A0A3Q0KR35_SCHMA Loading...

Solute carrier organic anion transporter family member AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KR35, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 770 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.2	Very low	26.1	Very low	241 Å²	241	146.9 Å²	146.9	100%	1.187	81%	0.813	S	S	*	*				0	119.2	0	-87.1	-169.3	167.6	0	0	107.6
2	L	33.2	Very low	25.9	Very low	164 Å²	164	145.7 Å²	145.7	86%	0.859	81%	0.813	S	S	*	*			trans	67.2	84.1	170.6	-60	166.1	0	0	0	114.6
3	E	24.4	Very low	25.9	Very low	161 Å²	161	145.4 Å²	145.4	75%	0.752	82%	0.824	S	S	*	*				61.9	118	72.7	-113	-171.8	154.7	0	0	115.1
4	N	24.6	Very low	25.7	Very low	128 Å²	128	139.9 Å²	139.9	68%	0.684	82%	0.816	S	S	*	*			trans	50.9	113.4	141.3	-62.2	-17.4	0	0	0	119.7
5	N	28.8	Very low	25.7	Very low	155 Å²	155	142.9 Å²	142.9	83%	0.829	82%	0.819	S	S	*	*				-164.1	104.8	107.9	-97.4	-20.5	0	0	0	111.3
6	A	23.3	Very low	25.8	Very low	98 Å²	98	142.4 Å²	142.4	81%	0.81	82%	0.819	S	S	*	*			trans	-86.8	119.2	154.1	0	0	0	0	0	107.4
7	T	25.2	Very low	25.8	Very low	119 Å²	119	140.8 Å²	140.8	73%	0.73	82%	0.816	S	S	*	*			trans	-159.8	120.8	152.3	15.2	0	0	0	0	108.9
8	S	23.4	Very low	25.6	Very low	94 Å²	94	143.2 Å²	143.2	66%	0.657	82%	0.819	S	S	*	*			trans	20.1	124.4	146.2	57.8	0	0	0	0	118.9
9	N	25.3	Very low	25.6	Very low	142 Å²	142	146 Å²	146	76%	0.759	82%	0.821	S	S	*	*				-163.9	128.6	106.4	-89.2	-22.1	0	0	0	111.6	E11	N9-E11 VanDerWaalsContact C-N 3.33Å; N9-E11 PolarHBondContact O-N 3.21Å; N9-E11 VanDerWaalsContact O-N 3.1Å
10	V	24.3	Very low	25.6	Very low	150 Å²	150	144.7 Å²	144.7	91%	0.909	82%	0.819	S	S	*	*			trans	-73.6	89	168.8	174.3	0	0	0	0	106.2
11	E	26	Very low	25.9	Very low	164 Å²	164	144.1 Å²	144.1	77%	0.766	81%	0.81	S	S	*	*			trans	-92.1	117.1	169.8	-88.1	-179.8	162.5	0	0	110.2	N9 C13	N9-E11 VanDerWaalsContact C-N 3.33Å; N9-E11 PolarHBondContact O-N 3.21Å; N9-E11 VanDerWaalsContact O-N 3.1Å; E11-C13 PolarHBondContact O-N 3.45Å
12	T	23.7	Very low	25.8	Very low	132 Å²	132	140 Å²	140	81%	0.81	79%	0.792	S	S	*	*			trans	-41.7	111.8	166.5	41.5	0	0	0	0	111	G14	T12-G14 PolarHBondContact O-N 2.85Å
13	C	26.5	Very low	25.7	Very low	142 Å²	142	140.5 Å²	140.5	96%	0.959	80%	0.795	S	S	*	*			trans	-66.7	81.8	171	-79.7	0	0	0	0	110.3	E11	E11-C13 PolarHBondContact O-N 3.45Å
14	G	22.2	Very low	25.9	Very low	69 Å²	69	140.1 Å²	140.1	71%	0.711	79%	0.791	S	S	*	*			trans	-112.1	66.1	158	0	0	0	0	0	108.4	T12	T12-G14 PolarHBondContact O-N 2.85Å
15	E	26.7	Very low	26.2	Very low	184 Å²	184	142.5 Å²	142.5	86%	0.86	80%	0.798	S	S	*	*			trans	-131.9	125.9	166.3	-79	-164.8	154	0	0	112.4	C17	E15-C17 PolarHBondContact O-N 2.94Å
16	V	26.4	Very low	26.1	Very low	136 Å²	136	143.7 Å²	143.7	82%	0.824	80%	0.798	S	S	*	*			trans	-41.9	112.1	173.6	177.4	0	0	0	0	110.5	Q18	V16-Q18 PolarHBondContact O-N 3.03Å
17	C	25.6	Very low	26.2	Very low	114 Å²	114	150.9 Å²	150.9	77%	0.77	80%	0.804	S	S	*	*			trans	-64.1	102.8	171.9	-63.4	0	0	0	0	109.5	E15 F19	E15-C17 PolarHBondContact O-N 2.94Å; C17-F19 PolarHBondContact O-N 3.09Å
18	Q	22.5	Very low	26.3	Very low	185 Å²	185	152.4 Å²	152.4	86%	0.864	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-57.9	126.6	165	-99.1	160.4	-39.3	0	0	109.8	V16	V16-Q18 PolarHBondContact O-N 3.03Å
19	F	26.1	Very low	26.4	Very low	196 Å²	196	152.8 Å²	152.8	86%	0.86	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-76.5	134.9	176.3	-80.1	-96.5	0	0	0	110.3	C17	C17-F19 PolarHBondContact O-N 3.09Å
20	P	26.2	Very low	26.3	Very low	119 Å²	119	156.1 Å²	156.1	77%	0.773	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-69.1	138.3	173	-13.9	28.2	0	0	0	111.8	D22	P20-D22 PolarHBondContact O-N 3.15Å
21	E	30.8	Very low	26.4	Very low	134 Å²	134	154.9 Å²	154.9	63%	0.626	81%	0.81	S	S	*	*	S	Bend	trans	-76.4	6.8	-166	-103.7	-92.3	145	0	0	116.8	L23 K24	E21-L23 PolarHBondContact O-N 3.23Å; E21-K24 IonicContact OE1-NZ 3.79Å; E21-K24 PolarHBondContact OE1-NZ 3.13Å; E21-K24 IonicContact OE2-NZ 3.19Å; E21-K24 PolarHBondContact OE2-NZ 2.98Å
22	D	26.8	Very low	26.5	Very low	154 Å²	154	152.9 Å²	152.9	82%	0.824	81%	0.809	S	S	*	*			trans	-102.5	30.1	-166.3	-70	-35.4	0	0	0	117.1	P20	P20-D22 PolarHBondContact O-N 3.15Å
23	L	30.1	Very low	26.7	Very low	175 Å²	175	154.7 Å²	154.7	92%	0.916	81%	0.812	S	S	*	*			trans	-129.6	59.3	169.6	-104.9	107.8	0	0	0	112.7	E21	E21-L23 PolarHBondContact O-N 3.23Å
24	K	29.3	Very low	26.6	Very low	153 Å²	153	152 Å²	152	67%	0.665	80%	0.795	S	S	*	*			trans	-88.4	10.1	177.3	-101.9	174.1	-172.4	152.7	0	116.3	E21	E21-K24 IonicContact OE1-NZ 3.79Å; E21-K24 PolarHBondContact OE1-NZ 3.13Å; E21-K24 IonicContact OE2-NZ 3.19Å; E21-K24 PolarHBondContact OE2-NZ 2.98Å
25	Q	30.3	Very low	27.3	Very low	177 Å²	177	154.3 Å²	154.3	83%	0.827	80%	0.798	S	S	*	*			trans	-121.1	4.9	-168.7	-129.2	119.2	-7.2	0	0	120.1
26	H	28	Very low	27.7	Very low	180 Å²	180	152.5 Å²	152.5	83%	0.833	79%	0.794	S	S	*	*			trans	-117.2	98.5	167	-82.9	-67.6	0	0	0	111.9	I28	H26-I28 PolarHBondContact O-N 3.26Å
27	R	24.4	Very low	28.2	Very low	250 Å²	250	153.8 Å²	153.8	94%	0.943	80%	0.795	S	S	*	*			trans	-61.9	75	171.6	-162.9	-172.6	-74.1	-172.7	-2.8	109.5
28	I	28.5	Very low	29.1	Very low	151 Å²	151	151 Å²	151	77%	0.774	78%	0.779	S	S	*	*			trans	-96.5	116.3	163.5	-60.6	177.7	0	0	0	106.5	H26 K30	H26-I28 PolarHBondContact O-N 3.26Å; I28-K30 PolarHBondContact O-N 3.15Å
29	S	25.4	Very low	30.4	Very low	101 Å²	101	146.5 Å²	146.5	71%	0.706	76%	0.761	S	S	*	*			trans	-41.7	128.6	-173.5	-58.7	0	0	0	0	113.3	T31	S29-T31 PolarHBondContact O-N 3.42Å
30	K	23.4	Very low	31.3	Very low	212 Å²	212	147 Å²	147	92%	0.922	76%	0.758	S	S	*	*			trans	-53.7	82.5	164.8	-68.1	175.4	177	178.3	0	109.6	I28	I28-K30 PolarHBondContact O-N 3.15Å
31	T	26.5	Very low	32.5	Very low	125 Å²	125	143.7 Å²	143.7	77%	0.767	74%	0.737	S	S	*	*			trans	-91.9	101.6	156.6	-42.4	0	0	0	0	104.5	S29 L33	S29-T31 PolarHBondContact O-N 3.42Å; T31-L33 PolarHBondContact O-N 3.15Å
32	T	28	Very low	33.6	Very low	122 Å²	122	139.4 Å²	139.4	75%	0.748	72%	0.718	S	S	*	*			trans	-37.1	109.1	171	-19.4	0	0	0	0	108.9	S34	T32-S34 PolarHBondContact O-N 3.08Å; T32-S34 PolarHBondContact O-OG 3.07Å
33	L	26.8	Very low	35.1	Very low	169 Å²	169	133.9 Å²	133.9	89%	0.885	69%	0.686	S	S	*	*			trans	-72.3	80.2	171.9	-164.8	91.2	0	0	0	106.6	T31 P35	T31-L33 PolarHBondContact O-N 3.15Å; L33-P35 VanDerWaalsContact O-CD 3.28Å; L33-P35 WeakPolarHBondContact O-CD 3.32Å
34	S	25.1	Very low	36.4	Very low	86 Å²	86	125.7 Å²	125.7	60%	0.601	64%	0.644	S	S	*	*			trans	-64	117.1	174.5	-42.8	0	0	0	0	108.5	T32 D36	T32-S34 PolarHBondContact O-N 3.08Å; T32-S34 PolarHBondContact O-OG 3.07Å; S34-D36 PolarHBondContact O-N 3.16Å
35	P	37.2	Very low	37.8	Very low	117 Å²	117	119.1 Å²	119.1	76%	0.76	62%	0.619	S	S	*	*			trans	-79	27.8	-179.9	32.6	-32.5	0	0	0	113.6	L33	L33-P35 VanDerWaalsContact O-CD 3.28Å; L33-P35 WeakPolarHBondContact O-CD 3.32Å
36	D	33.4	Very low	39.3	Very low	147 Å²	147	113.6 Å²	113.6	79%	0.786	60%	0.595	S	S	*	*			trans	-108	24.6	-166.5	-89.4	-26	0	0	0	116.1	S34	S34-D36 PolarHBondContact O-N 3.16Å
37	I	37.5	Very low	40.7	Very low	163 Å²	163	114.3 Å²	114.3	84%	0.836	59%	0.591	S	S	*	*			trans	-118	54.7	162	-42.1	178	0	0	0	109.4	D39	I37-D39 PolarHBondContact O-N 3.39Å
38	A	44.4	Very low	42.2	Very low	54 Å²	54	110.9 Å²	110.9	45%	0.446	58%	0.583	S	S	.	*			trans	-64.3	106.6	154.4	0	0	0	0	0	106.7	R40 Y43	A38-R40 PolarHBondContact O-N 3.08Å; A38-Y43 WeakPolarHBondContact CB-OH 3.3Å
39	D	50	Low	43.6	Very low	92 Å²	92	111 Å²	111	49%	0.492	57%	0.574	S	S	.	*			trans	-48.5	109.6	-169.5	-163	-13.3	0	0	0	110.2	I37 S41 L42	I37-D39 PolarHBondContact O-N 3.39Å; D39-S41 VanDerWaalsContact CG-OG 3.23Å; D39-S41 PolarHBondContact O-N 2.93Å; D39-S41 PolarHBondContact OD1-OG 3.25Å; D39-S41 VanDerWaalsContact OD1-OG 3.11Å; D39-S41 PolarHBondContact OD2-OG 2.91Å; D39-L42 HydrophobicContact CB-CD1 3.84Å; D39-L42 PolarHBondContact O-N 3.43Å; D39-L42 VanDerWaalsContact O-N 3.08Å
40	R	45.4	Very low	45.3	Very low	206 Å²	206	111.2 Å²	111.2	78%	0.777	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-55.1	-21.6	-174.5	-83.8	-175.1	180	-174.4	0.7	110.8	A38 L42 Y43 R50	A38-R40 PolarHBondContact O-N 3.08Å; R40-L42 PolarHBondContact O-N 3.03Å; R40-Y43 HydrophobicContact CB-CD2 4.49Å; R40-Y43 HydrophobicContact CG-CE2 4.45Å; R40-Y43 PolarHBondContact O-N 3.35Å; R40-R50 PolarHBondContact O-NH1 3.42Å; R40-R50 PolarHBondContact O-NH2 3.37Å
41	S	51.9	Low	47.3	Very low	49 Å²	49	102.1 Å²	102.1	34%	0.343	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-58.1	-22.3	177.1	71	0	0	0	0	115.9	D39 P307	D39-S41 VanDerWaalsContact CG-OG 3.23Å; D39-S41 PolarHBondContact O-N 2.93Å; D39-S41 PolarHBondContact OD1-OG 3.25Å; D39-S41 VanDerWaalsContact OD1-OG 3.11Å; D39-S41 PolarHBondContact OD2-OG 2.91Å; S41-P307 WeakPolarHBondContact O-CB 3.47Å
42	L	52.7	Low	48.5	Very low	45 Å²	45	103.2 Å²	103.2	24%	0.236	52%	0.518	C	S	.	.	G	3₁₀ helix	trans	-87.1	-9.3	-175.4	-71.1	145.3	0	0	0	115	D39 R40 P307 Q311	D39-L42 HydrophobicContact CB-CD1 3.84Å; D39-L42 PolarHBondContact O-N 3.43Å; D39-L42 VanDerWaalsContact O-N 3.08Å; R40-L42 PolarHBondContact O-N 3.03Å; L42-P307 WeakPolarHBondContact O-CG 3.36Å; L42-Q311 HydrophobicContact CB-CG 4.34Å; L42-Q311 HydrophobicContact CD2-CG 3.83Å
43	Y	59.4	Low	50.1	Low	38 Å²	38	105 Å²	105	15%	0.149	52%	0.516	C	S	.	.	S	Bend	trans	-88.5	140.7	-176.4	-55.5	-60.2	0	0	0	113.1	A38 R40 R50 R55	A38-Y43 WeakPolarHBondContact CB-OH 3.3Å; R40-Y43 HydrophobicContact CB-CD2 4.49Å; R40-Y43 HydrophobicContact CG-CE2 4.45Å; R40-Y43 PolarHBondContact O-N 3.35Å; Y43-R50 PolarHBondContact O-NH1 3.22Å; Y43-R55 HydrophobicContact CD1-CG 3.55Å; Y43-R55 HydrophobicContact CE1-CG 3.66Å; Y43-R55 PolarHBondContact OH-NH2 2.99Å
44	C	57	Low	51.5	Low	3 Å²	3	98.1 Å²	98.1	2%	0.02	48%	0.48	C	S	.	.			trans	-59.5	140.2	169.2	-67	0	0	0	0	111.6	L54 S57 G58 M305	C44-L54 HydrophobicContact CB-CB 4.08Å; C44-S57 PolarHBondContact SG-OG 3.45Å; C44-S57 VanDerWaalsContact SG-OG 3.41Å; C44-G58 WeakPolarHBondContact SG-CA 3.36Å; C44-G58 PolarHBondContact SG-N 2.96Å; C44-M305 CarbonylContact C-O 3.59Å; C44-M305 WeakPolarHBondContact CA-O 3.19Å; C44-M305 WeakPolarHBondContact CB-O 3.46Å
45	G	59	Low	52.8	Low	14 Å²	14	100.1 Å²	100.1	14%	0.144	47%	0.474	C	S	.	.			trans	167.6	161.7	175.7	0	0	0	0	0	113.7	W49 M305	G45-W49 CarbonylContact C-O 3.42Å; G45-W49 VanDerWaalsContact CA-O 3.22Å; G45-W49 WeakPolarHBondContact CA-O 3.39Å; G45-M305 PolarHBondContact N-O 2.95Å
46	I	61.4	Low	53.5	Low	62 Å²	62	97.8 Å²	97.8	32%	0.318	47%	0.471	S	S	.	.	B	Isolated β-bridge	trans	-97.7	112.8	179.4	-58.6	177.9	0	0	0	107.9	K48 W49 L304 M305	I46-K48 PolarHBondContact O-N 2.99Å; I46-W49 PolarHBondContact N-O 3.06Å; I46-W49 PolarHBondContact O-N 2.94Å; I46-L304 HydrophobicContact CB-CD2 4.28Å; I46-L304 HydrophobicContact CD1-CD2 4.35Å; I46-L304 HydrophobicContact CG1-CD2 3.86Å; I46-L304 HydrophobicContact CG2-CD2 3.83Å; I46-M305 HydrophobicContact CD1-CE 3.94Å; I46-M305 HydrophobicContact CD1-CG 4.31Å; I46-M305 HydrophobicContact CG1-CE 4.29Å; I46-M305 HydrophobicContact CG1-CG 4Å
47	Y	57.9	Low	54.5	Low	195 Å²	195	92.7 Å²	92.7	77%	0.765	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	-99.6	177	-165.3	-114	0	0	0	113
48	K	55.3	Low	55.4	Low	178 Å²	178	85 Å²	85	77%	0.774	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-15.5	177	-71.3	-178.7	-179.7	-178.3	0	114.2	I46	I46-K48 PolarHBondContact O-N 2.99Å
49	W	57.7	Low	56.9	Low	154 Å²	154	85.5 Å²	85.5	58%	0.583	40%	0.403	S	S	*	.	B	Isolated β-bridge	trans	-91	114.1	-177.3	-169.7	71.4	0	0	0	111.1	G45 I46 P51 M305	G45-W49 CarbonylContact C-O 3.42Å; G45-W49 VanDerWaalsContact CA-O 3.22Å; G45-W49 WeakPolarHBondContact CA-O 3.39Å; I46-W49 PolarHBondContact N-O 3.06Å; I46-W49 PolarHBondContact O-N 2.94Å; W49-P51 HydrophobicContact CD2-CG 4.39Å; W49-P51 HydrophobicContact CE3-CG 4.16Å; W49-P51 HydrophobicContact CH2-CB 4.32Å; W49-P51 HydrophobicContact CH2-CG 3.78Å; W49-P51 HydrophobicContact CZ2-CB 4.1Å; W49-P51 HydrophobicContact CZ2-CG 4.01Å; W49-P51 HydrophobicContact CZ3-CG 3.85Å; W49-M305 HydrophobicContact CZ3-CE 4.3Å
50	R	61.7	Low	58.3	Low	104 Å²	104	81.1 Å²	81.1	39%	0.392	38%	0.38	S	S	.	.			trans	-133.3	82.9	-176.2	-72.4	165.4	-179.4	-108.8	18.2	109.7	R40 Y43	R40-R50 PolarHBondContact O-NH1 3.42Å; R40-R50 PolarHBondContact O-NH2 3.37Å; Y43-R50 PolarHBondContact O-NH1 3.22Å
51	P	64.8	Low	60.2	Low	21 Å²	21	75.1 Å²	75.1	14%	0.136	36%	0.361	C	S	.	.			trans	-72	147.8	-177.2	30.5	-36.1	0	0	0	112	W49 F53 L54	W49-P51 HydrophobicContact CD2-CG 4.39Å; W49-P51 HydrophobicContact CE3-CG 4.16Å; W49-P51 HydrophobicContact CH2-CB 4.32Å; W49-P51 HydrophobicContact CH2-CG 3.78Å; W49-P51 HydrophobicContact CZ2-CB 4.1Å; W49-P51 HydrophobicContact CZ2-CG 4.01Å; W49-P51 HydrophobicContact CZ3-CG 3.85Å; P51-F53 VanDerWaalsContact C-N 3.32Å; P51-F53 HydrophobicContact CB-CD1 3.82Å; P51-F53 HydrophobicContact CB-CE1 3.41Å; P51-F53 VanDerWaalsContact CB-CE1 3.41Å; P51-F53 HydrophobicContact CB-CZ 4Å; P51-F53 HydrophobicContact CG-CD1 4.38Å; P51-F53 HydrophobicContact CG-CE1 3.75Å; P51-F53 HydrophobicContact CG-CE2 4.48Å; P51-F53 HydrophobicContact CG-CZ 3.79Å; P51-F53 PolarHBondContact O-N 2.87Å; P51-L54 HydrophobicContact CG-CB 4.45Å; P51-L54 HydrophobicContact CG-CD1 3.55Å; P51-L54 HydrophobicContact CG-CG 3.93Å; P51-L54 PolarHBondContact O-N 3.44Å
52	H	52.7	Low	61.9	Low	148 Å²	148	74.5 Å²	74.5	69%	0.685	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-66.1	-28.9	-170.1	-160.4	38.7	0	0	0	114.1	L54 R55	H52-L54 VanDerWaalsContact C-N 3.29Å; H52-L54 PolarHBondContact O-N 3.32Å; H52-R55 PolarHBondContact CE1-NH1 3.09Å; H52-R55 WeakPolarHBondContact O-CB 3.47Å; H52-R55 PolarHBondContact O-N 2.95Å
53	F	61.6	Low	63.6	Low	160 Å²	160	72.3 Å²	72.3	70%	0.702	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-70.2	-20.3	179	65.3	-96.3	0	0	0	113.9	P51 R55	P51-F53 VanDerWaalsContact C-N 3.32Å; P51-F53 HydrophobicContact CB-CD1 3.82Å; P51-F53 HydrophobicContact CB-CE1 3.41Å; P51-F53 VanDerWaalsContact CB-CE1 3.41Å; P51-F53 HydrophobicContact CB-CZ 4Å; P51-F53 HydrophobicContact CG-CD1 4.38Å; P51-F53 HydrophobicContact CG-CE1 3.75Å; P51-F53 HydrophobicContact CG-CE2 4.48Å; P51-F53 HydrophobicContact CG-CZ 3.79Å; P51-F53 PolarHBondContact O-N 2.87Å; F53-R55 VanDerWaalsContact C-N 3.29Å; F53-R55 PolarHBondContact O-N 2.91Å
54	L	55.2	Low	65.1	Low	25 Å²	25	71.4 Å²	71.4	13%	0.131	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-84.7	2.5	178	-66.1	178.2	0	0	0	113.3	C44 P51 H52 G56 S57 M305	C44-L54 HydrophobicContact CB-CB 4.08Å; P51-L54 HydrophobicContact CG-CB 4.45Å; P51-L54 HydrophobicContact CG-CD1 3.55Å; P51-L54 HydrophobicContact CG-CG 3.93Å; P51-L54 PolarHBondContact O-N 3.44Å; H52-L54 VanDerWaalsContact C-N 3.29Å; H52-L54 PolarHBondContact O-N 3.32Å; L54-G56 PolarHBondContact O-N 2.84Å; L54-S57 PolarHBondContact O-N 3.41Å; L54-S57 PolarHBondContact O-OG 2.96Å; L54-M305 HydrophobicContact CD1-CE 3.82Å; L54-M305 HydrophobicContact CD1-SD 3.91Å
55	R	51.9	Low	66.8	Low	128 Å²	128	74.2 Å²	74.2	48%	0.483	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-62	-28.8	-177.7	-139.9	178.4	-167.7	-175.4	2.3	112.5	Y43 H52 F53	Y43-R55 HydrophobicContact CD1-CG 3.55Å; Y43-R55 HydrophobicContact CE1-CG 3.66Å; Y43-R55 PolarHBondContact OH-NH2 2.99Å; H52-R55 PolarHBondContact CE1-NH1 3.09Å; H52-R55 WeakPolarHBondContact O-CB 3.47Å; H52-R55 PolarHBondContact O-N 2.95Å; F53-R55 VanDerWaalsContact C-N 3.29Å; F53-R55 PolarHBondContact O-N 2.91Å
56	G	52.8	Low	68.4	Low	68 Å²	68	74.4 Å²	74.4	70%	0.701	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-82.9	-14.1	179.7	0	0	0	0	0	115.8	L54	L54-G56 PolarHBondContact O-N 2.84Å
57	S	53.8	Low	69.9	Low	40 Å²	40	71.5 Å²	71.5	28%	0.28	36%	0.355	S	S	.	.	S	Bend	trans	-89.5	-5.3	-176.1	63.5	0	0	0	0	114.4	C44 L54 N59 F306	C44-S57 PolarHBondContact SG-OG 3.45Å; C44-S57 VanDerWaalsContact SG-OG 3.41Å; L54-S57 PolarHBondContact O-N 3.41Å; L54-S57 PolarHBondContact O-OG 2.96Å; S57-N59 PolarHBondContact O-N 2.99Å; S57-F306 VanDerWaalsContact O-CE1 3.25Å; S57-F306 WeakPolarHBondContact O-CE1 3.44Å
58	G	56.8	Low	71.7	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.01	33%	0.325	C	S	.	.			trans	-71.8	10.9	176.1	0	0	0	0	0	114.9	C44	C44-G58 WeakPolarHBondContact SG-CA 3.36Å; C44-G58 PolarHBondContact SG-N 2.96Å
59	N	75.2	Confident	73.6	Confident	64 Å²	64	60.3 Å²	60.3	34%	0.342	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-76.9	134.7	178.8	-170.7	-11.8	0	0	0	110.3	S57 M61 A62 F63	S57-N59 PolarHBondContact O-N 2.99Å; N59-M61 PolarHBondContact O-N 3.19Å; N59-M61 VanDerWaalsContact O-N 3.1Å; N59-M61 PolarHBondContact OD1-N 2.64Å; N59-A62 WeakPolarHBondContact O-CB 3.34Å; N59-A62 PolarHBondContact O-N 3.49Å; N59-F63 PolarHBondContact O-N 3.03Å
60	L	81.1	Confident	75.4	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-46	-37.4	171	172.3	76.9	0	0	0	113.2	A62 F63 L64 H227 V228 M236 L310 F313	L60-A62 VanDerWaalsContact C-N 3.34Å; L60-A62 PolarHBondContact O-N 3.33Å; L60-F63 PolarHBondContact O-N 3.44Å; L60-L64 WeakPolarHBondContact O-CB 3.48Å; L60-L64 PolarHBondContact O-N 3.08Å; L60-H227 HydrophobicContact CD1-CB 4.23Å; L60-V228 HydrophobicContact CD1-CG2 3.91Å; L60-V228 HydrophobicContact CD2-CG2 3.26Å; L60-V228 HydrophobicContact CG-CG2 4.15Å; L60-M236 HydrophobicContact CD2-SD 4.21Å; L60-L310 HydrophobicContact CD1-CD1 3.83Å; L60-F313 HydrophobicContact CD2-CD2 4.34Å; L60-F313 HydrophobicContact CD2-CE2 4.24Å
61	M	84.4	Confident	77	Confident	79 Å²	79	48.1 Å²	48.1	39%	0.389	27%	0.267	S	S	.	.	H	α-helix	trans	-66.3	-35.3	179.1	-65.8	-63.4	176.4	0	0	112.9	N59 L64 A65 M236 F313	N59-M61 PolarHBondContact O-N 3.19Å; N59-M61 VanDerWaalsContact O-N 3.1Å; N59-M61 PolarHBondContact OD1-N 2.64Å; M61-L64 PolarHBondContact O-N 3.05Å; M61-A65 WeakPolarHBondContact O-CB 3.41Å; M61-A65 PolarHBondContact O-N 3.24Å; M61-M236 HydrophobicContact CE-CE 3.35Å; M61-M236 HydrophobicContact SD-CE 4.2Å; M61-F313 HydrophobicContact CE-CE2 3.71Å; M61-F313 HydrophobicContact CE-CZ 3.82Å; M61-F313 HydrophobicContact CG-CE2 4.37Å; M61-F313 HydrophobicContact CG-CZ 4.22Å
62	A	86.8	Confident	78.4	Confident	36 Å²	36	48 Å²	48	30%	0.298	27%	0.266	S	S	.	.	H	α-helix	trans	-69.9	-39.6	175.5	0	0	0	0	0	110.9	N59 L60 A65 A66 F306	N59-A62 WeakPolarHBondContact O-CB 3.34Å; N59-A62 PolarHBondContact O-N 3.49Å; L60-A62 VanDerWaalsContact C-N 3.34Å; L60-A62 PolarHBondContact O-N 3.33Å; A62-A65 PolarHBondContact O-N 2.95Å; A62-A66 WeakPolarHBondContact O-CB 3.42Å; A62-A66 PolarHBondContact O-N 3.45Å; A62-F306 HydrophobicContact CB-CE1 4.21Å; A62-F306 HydrophobicContact CB-CZ 4.12Å
