarHBondContact CB-O 3.41Å; I232-K433 PolarHBondContact N-O 2.85Å; P419-K433 WeakPolarHBondContact O-CD 3.28Å; P419-K433 WeakPolarHBondContact O-CE 3.31Å; Y420-K433 WeakPolarHBondContact O-CB 3.48Å; Y420-K433 PolarHBondContact O-N 3.24Å; F422-K433 HydrophobicContact CB-CG 4.35Å; F422-K433 HydrophobicContact CD1-CG 4.16Å; K433-D447 VanDerWaalsContact CE-O 3.23Å; K433-D447 WeakPolarHBondContact CE-O 3.44Å; K433-D447 WeakPolarHBondContact CE-OD2 3.32Å; K433-D447 PolarHBondContact NZ-O 3.31Å; K433-D447 IonicContact NZ-OD1 3.42Å; K433-D447 PolarHBondContact NZ-OD1 2.75Å; K433-D447 IonicContact NZ-OD2 2.86Å; K433-D447 PolarHBondContact NZ-OD2 3Å; K433-I448 CarbonylContact C-O 3.07Å; K433-I448 WeakPolarHBondContact CA-O 3.22Å; K433-I448 VanDerWaalsContact CB-O 3.31Å; K433-I448 WeakPolarHBondContact CB-O 3.29Å; K433-Y450 HydrophobicContact CD-CD2 4.41Å
434	V	98.5	Very high	96.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-97.7	138.7	179.9	173.1	0	0	0	0	110.1	L225 D230 I448 Y450 C459	L225-V434 HydrophobicContact CD1-CG2 4.15Å; L225-V434 HydrophobicContact CD2-CG2 3.59Å; L225-V434 HydrophobicContact CG-CG2 4.44Å; D230-V434 HydrophobicContact CB-CG1 3.95Å; D230-V434 WeakPolarHBondContact O-CA 3.14Å; V434-I448 HydrophobicContact CB-CG1 4.25Å; V434-I448 HydrophobicContact CG2-CD1 3.9Å; V434-I448 HydrophobicContact CG2-CG1 3.71Å; V434-I448 PolarHBondContact N-O 2.7Å; V434-Y450 WeakPolarHBondContact O-CB 3.34Å; V434-Y450 PolarHBondContact O-N 2.79Å; V434-C459 HydrophobicContact CG1-CB 4.49Å
435	V	97.5	Very high	96.4	Very high	37 Å²	37	50.9 Å²	50.9	22%	0.224	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-67.7	157.6	176.2	-60.1	0	0	0	0	111.7	D230 I232 G437 G438	D230-V435 WeakPolarHBondContact O-CG2 3.17Å; D230-V435 PolarHBondContact O-N 2.6Å; I232-V435 HydrophobicContact CD1-CG1 3.97Å; V435-G437 PolarHBondContact O-N 3.28Å; V435-G438 PolarHBondContact O-N 2.98Å
436	K	96.4	Very high	96.4	Very high	148 Å²	148	49.9 Å²	49.9	64%	0.643	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	135.1	173.9	-171	174	-176.5	161	0	111.2	G438 A460	K436-G438 VanDerWaalsContact C-N 3.26Å; K436-G438 PolarHBondContact O-N 2.79Å; K436-A460 WeakPolarHBondContact CE-OXT 3.43Å; K436-A460 PolarHBondContact NZ-OXT 3.2Å
437	G	96	Very high	96.4	Very high	46 Å²	46	48.9 Å²	48.9	47%	0.474	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	-12.4	-174.3	0	0	0	0	0	114.7	V435 R458 C459	V435-G437 PolarHBondContact O-N 3.28Å; G437-R458 PolarHBondContact O-NH1 3.43Å; G437-R458 VanDerWaalsContact O-NH1 3.17Å; G437-C459 PolarHBondContact N-O 2.81Å