63	F	89.8	Confident	80.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.5	-46.9	172.4	176.1	-93.8	0	0	0	111.3	N59 L60 A65 A66 A67 P127 I130 T220 F223 I224 L303 F306 L310	N59-F63 PolarHBondContact O-N 3.03Å; L60-F63 PolarHBondContact O-N 3.44Å; F63-A65 PolarHBondContact O-N 3.19Å; F63-A66 PolarHBondContact O-N 3.44Å; F63-A67 HydrophobicContact CE1-CB 4.35Å; F63-A67 VanDerWaalsContact O-CB 3.26Å; F63-A67 WeakPolarHBondContact O-CB 3.37Å; F63-A67 PolarHBondContact O-N 3.46Å; F63-P127 HydrophobicContact CE2-CG 4.31Å; F63-I130 HydrophobicContact CZ-CD1 4.32Å; F63-T220 HydrophobicContact CE1-CG2 3.94Å; F63-T220 HydrophobicContact CZ-CG2 4.19Å; F63-F223 HydrophobicContact CD1-CD1 4.2Å; F63-F223 HydrophobicContact CD1-CE1 4.05Å; F63-F223 HydrophobicContact CD2-CE1 4.23Å; F63-F223 AromaticContact CE1-CD1 3.46Å; F63-F223 HydrophobicContact CE1-CD1 3.46Å; F63-F223 VanDerWaalsContact CE1-CD1 3.46Å; F63-F223 AromaticContact CE1-CE1 3.67Å; F63-F223 HydrophobicContact CE1-CE1 3.67Å; F63-F223 HydrophobicContact CE2-CD1 4.24Å; F63-F223 AromaticContact CE2-CE1 3.85Å; F63-F223 HydrophobicContact CE2-CE1 3.85Å; F63-F223 HydrophobicContact CG-CE1 4.33Å; F63-F223 AromaticContact CZ-CD1 3.49Å; F63-F223 HydrophobicContact CZ-CD1 3.49Å; F63-F223 VanDerWaalsContact CZ-CD1 3.49Å; F63-F223 AromaticContact CZ-CE1 3.56Å; F63-F223 HydrophobicContact CZ-CE1 3.56Å; F63-I224 HydrophobicContact CE1-CG1 4.31Å; F63-L303 HydrophobicContact CD2-CD2 3.93Å; F63-L303 HydrophobicContact CE2-CD2 3.91Å; F63-F306 HydrophobicContact CB-CD1 3.95Å; F63-F306 HydrophobicContact CB-CE1 3.68Å; F63-F306 HydrophobicContact CB-CZ 4.22Å; F63-F306 HydrophobicContact CD2-CD1 4.23Å; F63-F306 HydrophobicContact CD2-CG 4.22Å; F63-L310 HydrophobicContact CB-CD1 4.37Å; F63-L310 HydrophobicContact CB-CD2 3.84Å; F63-L310 HydrophobicContact CD1-CD1 4.28Å; F63-L310 HydrophobicContact CG-CD1 4.25Å; F63-L310 HydrophobicContact CG-CD2 4.37Å
64	L	91.2	Very high	82.1	Confident	18 Å²	18	34.6 Å²	34.6	9%	0.094	21%	0.206	C	C	.	.	H	α-helix	trans	-60.4	-46.4	178	-179.4	63.9	0	0	0	111.4	L60 M61 A66 A67 C68 I224 M236	L60-L64 WeakPolarHBondContact O-CB 3.48Å; L60-L64 PolarHBondContact O-N 3.08Å; M61-L64 PolarHBondContact O-N 3.05Å; L64-A66 PolarHBondContact O-N 3.48Å; L64-A67 PolarHBondContact O-N 3.36Å; L64-C68 WeakPolarHBondContact O-CB 3.46Å; L64-C68 PolarHBondContact O-N 2.96Å; L64-C68 PolarHBondContact O-SG 2.85Å; L64-I224 HydrophobicContact CD1-CD1 3.65Å; L64-M236 HydrophobicContact CD1-CB 4.39Å; L64-M236 HydrophobicContact CD2-CB 3.9Å; L64-M236 HydrophobicContact CD2-CG 3.78Å; L64-M236 HydrophobicContact CD2-SD 4.19Å
65	A	92	Very high	84	Confident	63 Å²	63	34 Å²	34	52%	0.521	21%	0.205	S	C	.	.	H	α-helix	trans	-60.4	-45.7	177.4	0	0	0	0	0	112	M61 A62 F63 C68 F69	M61-A65 WeakPolarHBondContact O-CB 3.41Å; M61-A65 PolarHBondContact O-N 3.24Å; A62-A65 PolarHBondContact O-N 2.95Å; F63-A65 PolarHBondContact O-N 3.19Å; A65-C68 PolarHBondContact O-N 3.06Å; A65-F69 WeakPolarHBondContact O-CB 3.47Å; A65-F69 PolarHBondContact O-N 3.05Å
66	A	92.4	Very high	86.1	Confident	18 Å²	18	28 Å²	28	15%	0.149	18%	0.182	C	C	.	.	H	α-helix	trans	-62.7	-44.7	175.8	0	0	0	0	0	111.7	A62 F63 L64 F69 I70 L303	A62-A66 WeakPolarHBondContact O-CB 3.42Å; A62-A66 PolarHBondContact O-N 3.45Å; F63-A66 PolarHBondContact O-N 3.44Å; L64-A66 PolarHBondContact O-N 3.48Å; A66-F69 PolarHBondContact O-N 2.97Å; A66-I70 WeakPolarHBondContact O-CB 3.43Å; A66-I70 WeakPolarHBondContact O-CD1 3.46Å; A66-I70 WeakPolarHBondContact O-CG1 3.49Å; A66-I70 PolarHBondContact O-N 3.14Å; A66-L303 HydrophobicContact CB-CD2 4.01Å
67	A	93.2	Very high	88.2	Confident	1 Å²	1	25.1 Å²	25.1	1%	0.008	15%	0.15	C	C	.	.	H	α-helix	trans	-64.3	-41.2	178.8	0	0	0	0	0	112.2	F63 L64 S71 T220 L240	F63-A67 HydrophobicContact CE1-CB 4.35Å; F63-A67 VanDerWaalsContact O-CB 3.26Å; F63-A67 WeakPolarHBondContact O-CB 3.37Å; F63-A67 PolarHBondContact O-N 3.46Å; L64-A67 PolarHBondContact O-N 3.36Å; A67-S71 VanDerWaalsContact O-CB 3.24Å; A67-S71 WeakPolarHBondContact O-CB 3.18Å; A67-S71 PolarHBondContact O-N 2.91Å; A67-S71 PolarHBondContact O-OG 3.48Å; A67-T220 HydrophobicContact CB-CG2 3.78Å; A67-L240 HydrophobicContact CB-CD1 3.99Å
68	C	94.6	Very high	90.1	Very high	20 Å²	20	26.6 Å²	26.6	14%	0.135	16%	0.161	C	C	.	.	H	α-helix	trans	-62	-47.6	174.1	-72.9	0	0	0	0	111.5	L64 A65 S71 C72 A243	L64-C68 WeakPolarHBondContact O-CB 3.46Å; L64-C68 PolarHBondContact O-N 2.96Å; L64-C68 PolarHBondContact O-SG 2.85Å; A65-C68 PolarHBondContact O-N 3.06Å; C68-S71 PolarHBondContact O-N 2.92Å; C68-C72 WeakPolarHBondContact O-CB 3.42Å; C68-C72 PolarHBondContact O-N 3.22Å; C68-A243 HydrophobicContact CB-CB 3.8Å; C68-A243 WeakPolarHBondContact O-CB 3.32Å
69	F	95.1	Very high	92	Very high	118 Å²	118	26.5 Å²	26.5	52%	0.518	16%	0.16	S	C	.	.	H	α-helix	trans	-61.2	-46.7	178.4	-179.4	-107.3	0	0	0	111.8	A65 A66 C72 L73	A65-F69 WeakPolarHBondContact O-CB 3.47Å; A65-F69 PolarHBondContact O-N 3.05Å; A66-F69 PolarHBondContact O-N 2.97Å; F69-C72 WeakPolarHBondContact O-CB 3.33Å; F69-C72 PolarHBondContact O-N 2.84Å; F69-L73 HydrophobicContact CD1-CD1 3.87Å; F69-L73 HydrophobicContact CE1-CD1 3.39Å; F69-L73 HydrophobicContact CE1-CG 4.18Å; F69-L73 HydrophobicContact CZ-CD1 3.81Å; F69-L73 HydrophobicContact CZ-CD2 4.41Å; F69-L73 HydrophobicContact CZ-CG 4.22Å; F69-L73 WeakPolarHBondContact O-CG 3.33Å; F69-L73 PolarHBondContact O-N 3.38Å
70	I	95.7	Very high	93	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-70	-37.6	-179.4	-63.6	164.1	0	0	0	111.5	A66 C72 L73 Q74 L134 I216 G299 L303	A66-I70 WeakPolarHBondContact O-CB 3.43Å; A66-I70 WeakPolarHBondContact O-CD1 3.46Å; A66-I70 WeakPolarHBondContact O-CG1 3.49Å; A66-I70 PolarHBondContact O-N 3.14Å; I70-C72 VanDerWaalsContact C-N 3.29Å; I70-C72 PolarHBondContact O-N 2.94Å; I70-L73 PolarHBondContact O-N 3.13Å; I70-Q74 VanDerWaalsContact O-CB 3.32Å; I70-Q74 WeakPolarHBondContact O-CB 3.37Å; I70-Q74 PolarHBondContact O-N 2.95Å; I70-L134 HydrophobicContact CD1-CD1 4.24Å; I70-L134 HydrophobicContact CG2-CD1 3.68Å; I70-L134 HydrophobicContact CG2-CD2 3.48Å; I70-L134 VanDerWaalsContact CG2-CD2 3.48Å; I70-L134 HydrophobicContact CG2-CG 4.23Å; I70-I216 HydrophobicContact CB-CD1 3.75Å; I70-I216 HydrophobicContact CG2-CD1 3.39Å; I70-G299 WeakPolarHBondContact CD1-O 3.48Å; I70-L303 HydrophobicContact CD1-CD1 3.42Å; I70-L303 VanDerWaalsContact CD1-CD1 3.42Å; I70-L303 HydrophobicContact CD1-CD2 4.45Å; I70-L303 HydrophobicContact CD1-CG 3.6Å
71	S	94.9	Very high	93.7	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.1	-35.3	176.3	-53.9	0	0	0	0	111.5	A67 C68 A75 I216 L240 S244	A67-S71 VanDerWaalsContact O-CB 3.24Å; A67-S71 WeakPolarHBondContact O-CB 3.18Å; A67-S71 PolarHBondContact O-N 2.91Å; A67-S71 PolarHBondContact O-OG 3.48Å; C68-S71 PolarHBondContact O-N 2.92Å; S71-A75 WeakPolarHBondContact O-CB 3.17Å; S71-A75 PolarHBondContact O-N 2.69Å; S71-I216 WeakPolarHBondContact OG-CD1 3.35Å; S71-L240 VanDerWaalsContact OG-CD1 3.28Å; S71-L240 WeakPolarHBondContact OG-CD1 3.38Å; S71-S244 VanDerWaalsContact CB-OG 3.22Å; S71-S244 WeakPolarHBondContact CB-OG 3.39Å
72	C	95.9	Very high	94.3	Very high	17 Å²	17	20.7 Å²	20.7	12%	0.115	13%	0.131	C	C	.	.	H	α-helix	trans	-61.5	-52.4	170.2	-174.1	0	0	0	0	111.2	C68 F69 I70 Q74 A75 S76 A243 G247 I250	C68-C72 WeakPolarHBondContact O-CB 3.42Å; C68-C72 PolarHBondContact O-N 3.22Å; F69-C72 WeakPolarHBondContact O-CB 3.33Å; F69-C72 PolarHBondContact O-N 2.84Å; I70-C72 VanDerWaalsContact C-N 3.29Å; I70-C72 PolarHBondContact O-N 2.94Å; C72-Q74 VanDerWaalsContact C-N 3.3Å; C72-Q74 PolarHBondContact O-N 3.05Å; C72-A75 PolarHBondContact O-N 3.07Å; C72-A75 VanDerWaalsContact O-N 3.16Å; C72-S76 PolarHBondContact O-N 3.35Å; C72-S76 PolarHBondContact O-OG 2.89Å; C72-A243 HydrophobicContact CB-CB 4.46Å; C72-A243 WeakPolarHBondContact CB-O 3.38Å; C72-A243 PolarHBondContact SG-O 3.49Å; C72-G247 VanDerWaalsContact O-CA 3.3Å; C72-G247 WeakPolarHBondContact O-CA 3.42Å; C72-I250 WeakPolarHBondContact SG-CD1 3.35Å
73	L	96.4	Very high	94.7	Very high	13 Å²	13	19 Å²	19	7%	0.068	12%	0.118	C	C	.	.	H	α-helix	trans	-57.2	-41.8	176.4	-72.1	175.7	0	0	0	112.8	F69 I70 S76 F77 L292 L295 V296	F69-L73 HydrophobicContact CD1-CD1 3.87Å; F69-L73 HydrophobicContact CE1-CD1 3.39Å; F69-L73 HydrophobicContact CE1-CG 4.18Å; F69-L73 HydrophobicContact CZ-CD1 3.81Å; F69-L73 HydrophobicContact CZ-CD2 4.41Å; F69-L73 HydrophobicContact CZ-CG 4.22Å; F69-L73 WeakPolarHBondContact O-CG 3.33Å; F69-L73 PolarHBondContact O-N 3.38Å; I70-L73 PolarHBondContact O-N 3.13Å; L73-S76 WeakPolarHBondContact O-CB 3.3Å; L73-S76 PolarHBondContact O-N 3.2Å; L73-F77 WeakPolarHBondContact O-CD2 3.48Å; L73-L292 HydrophobicContact CD2-CD2 4.08Å; L73-L295 HydrophobicContact CD1-CB 3.69Å; L73-L295 HydrophobicContact CD2-CB 4.21Å; L73-L295 HydrophobicContact CD2-CD1 3.9Å; L73-V296 HydrophobicContact CB-CG2 4.06Å; L73-V296 HydrophobicContact CD1-CG2 4.49Å
74	Q	95.3	Very high	95	Very high	15 Å²	15	19 Å²	19	7%	0.07	12%	0.118	C	C	.	.	H	α-helix	trans	-60.7	-46.2	177.6	176.6	-80.7	-60.6	0	0	110.9	I70 C72 S76 F77 M137 I216	I70-Q74 VanDerWaalsContact O-CB 3.32Å; I70-Q74 WeakPolarHBondContact O-CB 3.37Å; I70-Q74 PolarHBondContact O-N 2.95Å; C72-Q74 VanDerWaalsContact C-N 3.3Å; C72-Q74 PolarHBondContact O-N 3.05Å; Q74-S76 VanDerWaalsContact C-N 3.3Å; Q74-S76 PolarHBondContact O-N 3.45Å; Q74-F77 PolarHBondContact O-N 2.94Å; Q74-M137 HydrophobicContact CB-CE 4Å; Q74-M137 HydrophobicContact CB-SD 4.23Å; Q74-M137 HydrophobicContact CG-CE 3.8Å; Q74-M137 HydrophobicContact CG-SD 3.75Å; Q74-I216 HydrophobicContact CG-CG2 4.39Å
75	A	95.1	Very high	95.2	Very high	13 Å²	13	18.3 Å²	18.3	11%	0.107	11%	0.114	C	C	.	.	H	α-helix	trans	-71.6	-23.8	178.8	0	0	0	0	0	112.9	S71 C72 F77 S78 S244	S71-A75 WeakPolarHBondContact O-CB 3.17Å; S71-A75 PolarHBondContact O-N 2.69Å; C72-A75 PolarHBondContact O-N 3.07Å; C72-A75 VanDerWaalsContact O-N 3.16Å; A75-F77 PolarHBondContact O-N 3.39Å; A75-S78 WeakPolarHBondContact O-CB 3.23Å; A75-S78 PolarHBondContact O-N 3.49Å; A75-S78 VanDerWaalsContact O-N 3.14Å; A75-S244 WeakPolarHBondContact CB-O 3.47Å
76	S	96.6	Very high	95.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.4	-27.4	173.1	-57.3	0	0	0	0	114.2	C72 L73 Q74 S78 G79 Y80 G247 G251	C72-S76 PolarHBondContact O-N 3.35Å; C72-S76 PolarHBondContact O-OG 2.89Å; L73-S76 WeakPolarHBondContact O-CB 3.3Å; L73-S76 PolarHBondContact O-N 3.2Å; Q74-S76 VanDerWaalsContact C-N 3.3Å; Q74-S76 PolarHBondContact O-N 3.45Å; S76-S78 PolarHBondContact O-N 3.08Å; S76-G79 PolarHBondContact O-N 3.31Å; S76-Y80 WeakPolarHBondContact O-CB 3.49Å; S76-Y80 PolarHBondContact O-N 3.06Å; S76-G247 WeakPolarHBondContact CA-O 3.06Å; S76-G247 PolarHBondContact OG-O 2.92Å; S76-G247 VanDerWaalsContact OG-O 3.07Å; S76-G251 WeakPolarHBondContact O-CA 3.41Å
77	F	96.8	Very high	95.1	Very high	8 Å²	8	14.8 Å²	14.8	4%	0.035	8%	0.084	C	C	.	.	H	α-helix	trans	-59.3	-34	174.9	-80.3	-94.1	0	0	0	112.6	L73 Q74 A75 T81 M137 I209 F289 L292 V296	L73-F77 WeakPolarHBondContact O-CD2 3.48Å; Q74-F77 PolarHBondContact O-N 2.94Å; A75-F77 PolarHBondContact O-N 3.39Å; F77-T81 VanDerWaalsContact O-CB 3.27Å; F77-T81 WeakPolarHBondContact O-CB 3.48Å; F77-T81 PolarHBondContact O-N 3.44Å; F77-T81 PolarHBondContact O-OG1 2.9Å; F77-M137 HydrophobicContact CD2-CE 3.14Å; F77-M137 HydrophobicContact CE2-CE 3.24Å; F77-M137 HydrophobicContact CG-CE 3.85Å; F77-M137 HydrophobicContact CZ-CE 4.01Å; F77-I209 HydrophobicContact CD1-CD1 4.32Å; F77-I209 HydrophobicContact CE1-CD1 4.4Å; F77-F289 AromaticContact CD1-CD1 3.84Å; F77-F289 HydrophobicContact CD1-CD1 3.84Å; F77-F289 AromaticContact CD1-CE1 3.89Å; F77-F289 HydrophobicContact CD1-CE1 3.89Å; F77-F289 AromaticContact CE1-CD1 3.8Å; F77-F289 HydrophobicContact CE1-CD1 3.8Å; F77-F289 HydrophobicContact CE1-CE1 4.33Å; F77-L292 HydrophobicContact CD1-CD1 4.42Å; F77-L292 HydrophobicContact CD2-CB 4.29Å; F77-L292 HydrophobicContact CD2-CD1 4.21Å; F77-L292 HydrophobicContact CE1-CB 4.04Å; F77-L292 HydrophobicContact CE1-CD1 4.49Å; F77-L292 HydrophobicContact CE2-CB 3.54Å; F77-L292 HydrophobicContact CE2-CD1 4.3Å; F77-L292 HydrophobicContact CE2-CG 4.47Å; F77-L292 HydrophobicContact CG-CD1 4.3Å; F77-L292 HydrophobicContact CZ-CB 3.41Å; F77-L292 VanDerWaalsContact CZ-CB 3.41Å; F77-L292 HydrophobicContact CZ-CD1 4.45Å; F77-V296 HydrophobicContact CE2-CG2 4.03Å
78	S	93.7	Very high	95.1	Very high	71 Å²	71	15.1 Å²	15.1	50%	0.497	9%	0.086	S	C	.	.	H	α-helix	trans	-66.8	-48.3	179.5	175.8	0	0	0	0	111.7	A75 S76 S82	A75-S78 WeakPolarHBondContact O-CB 3.23Å; A75-S78 PolarHBondContact O-N 3.49Å; A75-S78 VanDerWaalsContact O-N 3.14Å; S76-S78 PolarHBondContact O-N 3.08Å; S78-S82 WeakPolarHBondContact O-CB 3.39Å; S78-S82 PolarHBondContact O-N 3.31Å; S78-S82 VanDerWaalsContact O-N 3.12Å; S78-S82 PolarHBondContact O-OG 3.31Å
79	G	95.2	Very high	94.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-65	-40.4	176	0	0	0	0	0	112.4	S76 S82 S83 F252	S76-G79 PolarHBondContact O-N 3.31Å; G79-S82 PolarHBondContact O-N 3.09Å; G79-S83 PolarHBondContact O-N 3.39Å; G79-S83 VanDerWaalsContact O-N 3.13Å; G79-F252 WeakPolarHBondContact O-CD1 3.49Å
80	Y	97.6	Very high	94.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.5	-50.9	177.4	-170.9	-109.6	0	0	0	111.2	S76 S82 S83 Q84 G251 L254 L258 A284 W285 G288 F289 L292	S76-Y80 WeakPolarHBondContact O-CB 3.49Å; S76-Y80 PolarHBondContact O-N 3.06Å; Y80-S82 VanDerWaalsContact C-N 3.29Å; Y80-S82 PolarHBondContact O-N 3.31Å; Y80-S83 PolarHBondContact O-N 3.14Å; Y80-S83 PolarHBondContact O-OG 3.44Å; Y80-Q84 HydrophobicContact CD1-CG 4.34Å; Y80-Q84 HydrophobicContact CE1-CG 3.97Å; Y80-Q84 HydrophobicContact CE2-CG 4.25Å; Y80-Q84 WeakPolarHBondContact O-CG 3.41Å; Y80-Q84 PolarHBondContact O-N 3.14Å; Y80-G251 WeakPolarHBondContact CA-O 3.37Å; Y80-L254 HydrophobicContact CD2-CB 4.42Å; Y80-L254 HydrophobicContact CD2-CD2 4.25Å; Y80-L254 HydrophobicContact CD2-CG 4.17Å; Y80-L254 HydrophobicContact CE2-CD2 4.49Å; Y80-L254 HydrophobicContact CE2-CG 4.21Å; Y80-L258 HydrophobicContact CE2-CD1 3.85Å; Y80-L258 WeakPolarHBondContact OH-CD1 3.33Å; Y80-A284 PolarHBondContact OH-O 3.31Å; Y80-W285 WeakPolarHBondContact CE1-O 3.41Å; Y80-W285 VanDerWaalsContact OH-C 3.27Å; Y80-W285 PolarHBondContact OH-O 2.85Å; Y80-G288 WeakPolarHBondContact OH-CA 3.37Å; Y80-G288 PolarHBondContact OH-N 3.31Å; Y80-F289 AromaticContact CD1-CD2 3.9Å; Y80-F289 HydrophobicContact CD1-CD2 3.9Å; Y80-F289 HydrophobicContact CD1-CE1 4.4Å; Y80-F289 AromaticContact CD1-CE2 3.65Å; Y80-F289 HydrophobicContact CD1-CE2 3.65Å; Y80-F289 HydrophobicContact CD1-CG 4.35Å; Y80-F289 AromaticContact CD1-CZ 3.91Å; Y80-F289 HydrophobicContact CD1-CZ 3.91Å; Y80-F289 AromaticContact CE1-CD2 3.48Å; Y80-F289 HydrophobicContact CE1-CD2 3.48Å; Y80-F289 VanDerWaalsContact CE1-CD2 3.48Å; Y80-F289 AromaticContact CE1-CE2 3.53Å; Y80-F289 HydrophobicContact CE1-CE2 3.53Å; Y80-F289 HydrophobicContact CE1-CG 4.17Å; Y80-F289 HydrophobicContact CE1-CZ 4.27Å; Y80-L292 HydrophobicContact CG-CD1 4.45Å
81	T	95.9	Very high	94	Very high	13 Å²	13	11.9 Å²	11.9	8%	0.08	7%	0.069	C	C	.	.	H	α-helix	trans	-54.4	-45.2	177.8	-59.3	0	0	0	0	112	F77 S83 Q84 N103 W144	F77-T81 VanDerWaalsContact O-CB 3.27Å; F77-T81 WeakPolarHBondContact O-CB 3.48Å; F77-T81 PolarHBondContact O-N 3.44Å; F77-T81 PolarHBondContact O-OG1 2.9Å; T81-S83 VanDerWaalsContact C-N 3.29Å; T81-S83 PolarHBondContact O-N 2.92Å; T81-Q84 PolarHBondContact O-N 3.41Å; T81-N103 WeakPolarHBondContact CG2-OD1 3.42Å; T81-W144 HydrophobicContact CG2-CH2 3.63Å; T81-W144 HydrophobicContact CG2-CZ2 3.83Å; T81-W144 WeakPolarHBondContact OG1-CH2 3.41Å
82	S	95.8	Very high	93.6	Very high	8 Å²	8	13 Å²	13	6%	0.056	7%	0.074	C	C	.	.	H	α-helix	trans	-64.6	-32.3	-179.7	-54.1	0	0	0	0	112.7	S78 G79 Y80 V85	S78-S82 WeakPolarHBondContact O-CB 3.39Å; S78-S82 PolarHBondContact O-N 3.31Å; S78-S82 VanDerWaalsContact O-N 3.12Å; S78-S82 PolarHBondContact O-OG 3.31Å; G79-S82 PolarHBondContact O-N 3.09Å; Y80-S82 VanDerWaalsContact C-N 3.29Å; Y80-S82 PolarHBondContact O-N 3.31Å; S82-V85 WeakPolarHBondContact O-CG2 3.47Å
83	S	95.9	Very high	93.2	Very high	2 Å²	2	13 Å²	13	1%	0.014	8%	0.076	C	C	.	.	H	α-helix	trans	-71.8	-25.9	176.1	71.3	0	0	0	0	114	G79 Y80 T81 G255 S454	G79-S83 PolarHBondContact O-N 3.39Å; G79-S83 VanDerWaalsContact O-N 3.13Å; Y80-S83 PolarHBondContact O-N 3.14Å; Y80-S83 PolarHBondContact O-OG 3.44Å; T81-S83 VanDerWaalsContact C-N 3.29Å; T81-S83 PolarHBondContact O-N 2.92Å; S83-G255 VanDerWaalsContact OG-CA 3.31Å; S83-G255 WeakPolarHBondContact OG-CA 3.25Å; S83-S454 WeakPolarHBondContact CB-OG 3.43Å
84	Q	95.3	Very high	92.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-3.1	-172.4	-58.6	-48.2	-52.9	0	0	114.3	Y80 T81 T86 T87 L88 W285	Y80-Q84 HydrophobicContact CD1-CG 4.34Å; Y80-Q84 HydrophobicContact CE1-CG 3.97Å; Y80-Q84 HydrophobicContact CE2-CG 4.25Å; Y80-Q84 WeakPolarHBondContact O-CG 3.41Å; Y80-Q84 PolarHBondContact O-N 3.14Å; T81-Q84 PolarHBondContact O-N 3.41Å; Q84-T86 PolarHBondContact O-N 3.16Å; Q84-T87 PolarHBondContact O-N 3.05Å; Q84-T87 VanDerWaalsContact O-N 3.13Å; Q84-L88 HydrophobicContact CB-CD1 4.28Å; Q84-L88 HydrophobicContact CB-CG 4.5Å; Q84-L88 PolarHBondContact O-N 3.19Å; Q84-W285 HydrophobicContact CB-CB 4.17Å; Q84-W285 HydrophobicContact CG-CB 4.07Å; Q84-W285 VanDerWaalsContact OE1-CA 3.29Å; Q84-W285 VanDerWaalsContact OE1-CB 3.26Å
85	V	95	Very high	92.7	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.012	7%	0.074	C	C	.	.	H	α-helix	trans	-50.6	-55	-171.7	172.5	0	0	0	0	112.6	S82 T87 L88 E89 I99 F437 K440	S82-V85 WeakPolarHBondContact O-CG2 3.47Å; V85-T87 VanDerWaalsContact C-N 3.28Å; V85-T87 PolarHBondContact O-N 3.34Å; V85-L88 PolarHBondContact O-N 3.43Å; V85-E89 HydrophobicContact CG1-CG 4.45Å; V85-E89 WeakPolarHBondContact CG1-OE1 3.43Å; V85-E89 WeakPolarHBondContact O-CG 3.28Å; V85-E89 PolarHBondContact O-N 3.24Å; V85-I99 HydrophobicContact CG1-CG2 4.03Å; V85-I99 HydrophobicContact CG2-CG2 4.05Å; V85-F437 HydrophobicContact CG1-CD1 3.95Å; V85-F437 HydrophobicContact CG1-CE1 3.94Å; V85-K440 HydrophobicContact CG1-CB 4.49Å; V85-K440 HydrophobicContact CG1-CD 3.93Å
86	T	92.2	Very high	92.8	Very high	8 Å²	8	11.7 Å²	11.7	5%	0.049	7%	0.069	C	C	.	.	H	α-helix	trans	-69.3	-26.7	-175.4	58.8	0	0	0	0	113.3	Q84 K90 K440 E443	Q84-T86 PolarHBondContact O-N 3.16Å; T86-K90 WeakPolarHBondContact O-CB 3.39Å; T86-K90 VanDerWaalsContact O-CG 3.32Å; T86-K90 WeakPolarHBondContact O-CG 3.44Å; T86-K90 PolarHBondContact O-N 3.44Å; T86-K440 HydrophobicContact CG2-CB 3.54Å; T86-K440 HydrophobicContact CG2-CD 3.94Å; T86-K440 HydrophobicContact CG2-CG 3.56Å; T86-E443 WeakPolarHBondContact CB-OE2 3.47Å; T86-E443 WeakPolarHBondContact CG2-OE2 3.44Å; T86-E443 PolarHBondContact OG1-OE2 2.78Å
87	T	91.5	Very high	92.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-73.5	-39.6	173.6	-65.1	0	0	0	0	111.5	Q84 V85 R91 L259 I282 W285 K450	Q84-T87 PolarHBondContact O-N 3.05Å; Q84-T87 VanDerWaalsContact O-N 3.13Å; V85-T87 VanDerWaalsContact C-N 3.28Å; V85-T87 PolarHBondContact O-N 3.34Å; T87-R91 VanDerWaalsContact O-CB 3.26Å; T87-R91 WeakPolarHBondContact O-CB 3.4Å; T87-R91 PolarHBondContact O-N 3.24Å; T87-L259 VanDerWaalsContact OG1-CD2 3.27Å; T87-L259 WeakPolarHBondContact OG1-CD2 3.4Å; T87-I282 HydrophobicContact CG2-CB 4.34Å; T87-I282 HydrophobicContact CG2-CG2 3.5Å; T87-I282 VanDerWaalsContact CG2-CG2 3.5Å; T87-W285 HydrophobicContact CG2-CB 4.04Å; T87-W285 HydrophobicContact CG2-CG 4.11Å; T87-K450 WeakPolarHBondContact OG1-CD 3.48Å; T87-K450 PolarHBondContact OG1-NZ 3.45Å
88	L	92	Very high	92.6	Very high	8 Å²	8	14.4 Å²	14.4	4%	0.042	9%	0.087	C	C	.	.	H	α-helix	trans	-66.6	-43.6	175.7	-75.7	168.6	0	0	0	112	Q84 V85 R91 F92 I99 F202 W285	Q84-L88 HydrophobicContact CB-CD1 4.28Å; Q84-L88 HydrophobicContact CB-CG 4.5Å; Q84-L88 PolarHBondContact O-N 3.19Å; V85-L88 PolarHBondContact O-N 3.43Å; L88-R91 PolarHBondContact O-N 2.9Å; L88-F92 HydrophobicContact CD2-CD2 4.08Å; L88-F92 HydrophobicContact CD2-CE2 3.83Å; L88-F92 WeakPolarHBondContact O-CD2 3.48Å; L88-F92 PolarHBondContact O-N 3.5Å; L88-I99 HydrophobicContact CB-CD1 3.93Å; L88-I99 HydrophobicContact CD1-CD1 4.44Å; L88-F202 HydrophobicContact CD2-CE1 4.45Å; L88-F202 HydrophobicContact CD2-CZ 4.13Å; L88-W285 HydrophobicContact CD2-CD2 3.8Å; L88-W285 HydrophobicContact CD2-CE3 3.65Å; L88-W285 HydrophobicContact CD2-CG 4.39Å; L88-W285 HydrophobicContact CD2-CH2 4.3Å; L88-W285 HydrophobicContact CD2-CZ2 4.43Å; L88-W285 HydrophobicContact CD2-CZ3 3.92Å
89	E	90.5	Very high	92.7	Very high	9 Å²	9	11.2 Å²	11.2	4%	0.042	7%	0.065	C	C	.	.	H	α-helix	trans	-58.9	-50	176.8	-70.8	171.8	167.4	0	0	111.6	V85 R91 A93 I94 S96 I99 K440 D692	V85-E89 HydrophobicContact CG1-CG 4.45Å; V85-E89 WeakPolarHBondContact CG1-OE1 3.43Å; V85-E89 WeakPolarHBondContact O-CG 3.28Å; V85-E89 PolarHBondContact O-N 3.24Å; E89-R91 PolarHBondContact O-N 2.8Å; E89-A93 WeakPolarHBondContact O-CA 3.27Å; E89-A93 PolarHBondContact O-N 3.1Å; E89-I94 WeakPolarHBondContact CB-O 3.42Å; E89-I94 HydrophobicContact CG-CG1 4.49Å; E89-I94 WeakPolarHBondContact CG-O 3.42Å; E89-I94 PolarHBondContact O-N 2.87Å; E89-S96 WeakPolarHBondContact OE1-CA 3.48Å; E89-S96 WeakPolarHBondContact OE1-CB 3.47Å; E89-S96 PolarHBondContact OE1-N 2.94Å; E89-I99 HydrophobicContact CG-CD1 4.37Å; E89-I99 HydrophobicContact CG-CG1 3.7Å; E89-K440 IonicContact OE1-NZ 2.96Å; E89-K440 PolarHBondContact OE1-NZ 3.02Å; E89-K440 VanDerWaalsContact OE2-CE 3.27Å; E89-K440 WeakPolarHBondContact OE2-CE 3.42Å; E89-K440 IonicContact OE2-NZ 2.69Å; E89-K440 PolarHBondContact OE2-NZ 2.98Å; E89-D692 HydrophobicContact CB-CB 4.31Å
90	K	87.5	Confident	92.8	Very high	44 Å²	44	11.2 Å²	11.2	19%	0.191	7%	0.065	C	C	.	.	H	α-helix	trans	-62.2	-41.5	175.8	-72.3	-178.4	-176.7	-178.6	0	112	T86 P279 E443	T86-K90 WeakPolarHBondContact O-CB 3.39Å; T86-K90 VanDerWaalsContact O-CG 3.32Å; T86-K90 WeakPolarHBondContact O-CG 3.44Å; T86-K90 PolarHBondContact O-N 3.44Å; K90-P279 PolarHBondContact NZ-O 3.37Å; K90-E443 IonicContact NZ-OE1 2.78Å
91	R	84.8	Confident	92.7	Very high	19 Å²	19	14.2 Å²	14.2	7%	0.072	8%	0.083	C	C	.	.	H	α-helix	trans	-68.2	-42.1	-178.5	-179.8	60	-178.3	-159.6	-0	112.4	T87 L88 E89 R156 I282	T87-R91 VanDerWaalsContact O-CB 3.26Å; T87-R91 WeakPolarHBondContact O-CB 3.4Å; T87-R91 PolarHBondContact O-N 3.24Å; L88-R91 PolarHBondContact O-N 2.9Å; E89-R91 PolarHBondContact O-N 2.8Å; R91-R156 PolarHBondContact O-NH1 2.93Å; R91-I282 HydrophobicContact CB-CD1 4.36Å; R91-I282 HydrophobicContact CB-CG2 4.22Å
92	F	87.7	Confident	92.7	Very high	22 Å²	22	13.9 Å²	13.9	10%	0.096	8%	0.081	C	C	.	.	H	α-helix	trans	-101.1	2.6	-175.3	-68.4	-76	0	0	0	114	L88 I94 P147 F198 F202 W285	L88-F92 HydrophobicContact CD2-CD2 4.08Å; L88-F92 HydrophobicContact CD2-CE2 3.83Å; L88-F92 WeakPolarHBondContact O-CD2 3.48Å; L88-F92 PolarHBondContact O-N 3.5Å; F92-I94 HydrophobicContact CB-CD1 4.28Å; F92-I94 HydrophobicContact CB-CG1 4.22Å; F92-I94 HydrophobicContact CB-CG2 4.39Å; F92-P147 HydrophobicContact CE1-CB 4.08Å; F92-P147 HydrophobicContact CZ-CB 3.72Å; F92-F198 HydrophobicContact CB-CD2 4.31Å; F92-F198 HydrophobicContact CB-CE1 4.28Å; F92-F198 HydrophobicContact CB-CE2 3.84Å; F92-F198 HydrophobicContact CB-CZ 3.83Å; F92-F198 HydrophobicContact CD1-CB 4.07Å; F92-F198 AromaticContact CD1-CD1 3.76Å; F92-F198 HydrophobicContact CD1-CD1 3.76Å; F92-F198 AromaticContact CD1-CD2 3.75Å; F92-F198 HydrophobicContact CD1-CD2 3.75Å; F92-F198 HydrophobicContact CD1-CE1 4.11Å; F92-F198 HydrophobicContact CD1-CE2 4.13Å; F92-F198 AromaticContact CD1-CG 3.57Å; F92-F198 HydrophobicContact CD1-CG 3.57Å; F92-F198 HydrophobicContact CD1-CZ 4.29Å; F92-F198 HydrophobicContact CE1-CB 3.93Å; F92-F198 HydrophobicContact CE1-CD1 4.4Å; F92-F198 HydrophobicContact CE1-CD2 4.32Å; F92-F198 AromaticContact CE1-CG 3.97Å; F92-F198 HydrophobicContact CE1-CG 3.97Å; F92-F198 HydrophobicContact CG-CD2 4.06Å; F92-F198 HydrophobicContact CG-CE2 4.1Å; F92-F198 HydrophobicContact CG-CG 4.33Å; F92-F198 HydrophobicContact CG-CZ 4.39Å; F92-F202 HydrophobicContact CD2-CE2 4.04Å; F92-F202 HydrophobicContact CD2-CZ 4.21Å; F92-F202 HydrophobicContact CE1-CE2 4.19Å; F92-F202 AromaticContact CE2-CE2 3.68Å; F92-F202 HydrophobicContact CE2-CE2 3.68Å; F92-F202 AromaticContact CE2-CZ 3.5Å; F92-F202 HydrophobicContact CE2-CZ 3.5Å; F92-F202 VanDerWaalsContact CE2-CZ 3.5Å; F92-F202 HydrophobicContact CG-CE2 4.46Å; F92-F202 AromaticContact CZ-CE2 3.76Å; F92-F202 HydrophobicContact CZ-CE2 3.76Å; F92-F202 AromaticContact CZ-CZ 3.72Å; F92-F202 HydrophobicContact CZ-CZ 3.72Å; F92-W285 AromaticContact CE2-CH2 3.93Å; F92-W285 HydrophobicContact CE2-CH2 3.93Å; F92-W285 AromaticContact CE2-CZ2 3.74Å; F92-W285 HydrophobicContact CE2-CZ2 3.74Å; F92-W285 HydrophobicContact CZ-CH2 4.02Å; F92-W285 AromaticContact CZ-CZ2 3.9Å; F92-W285 HydrophobicContact CZ-CZ2 3.9Å
93	A	86.2	Confident	92.7	Very high	19 Å²	19	14.4 Å²	14.4	16%	0.157	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	60.6	-175.2	0	0	0	0	0	110.9	E89 G691	E89-A93 WeakPolarHBondContact O-CA 3.27Å; E89-A93 PolarHBondContact O-N 3.1Å; A93-G691 CarbonylContact O-C 3.46Å; A93-G691 VanDerWaalsContact O-CA 3.27Å; A93-G691 WeakPolarHBondContact O-CA 3.46Å
94	I	90	Very high	92.7	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.021	8%	0.083	C	C	.	.			trans	-129.5	151.7	179.5	57	175.9	0	0	0	111.9	E89 F92 V98 I99 I102 Y196 F198	E89-I94 WeakPolarHBondContact CB-O 3.42Å; E89-I94 HydrophobicContact CG-CG1 4.49Å; E89-I94 WeakPolarHBondContact CG-O 3.42Å; E89-I94 PolarHBondContact O-N 2.87Å; F92-I94 HydrophobicContact CB-CD1 4.28Å; F92-I94 HydrophobicContact CB-CG1 4.22Å; F92-I94 HydrophobicContact CB-CG2 4.39Å; I94-V98 HydrophobicContact CB-CB 4.19Å; I94-V98 HydrophobicContact CB-CG1 4.36Å; I94-V98 HydrophobicContact CB-CG2 4.42Å; I94-V98 HydrophobicContact CD1-CB 4.3Å; I94-V98 HydrophobicContact CD1-CG1 3.98Å; I94-V98 HydrophobicContact CG2-CG1 4.41Å; I94-I99 HydrophobicContact CD1-CD1 3.55Å; I94-I99 HydrophobicContact CD1-CG1 4.06Å; I94-I99 HydrophobicContact CG1-CD1 4.32Å; I94-I99 HydrophobicContact CG1-CG1 4.48Å; I94-I102 HydrophobicContact CD1-CD1 4.44Å; I94-Y196 HydrophobicContact CG2-CE1 4.25Å; I94-F198 HydrophobicContact CD1-CE2 4.32Å; I94-F198 HydrophobicContact CG2-CE2 4.03Å; I94-F198 HydrophobicContact CG2-CZ 3.61Å
95	G	92.5	Very high	92.8	Very high	8 Å²	8	15.3 Å²	15.3	8%	0.082	9%	0.089	C	C	.	.			trans	-76.9	165.8	172.4	0	0	0	0	0	113.8	S97 V98 I99	G95-S97 VanDerWaalsContact C-N 3.26Å; G95-S97 PolarHBondContact O-N 2.71Å; G95-V98 WeakPolarHBondContact O-CB 3.39Å; G95-V98 PolarHBondContact O-N 3.11Å; G95-V98 VanDerWaalsContact O-N 3.15Å; G95-I99 PolarHBondContact O-N 3.04Å
96	S	95.5	Very high	92.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-66.2	-27.8	-179	-13.3	0	0	0	0	112.7	E89 V98 I99 G100 K440 G673 I676 D677	E89-S96 WeakPolarHBondContact OE1-CA 3.48Å; E89-S96 WeakPolarHBondContact OE1-CB 3.47Å; E89-S96 PolarHBondContact OE1-N 2.94Å; S96-V98 VanDerWaalsContact C-N 3.31Å; S96-V98 PolarHBondContact O-N 3.24Å; S96-I99 PolarHBondContact O-N 3.3Å; S96-G100 PolarHBondContact O-N 3.27Å; S96-K440 PolarHBondContact OG-NZ 2.87Å; S96-G673 WeakPolarHBondContact CB-O 3.05Å; S96-G673 WeakPolarHBondContact O-CA 3.5Å; S96-I676 VanDerWaalsContact OG-CG2 3.28Å; S96-I676 WeakPolarHBondContact OG-CG2 3.45Å; S96-D677 WeakPolarHBondContact CA-OD1 3.19Å; S96-D677 VanDerWaalsContact CB-OD1 3.27Å; S96-D677 WeakPolarHBondContact CB-OD1 3.26Å; S96-D677 PolarHBondContact N-OD1 2.73Å; S96-D677 PolarHBondContact N-OD2 3.27Å; S96-D677 PolarHBondContact OG-OD1 3.27Å
97	S	95.2	Very high	93	Very high	35 Å²	35	17.2 Å²	17.2	25%	0.245	10%	0.097	C	C	.	.	H	α-helix	trans	-61.6	-38	173.9	52.1	0	0	0	0	112.3	G95 G100 V101 D677	G95-S97 VanDerWaalsContact C-N 3.26Å; G95-S97 PolarHBondContact O-N 2.71Å; S97-G100 PolarHBondContact O-N 3.09Å; S97-V101 WeakPolarHBondContact O-CG2 3.27Å; S97-V101 PolarHBondContact O-N 3.41Å; S97-D677 WeakPolarHBondContact CB-OD2 3.43Å; S97-D677 PolarHBondContact N-OD2 2.88Å; S97-D677 PolarHBondContact OG-OD2 3.31Å
98	V	95.2	Very high	93.2	Very high	30 Å²	30	19.3 Å²	19.3	18%	0.182	11%	0.109	C	C	.	.	H	α-helix	trans	-67.5	-45	176.1	-177.6	0	0	0	0	110.3	I94 G95 S96 G100 V101 I102 L199	I94-V98 HydrophobicContact CB-CB 4.19Å; I94-V98 HydrophobicContact CB-CG1 4.36Å; I94-V98 HydrophobicContact CB-CG2 4.42Å; I94-V98 HydrophobicContact CD1-CB 4.3Å; I94-V98 HydrophobicContact CD1-CG1 3.98Å; I94-V98 HydrophobicContact CG2-CG1 4.41Å; G95-V98 WeakPolarHBondContact O-CB 3.39Å; G95-V98 PolarHBondContact O-N 3.11Å; G95-V98 VanDerWaalsContact O-N 3.15Å; S96-V98 VanDerWaalsContact C-N 3.31Å; S96-V98 PolarHBondContact O-N 3.24Å; V98-G100 VanDerWaalsContact C-N 3.29Å; V98-G100 PolarHBondContact O-N 3.26Å; V98-V101 PolarHBondContact O-N 2.96Å; V98-I102 HydrophobicContact CG1-CD1 4.17Å; V98-I102 WeakPolarHBondContact O-CG1 3.31Å; V98-I102 PolarHBondContact O-N 3.45Å; V98-L199 HydrophobicContact CG1-CD1 3.74Å
99	I	95.7	Very high	93.3	Very high	5 Å²	5	19.2 Å²	19.2	3%	0.026	11%	0.111	C	C	.	.	H	α-helix	trans	-59.7	-41.2	173.2	-63	-66	0	0	0	111.3	V85 L88 E89 I94 G95 S96 V101 I102 N103 F437	V85-I99 HydrophobicContact CG1-CG2 4.03Å; V85-I99 HydrophobicContact CG2-CG2 4.05Å; L88-I99 HydrophobicContact CB-CD1 3.93Å; L88-I99 HydrophobicContact CD1-CD1 4.44Å; E89-I99 HydrophobicContact CG-CD1 4.37Å; E89-I99 HydrophobicContact CG-CG1 3.7Å; I94-I99 HydrophobicContact CD1-CD1 3.55Å; I94-I99 HydrophobicContact CD1-CG1 4.06Å; I94-I99 HydrophobicContact CG1-CD1 4.32Å; I94-I99 HydrophobicContact CG1-CG1 4.48Å; G95-I99 PolarHBondContact O-N 3.04Å; S96-I99 PolarHBondContact O-N 3.3Å; I99-V101 VanDerWaalsContact C-N 3.33Å; I99-V101 PolarHBondContact O-N 3.22Å; I99-I102 HydrophobicContact CD1-CD1 4.44Å; I99-I102 PolarHBondContact O-N 3.39Å; I99-N103 WeakPolarHBondContact O-CB 3.36Å; I99-N103 PolarHBondContact O-N 2.9Å; I99-F437 HydrophobicContact CG2-CE1 4.24Å; I99-F437 HydrophobicContact CG2-CZ 4.46Å
100	G	96.4	Very high	93.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-57.7	-44.2	175.5	0	0	0	0	0	112.2	S96 S97 V98 S104 P669	S96-G100 PolarHBondContact O-N 3.27Å; S97-G100 PolarHBondContact O-N 3.09Å; V98-G100 VanDerWaalsContact C-N 3.29Å; V98-G100 PolarHBondContact O-N 3.26Å; G100-S104 WeakPolarHBondContact O-CB 3.46Å; G100-S104 PolarHBondContact O-N 3.27Å; G100-S104 PolarHBondContact O-OG 3.33Å; G100-P669 WeakPolarHBondContact CA-O 3.3Å
101	V	96.8	Very high	93.8	Very high	63 Å²	63	17.9 Å²	17.9	38%	0.382	11%	0.106	S	C	.	.	H	α-helix	trans	-64.1	-47.8	174.7	172.4	0	0	0	0	111.3	S97 V98 I99 N103 S104 C105 I670	S97-V101 WeakPolarHBondContact O-CG2 3.27Å; S97-V101 PolarHBondContact O-N 3.41Å; V98-V101 PolarHBondContact O-N 2.96Å; I99-V101 VanDerWaalsContact C-N 3.33Å; I99-V101 PolarHBondContact O-N 3.22Å; V101-N103 VanDerWaalsContact C-N 3.35Å; V101-N103 PolarHBondContact O-N 2.99Å; V101-S104 PolarHBondContact O-N 3.19Å; V101-S104 VanDerWaalsContact O-N 3.13Å; V101-C105 PolarHBondContact O-N 2.84Å; V101-C105 VanDerWaalsContact O-N 3.11Å; V101-C105 PolarHBondContact O-SG 3.02Å; V101-C105 VanDerWaalsContact O-SG 3.34Å; V101-I670 HydrophobicContact CG2-CG1 4.44Å; V101-I670 HydrophobicContact CG2-CG2 4.34Å
102	I	96.2	Very high	94.1	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.026	14%	0.135	C	C	.	.	H	α-helix	trans	-55.4	-50.6	177.1	-68.4	167.2	0	0	0	110.3	I94 V98 I99 S104 C105 L199 F202 Q206	I94-I102 HydrophobicContact CD1-CD1 4.44Å; V98-I102 HydrophobicContact CG1-CD1 4.17Å; V98-I102 WeakPolarHBondContact O-CG1 3.31Å; V98-I102 PolarHBondContact O-N 3.45Å; I99-I102 HydrophobicContact CD1-CD1 4.44Å; I99-I102 PolarHBondContact O-N 3.39Å; I102-S104 VanDerWaalsContact C-N 3.25Å; I102-S104 PolarHBondContact O-N 2.93Å; I102-C105 WeakPolarHBondContact O-CB 3.29Å; I102-C105 PolarHBondContact O-N 2.91Å; I102-C105 VanDerWaalsContact O-N 3.16Å; I102-L199 HydrophobicContact CD1-CD1 3.64Å; I102-L199 HydrophobicContact CG1-CD1 3.65Å; I102-F202 HydrophobicContact CD1-CB 4.12Å; I102-F202 HydrophobicContact CD1-CG 4.49Å; I102-F202 HydrophobicContact CG1-CB 4.31Å; I102-F202 HydrophobicContact CG2-CB 3.95Å; I102-Q206 HydrophobicContact CG2-CG 3.76Å; I102-Q206 VanDerWaalsContact O-CG 3.26Å; I102-Q206 WeakPolarHBondContact O-CG 3.31Å; I102-Q206 PolarHBondContact O-NE2 3.2Å
103	N	94.7	Very high	94.3	Very high	20 Å²	20	24.4 Å²	24.4	11%	0.107	14%	0.138	C	C	.	.	H	α-helix	trans	-61.4	-34.3	179.3	-73.3	-8.7	0	0	0	112.9	T81 I99 V101 C105 F106 Q206 P669	T81-N103 WeakPolarHBondContact CG2-OD1 3.42Å; I99-N103 WeakPolarHBondContact O-CB 3.36Å; I99-N103 PolarHBondContact O-N 2.9Å; V101-N103 VanDerWaalsContact C-N 3.35Å; V101-N103 PolarHBondContact O-N 2.99Å; N103-C105 VanDerWaalsContact C-N 3.33Å; N103-C105 PolarHBondContact O-N 3.11Å; N103-F106 WeakPolarHBondContact O-CB 3.35Å; N103-F106 PolarHBondContact O-N 3.26Å; N103-Q206 PolarHBondContact OD1-NE2 2.94Å; N103-P669 HydrophobicContact CB-CB 4.38Å
104	S	96	Very high	94.5	Very high	3 Å²	3	24 Å²	24	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-73.5	-25.1	179.7	-56.8	0	0	0	0	112.6	G100 V101 I102 F106 E107 V108 L666 I670	G100-S104 WeakPolarHBondContact O-CB 3.46Å; G100-S104 PolarHBondContact O-N 3.27Å; G100-S104 PolarHBondContact O-OG 3.33Å; V101-S104 PolarHBondContact O-N 3.19Å; V101-S104 VanDerWaalsContact O-N 3.13Å; I102-S104 VanDerWaalsContact C-N 3.25Å; I102-S104 PolarHBondContact O-N 2.93Å; S104-F106 PolarHBondContact O-N 3.33Å; S104-E107 WeakPolarHBondContact O-CB 3.47Å; S104-E107 PolarHBondContact O-N 2.69Å; S104-V108 PolarHBondContact O-N 3.05Å; S104-L666 WeakPolarHBondContact CB-O 3.32Å; S104-L666 VanDerWaalsContact O-CD1 3.3Å; S104-L666 WeakPolarHBondContact O-CD1 3.48Å; S104-L666 PolarHBondContact OG-O 2.95Å; S104-I670 WeakPolarHBondContact OG-CG1 3.47Å
105	C	96.7	Very high	94.1	Very high	18 Å²	18	29 Å²	29	12%	0.122	16%	0.159	C	C	.	.	H	α-helix	trans	-62.1	-24.5	174.3	-67.6	0	0	0	0	113.2	V101 I102 N103 E107 V108 G109 I203 Q206 L207	V101-C105 PolarHBondContact O-N 2.84Å; V101-C105 VanDerWaalsContact O-N 3.11Å; V101-C105 PolarHBondContact O-SG 3.02Å; V101-C105 VanDerWaalsContact O-SG 3.34Å; I102-C105 WeakPolarHBondContact O-CB 3.29Å; I102-C105 PolarHBondContact O-N 2.91Å; I102-C105 VanDerWaalsContact O-N 3.16Å; N103-C105 VanDerWaalsContact C-N 3.33Å; N103-C105 PolarHBondContact O-N 3.11Å; C105-E107 VanDerWaalsContact C-N 3.31Å; C105-E107 PolarHBondContact O-N 3.49Å; C105-V108 PolarHBondContact O-N 3.36Å; C105-G109 PolarHBondContact O-N 3.49Å; C105-I203 HydrophobicContact CB-CG2 4.44Å; C105-Q206 HydrophobicContact CB-CB 3.87Å; C105-L207 HydrophobicContact CB-CG 4.39Å; C105-L207 WeakPolarHBondContact O-CD2 3.32Å
106	F	96.2	Very high	93.8	Very high	35 Å²	35	35.2 Å²	35.2	15%	0.154	18%	0.181	C	C	.	.	H	α-helix	trans	-56.1	-47.2	169	174.4	-95.5	0	0	0	111.4	N103 S104 V108 G109 Y110 Q206 I209 G210 S213	N103-F106 WeakPolarHBondContact O-CB 3.35Å; N103-F106 PolarHBondContact O-N 3.26Å; S104-F106 PolarHBondContact O-N 3.33Å; F106-V108 VanDerWaalsContact C-N 3.35Å; F106-G109 PolarHBondContact O-N 3.26Å; F106-Y110 WeakPolarHBondContact O-CB 3.46Å; F106-Y110 PolarHBondContact O-N 3.17Å; F106-Q206 WeakPolarHBondContact CA-O 3.26Å; F106-I209 HydrophobicContact CD2-CB 4.39Å; F106-I209 HydrophobicContact CD2-CG2 3.98Å; F106-I209 HydrophobicContact CE2-CG2 3.89Å; F106-G210 VanDerWaalsContact CD2-CA 3.43Å; F106-G210 VanDerWaalsContact O-CA 3.25Å; F106-G210 WeakPolarHBondContact O-CA 3.43Å; F106-S213 WeakPolarHBondContact CZ-OG 3.37Å
107	E	95.3	Very high	93.4	Very high	14 Å²	14	35.5 Å²	35.5	7%	0.065	18%	0.182	C	C	.	.	H	α-helix	trans	-68.5	-36.8	-178.9	-64	-60	151.6	0	0	111.7	S104 C105 Y110 I111 R661 Y665 L666	S104-E107 WeakPolarHBondContact O-CB 3.47Å; S104-E107 PolarHBondContact O-N 2.69Å; C105-E107 VanDerWaalsContact C-N 3.31Å; C105-E107 PolarHBondContact O-N 3.49Å; E107-Y110 PolarHBondContact O-N 3.48Å; E107-I111 WeakPolarHBondContact O-CB 3.49Å; E107-I111 VanDerWaalsContact O-CG1 3.22Å; E107-I111 WeakPolarHBondContact O-CG1 3.44Å; E107-I111 PolarHBondContact O-N 2.99Å; E107-R661 IonicContact OE1-NH1 3.92Å; E107-R661 PolarHBondContact OE1-NH1 3.49Å; E107-R661 WeakPolarHBondContact OE2-CD 3.37Å; E107-R661 WeakPolarHBondContact OE2-CG 3.49Å; E107-R661 IonicContact OE2-CZ 3.12Å; E107-R661 IonicContact OE2-NE 3.51Å; E107-R661 IonicContact OE2-NH1 2.97Å; E107-R661 PolarHBondContact OE2-NH1 2.93Å; E107-Y665 WeakPolarHBondContact OE1-CD1 3.44Å; E107-L666 HydrophobicContact CB-CB 4.14Å; E107-L666 HydrophobicContact CB-CD1 4.04Å