438	G	97.3	Very high	96.5	Very high	3 Å²	3	41.4 Å²	41.4	3%	0.031	24%	0.244	C	C	.	.	S	Bend	trans	-70.2	166.1	178.1	0	0	0	0	0	113.8	D230 V435 K436 R458 C459	D230-G438 WeakPolarHBondContact OD2-CA 2.96Å; V435-G438 PolarHBondContact O-N 2.98Å; K436-G438 VanDerWaalsContact C-N 3.26Å; K436-G438 PolarHBondContact O-N 2.79Å; G438-R458 WeakPolarHBondContact O-CA 2.93Å; G438-C459 PolarHBondContact O-N 3.18Å
439	D	98.2	Very high	96.6	Very high	33 Å²	33	37 Å²	37	18%	0.176	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-78.6	124.6	178.3	-174.8	7.3	0	0	0	112.2	P226 T227 D230 G441	P226-D439 HydrophobicContact CB-CB 4.4Å; P226-D439 WeakPolarHBondContact CB-OD2 3.48Å; T227-D439 PolarHBondContact OG1-OD2 3.19Å; D230-D439 PolarHBondContact OD2-N 3.05Å; D439-G441 PolarHBondContact OD1-N 3.31Å
440	C	97.6	Very high	96.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	22%	0.217	C	C	.	.			trans	-123.2	18.5	174.8	63.2	0	0	0	0	112.7	G442 Y443 I448 C454 T457 R458	C440-G442 PolarHBondContact O-N 3.28Å; C440-Y443 WeakPolarHBondContact O-CB 3.43Å; C440-Y443 PolarHBondContact O-N 2.98Å; C440-I448 HydrophobicContact CB-CD1 4.39Å; C440-I448 HydrophobicContact CB-CG2 3.65Å; C440-C454 HydrophobicContact CB-CB 3.81Å; C440-C454 WeakPolarHBondContact CB-SG 3.47Å; C440-C454 PolarHBondContact O-SG 3.1Å; C440-C454 WeakPolarHBondContact SG-CA 3.19Å; C440-C454 WeakPolarHBondContact SG-CB 3.3Å; C440-C454 CovalentContact SG-SG 2.03Å; C440-C454 PolarHBondContact SG-SG 3.28Å; C440-T457 PolarHBondContact N-O 2.84Å; C440-R458 VanDerWaalsContact SG-CA 3.56Å; C440-R458 PolarHBondContact SG-N 3.12Å
441	G	97	Very high	96.6	Very high	21 Å²	21	41.9 Å²	41.9	22%	0.216	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	133.5	179.6	0	0	0	0	0	112.8	P226 D439 Y443 E444	P226-G441 WeakPolarHBondContact CG-O 3.45Å; D439-G441 PolarHBondContact OD1-N 3.31Å; G441-Y443 VanDerWaalsContact C-N 3.27Å; G441-Y443 PolarHBondContact O-N 3.26Å; G441-E444 WeakPolarHBondContact CA-OE1 3.41Å
442	G	94.8	Very high	96.5	Very high	42 Å²	42	42.8 Å²	42.8	43%	0.433	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	4.3	-176.6	0	0	0	0	0	114.6	R426 C440 E444	R426-G442 PolarHBondContact NH1-O 3.04Å; C440-G442 PolarHBondContact O-N 3.28Å; G442-E444 WeakPolarHBondContact CA-OE2 3.44Å; G442-E444 PolarHBondContact N-OE1 3.17Å; G442-E444 VanDerWaalsContact N-OE1 3.11Å; G442-E444 PolarHBondContact N-OE2 3.4Å