108	V	95.5	Very high	92.7	Very high	44 Å²	44	36.6 Å²	36.6	27%	0.267	19%	0.19	S	C	.	.	H	α-helix	trans	-57.7	-52.5	173	-178.9	0	0	0	0	110.1	S104 C105 F106 Y110 I111 F112 L207 L666	S104-V108 PolarHBondContact O-N 3.05Å; C105-V108 PolarHBondContact O-N 3.36Å; F106-V108 VanDerWaalsContact C-N 3.35Å; V108-Y110 VanDerWaalsContact C-N 3.29Å; V108-Y110 PolarHBondContact O-N 3.15Å; V108-I111 PolarHBondContact O-N 3.13Å; V108-F112 HydrophobicContact CG1-CD2 3.7Å; V108-F112 HydrophobicContact CG1-CE2 3.63Å; V108-F112 VanDerWaalsContact O-CD2 3.23Å; V108-F112 WeakPolarHBondContact O-CD2 3.41Å; V108-F112 PolarHBondContact O-N 2.84Å; V108-F112 VanDerWaalsContact O-N 3.12Å; V108-L207 HydrophobicContact CB-CD2 3.93Å; V108-L207 HydrophobicContact CG1-CD2 3.85Å; V108-L666 HydrophobicContact CG2-CD1 3.45Å; V108-L666 VanDerWaalsContact CG2-CD1 3.45Å
109	G	95.6	Very high	91.8	Very high	7 Å²	7	39.7 Å²	39.7	7%	0.072	20%	0.199	C	C	.	.	H	α-helix	trans	-59.5	-41	178.4	0	0	0	0	0	112.3	C105 F106 S113 A211	C105-G109 PolarHBondContact O-N 3.49Å; F106-G109 PolarHBondContact O-N 3.26Å; G109-S113 WeakPolarHBondContact O-CB 3.44Å; G109-S113 PolarHBondContact O-N 2.99Å; G109-S113 VanDerWaalsContact O-N 3.1Å; G109-A211 WeakPolarHBondContact O-CA 3.4Å
110	Y	95.1	Very high	91.1	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-50.5	177	-169.9	-80.5	0	0	0	112.5	F106 E107 V108 F112 S113 V114 G210 S213 L217 T218 F657 R661	F106-Y110 WeakPolarHBondContact O-CB 3.46Å; F106-Y110 PolarHBondContact O-N 3.17Å; E107-Y110 PolarHBondContact O-N 3.48Å; V108-Y110 VanDerWaalsContact C-N 3.29Å; V108-Y110 PolarHBondContact O-N 3.15Å; Y110-F112 PolarHBondContact O-N 3.44Å; Y110-S113 PolarHBondContact O-N 2.96Å; Y110-V114 HydrophobicContact CD1-CB 4.29Å; Y110-V114 HydrophobicContact CD1-CG1 4.18Å; Y110-V114 HydrophobicContact CE1-CB 3.99Å; Y110-V114 HydrophobicContact CE1-CG1 4.15Å; Y110-V114 HydrophobicContact CE1-CG2 4.36Å; Y110-V114 WeakPolarHBondContact O-CB 3.1Å; Y110-V114 WeakPolarHBondContact O-CG1 3.36Å; Y110-V114 PolarHBondContact O-N 3.11Å; Y110-G210 WeakPolarHBondContact CA-O 3.49Å; Y110-S213 WeakPolarHBondContact CD2-OG 3.3Å; Y110-L217 HydrophobicContact CE2-CD1 4.24Å; Y110-T218 WeakPolarHBondContact OH-CG2 3.41Å; Y110-F657 AromaticContact CE1-CE1 3.91Å; Y110-F657 HydrophobicContact CE1-CE1 3.91Å; Y110-F657 AromaticContact CZ-CE1 3.88Å; Y110-F657 WeakPolarHBondContact OH-CE1 3.49Å; Y110-R661 VanDerWaalsContact CD1-NH1 3.27Å; Y110-R661 VanDerWaalsContact CE1-NE 3.33Å; Y110-R661 VanDerWaalsContact CE2-CZ 3.48Å; Y110-R661 VanDerWaalsContact CG-CZ 3.45Å; Y110-R661 VanDerWaalsContact CZ-CZ 3.41Å
111	I	92.5	Very high	90	Very high	24 Å²	24	41.5 Å²	41.5	12%	0.123	21%	0.211	C	C	.	.	H	α-helix	trans	-62.7	-44.3	-175.8	-70.3	166.1	0	0	0	110.9	E107 V108 S113 V114 I115 R661 L662	E107-I111 WeakPolarHBondContact O-CB 3.49Å; E107-I111 VanDerWaalsContact O-CG1 3.22Å; E107-I111 WeakPolarHBondContact O-CG1 3.44Å; E107-I111 PolarHBondContact O-N 2.99Å; V108-I111 PolarHBondContact O-N 3.13Å; I111-S113 VanDerWaalsContact C-N 3.35Å; I111-V114 VanDerWaalsContact O-CG1 3.31Å; I111-V114 WeakPolarHBondContact O-CG1 3.06Å; I111-I115 HydrophobicContact CG2-CD1 4.46Å; I111-I115 WeakPolarHBondContact O-CG1 3.22Å; I111-R661 HydrophobicContact CD1-CB 4.2Å; I111-R661 HydrophobicContact CG1-CB 4.29Å; I111-L662 HydrophobicContact CD1-CB 4.32Å; I111-L662 HydrophobicContact CD1-CD1 4.29Å
112	F	90.6	Very high	88.8	Confident	155 Å²	155	41.8 Å²	41.8	68%	0.68	22%	0.215	S	C	*	.	H	α-helix	trans	-64.9	-40.7	176.4	-80	-68.4	0	0	0	111.9	V108 Y110	V108-F112 HydrophobicContact CG1-CD2 3.7Å; V108-F112 HydrophobicContact CG1-CE2 3.63Å; V108-F112 VanDerWaalsContact O-CD2 3.23Å; V108-F112 WeakPolarHBondContact O-CD2 3.41Å; V108-F112 PolarHBondContact O-N 2.84Å; V108-F112 VanDerWaalsContact O-N 3.12Å; Y110-F112 PolarHBondContact O-N 3.44Å
113	S	92	Very high	87.8	Confident	23 Å²	23	47.4 Å²	47.4	16%	0.161	24%	0.241	C	C	.	.	H	α-helix	trans	-69.5	-44.2	-179.8	-178.6	0	0	0	0	112.6	G109 Y110 I111 I115 Y116 V117 A211 S214	G109-S113 WeakPolarHBondContact O-CB 3.44Å; G109-S113 PolarHBondContact O-N 2.99Å; G109-S113 VanDerWaalsContact O-N 3.1Å; Y110-S113 PolarHBondContact O-N 2.96Å; I111-S113 VanDerWaalsContact C-N 3.35Å; S113-I115 VanDerWaalsContact C-N 3.32Å; S113-I115 PolarHBondContact O-N 3Å; S113-Y116 PolarHBondContact O-N 2.89Å; S113-Y116 VanDerWaalsContact O-N 3.16Å; S113-V117 WeakPolarHBondContact O-CB 3.4Å; S113-V117 VanDerWaalsContact O-CG2 3.22Å; S113-V117 WeakPolarHBondContact O-CG2 3.39Å; S113-V117 PolarHBondContact O-N 3.12Å; S113-A211 WeakPolarHBondContact CB-O 3.32Å; S113-A211 PolarHBondContact OG-O 3.1Å; S113-S214 WeakPolarHBondContact CB-OG 3.42Å; S113-S214 PolarHBondContact OG-OG 3.29Å
114	V	90.1	Very high	87	Confident	10 Å²	10	47.5 Å²	47.5	6%	0.061	25%	0.247	C	C	.	.	H	α-helix	trans	-62.5	-37.6	-175.6	65	0	0	0	0	112.6	Y110 I111 Y116 S118 T218	Y110-V114 HydrophobicContact CD1-CB 4.29Å; Y110-V114 HydrophobicContact CD1-CG1 4.18Å; Y110-V114 HydrophobicContact CE1-CB 3.99Å; Y110-V114 HydrophobicContact CE1-CG1 4.15Å; Y110-V114 HydrophobicContact CE1-CG2 4.36Å; Y110-V114 WeakPolarHBondContact O-CB 3.1Å; Y110-V114 WeakPolarHBondContact O-CG1 3.36Å; Y110-V114 PolarHBondContact O-N 3.11Å; I111-V114 VanDerWaalsContact O-CG1 3.31Å; I111-V114 WeakPolarHBondContact O-CG1 3.06Å; V114-Y116 VanDerWaalsContact C-N 3.31Å; V114-Y116 PolarHBondContact O-N 3.39Å; V114-S118 WeakPolarHBondContact O-CB 3.4Å; V114-S118 PolarHBondContact O-N 3.28Å; V114-S118 PolarHBondContact O-OG 3.43Å; V114-T218 HydrophobicContact CB-CG2 4.41Å; V114-T218 HydrophobicContact CG2-CG2 3.41Å; V114-T218 VanDerWaalsContact CG2-CG2 3.41Å
115	I	82.9	Confident	86.5	Confident	109 Å²	109	54.3 Å²	54.3	56%	0.559	27%	0.272	S	S	*	.	H	α-helix	trans	-60.2	-46.2	177.9	-65.5	168.5	0	0	0	109.8	I111 S113	I111-I115 HydrophobicContact CG2-CD1 4.46Å; I111-I115 WeakPolarHBondContact O-CG1 3.22Å; S113-I115 VanDerWaalsContact C-N 3.32Å; S113-I115 PolarHBondContact O-N 3Å
116	Y	86.2	Confident	86.1	Confident	138 Å²	138	54.4 Å²	54.4	54%	0.541	27%	0.272	S	S	.	.	H	α-helix	trans	-70.3	-48.4	179.7	-178.8	-100.6	0	0	0	112.5	S113 V114 S118 Y119 V120 W129	S113-Y116 PolarHBondContact O-N 2.89Å; S113-Y116 VanDerWaalsContact O-N 3.16Å; V114-Y116 VanDerWaalsContact C-N 3.31Å; V114-Y116 PolarHBondContact O-N 3.39Å; Y116-S118 VanDerWaalsContact C-N 3.34Å; Y116-S118 PolarHBondContact O-N 3.48Å; Y116-Y119 PolarHBondContact O-N 3.25Å; Y116-V120 HydrophobicContact CD2-CG2 4.23Å; Y116-V120 HydrophobicContact CE1-CG2 4.31Å; Y116-V120 HydrophobicContact CE2-CG2 3.8Å; Y116-V120 PolarHBondContact O-N 3.24Å; Y116-W129 HydrophobicContact CE1-CH2 4.02Å; Y116-W129 HydrophobicContact CE1-CZ3 4.08Å
117	V	87.3	Confident	85.8	Confident	6 Å²	6	52.8 Å²	52.8	4%	0.036	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-37.4	-177.5	171.1	0	0	0	0	111.7	S113 Y119 G121 P215 L219	S113-V117 WeakPolarHBondContact O-CB 3.4Å; S113-V117 VanDerWaalsContact O-CG2 3.22Å; S113-V117 WeakPolarHBondContact O-CG2 3.39Å; S113-V117 PolarHBondContact O-N 3.12Å; V117-Y119 VanDerWaalsContact C-N 3.29Å; V117-Y119 PolarHBondContact O-N 3.3Å; V117-G121 VanDerWaalsContact O-CA 3.22Å; V117-G121 WeakPolarHBondContact O-CA 3.2Å; V117-G121 PolarHBondContact O-N 3.42Å; V117-P215 HydrophobicContact CG1-CB 3.91Å; V117-P215 HydrophobicContact CG1-CG 3.97Å; V117-P215 HydrophobicContact CG2-CG 4.03Å; V117-L219 HydrophobicContact CG1-CD1 3.83Å; V117-L219 HydrophobicContact CG1-CD2 4.24Å; V117-L219 HydrophobicContact CG1-CG 3.98Å
118	S	79.7	Confident	85.6	Confident	58 Å²	58	54.3 Å²	54.3	41%	0.406	28%	0.275	S	S	.	.	H	α-helix	trans	-63.5	-36.4	177.6	-58.9	0	0	0	0	112.2	V114 Y116 S122	V114-S118 WeakPolarHBondContact O-CB 3.4Å; V114-S118 PolarHBondContact O-N 3.28Å; V114-S118 PolarHBondContact O-OG 3.43Å; Y116-S118 VanDerWaalsContact C-N 3.34Å; Y116-S118 PolarHBondContact O-N 3.48Å; S118-S122 PolarHBondContact O-OG 3.14Å
119	Y	77.4	Confident	85.5	Confident	95 Å²	95	55.1 Å²	55.1	37%	0.373	27%	0.273	S	S	.	.	H	α-helix	trans	-77.6	-52.1	179.4	-177.8	-104.1	0	0	0	112.3	Y116 V117 S122 H123 S397 W401	Y116-Y119 PolarHBondContact O-N 3.25Å; V117-Y119 VanDerWaalsContact C-N 3.29Å; V117-Y119 PolarHBondContact O-N 3.3Å; Y119-S122 PolarHBondContact O-OG 3.24Å; Y119-H123 PolarHBondContact O-ND1 3.42Å; Y119-S397 PolarHBondContact OH-OG 3.16Å; Y119-W401 HydrophobicContact CD2-CZ2 4.45Å; Y119-W401 HydrophobicContact CE2-CZ2 4.25Å; Y119-W401 AromaticContact CZ-NE1 3.96Å
120	V	79.4	Confident	85.4	Confident	44 Å²	44	54.8 Å²	54.8	27%	0.267	27%	0.27	S	S	.	.	H	α-helix	trans	-86.3	-39.8	-172.5	-172.8	0	0	0	0	112.4	Y116 S122 H123 G124 W129	Y116-V120 HydrophobicContact CD2-CG2 4.23Å; Y116-V120 HydrophobicContact CE1-CG2 4.31Å; Y116-V120 HydrophobicContact CE2-CG2 3.8Å; Y116-V120 PolarHBondContact O-N 3.24Å; V120-S122 PolarHBondContact O-N 2.92Å; V120-H123 PolarHBondContact O-N 2.98Å; V120-G124 PolarHBondContact O-N 3.06Å; V120-W129 HydrophobicContact CB-CH2 4.18Å; V120-W129 HydrophobicContact CB-CZ2 4.22Å; V120-W129 HydrophobicContact CG1-CH2 3.68Å; V120-W129 HydrophobicContact CG1-CZ2 3.41Å; V120-W129 VanDerWaalsContact CG1-CZ2 3.41Å
121	G	74.6	Confident	85.4	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-67.1	-33.7	-173.6	0	0	0	0	0	113.5	V117 H123 G124	V117-G121 VanDerWaalsContact O-CA 3.22Å; V117-G121 WeakPolarHBondContact O-CA 3.2Å; V117-G121 PolarHBondContact O-N 3.42Å; G121-H123 VanDerWaalsContact C-N 3.3Å; G121-H123 PolarHBondContact O-N 2.82Å; G121-G124 PolarHBondContact O-N 3.12Å
122	S	70.9	Confident	85.5	Confident	68 Å²	68	57.4 Å²	57.4	48%	0.476	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-64.4	-30.5	178	54.3	0	0	0	0	113.4	S118 Y119 V120	S118-S122 PolarHBondContact O-OG 3.14Å; Y119-S122 PolarHBondContact O-OG 3.24Å; V120-S122 PolarHBondContact O-N 2.92Å
123	H	76.2	Confident	85.7	Confident	123 Å²	123	50.2 Å²	50.2	57%	0.569	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-85	-18.1	177.7	-65.3	83.2	0	0	0	112.9	Y119 V120 G121 R308	Y119-H123 PolarHBondContact O-ND1 3.42Å; V120-H123 PolarHBondContact O-N 2.98Å; G121-H123 VanDerWaalsContact C-N 3.3Å; G121-H123 PolarHBondContact O-N 2.82Å; H123-R308 PolarHBondContact O-NH2 2.96Å
124	G	77.4	Confident	86	Confident	22 Å²	22	49.1 Å²	49.1	23%	0.227	25%	0.245	C	C	.	.	S	Bend	trans	-84.6	-157.2	-173	0	0	0	0	0	115.7	V120 G121	V120-G124 PolarHBondContact O-N 3.06Å; G121-G124 PolarHBondContact O-N 3.12Å
125	R	85.2	Confident	86.4	Confident	147 Å²	147	51.6 Å²	51.6	56%	0.555	26%	0.255	S	S	*	.			trans	-89.3	102.2	165.2	-65.8	-175.3	-177	179.9	2.5	108	V128 W129 R308	R125-V128 HydrophobicContact CB-CB 4.04Å; R125-V128 HydrophobicContact CB-CG2 3.86Å; R125-V128 WeakPolarHBondContact O-CB 3.31Å; R125-V128 PolarHBondContact O-N 2.87Å; R125-V128 VanDerWaalsContact O-N 3.08Å; R125-W129 PolarHBondContact O-N 2.63Å; R125-W129 VanDerWaalsContact O-N 3.16Å; R125-R308 HydrophobicContact CB-CG 4.42Å; R125-R308 HydrophobicContact CG-CB 4.15Å; R125-R308 HydrophobicContact CG-CG 3.92Å
126	V	87.9	Confident	87.1	Confident	19 Å²	19	49.6 Å²	49.6	12%	0.115	25%	0.245	C	C	.	.	H	α-helix	trans	-53.3	-50.5	-172.5	172.3	0	0	0	0	113.5	V128 W129 I130 L219 F223	V126-V128 PolarHBondContact O-N 3.18Å; V126-W129 PolarHBondContact O-N 3.49Å; V126-W129 VanDerWaalsContact O-N 3.15Å; V126-I130 HydrophobicContact CG1-CD1 3.67Å; V126-I130 HydrophobicContact CG1-CG1 4.29Å; V126-I130 WeakPolarHBondContact O-CG1 3.41Å; V126-I130 PolarHBondContact O-N 2.94Å; V126-L219 HydrophobicContact CG1-CB 3.76Å; V126-L219 HydrophobicContact CG1-CD1 4.48Å; V126-F223 HydrophobicContact CB-CD2 3.63Å; V126-F223 HydrophobicContact CB-CE2 3.96Å; V126-F223 HydrophobicContact CB-CG 4.14Å; V126-F223 HydrophobicContact CG1-CB 3.85Å; V126-F223 HydrophobicContact CG1-CD1 4.38Å; V126-F223 HydrophobicContact CG1-CD2 3.81Å; V126-F223 HydrophobicContact CG1-CE2 4.43Å; V126-F223 HydrophobicContact CG1-CG 3.78Å; V126-F223 HydrophobicContact CG2-CD2 3.91Å; V126-F223 HydrophobicContact CG2-CE2 4.49Å
127	P	90.4	Very high	87.6	Confident	1 Å²	1	43 Å²	43	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-58.3	-34.7	179.1	-26.6	35.8	0	0	0	113.9	F63 I130 S131 F223 F306	F63-P127 HydrophobicContact CE2-CG 4.31Å; P127-I130 PolarHBondContact O-N 3.2Å; P127-S131 PolarHBondContact O-N 3.01Å; P127-S131 PolarHBondContact O-OG 3.32Å; P127-F223 HydrophobicContact CG-CE1 4.19Å; P127-F223 HydrophobicContact CG-CZ 3.84Å; P127-F306 HydrophobicContact CB-CB 4.16Å; P127-F306 HydrophobicContact CG-CB 4.33Å
128	V	91.5	Very high	88.1	Confident	46 Å²	46	42.8 Å²	42.8	28%	0.279	22%	0.218	S	C	.	.	H	α-helix	trans	-69.3	-42.9	178.6	177.8	0	0	0	0	111.2	R125 V126 I130 S131 I132	R125-V128 HydrophobicContact CB-CB 4.04Å; R125-V128 HydrophobicContact CB-CG2 3.86Å; R125-V128 WeakPolarHBondContact O-CB 3.31Å; R125-V128 PolarHBondContact O-N 2.87Å; R125-V128 VanDerWaalsContact O-N 3.08Å; V126-V128 PolarHBondContact O-N 3.18Å; V128-I130 VanDerWaalsContact C-N 3.29Å; V128-I130 PolarHBondContact O-N 3.47Å; V128-S131 PolarHBondContact O-N 2.87Å; V128-I132 HydrophobicContact CG1-CD1 3.95Å; V128-I132 HydrophobicContact CG1-CG1 4.43Å; V128-I132 VanDerWaalsContact O-CG1 3.29Å; V128-I132 WeakPolarHBondContact O-CG1 3.33Å; V128-I132 PolarHBondContact O-N 2.82Å
129	W	91.9	Very high	89	Confident	61 Å²	61	42.5 Å²	42.5	23%	0.231	22%	0.219	C	C	.	.	H	α-helix	trans	-62.7	-38.6	175.1	-83.3	98	0	0	0	112	Y116 V120 R125 V126 G133 L219	Y116-W129 HydrophobicContact CE1-CH2 4.02Å; Y116-W129 HydrophobicContact CE1-CZ3 4.08Å; V120-W129 HydrophobicContact CB-CH2 4.18Å; V120-W129 HydrophobicContact CB-CZ2 4.22Å; V120-W129 HydrophobicContact CG1-CH2 3.68Å; V120-W129 HydrophobicContact CG1-CZ2 3.41Å; V120-W129 VanDerWaalsContact CG1-CZ2 3.41Å; R125-W129 PolarHBondContact O-N 2.63Å; R125-W129 VanDerWaalsContact O-N 3.16Å; V126-W129 PolarHBondContact O-N 3.49Å; V126-W129 VanDerWaalsContact O-N 3.15Å; W129-G133 PolarHBondContact O-N 3.42Å; W129-G133 VanDerWaalsContact O-N 3.13Å; W129-L219 HydrophobicContact CB-CD1 3.78Å
130	I	93.6	Very high	90	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.6	-50.7	173.1	-63.7	167.6	0	0	0	110.2	F63 V126 P127 V128 I132 G133 L134 P215 I216 L219 T220 L303	F63-I130 HydrophobicContact CZ-CD1 4.32Å; V126-I130 HydrophobicContact CG1-CD1 3.67Å; V126-I130 HydrophobicContact CG1-CG1 4.29Å; V126-I130 WeakPolarHBondContact O-CG1 3.41Å; V126-I130 PolarHBondContact O-N 2.94Å; P127-I130 PolarHBondContact O-N 3.2Å; V128-I130 VanDerWaalsContact C-N 3.29Å; V128-I130 PolarHBondContact O-N 3.47Å; I130-I132 PolarHBondContact O-N 3.05Å; I130-G133 PolarHBondContact O-N 3.17Å; I130-L134 HydrophobicContact CG2-CD1 3.88Å; I130-L134 HydrophobicContact CG2-CG 4.37Å; I130-L134 WeakPolarHBondContact O-CG 3.25Å; I130-L134 PolarHBondContact O-N 2.96Å; I130-P215 HydrophobicContact CG1-CB 4.5Å; I130-I216 HydrophobicContact CG2-CB 3.98Å; I130-I216 HydrophobicContact CG2-CG1 4.15Å; I130-L219 HydrophobicContact CD1-CB 4.3Å; I130-L219 HydrophobicContact CG1-CB 4.21Å; I130-L219 HydrophobicContact CG1-CD1 4.35Å; I130-T220 WeakPolarHBondContact CD1-OG1 3.49Å; I130-L303 HydrophobicContact CG2-CD1 3.65Å
131	S	95	Very high	90.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.4	-41.9	177.9	-69.4	0	0	0	0	113.5	P127 V128 G133 L134 F135 A300 L303 L304	P127-S131 PolarHBondContact O-N 3.01Å; P127-S131 PolarHBondContact O-OG 3.32Å; V128-S131 PolarHBondContact O-N 2.87Å; S131-G133 VanDerWaalsContact C-N 3.32Å; S131-G133 PolarHBondContact O-N 3.21Å; S131-L134 PolarHBondContact O-N 3.25Å; S131-F135 WeakPolarHBondContact O-CD2 3.34Å; S131-F135 PolarHBondContact O-N 3.37Å; S131-A300 WeakPolarHBondContact CB-O 3.3Å; S131-A300 PolarHBondContact OG-O 3.22Å; S131-L303 VanDerWaalsContact OG-C 3.31Å; S131-L303 VanDerWaalsContact OG-CB 3.31Å; S131-L303 WeakPolarHBondContact OG-CB 3.43Å; S131-L304 WeakPolarHBondContact OG-CA 3.5Å; S131-L304 PolarHBondContact OG-N 3.27Å
132	I	95	Very high	92	Very high	80 Å²	80	39.6 Å²	39.6	41%	0.41	21%	0.205	S	C	.	.	H	α-helix	trans	-58.8	-46.1	175.8	-69.5	165.5	0	0	0	110.2	V128 I130 L134 F135 I136	V128-I132 HydrophobicContact CG1-CD1 3.95Å; V128-I132 HydrophobicContact CG1-CG1 4.43Å; V128-I132 VanDerWaalsContact O-CG1 3.29Å; V128-I132 WeakPolarHBondContact O-CG1 3.33Å; V128-I132 PolarHBondContact O-N 2.82Å; I130-I132 PolarHBondContact O-N 3.05Å; I132-L134 VanDerWaalsContact C-N 3.34Å; I132-L134 PolarHBondContact O-N 3.22Å; I132-F135 PolarHBondContact O-N 3.36Å; I132-I136 HydrophobicContact CG2-CD1 4.02Å; I132-I136 WeakPolarHBondContact O-CG1 2.99Å; I132-I136 PolarHBondContact O-N 3.49Å; I132-I136 VanDerWaalsContact O-N 3.08Å
133	G	96.3	Very high	93.3	Very high	4 Å²	4	38.3 Å²	38.3	4%	0.041	19%	0.193	C	C	.	.	H	α-helix	trans	-57.9	-45.3	174.7	0	0	0	0	0	112.6	W129 I130 S131 F135 I136 M137 G212	W129-G133 PolarHBondContact O-N 3.42Å; W129-G133 VanDerWaalsContact O-N 3.13Å; I130-G133 PolarHBondContact O-N 3.17Å; S131-G133 VanDerWaalsContact C-N 3.32Å; S131-G133 PolarHBondContact O-N 3.21Å; G133-F135 PolarHBondContact O-N 2.94Å; G133-I136 WeakPolarHBondContact O-CB 3.07Å; G133-I136 PolarHBondContact O-N 3.01Å; G133-M137 PolarHBondContact O-N 3.48Å; G133-G212 CarbonylContact C-O 3.47Å; G133-G212 WeakPolarHBondContact CA-O 3.5Å; G133-G212 CarbonylContact O-C 3.6Å; G133-G212 WeakPolarHBondContact O-CA 3.47Å; G133-G212 VanDerWaalsContact O-O 3.12Å
134	L	97.5	Very high	94.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-67.3	-34.4	-179.9	-64.3	168.7	0	0	0	113.2	I70 I130 S131 I132 M137 S138 I216 V296 A300 L303	I70-L134 HydrophobicContact CD1-CD1 4.24Å; I70-L134 HydrophobicContact CG2-CD1 3.68Å; I70-L134 HydrophobicContact CG2-CD2 3.48Å; I70-L134 VanDerWaalsContact CG2-CD2 3.48Å; I70-L134 HydrophobicContact CG2-CG 4.23Å; I130-L134 HydrophobicContact CG2-CD1 3.88Å; I130-L134 HydrophobicContact CG2-CG 4.37Å; I130-L134 WeakPolarHBondContact O-CG 3.25Å; I130-L134 PolarHBondContact O-N 2.96Å; S131-L134 PolarHBondContact O-N 3.25Å; I132-L134 VanDerWaalsContact C-N 3.34Å; I132-L134 PolarHBondContact O-N 3.22Å; L134-M137 PolarHBondContact O-N 3.37Å; L134-S138 WeakPolarHBondContact O-CB 3.36Å; L134-S138 PolarHBondContact O-N 3.44Å; L134-I216 HydrophobicContact CD2-CD1 4.4Å; L134-V296 HydrophobicContact CB-CG1 4.03Å; L134-V296 HydrophobicContact CD2-CG1 4.02Å; L134-A300 HydrophobicContact CB-CB 3.56Å; L134-A300 HydrophobicContact CD1-CB 4.33Å; L134-L303 HydrophobicContact CD1-CD1 3.69Å
135	F	98	Very high	95.1	Very high	62 Å²	62	31.8 Å²	31.8	27%	0.272	16%	0.157	S	C	.	.	H	α-helix	trans	-64.6	-41.4	171.3	-75.1	-56.8	0	0	0	111.8	S131 I132 G133 M137 S138 A139 F297 A300 L304	S131-F135 WeakPolarHBondContact O-CD2 3.34Å; S131-F135 PolarHBondContact O-N 3.37Å; I132-F135 PolarHBondContact O-N 3.36Å; G133-F135 PolarHBondContact O-N 2.94Å; F135-M137 VanDerWaalsContact C-N 3.33Å; F135-S138 PolarHBondContact O-N 3.34Å; F135-A139 PolarHBondContact O-N 3.45Å; F135-F297 AromaticContact CD1-CD2 3.67Å; F135-F297 HydrophobicContact CD1-CD2 3.67Å; F135-F297 AromaticContact CD1-CE2 3.61Å; F135-F297 HydrophobicContact CD1-CE2 3.61Å; F135-F297 HydrophobicContact CD1-CZ 4.43Å; F135-F297 AromaticContact CE1-CD2 3.75Å; F135-F297 HydrophobicContact CE1-CD2 3.75Å; F135-F297 HydrophobicContact CE1-CE1 4.45Å; F135-F297 AromaticContact CE1-CE2 3.52Å; F135-F297 HydrophobicContact CE1-CE2 3.52Å; F135-F297 HydrophobicContact CE1-CG 4.31Å; F135-F297 AromaticContact CE1-CZ 3.9Å; F135-F297 HydrophobicContact CE1-CZ 3.9Å; F135-A300 HydrophobicContact CD1-CB 3.9Å; F135-A300 HydrophobicContact CD2-CB 4.19Å; F135-A300 HydrophobicContact CE1-CB 3.77Å; F135-A300 HydrophobicContact CE2-CB 4.07Å; F135-A300 HydrophobicContact CG-CB 4.11Å; F135-A300 HydrophobicContact CZ-CB 3.86Å; F135-L304 HydrophobicContact CE2-CD1 3.92Å
136	I	97.8	Very high	95.5	Very high	67 Å²	67	28 Å²	28	34%	0.344	15%	0.148	S	C	.	.	H	α-helix	trans	-62.1	-43.6	174.4	-66.3	166.2	0	0	0	110.5	I132 G133 A139 G140 L208	I132-I136 HydrophobicContact CG2-CD1 4.02Å; I132-I136 WeakPolarHBondContact O-CG1 2.99Å; I132-I136 PolarHBondContact O-N 3.49Å; I132-I136 VanDerWaalsContact O-N 3.08Å; G133-I136 WeakPolarHBondContact O-CB 3.07Å; G133-I136 PolarHBondContact O-N 3.01Å; I136-A139 PolarHBondContact O-N 3.08Å; I136-G140 PolarHBondContact O-N 2.66Å; I136-L208 HydrophobicContact CG2-CB 4.26Å; I136-L208 HydrophobicContact CG2-CD2 3.92Å
137	M	97.5	Very high	95.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.1	-43.9	177	179.7	172.4	170.5	0	0	112	Q74 F77 G133 L134 F135 G140 S141 I209	Q74-M137 HydrophobicContact CB-CE 4Å; Q74-M137 HydrophobicContact CB-SD 4.23Å; Q74-M137 HydrophobicContact CG-CE 3.8Å; Q74-M137 HydrophobicContact CG-SD 3.75Å; F77-M137 HydrophobicContact CD2-CE 3.14Å; F77-M137 HydrophobicContact CE2-CE 3.24Å; F77-M137 HydrophobicContact CG-CE 3.85Å; F77-M137 HydrophobicContact CZ-CE 4.01Å; G133-M137 PolarHBondContact O-N 3.48Å; L134-M137 PolarHBondContact O-N 3.37Å; F135-M137 VanDerWaalsContact C-N 3.33Å; M137-G140 PolarHBondContact O-N 3.3Å; M137-S141 PolarHBondContact O-N 3.28Å; M137-I209 HydrophobicContact CE-CG2 4.14Å; M137-I209 HydrophobicContact CG-CG2 4.08Å
138	S	98.2	Very high	95.6	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.007	14%	0.144	C	C	.	.	H	α-helix	trans	-62.1	-45.6	175.8	-178.6	0	0	0	0	111.6	L134 F135 G140 S141 F142 G293 F297	L134-S138 WeakPolarHBondContact O-CB 3.36Å; L134-S138 PolarHBondContact O-N 3.44Å; F135-S138 PolarHBondContact O-N 3.34Å; S138-G140 VanDerWaalsContact C-N 3.31Å; S138-G140 PolarHBondContact O-N 2.91Å; S138-S141 WeakPolarHBondContact CA-OG 3.05Å; S138-S141 PolarHBondContact O-N 3.49Å; S138-S141 VanDerWaalsContact O-N 3.08Å; S138-S141 PolarHBondContact O-OG 3.01Å; S138-F142 WeakPolarHBondContact O-CD2 3.3Å; S138-F142 PolarHBondContact O-N 3.27Å; S138-F142 VanDerWaalsContact O-N 3.09Å; S138-F142 VanDerWaalsContact OG-CE2 3.22Å; S138-F142 WeakPolarHBondContact OG-CE2 3.18Å; S138-G293 PolarHBondContact OG-O 3.06Å; S138-F297 WeakPolarHBondContact OG-CB 3.23Å
139	A	98.2	Very high	95.4	Very high	53 Å²	53	30 Å²	30	44%	0.438	15%	0.152	S	C	.	.	H	α-helix	trans	-58.3	-42.9	174	0	0	0	0	0	112.1	F135 I136 S141 F142 L143	F135-A139 PolarHBondContact O-N 3.45Å; I136-A139 PolarHBondContact O-N 3.08Å; A139-S141 VanDerWaalsContact C-N 3.32Å; A139-S141 PolarHBondContact O-N 3.17Å; A139-F142 PolarHBondContact O-N 3.05Å; A139-L143 WeakPolarHBondContact O-CB 3.33Å; A139-L143 PolarHBondContact O-N 3.47Å
140	G	98.3	Very high	95.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.3	-38.9	174	0	0	0	0	0	113.2	I136 M137 S138 L143 W144 A205	I136-G140 PolarHBondContact O-N 2.66Å; M137-G140 PolarHBondContact O-N 3.3Å; S138-G140 VanDerWaalsContact C-N 3.31Å; S138-G140 PolarHBondContact O-N 2.91Å; G140-L143 PolarHBondContact O-N 3.01Å; G140-W144 PolarHBondContact O-N 3.49Å; G140-A205 WeakPolarHBondContact O-CB 3.37Å
141	S	98	Very high	94.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.4	-39.3	177.7	68.6	0	0	0	0	113.7	M137 S138 A139 L143 W144 S145 G293	M137-S141 PolarHBondContact O-N 3.28Å; S138-S141 WeakPolarHBondContact CA-OG 3.05Å; S138-S141 PolarHBondContact O-N 3.49Å; S138-S141 VanDerWaalsContact O-N 3.08Å; S138-S141 PolarHBondContact O-OG 3.01Å; A139-S141 VanDerWaalsContact C-N 3.32Å; A139-S141 PolarHBondContact O-N 3.17Å; S141-L143 VanDerWaalsContact C-N 3.33Å; S141-W144 WeakPolarHBondContact O-CB 3.43Å; S141-W144 PolarHBondContact O-N 3.47Å; S141-S145 PolarHBondContact O-N 3.04Å; S141-G293 WeakPolarHBondContact OG-CA 3.43Å
142	F	98.1	Very high	92.9	Very high	78 Å²	78	36.8 Å²	36.8	34%	0.342	19%	0.19	S	C	.	.	H	α-helix	trans	-68.9	-35.2	172.8	-62.5	-54.3	0	0	0	111.6	S138 A139 W144 S145 L146 I290	S138-F142 WeakPolarHBondContact O-CD2 3.3Å; S138-F142 PolarHBondContact O-N 3.27Å; S138-F142 VanDerWaalsContact O-N 3.09Å; S138-F142 VanDerWaalsContact OG-CE2 3.22Å; S138-F142 WeakPolarHBondContact OG-CE2 3.18Å; A139-F142 PolarHBondContact O-N 3.05Å; F142-W144 VanDerWaalsContact C-N 3.27Å; F142-W144 PolarHBondContact O-N 3.09Å; F142-S145 PolarHBondContact O-N 3.14Å; F142-S145 PolarHBondContact O-OG 3.36Å; F142-L146 PolarHBondContact O-N 2.86Å; F142-I290 HydrophobicContact CD1-CG1 4.45Å; F142-I290 HydrophobicContact CE1-CG2 4.14Å
143	L	96.8	Very high	91.2	Very high	40 Å²	40	35.1 Å²	35.1	21%	0.209	18%	0.182	C	C	.	.	H	α-helix	trans	-65.7	-32.7	173.9	-171.5	64.2	0	0	0	111.9	A139 G140 S141 L146 P147 V201 F204 A205 L208	A139-L143 WeakPolarHBondContact O-CB 3.33Å; A139-L143 PolarHBondContact O-N 3.47Å; G140-L143 PolarHBondContact O-N 3.01Å; S141-L143 VanDerWaalsContact C-N 3.33Å; L143-L146 HydrophobicContact CD1-CB 4.42Å; L143-L146 HydrophobicContact CD1-CD2 3.67Å; L143-L146 VanDerWaalsContact O-CB 3.23Å; L143-L146 WeakPolarHBondContact O-CB 3.48Å; L143-L146 PolarHBondContact O-N 2.74Å; L143-P147 WeakPolarHBondContact O-CD 3.39Å; L143-V201 HydrophobicContact CD1-CG1 3.89Å; L143-V201 HydrophobicContact CG-CG1 3.98Å; L143-F204 HydrophobicContact CD2-CB 4.4Å; L143-F204 HydrophobicContact CD2-CD1 3.47Å; L143-F204 VanDerWaalsContact CD2-CD1 3.47Å; L143-F204 HydrophobicContact CD2-CE1 4.17Å; L143-F204 HydrophobicContact CD2-CG 4.33Å; L143-A205 HydrophobicContact CB-CB 4.08Å; L143-A205 HydrophobicContact CD2-CB 4.18Å; L143-A205 HydrophobicContact CG-CB 4.09Å; L143-L208 HydrophobicContact CD2-CD1 4.11Å
144	W	96.6	Very high	89	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-65.2	-37.5	175.5	-162.6	-59	0	0	0	112.7	T81 G140 S141 F142 L146 P147 F202 A205 Q206 I209 F289	T81-W144 HydrophobicContact CG2-CH2 3.63Å; T81-W144 HydrophobicContact CG2-CZ2 3.83Å; T81-W144 WeakPolarHBondContact OG1-CH2 3.41Å; G140-W144 PolarHBondContact O-N 3.49Å; S141-W144 WeakPolarHBondContact O-CB 3.43Å; S141-W144 PolarHBondContact O-N 3.47Å; F142-W144 VanDerWaalsContact C-N 3.27Å; F142-W144 PolarHBondContact O-N 3.09Å; W144-L146 VanDerWaalsContact C-N 3.3Å; W144-P147 WeakPolarHBondContact O-CD 3.46Å; W144-F202 AromaticContact CD1-CD1 3.74Å; W144-F202 AromaticContact CD1-CE1 3.47Å; W144-F202 VanDerWaalsContact CD1-CE1 3.47Å; W144-F202 HydrophobicContact CD2-CD1 4.32Å; W144-F202 HydrophobicContact CG-CD1 4.11Å; W144-F202 HydrophobicContact CG-CE1 4.23Å; W144-F202 AromaticContact NE1-CD1 3.57Å; W144-F202 AromaticContact NE1-CE1 3.42Å; W144-F202 WeakPolarHBondContact O-CE1 3.48Å; W144-A205 HydrophobicContact CB-CB 4.02Å; W144-A205 HydrophobicContact CE3-CB 4.42Å; W144-Q206 HydrophobicContact CE3-CG 3.95Å; W144-Q206 HydrophobicContact CH2-CG 3.87Å; W144-Q206 HydrophobicContact CZ3-CG 3.52Å; W144-I209 HydrophobicContact CE3-CD1 3.45Å; W144-I209 VanDerWaalsContact CE3-CD1 3.45Å; W144-I209 HydrophobicContact CZ3-CD1 3.8Å; W144-F289 HydrophobicContact CB-CD1 4.03Å; W144-F289 HydrophobicContact CB-CE1 4.41Å; W144-F289 HydrophobicContact CB-CG 4.18Å; W144-F289 AromaticContact CD1-CD2 3.71Å; W144-F289 AromaticContact CD1-CE2 3.55Å; W144-F289 AromaticContact CD1-CZ 3.8Å; W144-F289 HydrophobicContact CD2-CD1 4.04Å; W144-F289 AromaticContact CD2-CE1 3.51Å; W144-F289 HydrophobicContact CD2-CE1 3.51Å; W144-F289 HydrophobicContact CD2-CE2 4.18Å; W144-F289 AromaticContact CD2-CZ 3.61Å; W144-F289 HydrophobicContact CD2-CZ 3.61Å; W144-F289 AromaticContact CE2-CE1 3.72Å; W144-F289 AromaticContact CE2-CE2 3.77Å; W144-F289 AromaticContact CE2-CZ 3.28Å; W144-F289 HydrophobicContact CE3-CD1 4.26Å; W144-F289 AromaticContact CE3-CE1 3.63Å; W144-F289 HydrophobicContact CE3-CE1 3.63Å; W144-F289 HydrophobicContact CE3-CZ 4.08Å; W144-F289 AromaticContact CG-CD1 3.92Å; W144-F289 HydrophobicContact CG-CD1 3.92Å; W144-F289 HydrophobicContact CG-CD2 4.15Å; W144-F289 AromaticContact CG-CE1 3.85Å; W144-F289 HydrophobicContact CG-CE1 3.85Å; W144-F289 HydrophobicContact CG-CE2 4.1Å; W144-F289 HydrophobicContact CG-CG 4.09Å; W144-F289 AromaticContact CG-CZ 3.97Å; W144-F289 HydrophobicContact CG-CZ 3.97Å; W144-F289 AromaticContact CH2-CE1 3.9Å; W144-F289 HydrophobicContact CH2-CE1 3.9Å; W144-F289 AromaticContact CH2-CZ 3.75Å; W144-F289 HydrophobicContact CH2-CZ 3.75Å; W144-F289 HydrophobicContact CZ2-CE1 4.01Å; W144-F289 HydrophobicContact CZ2-CE2 4.24Å; W144-F289 AromaticContact CZ2-CZ 3.46Å; W144-F289 HydrophobicContact CZ2-CZ 3.46Å; W144-F289 VanDerWaalsContact CZ2-CZ 3.46Å; W144-F289 AromaticContact CZ3-CE1 3.73Å; W144-F289 HydrophobicContact CZ3-CE1 3.73Å; W144-F289 HydrophobicContact CZ3-CZ 4.06Å; W144-F289 AromaticContact NE1-CE2 3.47Å; W144-F289 AromaticContact NE1-CZ 3.52Å
145	S	95.6	Very high	86.6	Confident	6 Å²	6	41.1 Å²	41.1	4%	0.042	22%	0.223	C	C	.	.	H	α-helix	trans	-76.2	-18.9	177.5	60.4	0	0	0	0	113	S141 F142 P147 H148 F149 I290	S141-S145 PolarHBondContact O-N 3.04Å; F142-S145 PolarHBondContact O-N 3.14Å; F142-S145 PolarHBondContact O-OG 3.36Å; S145-P147 VanDerWaalsContact C-CD 3.46Å; S145-H148 WeakPolarHBondContact O-CB 3.22Å; S145-H148 PolarHBondContact O-N 2.89Å; S145-F149 WeakPolarHBondContact O-CD2 3.36Å; S145-I290 WeakPolarHBondContact OG-CG1 3.24Å
146	L	93.5	Very high	84.2	Confident	69 Å²	69	43 Å²	43	36%	0.361	23%	0.228	S	C	.	.	H	α-helix	trans	-52.6	-42.9	-176.6	-173.2	68.3	0	0	0	114.9	F142 L143 W144 H148 F149 V150 V201	F142-L146 PolarHBondContact O-N 2.86Å; L143-L146 HydrophobicContact CD1-CB 4.42Å; L143-L146 HydrophobicContact CD1-CD2 3.67Å; L143-L146 VanDerWaalsContact O-CB 3.23Å; L143-L146 WeakPolarHBondContact O-CB 3.48Å; L143-L146 PolarHBondContact O-N 2.74Å; W144-L146 VanDerWaalsContact C-N 3.3Å; L146-H148 PolarHBondContact O-N 3.14Å; L146-H148 VanDerWaalsContact O-N 3.09Å; L146-F149 PolarHBondContact O-N 3.47Å; L146-V150 HydrophobicContact CD1-CG2 3.56Å; L146-V150 HydrophobicContact CD2-CG2 4.28Å; L146-V150 HydrophobicContact CG-CG2 3.63Å; L146-V150 PolarHBondContact O-N 3.01Å; L146-V201 HydrophobicContact CD2-CG1 4.43Å
147	P	92.1	Very high	81.7	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-58.3	-26	-178.6	-29.6	39.8	0	0	0	114.5	F92 L143 W144 S145 F149 F151 F198 V201 F202	F92-P147 HydrophobicContact CE1-CB 4.08Å; F92-P147 HydrophobicContact CZ-CB 3.72Å; L143-P147 WeakPolarHBondContact O-CD 3.39Å; W144-P147 WeakPolarHBondContact O-CD 3.46Å; S145-P147 VanDerWaalsContact C-CD 3.46Å; P147-F149 VanDerWaalsContact C-N 3.29Å; P147-F149 PolarHBondContact O-N 3.05Å; P147-F151 HydrophobicContact CB-CD2 3.85Å; P147-F151 HydrophobicContact CB-CE2 4.38Å; P147-F151 WeakPolarHBondContact O-CB 3.27Å; P147-F151 PolarHBondContact O-N 3.46Å; P147-F198 HydrophobicContact CB-CB 4.45Å; P147-V201 HydrophobicContact CG-CB 4.14Å; P147-V201 HydrophobicContact CG-CG1 3.77Å; P147-F202 HydrophobicContact CB-CE2 4Å; P147-F202 HydrophobicContact CB-CZ 3.81Å; P147-F202 HydrophobicContact CG-CD1 4.47Å; P147-F202 HydrophobicContact CG-CD2 4.37Å; P147-F202 HydrophobicContact CG-CE1 4Å; P147-F202 HydrophobicContact CG-CE2 3.92Å; P147-F202 HydrophobicContact CG-CZ 3.72Å
148	H	87.8	Confident	78.9	Confident	9 Å²	9	46 Å²	46	4%	0.042	25%	0.253	C	S	.	.	H	α-helix	trans	-61.2	-40	173.6	-178.4	-97.3	0	0	0	112.2	S145 L146 A263 D264 W285 W286	S145-H148 WeakPolarHBondContact O-CB 3.22Å; S145-H148 PolarHBondContact O-N 2.89Å; L146-H148 PolarHBondContact O-N 3.14Å; L146-H148 VanDerWaalsContact O-N 3.09Å; H148-A263 PolarHBondContact NE2-O 3.22Å; H148-D264 IonicContact NE2-OD1 3.83Å; H148-W285 HydrophobicContact CB-CH2 3.82Å; H148-W285 HydrophobicContact CB-CZ2 3.64Å; H148-W286 HydrophobicContact CB-CB 4.05Å; H148-W286 HydrophobicContact CB-CG 4.11Å; H148-W286 AromaticContact CD2-CD1 3.25Å; H148-W286 AromaticContact CD2-NE1 3.64Å; H148-W286 AromaticContact CE1-CD1 3.66Å; H148-W286 AromaticContact CE1-CE2 3.92Å; H148-W286 AromaticContact CE1-NE1 3.27Å; H148-W286 PolarHBondContact CE1-NE1 3.07Å; H148-W286 VanDerWaalsContact CE1-NE1 3.27Å; H148-W286 AromaticContact CG-CD1 3.34Å; H148-W286 AromaticContact CG-CG 3.81Å; H148-W286 AromaticContact CG-NE1 3.8Å; H148-W286 AromaticContact ND1-CD1 3.6Å; H148-W286 AromaticContact ND1-NE1 3.58Å; H148-W286 AromaticContact NE2-CD1 3.44Å; H148-W286 AromaticContact NE2-NE1 3.28Å; H148-W286 PolarHBondContact NE2-NE1 3.13Å
149	F	88.7	Confident	76.2	Confident	98 Å²	98	49.3 Å²	49.3	43%	0.43	28%	0.277	S	S	.	.	H	α-helix	trans	-89.8	-31.7	-174	-55.2	-74.9	0	0	0	112.9	S145 L146 P147 L266 W286 I290	S145-F149 WeakPolarHBondContact O-CD2 3.36Å; L146-F149 PolarHBondContact O-N 3.47Å; P147-F149 VanDerWaalsContact C-N 3.29Å; P147-F149 PolarHBondContact O-N 3.05Å; F149-L266 HydrophobicContact CE1-CD1 4.28Å; F149-W286 HydrophobicContact CE2-CE3 4.34Å; F149-W286 HydrophobicContact CZ-CD2 4.05Å; F149-W286 AromaticContact CZ-CE3 3.74Å; F149-W286 HydrophobicContact CZ-CE3 3.74Å; F149-W286 HydrophobicContact CZ-CH2 4.47Å; F149-W286 AromaticContact CZ-CZ3 3.98Å; F149-W286 HydrophobicContact CZ-CZ3 3.98Å; F149-I290 HydrophobicContact CE2-CD1 4.19Å; F149-I290 HydrophobicContact CZ-CD1 4.23Å
150	V	86	Confident	73.7	Confident	89 Å²	89	50.2 Å²	50.2	54%	0.539	28%	0.277	S	S	.	.	H	α-helix	trans	-88.1	-41.5	-176.7	176.4	0	0	0	0	112.1	L146 F152	L146-V150 HydrophobicContact CD1-CG2 3.56Å; L146-V150 HydrophobicContact CD2-CG2 4.28Å; L146-V150 HydrophobicContact CG-CG2 3.63Å; L146-V150 PolarHBondContact O-N 3.01Å; V150-F152 VanDerWaalsContact C-N 3.29Å; V150-F152 PolarHBondContact O-N 3.35Å
151	F	77.6	Confident	71.1	Confident	46 Å²	46	53 Å²	53	20%	0.202	30%	0.296	C	S	.	.	S	Bend	trans	-99.4	37.7	179.5	-55.9	-75.2	0	0	0	111.1	P147 D153 I194 A197 F198 V201	P147-F151 HydrophobicContact CB-CD2 3.85Å; P147-F151 HydrophobicContact CB-CE2 4.38Å; P147-F151 WeakPolarHBondContact O-CB 3.27Å; P147-F151 PolarHBondContact O-N 3.46Å; F151-D153 PolarHBondContact O-N 3.34Å; F151-D153 VanDerWaalsContact O-N 3.12Å; F151-I194 HydrophobicContact CD1-CG2 3.49Å; F151-I194 VanDerWaalsContact CD1-CG2 3.49Å; F151-I194 HydrophobicContact CE1-CG2 4.02Å; F151-I194 HydrophobicContact CG-CG2 4.35Å; F151-A197 HydrophobicContact CE1-CB 3.75Å; F151-A197 HydrophobicContact CZ-CB 3.97Å; F151-F198 HydrophobicContact CD2-CB 3.82Å; F151-F198 HydrophobicContact CE2-CB 3.83Å; F151-F198 HydrophobicContact CG-CB 4.42Å; F151-F198 HydrophobicContact CZ-CB 4.4Å; F151-V201 HydrophobicContact CE2-CG2 4.33Å
152	F	64.1	Low	68.8	Low	67 Å²	67	56.6 Å²	56.6	29%	0.294	31%	0.314	S	S	.	.			trans	-74.3	101.9	177.8	-174.4	-96	0	0	0	110	V150 S154 D264	V150-F152 VanDerWaalsContact C-N 3.29Å; V150-F152 PolarHBondContact O-N 3.35Å; F152-S154 WeakPolarHBondContact CE1-OG 3.43Å; F152-S154 PolarHBondContact O-N 3.48Å; F152-D264 WeakPolarHBondContact CE2-OD1 3.34Å
153	D	58.7	Low	66.4	Low	45 Å²	45	58 Å²	58	24%	0.241	33%	0.325	C	S	.	.			trans	-86.2	106.4	172.5	-167.9	-5.8	0	0	0	110.3	F151 S155	F151-D153 PolarHBondContact O-N 3.34Å; F151-D153 VanDerWaalsContact O-N 3.12Å; D153-S155 PolarHBondContact O-N 3.32Å; D153-S155 WeakPolarHBondContact OD1-CB 3.3Å; D153-S155 PolarHBondContact OD1-N 3.14Å; D153-S155 PolarHBondContact OD1-OG 3.37Å; D153-S155 PolarHBondContact OD2-OG 2.87Å
154	S	50.5	Low	64.5	Low	71 Å²	71	61.3 Å²	61.3	50%	0.497	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-65.7	-21.6	173.7	-63.7	0	0	0	0	112.3	F152 R156 T157 S158	F152-S154 WeakPolarHBondContact CE1-OG 3.43Å; F152-S154 PolarHBondContact O-N 3.48Å; S154-R156 VanDerWaalsContact C-N 3.27Å; S154-R156 PolarHBondContact O-N 3.36Å; S154-T157 PolarHBondContact O-N 3.41Å; S154-T157 PolarHBondContact O-OG1 3.3Å; S154-S158 PolarHBondContact O-N 3.07Å
155	S	47.2	Very low	63.3	Low	59 Å²	59	62.7 Å²	62.7	41%	0.413	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-65	-29	-175.2	76.8	0	0	0	0	112.6	D153 T157 S158	D153-S155 PolarHBondContact O-N 3.32Å; D153-S155 WeakPolarHBondContact OD1-CB 3.3Å; D153-S155 PolarHBondContact OD1-N 3.14Å; D153-S155 PolarHBondContact OD1-OG 3.37Å; D153-S155 PolarHBondContact OD2-OG 2.87Å; S155-T157 PolarHBondContact O-N 2.92Å; S155-S158 VanDerWaalsContact O-CB 3.27Å; S155-S158 WeakPolarHBondContact O-CB 3.45Å; S155-S158 PolarHBondContact O-N 2.88Å; S155-S158 VanDerWaalsContact O-N 3.09Å
156	R	47.6	Very low	62.7	Low	101 Å²	101	63.3 Å²	63.3	38%	0.381	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-67.7	-17.7	173.5	-71.3	-172.3	173.7	175.2	-0.3	114.4	R91 S154 E686	R91-R156 PolarHBondContact O-NH1 2.93Å; S154-R156 VanDerWaalsContact C-N 3.27Å; S154-R156 PolarHBondContact O-N 3.36Å; R156-E686 IonicContact NH2-OE2 4Å; R156-E686 PolarHBondContact NH2-OE2 2.87Å
157	T	43.5	Very low	62.2	Low	55 Å²	55	60.4 Å²	60.4	34%	0.337	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-92.5	-15.6	173.5	70	0	0	0	0	112.9	S154 S155 S159 K270	S154-T157 PolarHBondContact O-N 3.41Å; S154-T157 PolarHBondContact O-OG1 3.3Å; S155-T157 PolarHBondContact O-N 2.92Å; T157-S159 PolarHBondContact O-N 2.95Å; T157-K270 PolarHBondContact O-NZ 3.41Å
158	S	40.5	Very low	61.6	Low	75 Å²	75	65.1 Å²	65.1	52%	0.524	36%	0.363	S	S	.	.	S	Bend	trans	-67.3	116.8	163.1	-59	0	0	0	0	104.7	S154 S155 V160	S154-S158 PolarHBondContact O-N 3.07Å; S155-S158 VanDerWaalsContact O-CB 3.27Å; S155-S158 WeakPolarHBondContact O-CB 3.45Å; S155-S158 PolarHBondContact O-N 2.88Å; S155-S158 VanDerWaalsContact O-N 3.09Å; S158-V160 PolarHBondContact O-N 3.21Å