443	Y	95.7	Very high	96.4	Very high	22 Å²	22	47.1 Å²	47.1	9%	0.086	28%	0.282	C	S	.	.			trans	-121.3	21.2	174.1	-71.1	-97.8	0	0	0	112	P224 P226 F422 D424 R426 C440 G441 G445 L446 I448	P224-Y443 PolarHBondContact O-OH 3.15Å; P224-Y443 VanDerWaalsContact O-OH 3.06Å; P226-Y443 HydrophobicContact CG-CD2 3.95Å; P226-Y443 HydrophobicContact CG-CE2 4Å; F422-Y443 HydrophobicContact CE2-CD1 4.04Å; F422-Y443 HydrophobicContact CE2-CE1 4.28Å; F422-Y443 AromaticContact CZ-CD1 3.65Å; F422-Y443 HydrophobicContact CZ-CD1 3.65Å; F422-Y443 AromaticContact CZ-CE1 3.72Å; F422-Y443 HydrophobicContact CZ-CE1 3.72Å; D424-Y443 WeakPolarHBondContact OD2-CE1 3.35Å; R426-Y443 VanDerWaalsContact NH2-CZ 3.34Å; C440-Y443 WeakPolarHBondContact O-CB 3.43Å; C440-Y443 PolarHBondContact O-N 2.98Å; G441-Y443 VanDerWaalsContact C-N 3.27Å; G441-Y443 PolarHBondContact O-N 3.26Å; Y443-G445 PolarHBondContact O-N 3.26Å; Y443-L446 HydrophobicContact CD1-CD1 3.76Å; Y443-L446 HydrophobicContact CG-CD1 4.49Å; Y443-L446 WeakPolarHBondContact O-CB 3.47Å; Y443-L446 PolarHBondContact O-N 3.25Å; Y443-I448 HydrophobicContact CD1-CD1 3.86Å; Y443-I448 HydrophobicContact CD2-CD1 3.67Å; Y443-I448 HydrophobicContact CE1-CD1 4.39Å; Y443-I448 HydrophobicContact CE2-CD1 4.24Å; Y443-I448 HydrophobicContact CG-CB 4.48Å; Y443-I448 HydrophobicContact CG-CD1 3.47Å; Y443-I448 VanDerWaalsContact CG-CD1 3.47Å
444	E	93.2	Very high	96.4	Very high	102 Å²	102	47.4 Å²	47.4	48%	0.477	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	129.6	178.2	-62.5	78.5	-173.2	0	0	110.7	G441 G442 L446	G441-E444 WeakPolarHBondContact CA-OE1 3.41Å; G442-E444 WeakPolarHBondContact CA-OE2 3.44Å; G442-E444 PolarHBondContact N-OE1 3.17Å; G442-E444 VanDerWaalsContact N-OE1 3.11Å; G442-E444 PolarHBondContact N-OE2 3.4Å; E444-L446 VanDerWaalsContact C-N 3.29Å; E444-L446 PolarHBondContact O-N 3.06Å
445	G	92.3	Very high	96.2	Very high	83 Å²	83	50.7 Å²	50.7	86%	0.856	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-3.3	-175.9	0	0	0	0	0	115.3	Y443	Y443-G445 PolarHBondContact O-N 3.26Å
446	L	95.1	Very high	96.1	Very high	40 Å²	40	55.9 Å²	55.9	21%	0.209	33%	0.333	C	S	.	.	S	Bend	trans	-98.2	157.3	172.3	-57.4	177.6	0	0	0	111.3	F422 Y443 E444 I448	F422-L446 HydrophobicContact CE2-CB 4.23Å; Y443-L446 HydrophobicContact CD1-CD1 3.76Å; Y443-L446 HydrophobicContact CG-CD1 4.49Å; Y443-L446 WeakPolarHBondContact O-CB 3.47Å; Y443-L446 PolarHBondContact O-N 3.25Å; E444-L446 VanDerWaalsContact C-N 3.29Å; E444-L446 PolarHBondContact O-N 3.06Å; L446-I448 PolarHBondContact O-N 2.86Å
447	D	95.4	Very high	96.1	Very high	99 Å²	99	52 Å²	52	53%	0.529	32%	0.321	S	S	.	.	S	Bend	trans	-80.6	43	-178	-174.5	28.4	0	0	0	113.4	F422 K433	F422-D447 HydrophobicContact CB-CB 4.31Å; F422-D447 WeakPolarHBondContact CB-O 3.32Å; F422-D447 WeakPolarHBondContact CG-O 3.4Å; K433-D447 VanDerWaalsContact CE-O 3.23Å; K433-D447 WeakPolarHBondContact CE-O 3.44Å; K433-D447 WeakPolarHBondContact CE-OD2 3.32Å; K433-D447 PolarHBondContact NZ-O 3.31Å; K433-D447 IonicContact NZ-OD1 3.42Å; K433-D447 PolarHBondContact NZ-OD1 2.75Å; K433-D447 IonicContact NZ-OD2 2.86Å; K433-D447 PolarHBondContact NZ-OD2 3Å