159	S	40.8	Very low	61.1	Low	72 Å²	72	68.9 Å²	68.9	50%	0.503	38%	0.383	S	S	.	.			trans	-37.6	114.8	165.4	45.4	0	0	0	0	107.7	T157 S161	T157-S159 PolarHBondContact O-N 2.95Å; S159-S161 VanDerWaalsContact C-N 3.33Å; S159-S161 WeakPolarHBondContact O-CA 3.37Å; S159-S161 PolarHBondContact O-N 3.36Å
160	V	45.8	Very low	60.1	Low	72 Å²	72	68.5 Å²	68.5	44%	0.436	39%	0.393	S	S	.	.	S	Bend	trans	-35.7	116.3	145	170.5	0	0	0	0	103.2	S158 L162 E164 Q165	S158-V160 PolarHBondContact O-N 3.21Å; V160-L162 WeakPolarHBondContact O-CA 3.45Å; V160-L162 PolarHBondContact O-N 3.01Å; V160-E164 HydrophobicContact CG1-CB 3.78Å; V160-Q165 HydrophobicContact CG1-CG 4.12Å
161	S	43.9	Very low	58.7	Low	57 Å²	57	68.3 Å²	68.3	40%	0.399	39%	0.392	S	S	.	.			trans	-48.9	123.6	-164.1	61.7	0	0	0	0	104.8	S159 N163 E164	S159-S161 VanDerWaalsContact C-N 3.33Å; S159-S161 WeakPolarHBondContact O-CA 3.37Å; S159-S161 PolarHBondContact O-N 3.36Å; S161-N163 CarbonylContact O-C 3.56Å; S161-N163 PolarHBondContact O-N 3.24Å; S161-E164 PolarHBondContact N-OE2 3.21Å; S161-E164 WeakPolarHBondContact O-CB 3.42Å; S161-E164 PolarHBondContact O-N 3.47Å; S161-E164 WeakPolarHBondContact OG-CG 3.42Å; S161-E164 PolarHBondContact OG-OE2 3.42Å
162	L	49	Very low	57.4	Low	76 Å²	76	73.9 Å²	73.9	40%	0.398	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-19.8	-160.2	-95	-178.2	0	0	0	110.2	V160 R569	V160-L162 WeakPolarHBondContact O-CA 3.45Å; V160-L162 PolarHBondContact O-N 3.01Å; L162-R569 VanDerWaalsContact CA-NH1 3.34Å; L162-R569 VanDerWaalsContact CB-CZ 3.48Å; L162-R569 VanDerWaalsContact CB-NH2 3.29Å; L162-R569 PolarHBondContact O-NH1 2.74Å; L162-R569 PolarHBondContact O-NH2 3.43Å; L162-R569 VanDerWaalsContact O-NH2 3.07Å
163	N	49.2	Very low	56.4	Low	107 Å²	107	76.9 Å²	76.9	57%	0.572	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-20.9	172.8	-64.6	-7.7	0	0	0	116.7	S161 Q165 L166 R569	S161-N163 CarbonylContact O-C 3.56Å; S161-N163 PolarHBondContact O-N 3.24Å; N163-Q165 PolarHBondContact O-N 3.42Å; N163-L166 PolarHBondContact O-N 3.33Å; N163-L166 VanDerWaalsContact O-N 3.16Å; N163-R569 PolarHBondContact OD1-NH2 2.67Å
164	E	55.5	Low	55.6	Low	111 Å²	111	78 Å²	78	52%	0.519	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-26	179.2	-94.9	164.9	154.2	0	0	113.3	V160 S161 L166	V160-E164 HydrophobicContact CG1-CB 3.78Å; S161-E164 PolarHBondContact N-OE2 3.21Å; S161-E164 WeakPolarHBondContact O-CB 3.42Å; S161-E164 PolarHBondContact O-N 3.47Å; S161-E164 WeakPolarHBondContact OG-CG 3.42Å; S161-E164 PolarHBondContact OG-OE2 3.42Å; E164-L166 VanDerWaalsContact C-N 3.29Å; E164-L166 PolarHBondContact O-N 3.21Å
165	Q	71	Confident	54.9	Low	31 Å²	31	80.8 Å²	80.8	15%	0.145	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-11.6	-179.5	-62.2	-171.6	-35.4	0	0	113.6	V160 N163 P561 C562	V160-Q165 HydrophobicContact CG1-CG 4.12Å; N163-Q165 PolarHBondContact O-N 3.42Å; Q165-P561 HydrophobicContact CB-CG 4.14Å; Q165-P561 CarbonylContact O-C 3.51Å; Q165-P561 VanDerWaalsContact O-CB 3.28Å; Q165-P561 WeakPolarHBondContact O-CB 3.26Å; Q165-C562 WeakPolarHBondContact O-CB 3.3Å; Q165-C562 PolarHBondContact O-N 2.88Å
166	L	84.3	Confident	54.6	Low	18 Å²	18	81.8 Å²	81.8	9%	0.094	48%	0.48	C	S	.	.	S	Bend	trans	-97.8	156.8	-175.9	-68.1	161.7	0	0	0	111.3	N163 E164 V168 C566 R569 F579	N163-L166 PolarHBondContact O-N 3.33Å; N163-L166 VanDerWaalsContact O-N 3.16Å; E164-L166 VanDerWaalsContact C-N 3.29Å; E164-L166 PolarHBondContact O-N 3.21Å; L166-V168 PolarHBondContact O-N 3.01Å; L166-C566 HydrophobicContact CD2-CB 4.36Å; L166-C566 WeakPolarHBondContact CD2-O 3.17Å; L166-R569 HydrophobicContact CD1-CG 4.32Å; L166-F579 HydrophobicContact CD2-CD1 4Å; L166-F579 HydrophobicContact CD2-CE1 4.37Å
167	C	83.1	Confident	54.2	Low	9 Å²	9	79.9 Å²	79.9	6%	0.061	49%	0.485	C	S	.	.			trans	-73.6	111.7	172	174	0	0	0	0	110.5	C539 C566	C167-C539 HydrophobicContact CB-CB 3.67Å; C167-C539 WeakPolarHBondContact CB-SG 3.35Å; C167-C539 WeakPolarHBondContact SG-CB 3.12Å; C167-C539 CovalentContact SG-SG 2.02Å; C167-C539 PolarHBondContact SG-SG 3.35Å; C167-C566 PolarHBondContact N-O 3.23Å
168	V	79.8	Confident	53.9	Low	100 Å²	100	87.1 Å²	87.1	61%	0.606	52%	0.515	S	S	*	.			trans	-98.8	114	169.8	-175.7	0	0	0	0	108.2	L166 S170	L166-V168 PolarHBondContact O-N 3.01Å; V168-S170 PolarHBondContact O-N 3.16Å
169	L	75.5	Confident	53.7	Low	87 Å²	87	86.5 Å²	86.5	46%	0.455	52%	0.521	S	S	.	.			trans	-69.8	126.6	177.1	-83.7	75.1	0	0	0	109.9	T171 Q567	L169-T171 PolarHBondContact O-N 3.44Å; L169-Q567 VanDerWaalsContact CD1-NE2 3.29Å
170	S	68.5	Low	53.7	Low	90 Å²	90	87.6 Å²	87.6	63%	0.629	53%	0.528	S	S	*	.			trans	-67.4	96.9	170.8	-179.4	0	0	0	0	110.7	V168 N538	V168-S170 PolarHBondContact O-N 3.16Å; S170-N538 PolarHBondContact N-O 3.14Å
171	T	55.8	Low	53.2	Low	86 Å²	86	89.3 Å²	89.3	53%	0.528	54%	0.535	S	S	.	.			trans	-80.6	127.2	169.9	38.8	0	0	0	0	110.8	L169 T173 S174	L169-T171 PolarHBondContact O-N 3.44Å; T171-T173 PolarHBondContact O-N 3.23Å; T171-S174 PolarHBondContact OG1-OG 2.89Å; T171-S174 VanDerWaalsContact OG1-OG 3.1Å
172	N	51.3	Low	53.1	Low	162 Å²	162	93 Å²	93	87%	0.866	55%	0.549	S	S	*	.	S	Bend	trans	-62.6	3.6	176	-77.6	-9.5	0	0	0	115.2
173	T	43.9	Very low	52.5	Low	130 Å²	130	97.3 Å²	97.3	80%	0.798	57%	0.565	S	S	*	*	S	Bend	trans	-142.8	66	179.2	48.6	0	0	0	0	111	T171	T171-T173 PolarHBondContact O-N 3.23Å
174	S	41.1	Very low	52.3	Low	68 Å²	68	97.4 Å²	97.4	48%	0.476	57%	0.574	S	S	.	*			trans	-166.5	114.3	152.3	45	0	0	0	0	108.4	T171 C176	T171-S174 PolarHBondContact OG1-OG 2.89Å; T171-S174 VanDerWaalsContact OG1-OG 3.1Å; S174-C176 PolarHBondContact O-N 2.81Å
175	T	34.8	Very low	51.6	Low	131 Å²	131	99.2 Å²	99.2	80%	0.804	59%	0.587	S	S	*	*			trans	-36.1	104.6	156	42.1	0	0	0	0	110.6	A177	T175-A177 PolarHBondContact O-N 3.39Å
176	C	42.6	Very low	50.2	Low	80 Å²	80	103.7 Å²	103.7	54%	0.541	61%	0.611	S	S	.	*			trans	-68.6	56	160.2	-59.9	0	0	0	0	109.3	S174 C180 N181	S174-C176 PolarHBondContact O-N 2.81Å; C176-C180 HydrophobicContact CB-CB 4Å; C176-N181 PolarHBondContact O-OD1 3.1Å
177	A	39	Very low	48.5	Very low	61 Å²	61	105.2 Å²	105.2	50%	0.504	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.3	-10.9	-174.6	0	0	0	0	0	113.7	T175	T175-A177 PolarHBondContact O-N 3.39Å
178	E	37.4	Very low	47	Very low	206 Å²	206	107.1 Å²	107.1	96%	0.963	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.6	19.4	-177.3	-84.5	-172.1	156.5	0	0	115.8
179	G	35.7	Very low	45.5	Very low	63 Å²	63	106.4 Å²	106.4	65%	0.649	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.2	-23.7	175.8	0	0	0	0	0	117.7
180	C	41.7	Very low	44.2	Very low	95 Å²	95	109.9 Å²	109.9	64%	0.642	66%	0.657	S	S	*	*	S	Bend	trans	-113.7	9.3	-178.8	-58.5	0	0	0	0	113.9	C176 D182	C176-C180 HydrophobicContact CB-CB 4Å; C180-D182 PolarHBondContact O-N 3.47Å
181	N	34.1	Very low	43.2	Very low	108 Å²	108	107.1 Å²	107.1	58%	0.578	64%	0.638	S	S	*	*	S	Bend	trans	-80.7	113.5	170.2	-73.2	-13.6	0	0	0	109	C176 K183	C176-N181 PolarHBondContact O-OD1 3.1Å; N181-K183 PolarHBondContact O-N 3.39Å
182	D	42.2	Very low	42.8	Very low	133 Å²	133	105.3 Å²	105.3	71%	0.711	63%	0.629	S	S	*	*	S	Bend	trans	59.9	36.2	159.6	-59.1	-25.5	0	0	0	119.3	C180	C180-D182 PolarHBondContact O-N 3.47Å
183	K	36.3	Very low	42.6	Very low	168 Å²	168	102.9 Å²	102.9	73%	0.73	62%	0.62	S	S	*	*	S	Bend	trans	-113.3	-26.3	164.3	-77.5	-176.5	179.5	175.1	0	115.6	N181 L185 L186	N181-K183 PolarHBondContact O-N 3.39Å; K183-L185 PolarHBondContact O-N 2.9Å; K183-L186 PolarHBondContact O-N 3.32Å
184	S	45.3	Very low	43.5	Very low	108 Å²	108	99.9 Å²	99.9	76%	0.755	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-25.2	177.4	56.6	0	0	0	0	112.9
185	L	39.8	Very low	44.9	Very low	150 Å²	150	97.4 Å²	97.4	79%	0.785	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-19.1	176.4	-139.1	128	0	0	0	113.3	K183	K183-L185 PolarHBondContact O-N 2.9Å
186	L	41.4	Very low	47.2	Very low	125 Å²	125	96.9 Å²	96.9	65%	0.654	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-19.8	-177	-140.9	93.3	0	0	0	113.6	K183 C188 S189	K183-L186 PolarHBondContact O-N 3.32Å; L186-C188 PolarHBondContact O-N 2.67Å; L186-S189 PolarHBondContact O-N 3.15Å
187	G	49.2	Very low	49.3	Very low	50 Å²	50	95.3 Å²	95.3	52%	0.515	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.7	-19.8	176.6	0	0	0	0	0	114.1	S191	G187-S191 PolarHBondContact O-OG 3.33Å
188	C	51.1	Low	51.7	Low	48 Å²	48	93 Å²	93	32%	0.324	54%	0.54	S	S	.	.	H	α-helix	trans	-95.1	-0.5	180	-68.8	0	0	0	0	115	L186 S192 C687	L186-C188 PolarHBondContact O-N 2.67Å; C188-S192 VanDerWaalsContact O-CB 3.26Å; C188-S192 WeakPolarHBondContact O-CB 3.22Å; C188-S192 PolarHBondContact O-OG 3.47Å; C188-C687 WeakPolarHBondContact CA-SG 3.38Å; C188-C687 HydrophobicContact CB-CB 3.77Å; C188-C687 WeakPolarHBondContact CB-SG 3.4Å; C188-C687 WeakPolarHBondContact SG-CA 2.87Å; C188-C687 WeakPolarHBondContact SG-CB 3.34Å; C188-C687 CovalentContact SG-SG 2.04Å; C188-C687 PolarHBondContact SG-SG 3.42Å
189	S	49.2	Very low	54.3	Low	86 Å²	86	85 Å²	85	60%	0.601	50%	0.503	S	S	*	.	H	α-helix	trans	-76.2	-31.1	-178.6	-162.2	0	0	0	0	113.2	L186	L186-S189 PolarHBondContact O-N 3.15Å
190	E	47.5	Very low	57.1	Low	159 Å²	159	85.9 Å²	85.9	74%	0.743	50%	0.498	S	S	*	.	H	α-helix	trans	-101.3	-43.3	179.5	-70.6	-170.7	164.3	0	0	112.4	S192 T193	E190-S192 VanDerWaalsContact C-N 3.28Å; E190-S192 PolarHBondContact O-N 2.93Å; E190-T193 WeakPolarHBondContact O-CB 3.18Å; E190-T193 PolarHBondContact O-N 2.89Å; E190-T193 PolarHBondContact O-OG1 2.84Å
191	S	48.1	Very low	59.6	Low	33 Å²	33	82.9 Å²	82.9	23%	0.231	48%	0.476	C	S	.	.	H	α-helix	trans	-67.7	-24.4	-176.8	-46.8	0	0	0	0	114	G187 T193 R689	G187-S191 PolarHBondContact O-OG 3.33Å; S191-T193 VanDerWaalsContact C-N 3.26Å; S191-T193 PolarHBondContact O-N 3.37Å; S191-R689 PolarHBondContact O-NH1 2.84Å
192	S	47.1	Very low	62.6	Low	48 Å²	48	78 Å²	78	34%	0.336	45%	0.45	S	S	.	.	H	α-helix	trans	-67.6	-25.4	172.9	58.4	0	0	0	0	112.5	C188 E190 R689	C188-S192 VanDerWaalsContact O-CB 3.26Å; C188-S192 WeakPolarHBondContact O-CB 3.22Å; C188-S192 PolarHBondContact O-OG 3.47Å; E190-S192 VanDerWaalsContact C-N 3.28Å; E190-S192 PolarHBondContact O-N 2.93Å; S192-R689 PolarHBondContact O-NH1 3.47Å; S192-R689 PolarHBondContact O-NH2 3.24Å
193	T	47.9	Very low	65.2	Low	111 Å²	111	73.9 Å²	73.9	68%	0.681	43%	0.427	S	S	*	.	H	α-helix	trans	-72.9	-31.2	-179.6	67.2	0	0	0	0	113.5	E190 S191 G195	E190-T193 WeakPolarHBondContact O-CB 3.18Å; E190-T193 PolarHBondContact O-N 2.89Å; E190-T193 PolarHBondContact O-OG1 2.84Å; S191-T193 VanDerWaalsContact C-N 3.26Å; S191-T193 PolarHBondContact O-N 3.37Å; T193-G195 VanDerWaalsContact C-N 3.31Å; T193-G195 PolarHBondContact O-N 3.46Å
194	I	61.5	Low	68.1	Low	66 Å²	66	71.4 Å²	71.4	34%	0.338	42%	0.417	S	S	.	.	H	α-helix	trans	-72.4	-25	-176.8	-61.9	173.2	0	0	0	112.1	F151 A197	F151-I194 HydrophobicContact CD1-CG2 3.49Å; F151-I194 VanDerWaalsContact CD1-CG2 3.49Å; F151-I194 HydrophobicContact CE1-CG2 4.02Å; F151-I194 HydrophobicContact CG-CG2 4.35Å; I194-A197 WeakPolarHBondContact O-CB 3.18Å; I194-A197 PolarHBondContact O-N 2.96Å
195	G	71.9	Confident	70.6	Confident	17 Å²	17	66.2 Å²	66.2	18%	0.175	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	-145	166.3	0	0	0	0	0	115.2	T193 A197 F198 R689	T193-G195 VanDerWaalsContact C-N 3.31Å; T193-G195 PolarHBondContact O-N 3.46Å; G195-A197 PolarHBondContact O-N 3.15Å; G195-F198 VanDerWaalsContact O-CE1 3.29Å; G195-F198 WeakPolarHBondContact O-CE1 3.47Å; G195-R689 VanDerWaalsContact CA-CZ 3.45Å; G195-R689 VanDerWaalsContact CA-NH1 3.3Å
196	Y	82.5	Confident	73.4	Confident	119 Å²	119	59.4 Å²	59.4	47%	0.467	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	26.3	165.3	-69.2	-75.9	0	0	0	111.7	I94 F198 L199 P200	I94-Y196 HydrophobicContact CG2-CE1 4.25Å; Y196-F198 HydrophobicContact CD1-CZ 4.07Å; Y196-F198 PolarHBondContact O-N 3.38Å; Y196-F198 VanDerWaalsContact O-N 3.17Å; Y196-L199 HydrophobicContact CD1-CD2 4.28Å; Y196-L199 VanDerWaalsContact O-CB 3.22Å; Y196-L199 WeakPolarHBondContact O-CB 3.23Å; Y196-L199 PolarHBondContact O-N 2.82Å; Y196-P200 WeakPolarHBondContact O-CD 3.49Å
197	A	85.5	Confident	76	Confident	48 Å²	48	55.9 Å²	55.9	40%	0.397	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.3	-175.3	0	0	0	0	0	113.2	F151 I194 G195 L199 P200	F151-A197 HydrophobicContact CE1-CB 3.75Å; F151-A197 HydrophobicContact CZ-CB 3.97Å; I194-A197 WeakPolarHBondContact O-CB 3.18Å; I194-A197 PolarHBondContact O-N 2.96Å; G195-A197 PolarHBondContact O-N 3.15Å; A197-L199 VanDerWaalsContact C-N 3.32Å; A197-P200 WeakPolarHBondContact O-CD 3.31Å
198	F	89.1	Confident	78.3	Confident	12 Å²	12	55.4 Å²	55.4	5%	0.053	31%	0.312	C	S	.	.	H	α-helix	trans	-70.8	-25.3	171.9	62.3	-93.9	0	0	0	113.1	F92 I94 P147 F151 G195 Y196 V201 F202	F92-F198 HydrophobicContact CB-CD2 4.31Å; F92-F198 HydrophobicContact CB-CE1 4.28Å; F92-F198 HydrophobicContact CB-CE2 3.84Å; F92-F198 HydrophobicContact CB-CZ 3.83Å; F92-F198 HydrophobicContact CD1-CB 4.07Å; F92-F198 AromaticContact CD1-CD1 3.76Å; F92-F198 HydrophobicContact CD1-CD1 3.76Å; F92-F198 AromaticContact CD1-CD2 3.75Å; F92-F198 HydrophobicContact CD1-CD2 3.75Å; F92-F198 HydrophobicContact CD1-CE1 4.11Å; F92-F198 HydrophobicContact CD1-CE2 4.13Å; F92-F198 AromaticContact CD1-CG 3.57Å; F92-F198 HydrophobicContact CD1-CG 3.57Å; F92-F198 HydrophobicContact CD1-CZ 4.29Å; F92-F198 HydrophobicContact CE1-CB 3.93Å; F92-F198 HydrophobicContact CE1-CD1 4.4Å; F92-F198 HydrophobicContact CE1-CD2 4.32Å; F92-F198 AromaticContact CE1-CG 3.97Å; F92-F198 HydrophobicContact CE1-CG 3.97Å; F92-F198 HydrophobicContact CG-CD2 4.06Å; F92-F198 HydrophobicContact CG-CE2 4.1Å; F92-F198 HydrophobicContact CG-CG 4.33Å; F92-F198 HydrophobicContact CG-CZ 4.39Å; I94-F198 HydrophobicContact CD1-CE2 4.32Å; I94-F198 HydrophobicContact CG2-CE2 4.03Å; I94-F198 HydrophobicContact CG2-CZ 3.61Å; P147-F198 HydrophobicContact CB-CB 4.45Å; F151-F198 HydrophobicContact CD2-CB 3.82Å; F151-F198 HydrophobicContact CE2-CB 3.83Å; F151-F198 HydrophobicContact CG-CB 4.42Å; F151-F198 HydrophobicContact CZ-CB 4.4Å; G195-F198 VanDerWaalsContact O-CE1 3.29Å; G195-F198 WeakPolarHBondContact O-CE1 3.47Å; Y196-F198 HydrophobicContact CD1-CZ 4.07Å; Y196-F198 PolarHBondContact O-N 3.38Å; Y196-F198 VanDerWaalsContact O-N 3.17Å; F198-V201 WeakPolarHBondContact O-CB 3.39Å; F198-V201 PolarHBondContact O-N 3.35Å; F198-F202 HydrophobicContact CB-CD2 4.48Å; F198-F202 HydrophobicContact CB-CE2 4.28Å; F198-F202 AromaticContact CD2-CD2 3.83Å; F198-F202 HydrophobicContact CD2-CD2 3.83Å; F198-F202 AromaticContact CD2-CE2 3.83Å; F198-F202 HydrophobicContact CD2-CE2 3.83Å; F198-F202 HydrophobicContact CG-CE2 4.48Å; F198-F202 WeakPolarHBondContact O-CD2 3.46Å; F198-F202 PolarHBondContact O-N 3.22Å; F198-F202 VanDerWaalsContact O-N 3.16Å
199	L	92	Very high	80.5	Confident	37 Å²	37	53.2 Å²	53.2	19%	0.194	30%	0.297	C	S	.	.	H	α-helix	trans	-66.2	-46.3	-171.6	-177.1	66.8	0	0	0	112.7	V98 I102 Y196 A197 V201 F202 I203	V98-L199 HydrophobicContact CG1-CD1 3.74Å; I102-L199 HydrophobicContact CD1-CD1 3.64Å; I102-L199 HydrophobicContact CG1-CD1 3.65Å; Y196-L199 HydrophobicContact CD1-CD2 4.28Å; Y196-L199 VanDerWaalsContact O-CB 3.22Å; Y196-L199 WeakPolarHBondContact O-CB 3.23Å; Y196-L199 PolarHBondContact O-N 2.82Å; A197-L199 VanDerWaalsContact C-N 3.32Å; L199-V201 PolarHBondContact O-N 3.05Å; L199-F202 PolarHBondContact O-N 3.28Å; L199-I203 HydrophobicContact CD1-CD1 4.13Å; L199-I203 HydrophobicContact CD1-CG1 4.32Å; L199-I203 HydrophobicContact CD2-CD1 4.41Å; L199-I203 HydrophobicContact CG-CD1 3.8Å; L199-I203 HydrophobicContact CG-CG1 4.39Å; L199-I203 WeakPolarHBondContact O-CG1 3.49Å; L199-I203 PolarHBondContact O-N 3.35Å
200	P	94.8	Very high	82.8	Confident	83 Å²	83	49.1 Å²	49.1	54%	0.539	27%	0.268	S	S	.	.	H	α-helix	trans	-56.2	-35.1	172.4	-26.9	34.5	0	0	0	113.6	Y196 A197 F204	Y196-P200 WeakPolarHBondContact O-CD 3.49Å; A197-P200 WeakPolarHBondContact O-CD 3.31Å; P200-F204 VanDerWaalsContact O-CB 3.27Å; P200-F204 WeakPolarHBondContact O-CB 3.41Å; P200-F204 PolarHBondContact O-N 3.01Å
201	V	95.6	Very high	85.1	Confident	31 Å²	31	42.8 Å²	42.8	19%	0.188	24%	0.243	C	C	.	.	H	α-helix	trans	-66	-48	178.7	-175.7	0	0	0	0	110.4	L143 L146 P147 F151 F198 L199 F204 A205	L143-V201 HydrophobicContact CD1-CG1 3.89Å; L143-V201 HydrophobicContact CG-CG1 3.98Å; L146-V201 HydrophobicContact CD2-CG1 4.43Å; P147-V201 HydrophobicContact CG-CB 4.14Å; P147-V201 HydrophobicContact CG-CG1 3.77Å; F151-V201 HydrophobicContact CE2-CG2 4.33Å; F198-V201 WeakPolarHBondContact O-CB 3.39Å; F198-V201 PolarHBondContact O-N 3.35Å; L199-V201 PolarHBondContact O-N 3.05Å; V201-F204 PolarHBondContact O-N 3.44Å; V201-A205 VanDerWaalsContact O-CB 3.23Å; V201-A205 WeakPolarHBondContact O-CB 3.49Å; V201-A205 PolarHBondContact O-N 3.49Å
202	F	96.5	Very high	87.4	Confident	5 Å²	5	41.2 Å²	41.2	2%	0.022	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-41.9	175.9	-74.9	-62.1	0	0	0	112.8	L88 F92 I102 W144 P147 F198 L199 A205 Q206 W285	L88-F202 HydrophobicContact CD2-CE1 4.45Å; L88-F202 HydrophobicContact CD2-CZ 4.13Å; F92-F202 HydrophobicContact CD2-CE2 4.04Å; F92-F202 HydrophobicContact CD2-CZ 4.21Å; F92-F202 HydrophobicContact CE1-CE2 4.19Å; F92-F202 AromaticContact CE2-CE2 3.68Å; F92-F202 HydrophobicContact CE2-CE2 3.68Å; F92-F202 AromaticContact CE2-CZ 3.5Å; F92-F202 HydrophobicContact CE2-CZ 3.5Å; F92-F202 VanDerWaalsContact CE2-CZ 3.5Å; F92-F202 HydrophobicContact CG-CE2 4.46Å; F92-F202 AromaticContact CZ-CE2 3.76Å; F92-F202 HydrophobicContact CZ-CE2 3.76Å; F92-F202 AromaticContact CZ-CZ 3.72Å; F92-F202 HydrophobicContact CZ-CZ 3.72Å; I102-F202 HydrophobicContact CD1-CB 4.12Å; I102-F202 HydrophobicContact CD1-CG 4.49Å; I102-F202 HydrophobicContact CG1-CB 4.31Å; I102-F202 HydrophobicContact CG2-CB 3.95Å; W144-F202 AromaticContact CD1-CD1 3.74Å; W144-F202 AromaticContact CD1-CE1 3.47Å; W144-F202 VanDerWaalsContact CD1-CE1 3.47Å; W144-F202 HydrophobicContact CD2-CD1 4.32Å; W144-F202 HydrophobicContact CG-CD1 4.11Å; W144-F202 HydrophobicContact CG-CE1 4.23Å; W144-F202 AromaticContact NE1-CD1 3.57Å; W144-F202 AromaticContact NE1-CE1 3.42Å; W144-F202 WeakPolarHBondContact O-CE1 3.48Å; P147-F202 HydrophobicContact CB-CE2 4Å; P147-F202 HydrophobicContact CB-CZ 3.81Å; P147-F202 HydrophobicContact CG-CD1 4.47Å; P147-F202 HydrophobicContact CG-CD2 4.37Å; P147-F202 HydrophobicContact CG-CE1 4Å; P147-F202 HydrophobicContact CG-CE2 3.92Å; P147-F202 HydrophobicContact CG-CZ 3.72Å; F198-F202 HydrophobicContact CB-CD2 4.48Å; F198-F202 HydrophobicContact CB-CE2 4.28Å; F198-F202 AromaticContact CD2-CD2 3.83Å; F198-F202 HydrophobicContact CD2-CD2 3.83Å; F198-F202 AromaticContact CD2-CE2 3.83Å; F198-F202 HydrophobicContact CD2-CE2 3.83Å; F198-F202 HydrophobicContact CG-CE2 4.48Å; F198-F202 WeakPolarHBondContact O-CD2 3.46Å; F198-F202 PolarHBondContact O-N 3.22Å; F198-F202 VanDerWaalsContact O-N 3.16Å; L199-F202 PolarHBondContact O-N 3.28Å; F202-A205 PolarHBondContact O-N 2.95Å; F202-Q206 WeakPolarHBondContact O-CB 3.26Å; F202-Q206 VanDerWaalsContact O-CG 3.29Å; F202-Q206 WeakPolarHBondContact O-CG 3.39Å; F202-Q206 PolarHBondContact O-N 3.48Å; F202-W285 HydrophobicContact CE1-CH2 4.44Å; F202-W285 HydrophobicContact CE1-CZ3 4.17Å; F202-W285 HydrophobicContact CZ-CH2 4.06Å; F202-W285 HydrophobicContact CZ-CZ3 4.21Å