448	I	97.3	Very high	96.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.321	C	S	.	.			trans	-71.3	-29.1	-177.6	-177.6	165.1	0	0	0	113.2	L225 F422 K433 V434 C440 Y443 L446 C454	L225-I448 HydrophobicContact CD2-CD1 3.88Å; L225-I448 HydrophobicContact CD2-CG1 4.34Å; F422-I448 HydrophobicContact CD1-CB 4.33Å; F422-I448 HydrophobicContact CD1-CG1 4.48Å; F422-I448 HydrophobicContact CE1-CB 3.75Å; F422-I448 HydrophobicContact CE1-CD1 4.27Å; F422-I448 HydrophobicContact CE1-CG1 3.66Å; F422-I448 HydrophobicContact CE2-CB 4.23Å; F422-I448 HydrophobicContact CZ-CB 3.69Å; F422-I448 HydrophobicContact CZ-CD1 4.18Å; F422-I448 HydrophobicContact CZ-CG1 3.89Å; K433-I448 CarbonylContact C-O 3.07Å; K433-I448 WeakPolarHBondContact CA-O 3.22Å; K433-I448 VanDerWaalsContact CB-O 3.31Å; K433-I448 WeakPolarHBondContact CB-O 3.29Å; V434-I448 HydrophobicContact CB-CG1 4.25Å; V434-I448 HydrophobicContact CG2-CD1 3.9Å; V434-I448 HydrophobicContact CG2-CG1 3.71Å; V434-I448 PolarHBondContact N-O 2.7Å; C440-I448 HydrophobicContact CB-CD1 4.39Å; C440-I448 HydrophobicContact CB-CG2 3.65Å; Y443-I448 HydrophobicContact CD1-CD1 3.86Å; Y443-I448 HydrophobicContact CD2-CD1 3.67Å; Y443-I448 HydrophobicContact CE1-CD1 4.39Å; Y443-I448 HydrophobicContact CE2-CD1 4.24Å; Y443-I448 HydrophobicContact CG-CB 4.48Å; Y443-I448 HydrophobicContact CG-CD1 3.47Å; Y443-I448 VanDerWaalsContact CG-CD1 3.47Å; L446-I448 PolarHBondContact O-N 2.86Å; I448-C454 HydrophobicContact CG2-CB 4.23Å
449	C	98.2	Very high	96.2	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.014	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-88.1	131.2	-171.1	-64.6	0	0	0	0	112.2	S452 C454 C459	C449-S452 WeakPolarHBondContact CB-O 3.11Å; C449-S452 WeakPolarHBondContact CB-OG 3.49Å; C449-C454 PolarHBondContact SG-N 3.48Å; C449-C454 VanDerWaalsContact SG-N 3.44Å; C449-C459 WeakPolarHBondContact CA-SG 3.31Å; C449-C459 HydrophobicContact CB-CB 3.62Å; C449-C459 WeakPolarHBondContact CB-SG 3.39Å; C449-C459 WeakPolarHBondContact SG-CA 3.31Å; C449-C459 WeakPolarHBondContact SG-CB 3.41Å; C449-C459 CovalentContact SG-SG 2.03Å; C449-C459 PolarHBondContact SG-SG 3.32Å
450	Y	97.7	Very high	96.1	Very high	27 Å²	27	57.3 Å²	57.3	11%	0.106	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	125.7	174.6	-178.4	-111.2	0	0	0	110.7	I232 E237 Y420 K433 V434 S452	I232-Y450 HydrophobicContact CD1-CD1 3.48Å; I232-Y450 VanDerWaalsContact CD1-CD1 3.48Å; I232-Y450 HydrophobicContact CD1-CD2 4.47Å; I232-Y450 HydrophobicContact CD1-CE1 3.96Å; I232-Y450 HydrophobicContact CD1-CG 3.77Å; I232-Y450 HydrophobicContact CG1-CG 