203	I	96.9	Very high	89.7	Confident	48 Å²	48	38.9 Å²	38.9	25%	0.246	22%	0.216	C	C	.	.	H	α-helix	trans	-61.1	-47.1	177.6	-71.5	171.6	0	0	0	110.3	C105 L199 Q206 L207	C105-I203 HydrophobicContact CB-CG2 4.44Å; L199-I203 HydrophobicContact CD1-CD1 4.13Å; L199-I203 HydrophobicContact CD1-CG1 4.32Å; L199-I203 HydrophobicContact CD2-CD1 4.41Å; L199-I203 HydrophobicContact CG-CD1 3.8Å; L199-I203 HydrophobicContact CG-CG1 4.39Å; L199-I203 WeakPolarHBondContact O-CG1 3.49Å; L199-I203 PolarHBondContact O-N 3.35Å; I203-Q206 PolarHBondContact O-N 2.87Å; I203-L207 HydrophobicContact CG2-CD1 4.08Å; I203-L207 VanDerWaalsContact O-CG 3.31Å; I203-L207 WeakPolarHBondContact O-CG 3.16Å; I203-L207 PolarHBondContact O-N 2.87Å
204	F	97.6	Very high	91.8	Very high	115 Å²	115	33.6 Å²	33.6	50%	0.504	18%	0.183	S	C	.	.	H	α-helix	trans	-68.6	-40.3	180	-170.1	-123.9	0	0	0	111.9	L143 P200 V201 Q206 L207 L208	L143-F204 HydrophobicContact CD2-CB 4.4Å; L143-F204 HydrophobicContact CD2-CD1 3.47Å; L143-F204 VanDerWaalsContact CD2-CD1 3.47Å; L143-F204 HydrophobicContact CD2-CE1 4.17Å; L143-F204 HydrophobicContact CD2-CG 4.33Å; P200-F204 VanDerWaalsContact O-CB 3.27Å; P200-F204 WeakPolarHBondContact O-CB 3.41Å; P200-F204 PolarHBondContact O-N 3.01Å; V201-F204 PolarHBondContact O-N 3.44Å; F204-Q206 VanDerWaalsContact C-N 3.34Å; F204-Q206 PolarHBondContact O-N 3.33Å; F204-L207 PolarHBondContact O-N 3.1Å; F204-L208 HydrophobicContact CD1-CD1 4.13Å; F204-L208 HydrophobicContact CE1-CD1 3.8Å; F204-L208 HydrophobicContact CE1-CG 4.34Å; F204-L208 HydrophobicContact CE2-CD2 4.4Å; F204-L208 HydrophobicContact CE2-CG 4.43Å; F204-L208 HydrophobicContact CZ-CD1 4.13Å; F204-L208 HydrophobicContact CZ-CD2 4.14Å; F204-L208 HydrophobicContact CZ-CG 4.24Å; F204-L208 WeakPolarHBondContact O-CG 3.22Å; F204-L208 PolarHBondContact O-N 3.21Å
205	A	98	Very high	93.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-56.6	-47.3	172.4	0	0	0	0	0	111.6	G140 L143 W144 V201 F202 L207 L208 I209	G140-A205 WeakPolarHBondContact O-CB 3.37Å; L143-A205 HydrophobicContact CB-CB 4.08Å; L143-A205 HydrophobicContact CD2-CB 4.18Å; L143-A205 HydrophobicContact CG-CB 4.09Å; W144-A205 HydrophobicContact CB-CB 4.02Å; W144-A205 HydrophobicContact CE3-CB 4.42Å; V201-A205 VanDerWaalsContact O-CB 3.23Å; V201-A205 WeakPolarHBondContact O-CB 3.49Å; V201-A205 PolarHBondContact O-N 3.49Å; F202-A205 PolarHBondContact O-N 2.95Å; A205-L207 PolarHBondContact O-N 2.98Å; A205-L208 PolarHBondContact O-N 3.46Å; A205-I209 WeakPolarHBondContact O-CG1 3.13Å; A205-I209 PolarHBondContact O-N 3.39Å
206	Q	96.9	Very high	94.3	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.028	16%	0.16	C	C	.	.	H	α-helix	trans	-62.2	-42.7	177.3	-79.6	-80.1	38.8	0	0	113.2	I102 N103 C105 F106 W144 F202 I203 F204 L208 I209 G210	I102-Q206 HydrophobicContact CG2-CG 3.76Å; I102-Q206 VanDerWaalsContact O-CG 3.26Å; I102-Q206 WeakPolarHBondContact O-CG 3.31Å; I102-Q206 PolarHBondContact O-NE2 3.2Å; N103-Q206 PolarHBondContact OD1-NE2 2.94Å; C105-Q206 HydrophobicContact CB-CB 3.87Å; F106-Q206 WeakPolarHBondContact CA-O 3.26Å; W144-Q206 HydrophobicContact CE3-CG 3.95Å; W144-Q206 HydrophobicContact CH2-CG 3.87Å; W144-Q206 HydrophobicContact CZ3-CG 3.52Å; F202-Q206 WeakPolarHBondContact O-CB 3.26Å; F202-Q206 VanDerWaalsContact O-CG 3.29Å; F202-Q206 WeakPolarHBondContact O-CG 3.39Å; F202-Q206 PolarHBondContact O-N 3.48Å; I203-Q206 PolarHBondContact O-N 2.87Å; F204-Q206 VanDerWaalsContact C-N 3.34Å; F204-Q206 PolarHBondContact O-N 3.33Å; Q206-L208 VanDerWaalsContact C-N 3.31Å; Q206-L208 PolarHBondContact O-N 3.3Å; Q206-I209 PolarHBondContact O-N 2.86Å; Q206-G210 PolarHBondContact O-N 3.27Å
207	L	97.3	Very high	94.5	Very high	52 Å²	52	25.5 Å²	25.5	27%	0.272	15%	0.145	S	C	.	.	H	α-helix	trans	-59.4	-42.3	174.7	-73.4	168.1	0	0	0	111.4	C105 V108 I203 F204 A205 A211	C105-L207 HydrophobicContact CB-CG 4.39Å; C105-L207 WeakPolarHBondContact O-CD2 3.32Å; V108-L207 HydrophobicContact CB-CD2 3.93Å; V108-L207 HydrophobicContact CG1-CD2 3.85Å; I203-L207 HydrophobicContact CG2-CD1 4.08Å; I203-L207 VanDerWaalsContact O-CG 3.31Å; I203-L207 WeakPolarHBondContact O-CG 3.16Å; I203-L207 PolarHBondContact O-N 2.87Å; F204-L207 PolarHBondContact O-N 3.1Å; A205-L207 PolarHBondContact O-N 2.98Å; L207-A211 WeakPolarHBondContact O-CB 3.49Å; L207-A211 PolarHBondContact O-N 2.95Å
208	L	97.7	Very high	94.6	Very high	39 Å²	39	24.7 Å²	24.7	20%	0.204	14%	0.135	C	C	.	.	H	α-helix	trans	-67.4	-45.1	177.7	-68.5	175.7	0	0	0	112.2	I136 L143 F204 A205 Q206 G210 A211 G212	I136-L208 HydrophobicContact CG2-CB 4.26Å; I136-L208 HydrophobicContact CG2-CD2 3.92Å; L143-L208 HydrophobicContact CD2-CD1 4.11Å; F204-L208 HydrophobicContact CD1-CD1 4.13Å; F204-L208 HydrophobicContact CE1-CD1 3.8Å; F204-L208 HydrophobicContact CE1-CG 4.34Å; F204-L208 HydrophobicContact CE2-CD2 4.4Å; F204-L208 HydrophobicContact CE2-CG 4.43Å; F204-L208 HydrophobicContact CZ-CD1 4.13Å; F204-L208 HydrophobicContact CZ-CD2 4.14Å; F204-L208 HydrophobicContact CZ-CG 4.24Å; F204-L208 WeakPolarHBondContact O-CG 3.22Å; F204-L208 PolarHBondContact O-N 3.21Å; A205-L208 PolarHBondContact O-N 3.46Å; Q206-L208 VanDerWaalsContact C-N 3.31Å; Q206-L208 PolarHBondContact O-N 3.3Å; L208-G210 VanDerWaalsContact C-N 3.34Å; L208-G210 PolarHBondContact O-N 3.37Å; L208-A211 PolarHBondContact O-N 3.35Å; L208-G212 PolarHBondContact O-N 3.36Å
209	I	97.5	Very high	94.6	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-62.6	-44.2	177	-63.6	177.9	0	0	0	110.2	F77 F106 M137 W144 A205 Q206 S213	F77-I209 HydrophobicContact CD1-CD1 4.32Å; F77-I209 HydrophobicContact CE1-CD1 4.4Å; F106-I209 HydrophobicContact CD2-CB 4.39Å; F106-I209 HydrophobicContact CD2-CG2 3.98Å; F106-I209 HydrophobicContact CE2-CG2 3.89Å; M137-I209 HydrophobicContact CE-CG2 4.14Å; M137-I209 HydrophobicContact CG-CG2 4.08Å; W144-I209 HydrophobicContact CE3-CD1 3.45Å; W144-I209 VanDerWaalsContact CE3-CD1 3.45Å; W144-I209 HydrophobicContact CZ3-CD1 3.8Å; A205-I209 WeakPolarHBondContact O-CG1 3.13Å; A205-I209 PolarHBondContact O-N 3.39Å; Q206-I209 PolarHBondContact O-N 2.86Å; I209-S213 VanDerWaalsContact O-CB 3.3Å; I209-S213 WeakPolarHBondContact O-CB 3.41Å; I209-S213 PolarHBondContact O-N 2.85Å; I209-S213 PolarHBondContact O-OG 3.29Å
210	G	96.3	Very high	94.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-57.8	-54.6	174.2	0	0	0	0	0	112.5	F106 Y110 Q206 L208 G212 S213	F106-G210 VanDerWaalsContact CD2-CA 3.43Å; F106-G210 VanDerWaalsContact O-CA 3.25Å; F106-G210 WeakPolarHBondContact O-CA 3.43Å; Y110-G210 WeakPolarHBondContact CA-O 3.49Å; Q206-G210 PolarHBondContact O-N 3.27Å; L208-G210 VanDerWaalsContact C-N 3.34Å; L208-G210 PolarHBondContact O-N 3.37Å; G210-G212 VanDerWaalsContact C-N 3.33Å; G210-G212 PolarHBondContact O-N 2.95Å; G210-S213 PolarHBondContact O-N 3.42Å; G210-S213 PolarHBondContact O-OG 3.37Å
211	A	96.1	Very high	94.2	Very high	26 Å²	26	19.4 Å²	19.4	22%	0.215	10%	0.104	C	C	.	.	H	α-helix	trans	-63	-39.2	-179.1	0	0	0	0	0	112.7	G109 S113 L207 L208 S214	G109-A211 WeakPolarHBondContact O-CA 3.4Å; S113-A211 WeakPolarHBondContact CB-O 3.32Å; S113-A211 PolarHBondContact OG-O 3.1Å; L207-A211 WeakPolarHBondContact O-CB 3.49Å; L207-A211 PolarHBondContact O-N 2.95Å; L208-A211 PolarHBondContact O-N 3.35Å; A211-S214 PolarHBondContact O-OG 3.47Å
212	G	96.5	Very high	93.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-74.6	-26.6	-180	0	0	0	0	0	114.4	G133 L208 G210 S214 P215	G133-G212 CarbonylContact C-O 3.47Å; G133-G212 WeakPolarHBondContact CA-O 3.5Å; G133-G212 CarbonylContact O-C 3.6Å; G133-G212 WeakPolarHBondContact O-CA 3.47Å; G133-G212 VanDerWaalsContact O-O 3.12Å; L208-G212 PolarHBondContact O-N 3.36Å; G210-G212 VanDerWaalsContact C-N 3.33Å; G210-G212 PolarHBondContact O-N 2.95Å; G212-S214 VanDerWaalsContact C-N 3.33Å; G212-P215 VanDerWaalsContact O-CD 3.25Å; G212-P215 WeakPolarHBondContact O-CD 3.36Å
213	S	94.6	Very high	93.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-77.8	-14.5	175.7	70.4	0	0	0	0	114	F106 Y110 I209 G210 I216	F106-S213 WeakPolarHBondContact CZ-OG 3.37Å; Y110-S213 WeakPolarHBondContact CD2-OG 3.3Å; I209-S213 VanDerWaalsContact O-CB 3.3Å; I209-S213 WeakPolarHBondContact O-CB 3.41Å; I209-S213 PolarHBondContact O-N 2.85Å; I209-S213 PolarHBondContact O-OG 3.29Å; G210-S213 PolarHBondContact O-N 3.42Å; G210-S213 PolarHBondContact O-OG 3.37Å; S213-I216 WeakPolarHBondContact O-CG2 3.46Å
214	S	92.6	Very high	92.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.4	-44.6	-176.7	93.5	0	0	0	0	114.8	S113 A211 G212 I216 L217 T218	S113-S214 WeakPolarHBondContact CB-OG 3.42Å; S113-S214 PolarHBondContact OG-OG 3.29Å; A211-S214 PolarHBondContact O-OG 3.47Å; G212-S214 VanDerWaalsContact C-N 3.33Å; S214-I216 PolarHBondContact O-N 3.47Å; S214-L217 PolarHBondContact O-N 3.47Å; S214-T218 WeakPolarHBondContact O-CB 3.29Å; S214-T218 VanDerWaalsContact O-CG2 3.24Å; S214-T218 WeakPolarHBondContact O-CG2 3.41Å; S214-T218 PolarHBondContact O-N 2.69Å; S214-T218 PolarHBondContact O-OG1 3.48Å
215	P	92.7	Very high	92.1	Very high	3 Å²	3	15.3 Å²	15.3	2%	0.019	9%	0.09	C	C	.	.	H	α-helix	trans	-67.9	-36.8	-171.4	-23.8	37.3	0	0	0	113.6	V117 I130 G212 L217 T218 L219	V117-P215 HydrophobicContact CG1-CB 3.91Å; V117-P215 HydrophobicContact CG1-CG 3.97Å; V117-P215 HydrophobicContact CG2-CG 4.03Å; I130-P215 HydrophobicContact CG1-CB 4.5Å; G212-P215 VanDerWaalsContact O-CD 3.25Å; G212-P215 WeakPolarHBondContact O-CD 3.36Å; P215-L217 PolarHBondContact O-N 2.9Å; P215-T218 WeakPolarHBondContact CA-OG1 3.45Å; P215-T218 PolarHBondContact O-N 3.14Å; P215-T218 PolarHBondContact O-OG1 3.18Å; P215-L219 HydrophobicContact CB-CD1 4.12Å; P215-L219 VanDerWaalsContact O-CB 3.26Å; P215-L219 WeakPolarHBondContact O-CB 2.96Å; P215-L219 WeakPolarHBondContact O-CG 3.37Å; P215-L219 PolarHBondContact O-N 3.4Å
216	I	92.6	Very high	91.5	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-65.1	-42.8	-178.3	-169.8	168.4	0	0	0	111.6	I70 S71 Q74 I130 L134 S213 S214 T218 T220	I70-I216 HydrophobicContact CB-CD1 3.75Å; I70-I216 HydrophobicContact CG2-CD1 3.39Å; S71-I216 WeakPolarHBondContact OG-CD1 3.35Å; Q74-I216 HydrophobicContact CG-CG2 4.39Å; I130-I216 HydrophobicContact CG2-CB 3.98Å; I130-I216 HydrophobicContact CG2-CG1 4.15Å; L134-I216 HydrophobicContact CD2-CD1 4.4Å; S213-I216 WeakPolarHBondContact O-CG2 3.46Å; S214-I216 PolarHBondContact O-N 3.47Å; I216-T218 VanDerWaalsContact C-N 3.34Å; I216-T218 PolarHBondContact O-N 2.71Å; I216-T220 WeakPolarHBondContact O-CB 3.19Å; I216-T220 PolarHBondContact O-N 3.22Å; I216-T220 PolarHBondContact O-OG1 3.33Å
217	L	87.2	Confident	90.9	Very high	27 Å²	27	22.4 Å²	22.4	14%	0.141	13%	0.127	C	C	.	.	H	α-helix	trans	-75.5	-24.1	-179.2	-65.7	-179.4	0	0	0	113.1	Y110 S214 P215 P221	Y110-L217 HydrophobicContact CE2-CD1 4.24Å; S214-L217 PolarHBondContact O-N 3.47Å; P215-L217 PolarHBondContact O-N 2.9Å; L217-P221 WeakPolarHBondContact O-CD 3.28Å; L217-P221 WeakPolarHBondContact O-CG 3.3Å
218	T	86.9	Confident	90.3	Very high	31 Å²	31	20.4 Å²	20.4	19%	0.19	12%	0.117	C	C	.	.	H	α-helix	trans	-100.1	-36.1	-172	56.2	0	0	0	0	112.9	Y110 V114 S214 P215 I216 P222	Y110-T218 WeakPolarHBondContact OH-CG2 3.41Å; V114-T218 HydrophobicContact CB-CG2 4.41Å; V114-T218 HydrophobicContact CG2-CG2 3.41Å; V114-T218 VanDerWaalsContact CG2-CG2 3.41Å; S214-T218 WeakPolarHBondContact O-CB 3.29Å; S214-T218 VanDerWaalsContact O-CG2 3.24Å; S214-T218 WeakPolarHBondContact O-CG2 3.41Å; S214-T218 PolarHBondContact O-N 2.69Å; S214-T218 PolarHBondContact O-OG1 3.48Å; P215-T218 WeakPolarHBondContact CA-OG1 3.45Å; P215-T218 PolarHBondContact O-N 3.14Å; P215-T218 PolarHBondContact O-OG1 3.18Å; I216-T218 VanDerWaalsContact C-N 3.34Å; I216-T218 PolarHBondContact O-N 2.71Å; T218-P222 VanDerWaalsContact O-CD 3.31Å; T218-P222 WeakPolarHBondContact O-CD 3.32Å; T218-P222 WeakPolarHBondContact O-CG 3.39Å
219	L	89.8	Confident	89.5	Confident	8 Å²	8	21.3 Å²	21.3	4%	0.042	13%	0.125	C	C	.	.	H	α-helix	trans	-95	-28.2	-177.3	-57.1	178.5	0	0	0	113.2	V117 V126 W129 I130 P215 P222 F223	V117-L219 HydrophobicContact CG1-CD1 3.83Å; V117-L219 HydrophobicContact CG1-CD2 4.24Å; V117-L219 HydrophobicContact CG1-CG 3.98Å; V126-L219 HydrophobicContact CG1-CB 3.76Å; V126-L219 HydrophobicContact CG1-CD1 4.48Å; W129-L219 HydrophobicContact CB-CD1 3.78Å; I130-L219 HydrophobicContact CD1-CB 4.3Å; I130-L219 HydrophobicContact CG1-CB 4.21Å; I130-L219 HydrophobicContact CG1-CD1 4.35Å; P215-L219 HydrophobicContact CB-CD1 4.12Å; P215-L219 VanDerWaalsContact O-CB 3.26Å; P215-L219 WeakPolarHBondContact O-CB 2.96Å; P215-L219 WeakPolarHBondContact O-CG 3.37Å; P215-L219 PolarHBondContact O-N 3.4Å; L219-P222 WeakPolarHBondContact O-CD 3.22Å; L219-P222 WeakPolarHBondContact O-CG 3.47Å; L219-F223 WeakPolarHBondContact O-CB 3.48Å; L219-F223 PolarHBondContact O-N 3.29Å; L219-F223 VanDerWaalsContact O-N 3.14Å
220	T	90.4	Very high	88.5	Confident	1 Å²	1	22.9 Å²	22.9	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-66.5	-48.1	-176.8	-52	0	0	0	0	113	F63 A67 I130 I216 F223 I224 L240	F63-T220 HydrophobicContact CE1-CG2 3.94Å; F63-T220 HydrophobicContact CZ-CG2 4.19Å; A67-T220 HydrophobicContact CB-CG2 3.78Å; I130-T220 WeakPolarHBondContact CD1-OG1 3.49Å; I216-T220 WeakPolarHBondContact O-CB 3.19Å; I216-T220 PolarHBondContact O-N 3.22Å; I216-T220 PolarHBondContact O-OG1 3.33Å; T220-F223 PolarHBondContact O-N 2.97Å; T220-I224 HydrophobicContact CG2-CD1 3.75Å; T220-I224 HydrophobicContact CG2-CG1 4.29Å; T220-I224 WeakPolarHBondContact O-CG1 3.38Å; T220-I224 PolarHBondContact O-N 3.35Å; T220-L240 HydrophobicContact CG2-CD1 4.2Å; T220-L240 HydrophobicContact CG2-CD2 3.56Å
221	P	88.4	Confident	87.8	Confident	13 Å²	13	27 Å²	27	8%	0.084	17%	0.165	C	C	.	.	H	α-helix	trans	-57	-50.8	179.7	-22.1	31.9	0	0	0	114.6	L217 F223 I224 D225 I237 L240 Y241	L217-P221 WeakPolarHBondContact O-CD 3.28Å; L217-P221 WeakPolarHBondContact O-CG 3.3Å; P221-F223 VanDerWaalsContact C-N 3.32Å; P221-F223 PolarHBondContact O-N 3.37Å; P221-I224 PolarHBondContact O-N 3.38Å; P221-D225 PolarHBondContact O-N 2.79Å; P221-D225 VanDerWaalsContact O-N 3.07Å; P221-I237 HydrophobicContact CB-CG2 4.16Å; P221-L240 HydrophobicContact CG-CD2 4.04Å; P221-Y241 HydrophobicContact CG-CE2 4.48Å; P221-Y241 WeakPolarHBondContact CG-OH 3.35Å
222	P	84.9	Confident	87.2	Confident	63 Å²	63	31.2 Å²	31.2	41%	0.409	18%	0.178	S	C	.	.	H	α-helix	trans	-66.8	-33.9	177.4	25.7	-33	0	0	0	112.2	T218 L219 I224 D225 D226	T218-P222 VanDerWaalsContact O-CD 3.31Å; T218-P222 WeakPolarHBondContact O-CD 3.32Å; T218-P222 WeakPolarHBondContact O-CG 3.39Å; L219-P222 WeakPolarHBondContact O-CD 3.22Å; L219-P222 WeakPolarHBondContact O-CG 3.47Å; P222-I224 VanDerWaalsContact C-N 3.32Å; P222-I224 PolarHBondContact O-N 2.73Å; P222-D225 PolarHBondContact O-N 3.43Å; P222-D225 VanDerWaalsContact O-N 3.15Å; P222-D226 PolarHBondContact O-N 3.24Å
223	F	87.1	Confident	86.5	Confident	10 Å²	10	31.2 Å²	31.2	4%	0.044	18%	0.178	C	C	.	.	H	α-helix	trans	-64.5	-36	176.6	-177.6	-106.7	0	0	0	112.7	F63 V126 P127 L219 T220 P221 H227 L310	F63-F223 HydrophobicContact CD1-CD1 4.2Å; F63-F223 HydrophobicContact CD1-CE1 4.05Å; F63-F223 HydrophobicContact CD2-CE1 4.23Å; F63-F223 AromaticContact CE1-CD1 3.46Å; F63-F223 HydrophobicContact CE1-CD1 3.46Å; F63-F223 VanDerWaalsContact CE1-CD1 3.46Å; F63-F223 AromaticContact CE1-CE1 3.67Å; F63-F223 HydrophobicContact CE1-CE1 3.67Å; F63-F223 HydrophobicContact CE2-CD1 4.24Å; F63-F223 AromaticContact CE2-CE1 3.85Å; F63-F223 HydrophobicContact CE2-CE1 3.85Å; F63-F223 HydrophobicContact CG-CE1 4.33Å; F63-F223 AromaticContact CZ-CD1 3.49Å; F63-F223 HydrophobicContact CZ-CD1 3.49Å; F63-F223 VanDerWaalsContact CZ-CD1 3.49Å; F63-F223 AromaticContact CZ-CE1 3.56Å; F63-F223 HydrophobicContact CZ-CE1 3.56Å; V126-F223 HydrophobicContact CB-CD2 3.63Å; V126-F223 HydrophobicContact CB-CE2 3.96Å; V126-F223 HydrophobicContact CB-CG 4.14Å; V126-F223 HydrophobicContact CG1-CB 3.85Å; V126-F223 HydrophobicContact CG1-CD1 4.38Å; V126-F223 HydrophobicContact CG1-CD2 3.81Å; V126-F223 HydrophobicContact CG1-CE2 4.43Å; V126-F223 HydrophobicContact CG1-CG 3.78Å; V126-F223 HydrophobicContact CG2-CD2 3.91Å; V126-F223 HydrophobicContact CG2-CE2 4.49Å; P127-F223 HydrophobicContact CG-CE1 4.19Å; P127-F223 HydrophobicContact CG-CZ 3.84Å; L219-F223 WeakPolarHBondContact O-CB 3.48Å; L219-F223 PolarHBondContact O-N 3.29Å; L219-F223 VanDerWaalsContact O-N 3.14Å; T220-F223 PolarHBondContact O-N 2.97Å; P221-F223 VanDerWaalsContact C-N 3.32Å; P221-F223 PolarHBondContact O-N 3.37Å; F223-H227 AromaticContact CD2-CE1 3.47Å; F223-H227 VanDerWaalsContact CD2-CE1 3.47Å; F223-H227 WeakPolarHBondContact CD2-CE1 3.42Å; F223-H227 AromaticContact CD2-ND1 3.74Å; F223-H227 AromaticContact CE2-CE1 3.18Å; F223-H227 WeakPolarHBondContact CE2-CE1 3.43Å; F223-H227 AromaticContact CE2-ND1 3.74Å; F223-H227 AromaticContact CE2-NE2 3.98Å; F223-H227 AromaticContact CZ-CE1 3.8Å; F223-H227 PolarHBondContact O-N 2.98Å; F223-H227 PolarHBondContact O-ND1 3.3Å; F223-L310 HydrophobicContact CD1-CD1 4.2Å; F223-L310 HydrophobicContact CE1-CD1 3.27Å; F223-L310 HydrophobicContact CE1-CG 4.19Å; F223-L310 HydrophobicContact CZ-CD1 3.56Å; F223-L310 HydrophobicContact CZ-CG 4.08Å