4.41Å; E237-Y450 PolarHBondContact OE1-OH 2.83Å; E237-Y450 WeakPolarHBondContact OE2-CE1 3.5Å; E237-Y450 PolarHBondContact OE2-OH 3.16Å; Y420-Y450 HydrophobicContact CD1-CD2 4.05Å; Y420-Y450 AromaticContact CD1-CE2 3.48Å; Y420-Y450 HydrophobicContact CD1-CE2 3.48Å; Y420-Y450 VanDerWaalsContact CD1-CE2 3.48Å; Y420-Y450 AromaticContact CD1-CZ 3.92Å; Y420-Y450 HydrophobicContact CE1-CD2 4.49Å; Y420-Y450 AromaticContact CE1-CE2 3.53Å; Y420-Y450 HydrophobicContact CE1-CE2 3.53Å; Y420-Y450 AromaticContact CE1-CZ 3.56Å; Y420-Y450 VanDerWaalsContact CE1-OH 3.31Å; Y420-Y450 WeakPolarHBondContact CE1-OH 3.38Å; K433-Y450 HydrophobicContact CD-CD2 4.41Å; V434-Y450 WeakPolarHBondContact O-CB 3.34Å; V434-Y450 PolarHBondContact O-N 2.79Å; Y450-S452 PolarHBondContact O-N 2.63Å; Y450-S452 PolarHBondContact O-OG 2.71Å
451	K	96	Very high	96	Very high	157 Å²	157	60.2 Å²	60.2	68%	0.683	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	29.2	179.5	-67.5	177.3	175.1	153.5	0	114	E237	E237-K451 IonicContact OE1-NZ 2.96Å; E237-K451 PolarHBondContact OE1-NZ 3.43Å
452	S	96.2	Very high	95.9	Very high	20 Å²	20	62.2 Å²	62.2	14%	0.14	36%	0.362	C	S	.	.	S	Bend	trans	-159	179.2	-176.5	49	0	0	0	0	109.2	C449 Y450 A460	C449-S452 WeakPolarHBondContact CB-O 3.11Å; C449-S452 WeakPolarHBondContact CB-OG 3.49Å; Y450-S452 PolarHBondContact O-N 2.63Å; Y450-S452 PolarHBondContact O-OG 2.71Å; S452-A460 WeakPolarHBondContact CB-O 3.48Å
453	T	96.1	Very high	96	Very high	91 Å²	91	63.3 Å²	63.3	56%	0.558	36%	0.358	S	S	*	.			trans	-125.9	153.3	177.5	54.4	0	0	0	0	111.6	V455 C459 A460	T453-V455 PolarHBondContact O-N 2.7Å; T453-C459 WeakPolarHBondContact O-CA 3.36Å; T453-A460 PolarHBondContact N-O 2.81Å; T453-A460 VanDerWaalsContact N-O 3.09Å; T453-A460 PolarHBondContact O-N 3.17Å
454	C	97.3	Very high	96	Very high	23 Å²	23	65.8 Å²	65.8	16%	0.155	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	109.8	176.2	-171.6	0	0	0	0	110.2	C440 I448 C449 R458	C440-C454 HydrophobicContact CB-CB 3.81Å; C440-C454 WeakPolarHBondContact CB-SG 3.47Å; C440-C454 PolarHBondContact O-SG 3.1Å; C440-C454 WeakPolarHBondContact SG-CA 3.19Å; C440-C454 WeakPolarHBondContact SG-CB 3.3Å; C440-C454 CovalentContact SG-SG 2.03Å; C440-C454 PolarHBondContact SG-SG 3.28Å; I448-C454 HydrophobicContact CG2-CB 4.23Å; C449-C454 PolarHBondContact SG-N 3.48Å; C449-C454 VanDerWaalsContact SG-N 3.44Å; C454-R458 WeakPolarHBondContact CA-O 3.39Å
455	V	96	Very high	96.2	Very high	69 Å²	69	63.5 Å²	63.5	42%	0.418	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	125.2	179	-177	0	0	0	0	107.9	T453 T457 R458 A460	T453-V455 PolarHBondContact O-N 2.7Å; V455-T457 VanDerWaalsContact C-N 3.3Å; V455-T457 PolarHBondContact O-N 2.82Å; V455-R458 PolarHBondContact N-O 3.37Å; V455-R458 PolarHBondContact O-N 3.25Å; V455-A460 HydrophobicContact CB-CB 4.3Å; V455-A460 HydrophobicContact CG2-CB 4.49Å
456	D	94.3	Very high	96.5	Very high	146 Å²	146	62.2 Å²	62.2	78%	0.781	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	51.9	-179.3	-59.4	-34.5	0	0	0	112.8	R458	D456-R458 PolarHBondContact O-N 3.21Å; D456-R458 VanDerWaalsContact O-N 3.15Å
457	T	96.6	Very high	96.6	Very high	65 Å²	65	63.8 Å²	63.8	40%	0.399	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	15.9	-178.3	84.5	0	0	0	0	115.3	C440 V455	C440-T457 PolarHBondContact N-O 2.84Å; V455-T457 VanDerWaalsContact C-N 3.3Å; V455-T457 PolarHBondContact O-N 2.82Å
458	R	97.8	Very high	96.7	Very high	125 Å²	125	61.1 Å²	61.1	47%	0.472	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143.5	178.2	-66	-65.9	-175.5	174.8	-9.1	112.5	G437 G438 C440 C454 V455 D456 A460	G437-R458 PolarHBondContact O-NH1 3.43Å; G437-R458 VanDerWaalsContact O-NH1 3.17Å; G438-R458 WeakPolarHBondContact O-CA 2.93Å; C440-R458 VanDerWaalsContact SG-CA 3.56Å; C440-R458 PolarHBondContact SG-N 3.12Å; C454-R458 WeakPolarHBondContact CA-O 3.39Å; V455-R458 PolarHBondContact N-O 3.37Å; V455-R458 PolarHBondContact O-N 3.25Å; D456-R458 PolarHBondContact O-N 3.21Å; D456-R458 VanDerWaalsContact O-N 3.15Å; R458-A460 PolarHBondContact O-N 2.6Å
459	C	97.9	Very high	96.6	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.007	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	105.3	171.2	-68.4	0	0	0	0	110.6	V434 G437 G438 C449 T453	V434-C459 HydrophobicContact CG1-CB 4.49Å; G437-C459 PolarHBondContact N-O 2.81Å; G438-C459 PolarHBondContact O-N 3.18Å; C449-C459 WeakPolarHBondContact CA-SG 3.31Å; C449-C459 HydrophobicContact CB-CB 3.62Å; C449-C459 WeakPolarHBondContact CB-SG 3.39Å; C449-C459 WeakPolarHBondContact SG-CA 3.31Å; C449-C459 WeakPolarHBondContact SG-CB 3.41Å; C449-C459 CovalentContact SG-SG 2.03Å; C449-C459 PolarHBondContact SG-SG 3.32Å; T453-C459 WeakPolarHBondContact O-CA 3.36Å
460	A	95.2	Very high	96.5	Very high	68 Å²	68	72 Å²	72	56%	0.562	39%	0.389	S	S	*	.			trans	-119.4	0	-172.4	0	0	0	0	0	113.4	K436 S452 T453 V455 R458	K436-A460 WeakPolarHBondContact CE-OXT 3.43Å; K436-A460 PolarHBondContact NZ-OXT 3.2Å; S452-A460 WeakPolarHBondContact CB-O 3.48Å; T453-A460 PolarHBondContact N-O 2.81Å; T453-A460 VanDerWaalsContact N-O 3.09Å; T453-A460 PolarHBondContact O-N 3.17Å; V455-A460 HydrophobicContact CB-CB 4.3Å; V455-A460 HydrophobicContact CG2-CB 4.49Å; R458-A460 PolarHBondContact O-N 2.6Å

Retrieved 460 of 460 residues in 148 ms (Link to these results)

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