224	I	87.3	Confident	85.8	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-67	-44.7	171	-66.4	164.6	0	0	0	110.2	F63 L64 T220 P221 P222 D226 H227 V228 M236 I237 L240	F63-I224 HydrophobicContact CE1-CG1 4.31Å; L64-I224 HydrophobicContact CD1-CD1 3.65Å; T220-I224 HydrophobicContact CG2-CD1 3.75Å; T220-I224 HydrophobicContact CG2-CG1 4.29Å; T220-I224 WeakPolarHBondContact O-CG1 3.38Å; T220-I224 PolarHBondContact O-N 3.35Å; P221-I224 PolarHBondContact O-N 3.38Å; P222-I224 VanDerWaalsContact C-N 3.32Å; P222-I224 PolarHBondContact O-N 2.73Å; I224-D226 VanDerWaalsContact C-N 3.27Å; I224-D226 PolarHBondContact O-N 2.99Å; I224-H227 PolarHBondContact O-N 3.45Å; I224-V228 HydrophobicContact CG2-CG2 3.98Å; I224-V228 VanDerWaalsContact O-CB 3.32Å; I224-V228 WeakPolarHBondContact O-CB 3.31Å; I224-V228 WeakPolarHBondContact O-CG2 3.38Å; I224-V228 PolarHBondContact O-N 3.47Å; I224-M236 HydrophobicContact CG2-CB 3.88Å; I224-M236 HydrophobicContact CG2-SD 4.5Å; I224-I237 HydrophobicContact CB-CG1 4.21Å; I224-I237 HydrophobicContact CG2-CG1 4.03Å; I224-L240 HydrophobicContact CD1-CD2 4.28Å
225	D	83.2	Confident	85.4	Confident	39 Å²	39	36.2 Å²	36.2	21%	0.209	21%	0.211	C	C	.	.	H	α-helix	trans	-59.4	-38	179.9	-162.2	60.3	0	0	0	112.7	P221 P222 H227 A233 I237 F373	P221-D225 PolarHBondContact O-N 2.79Å; P221-D225 VanDerWaalsContact O-N 3.07Å; P222-D225 PolarHBondContact O-N 3.43Å; P222-D225 VanDerWaalsContact O-N 3.15Å; D225-H227 VanDerWaalsContact C-N 3.35Å; D225-H227 PolarHBondContact O-N 2.85Å; D225-A233 VanDerWaalsContact OD1-CB 3.25Å; D225-A233 WeakPolarHBondContact OD1-CB 3.5Å; D225-I237 HydrophobicContact CB-CD1 4.17Å; D225-F373 VanDerWaalsContact OD1-CZ 3.3Å; D225-F373 WeakPolarHBondContact OD1-CZ 3.32Å
226	D	84.9	Confident	85.2	Confident	125 Å²	125	37.1 Å²	37.1	67%	0.668	22%	0.215	S	C	*	.	H	α-helix	trans	-72.7	-23.8	-179.1	-73.7	-21.8	0	0	0	113.8	P222 I224	P222-D226 PolarHBondContact O-N 3.24Å; I224-D226 VanDerWaalsContact C-N 3.27Å; I224-D226 PolarHBondContact O-N 2.99Å
227	H	85.3	Confident	84.9	Confident	31 Å²	31	38.6 Å²	38.6	14%	0.144	22%	0.222	C	C	.	.	H	α-helix	trans	-107.9	3.6	-175.8	-66.4	87.7	0	0	0	113.8	L60 F223 I224 D225 L310	L60-H227 HydrophobicContact CD1-CB 4.23Å; F223-H227 AromaticContact CD2-CE1 3.47Å; F223-H227 VanDerWaalsContact CD2-CE1 3.47Å; F223-H227 WeakPolarHBondContact CD2-CE1 3.42Å; F223-H227 AromaticContact CD2-ND1 3.74Å; F223-H227 AromaticContact CE2-CE1 3.18Å; F223-H227 WeakPolarHBondContact CE2-CE1 3.43Å; F223-H227 AromaticContact CE2-ND1 3.74Å; F223-H227 AromaticContact CE2-NE2 3.98Å; F223-H227 AromaticContact CZ-CE1 3.8Å; F223-H227 PolarHBondContact O-N 2.98Å; F223-H227 PolarHBondContact O-ND1 3.3Å; I224-H227 PolarHBondContact O-N 3.45Å; D225-H227 VanDerWaalsContact C-N 3.35Å; D225-H227 PolarHBondContact O-N 2.85Å; H227-L310 HydrophobicContact CB-CD1 4.45Å
228	V	83.8	Confident	84.7	Confident	10 Å²	10	39.7 Å²	39.7	6%	0.061	24%	0.236	C	C	.	.	S	Bend	trans	-126	139.7	-175.3	-177.1	0	0	0	0	110.1	L60 I224 S230 K232 A233 M236	L60-V228 HydrophobicContact CD1-CG2 3.91Å; L60-V228 HydrophobicContact CD2-CG2 3.26Å; L60-V228 HydrophobicContact CG-CG2 4.15Å; I224-V228 HydrophobicContact CG2-CG2 3.98Å; I224-V228 VanDerWaalsContact O-CB 3.32Å; I224-V228 WeakPolarHBondContact O-CB 3.31Å; I224-V228 WeakPolarHBondContact O-CG2 3.38Å; I224-V228 PolarHBondContact O-N 3.47Å; V228-S230 PolarHBondContact O-N 3.22Å; V228-K232 HydrophobicContact CG1-CB 3.54Å; V228-A233 HydrophobicContact CB-CB 4.06Å; V228-A233 HydrophobicContact CG1-CB 4.12Å; V228-M236 HydrophobicContact CB-SD 4.45Å; V228-M236 HydrophobicContact CG1-CE 4.23Å; V228-M236 HydrophobicContact CG1-SD 3.81Å; V228-M236 HydrophobicContact CG2-SD 3.73Å
229	P	80.5	Confident	84.8	Confident	57 Å²	57	40.4 Å²	40.4	37%	0.37	24%	0.242	S	C	.	.			trans	-52.6	138.3	169.5	-25.4	33.7	0	0	0	110.7	S231 K232 A233	P229-S231 PolarHBondContact O-N 2.93Å; P229-K232 PolarHBondContact O-N 3.49Å; P229-A233 PolarHBondContact O-N 2.95Å; P229-A233 VanDerWaalsContact O-N 3.15Å
230	S	77.1	Confident	84.9	Confident	36 Å²	36	40.1 Å²	40.1	25%	0.252	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-30.8	-173.4	58.3	0	0	0	0	113.4	V228 K232 P234 F373	V228-S230 PolarHBondContact O-N 3.22Å; S230-K232 VanDerWaalsContact C-N 3.3Å; S230-K232 PolarHBondContact O-N 2.8Å; S230-P234 WeakPolarHBondContact O-CD 3.47Å; S230-F373 VanDerWaalsContact CB-CE1 3.43Å; S230-F373 WeakPolarHBondContact O-CD1 3.22Å; S230-F373 WeakPolarHBondContact O-CE1 3.11Å
231	S	81.1	Confident	84.8	Confident	86 Å²	86	46 Å²	46	60%	0.601	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-27	175.3	57.8	0	0	0	0	114.9	P229	P229-S231 PolarHBondContact O-N 2.93Å
232	K	83.4	Confident	84.8	Confident	115 Å²	115	48.3 Å²	48.3	50%	0.5	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-15.3	-176.6	-66.9	-174.5	-178.9	-178.5	0	113.5	V228 P229 S230 P235 M236	V228-K232 HydrophobicContact CG1-CB 3.54Å; P229-K232 PolarHBondContact O-N 3.49Å; S230-K232 VanDerWaalsContact C-N 3.3Å; S230-K232 PolarHBondContact O-N 2.8Å; K232-P235 VanDerWaalsContact O-CD 3.28Å; K232-P235 WeakPolarHBondContact O-CD 3.34Å; K232-P235 VanDerWaalsContact O-CG 3.29Å; K232-P235 WeakPolarHBondContact O-CG 3.33Å; K232-M236 HydrophobicContact CB-CE 4.28Å; K232-M236 WeakPolarHBondContact O-CG 3.39Å; K232-M236 PolarHBondContact O-N 3.24Å
233	A	82.1	Confident	85.1	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.9	-46.6	180	0	0	0	0	0	113.3	D225 V228 P229 M236 I237 F373	D225-A233 VanDerWaalsContact OD1-CB 3.25Å; D225-A233 WeakPolarHBondContact OD1-CB 3.5Å; V228-A233 HydrophobicContact CB-CB 4.06Å; V228-A233 HydrophobicContact CG1-CB 4.12Å; P229-A233 PolarHBondContact O-N 2.95Å; P229-A233 VanDerWaalsContact O-N 3.15Å; A233-M236 PolarHBondContact O-N 2.93Å; A233-I237 WeakPolarHBondContact O-CG1 3.44Å; A233-I237 PolarHBondContact O-N 3.24Å; A233-F373 HydrophobicContact CB-CE1 4.45Å
234	P	81.2	Confident	85.4	Confident	24 Å²	24	46.6 Å²	46.6	16%	0.156	28%	0.276	C	S	.	.	H	α-helix	trans	-56.7	-49	179.9	-24.7	33.5	0	0	0	115.1	S230 M236 I237 A238 W370 F373	S230-P234 WeakPolarHBondContact O-CD 3.47Å; P234-M236 VanDerWaalsContact C-N 3.31Å; P234-M236 PolarHBondContact O-N 3.42Å; P234-I237 PolarHBondContact O-N 3.05Å; P234-A238 WeakPolarHBondContact O-CB 3.34Å; P234-A238 PolarHBondContact O-N 3.43Å; P234-W370 HydrophobicContact CB-CE3 4.1Å; P234-W370 HydrophobicContact CB-CZ3 4.35Å; P234-F373 HydrophobicContact CG-CD1 3.64Å; P234-F373 HydrophobicContact CG-CE1 3.94Å; P234-F373 HydrophobicContact CG-CG 4.26Å
235	P	82.9	Confident	85.4	Confident	81 Å²	81	49 Å²	49	53%	0.526	30%	0.296	S	S	.	.	H	α-helix	trans	-65.9	-32	178.3	24.1	-33.2	0	0	0	113	K232 A238 S239	K232-P235 VanDerWaalsContact O-CD 3.28Å; K232-P235 WeakPolarHBondContact O-CD 3.34Å; K232-P235 VanDerWaalsContact O-CG 3.29Å; K232-P235 WeakPolarHBondContact O-CG 3.33Å; P235-A238 PolarHBondContact O-N 3.07Å; P235-S239 PolarHBondContact O-N 2.86Å
236	M	88.4	Confident	85.7	Confident	22 Å²	22	51.6 Å²	51.6	11%	0.108	31%	0.308	C	S	.	.	H	α-helix	trans	-68.6	-45.2	175.1	-68.7	-177.3	-174.9	0	0	111.7	L60 M61 L64 I224 V228 K232 A233 P234 A238 S239 L240	L60-M236 HydrophobicContact CD2-SD 4.21Å; M61-M236 HydrophobicContact CE-CE 3.35Å; M61-M236 HydrophobicContact SD-CE 4.2Å; L64-M236 HydrophobicContact CD1-CB 4.39Å; L64-M236 HydrophobicContact CD2-CB 3.9Å; L64-M236 HydrophobicContact CD2-CG 3.78Å; L64-M236 HydrophobicContact CD2-SD 4.19Å; I224-M236 HydrophobicContact CG2-CB 3.88Å; I224-M236 HydrophobicContact CG2-SD 4.5Å; V228-M236 HydrophobicContact CB-SD 4.45Å; V228-M236 HydrophobicContact CG1-CE 4.23Å; V228-M236 HydrophobicContact CG1-SD 3.81Å; V228-M236 HydrophobicContact CG2-SD 3.73Å; K232-M236 HydrophobicContact CB-CE 4.28Å; K232-M236 WeakPolarHBondContact O-CG 3.39Å; K232-M236 PolarHBondContact O-N 3.24Å; A233-M236 PolarHBondContact O-N 2.93Å; P234-M236 VanDerWaalsContact C-N 3.31Å; P234-M236 PolarHBondContact O-N 3.42Å; M236-A238 VanDerWaalsContact C-N 3.31Å; M236-A238 PolarHBondContact O-N 3.3Å; M236-S239 WeakPolarHBondContact O-CB 3.46Å; M236-S239 PolarHBondContact O-N 3Å; M236-S239 PolarHBondContact O-OG 2.87Å; M236-L240 PolarHBondContact O-N 3.5Å
237	I	86.1	Confident	86.2	Confident	31 Å²	31	45.7 Å²	45.7	16%	0.159	28%	0.276	C	S	.	.	H	α-helix	trans	-63.2	-39.7	174.9	-66.3	168.2	0	0	0	110.6	P221 I224 D225 A233 P234 S239 L240 Y241	P221-I237 HydrophobicContact CB-CG2 4.16Å; I224-I237 HydrophobicContact CB-CG1 4.21Å; I224-I237 HydrophobicContact CG2-CG1 4.03Å; D225-I237 HydrophobicContact CB-CD1 4.17Å; A233-I237 WeakPolarHBondContact O-CG1 3.44Å; A233-I237 PolarHBondContact O-N 3.24Å; P234-I237 PolarHBondContact O-N 3.05Å; I237-S239 VanDerWaalsContact C-N 3.3Å; I237-S239 PolarHBondContact O-N 3.42Å; I237-L240 WeakPolarHBondContact O-CB 3.28Å; I237-L240 PolarHBondContact O-N 3.33Å; I237-Y241 HydrophobicContact CG2-CD2 3.85Å; I237-Y241 HydrophobicContact CG2-CE2 3.5Å; I237-Y241 VanDerWaalsContact O-CD2 3.3Å; I237-Y241 WeakPolarHBondContact O-CD2 3.29Å; I237-Y241 PolarHBondContact O-N 2.78Å
238	A	83.8	Confident	86.6	Confident	51 Å²	51	45.6 Å²	45.6	42%	0.421	28%	0.278	S	S	.	.	H	α-helix	trans	-61.2	-38.8	174.8	0	0	0	0	0	111.9	P234 P235 M236 L240 Y241 A242	P234-A238 WeakPolarHBondContact O-CB 3.34Å; P234-A238 PolarHBondContact O-N 3.43Å; P235-A238 PolarHBondContact O-N 3.07Å; M236-A238 VanDerWaalsContact C-N 3.31Å; M236-A238 PolarHBondContact O-N 3.3Å; A238-L240 VanDerWaalsContact C-N 3.3Å; A238-L240 PolarHBondContact O-N 3.11Å; A238-Y241 PolarHBondContact O-N 2.97Å; A238-A242 WeakPolarHBondContact O-CB 3.47Å; A238-A242 PolarHBondContact O-N 3.23Å
239	S	89.2	Confident	87.1	Confident	45 Å²	45	46.3 Å²	46.3	32%	0.315	28%	0.282	S	S	.	.	H	α-helix	trans	-62.9	-35.5	176.2	77.9	0	0	0	0	113	P235 M236 I237 A242 A243	P235-S239 PolarHBondContact O-N 2.86Å; M236-S239 WeakPolarHBondContact O-CB 3.46Å; M236-S239 PolarHBondContact O-N 3Å; M236-S239 PolarHBondContact O-OG 2.87Å; I237-S239 VanDerWaalsContact C-N 3.3Å; I237-S239 PolarHBondContact O-N 3.42Å; S239-A242 PolarHBondContact O-N 2.69Å; S239-A243 WeakPolarHBondContact O-CB 3.49Å; S239-A243 PolarHBondContact O-N 3.1Å
240	L	90.9	Very high	87.9	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-64.2	-47.4	175.4	-178.7	70.7	0	0	0	111.8	A67 S71 T220 P221 I224 M236 I237 A238 A243 S244	A67-L240 HydrophobicContact CB-CD1 3.99Å; S71-L240 VanDerWaalsContact OG-CD1 3.28Å; S71-L240 WeakPolarHBondContact OG-CD1 3.38Å; T220-L240 HydrophobicContact CG2-CD1 4.2Å; T220-L240 HydrophobicContact CG2-CD2 3.56Å; P221-L240 HydrophobicContact CG-CD2 4.04Å; I224-L240 HydrophobicContact CD1-CD2 4.28Å; M236-L240 PolarHBondContact O-N 3.5Å; I237-L240 WeakPolarHBondContact O-CB 3.28Å; I237-L240 PolarHBondContact O-N 3.33Å; A238-L240 VanDerWaalsContact C-N 3.3Å; A238-L240 PolarHBondContact O-N 3.11Å; L240-A243 PolarHBondContact O-N 3.07Å; L240-S244 PolarHBondContact O-N 3.4Å; L240-S244 PolarHBondContact O-OG 2.82Å
241	Y	88.9	Confident	88.8	Confident	124 Å²	124	45.5 Å²	45.5	49%	0.486	27%	0.272	S	S	.	.	H	α-helix	trans	-68.4	-35.9	177.1	-71.6	-61.6	0	0	0	112.3	P221 I237 A238 S244 A245	P221-Y241 HydrophobicContact CG-CE2 4.48Å; P221-Y241 WeakPolarHBondContact CG-OH 3.35Å; I237-Y241 HydrophobicContact CG2-CD2 3.85Å; I237-Y241 HydrophobicContact CG2-CE2 3.5Å; I237-Y241 VanDerWaalsContact O-CD2 3.3Å; I237-Y241 WeakPolarHBondContact O-CD2 3.29Å; I237-Y241 PolarHBondContact O-N 2.78Å; A238-Y241 PolarHBondContact O-N 2.97Å; Y241-S244 WeakPolarHBondContact O-CB 3.48Å; Y241-S244 PolarHBondContact O-N 3.34Å; Y241-A245 WeakPolarHBondContact O-CB 3.02Å; Y241-A245 PolarHBondContact O-N 2.75Å
242	A	88.5	Confident	89.6	Confident	62 Å²	62	41.6 Å²	41.6	51%	0.512	24%	0.244	S	C	.	.	H	α-helix	trans	-63.5	-42.1	174.2	0	0	0	0	0	111.8	A238 S239 S244 A245 M246	A238-A242 WeakPolarHBondContact O-CB 3.47Å; A238-A242 PolarHBondContact O-N 3.23Å; S239-A242 PolarHBondContact O-N 2.69Å; A242-S244 VanDerWaalsContact C-N 3.34Å; A242-S244 PolarHBondContact O-N 2.77Å; A242-A245 PolarHBondContact O-N 3.38Å; A242-M246 PolarHBondContact O-N 3.14Å
243	A	92.1	Very high	90.2	Very high	22 Å²	22	38.5 Å²	38.5	18%	0.182	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-42.6	173.8	0	0	0	0	0	111.6	C68 C72 S239 L240 A245 M246 G247	C68-A243 HydrophobicContact CB-CB 3.8Å; C68-A243 WeakPolarHBondContact O-CB 3.32Å; C72-A243 HydrophobicContact CB-CB 4.46Å; C72-A243 WeakPolarHBondContact CB-O 3.38Å; C72-A243 PolarHBondContact SG-O 3.49Å; S239-A243 WeakPolarHBondContact O-CB 3.49Å; S239-A243 PolarHBondContact O-N 3.1Å; L240-A243 PolarHBondContact O-N 3.07Å; A243-A245 VanDerWaalsContact C-N 3.34Å; A243-A245 PolarHBondContact O-N 3.12Å; A243-M246 PolarHBondContact O-N 2.81Å; A243-G247 PolarHBondContact O-N 2.75Å
244	S	92.3	Very high	90.9	Very high	16 Å²	16	39.9 Å²	39.9	11%	0.112	25%	0.247	C	C	.	.	H	α-helix	trans	-63	-38.8	175.9	-51.2	0	0	0	0	112.2	S71 A75 L240 Y241 A242 M246 G247 P248	S71-S244 VanDerWaalsContact CB-OG 3.22Å; S71-S244 WeakPolarHBondContact CB-OG 3.39Å; A75-S244 WeakPolarHBondContact CB-O 3.47Å; L240-S244 PolarHBondContact O-N 3.4Å; L240-S244 PolarHBondContact O-OG 2.82Å; Y241-S244 WeakPolarHBondContact O-CB 3.48Å; Y241-S244 PolarHBondContact O-N 3.34Å; A242-S244 VanDerWaalsContact C-N 3.34Å; A242-S244 PolarHBondContact O-N 2.77Å; S244-M246 PolarHBondContact O-N 3.42Å; S244-G247 PolarHBondContact O-N 2.69Å; S244-G247 VanDerWaalsContact O-N 3.12Å; S244-P248 WeakPolarHBondContact O-CD 3.18Å
245	A	88.3	Confident	91.6	Very high	51 Å²	51	38.8 Å²	38.8	42%	0.421	24%	0.24	S	C	.	.	H	α-helix	trans	-65.2	-25.4	177.9	0	0	0	0	0	113.3	Y241 A242 A243	Y241-A245 WeakPolarHBondContact O-CB 3.02Å; Y241-A245 PolarHBondContact O-N 2.75Å; A242-A245 PolarHBondContact O-N 3.38Å; A243-A245 VanDerWaalsContact C-N 3.34Å; A243-A245 PolarHBondContact O-N 3.12Å
246	M	89.4	Confident	92.2	Very high	93 Å²	93	35.2 Å²	35.2	46%	0.458	22%	0.217	S	C	.	.	H	α-helix	trans	-79.4	-20.5	175	-167.2	57.5	66.2	0	0	113	A242 A243 S244 V249 I250	A242-M246 PolarHBondContact O-N 3.14Å; A243-M246 PolarHBondContact O-N 2.81Å; S244-M246 PolarHBondContact O-N 3.42Å; M246-V249 WeakPolarHBondContact O-CB 3.39Å; M246-V249 PolarHBondContact O-N 3.46Å; M246-V249 VanDerWaalsContact O-N 3.14Å; M246-V249 HydrophobicContact SD-CB 3.93Å; M246-V249 HydrophobicContact SD-CG1 4.16Å; M246-V249 HydrophobicContact SD-CG2 4.01Å; M246-I250 HydrophobicContact CG-CD1 4.41Å; M246-I250 HydrophobicContact CG-CG1 4.43Å; M246-I250 PolarHBondContact O-N 2.87Å
247	G	94.4	Very high	92.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-51.9	-53.7	-177.2	0	0	0	0	0	113.8	C72 S76 A243 S244 V249 I250 G251	C72-G247 VanDerWaalsContact O-CA 3.3Å; C72-G247 WeakPolarHBondContact O-CA 3.42Å; S76-G247 WeakPolarHBondContact CA-O 3.06Å; S76-G247 PolarHBondContact OG-O 2.92Å; S76-G247 VanDerWaalsContact OG-O 3.07Å; A243-G247 PolarHBondContact O-N 2.75Å; S244-G247 PolarHBondContact O-N 2.69Å; S244-G247 VanDerWaalsContact O-N 3.12Å; G247-V249 PolarHBondContact O-N 3.2Å; G247-V249 VanDerWaalsContact O-N 3.14Å; G247-I250 PolarHBondContact O-N 2.95Å; G247-G251 PolarHBondContact O-N 3.33Å
248	P	94.7	Very high	92.9	Very high	30 Å²	30	38.9 Å²	38.9	20%	0.195	23%	0.232	C	C	.	.	H	α-helix	trans	-55.8	-36	-179.6	-27.2	36.3	0	0	0	113.5	S244 G251 F252 V462	S244-P248 WeakPolarHBondContact O-CD 3.18Å; P248-G251 PolarHBondContact O-N 3.48Å; P248-F252 WeakPolarHBondContact O-CD2 3.31Å; P248-F252 PolarHBondContact O-N 3.26Å; P248-V462 HydrophobicContact CB-CG1 4.42Å
249	V	94.7	Very high	93.3	Very high	24 Å²	24	36.5 Å²	36.5	15%	0.145	21%	0.212	C	C	.	.	H	α-helix	trans	-60.4	-48.8	176	178.3	0	0	0	0	110.7	M246 G247 G251 F252 A253 G458 V462 P463	M246-V249 WeakPolarHBondContact O-CB 3.39Å; M246-V249 PolarHBondContact O-N 3.46Å; M246-V249 VanDerWaalsContact O-N 3.14Å; M246-V249 HydrophobicContact SD-CB 3.93Å; M246-V249 HydrophobicContact SD-CG1 4.16Å; M246-V249 HydrophobicContact SD-CG2 4.01Å; G247-V249 PolarHBondContact O-N 3.2Å; G247-V249 VanDerWaalsContact O-N 3.14Å; V249-G251 VanDerWaalsContact C-N 3.3Å; V249-G251 PolarHBondContact O-N 2.78Å; V249-F252 PolarHBondContact O-N 2.97Å; V249-A253 WeakPolarHBondContact O-CB 3.25Å; V249-A253 PolarHBondContact O-N 2.86Å; V249-G458 WeakPolarHBondContact CG1-O 3.43Å; V249-V462 HydrophobicContact CG2-CB 4.11Å; V249-V462 HydrophobicContact CG2-CG1 3.55Å; V249-P463 HydrophobicContact CG1-CG 4.22Å; V249-P463 HydrophobicContact CG2-CG 3.87Å
250	I	95.6	Very high	93.3	Very high	77 Å²	77	39.1 Å²	39.1	40%	0.395	22%	0.22	S	C	.	.	H	α-helix	trans	-63.2	-40.4	176.8	-60.1	-179.3	0	0	0	110.5	C72 M246 G247 A253 L254	C72-I250 WeakPolarHBondContact SG-CD1 3.35Å; M246-I250 HydrophobicContact CG-CD1 4.41Å; M246-I250 HydrophobicContact CG-CG1 4.43Å; M246-I250 PolarHBondContact O-N 2.87Å; G247-I250 PolarHBondContact O-N 2.95Å; I250-A253 PolarHBondContact O-N 3.3Å; I250-L254 WeakPolarHBondContact O-CB 3.47Å; I250-L254 PolarHBondContact O-N 3.23Å
251	G	97.4	Very high	93.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.2	-48.9	176	0	0	0	0	0	113.3	S76 Y80 G247 P248 V249 G255	S76-G251 WeakPolarHBondContact O-CA 3.41Å; Y80-G251 WeakPolarHBondContact CA-O 3.37Å; G247-G251 PolarHBondContact O-N 3.33Å; P248-G251 PolarHBondContact O-N 3.48Å; V249-G251 VanDerWaalsContact C-N 3.3Å; V249-G251 PolarHBondContact O-N 2.78Å; G251-G255 PolarHBondContact O-N 2.83Å
252	F	96.8	Very high	93	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.018	22%	0.224	C	C	.	.	H	α-helix	trans	-64.9	-40.3	175.8	-81.8	-67.8	0	0	0	112.2	G79 P248 V249 G255 A256 P439 A457 G458 V462	G79-F252 WeakPolarHBondContact O-CD1 3.49Å; P248-F252 WeakPolarHBondContact O-CD2 3.31Å; P248-F252 PolarHBondContact O-N 3.26Å; V249-F252 PolarHBondContact O-N 2.97Å; F252-G255 CarbonylContact O-C 3.38Å; F252-G255 WeakPolarHBondContact O-CA 3.39Å; F252-G255 PolarHBondContact O-N 3.36Å; F252-A256 WeakPolarHBondContact O-CB 3.48Å; F252-A256 PolarHBondContact O-N 3.33Å; F252-P439 HydrophobicContact CD1-CG 4.23Å; F252-P439 HydrophobicContact CE1-CG 3.57Å; F252-A457 HydrophobicContact CD1-CB 4.33Å; F252-A457 HydrophobicContact CE1-CB 4.19Å; F252-G458 VanDerWaalsContact CB-CA 3.45Å; F252-V462 HydrophobicContact CD2-CG2 4.32Å; F252-V462 HydrophobicContact CE2-CG2 4.04Å
253	A	96	Very high	92.9	Very high	50 Å²	50	36.6 Å²	36.6	41%	0.413	20%	0.2	S	C	.	.	H	α-helix	trans	-63.5	-45.7	177.6	0	0	0	0	0	111.6	V249 I250 G255 A256 F257	V249-A253 WeakPolarHBondContact O-CB 3.25Å; V249-A253 PolarHBondContact O-N 2.86Å; I250-A253 PolarHBondContact O-N 3.3Å; A253-G255 VanDerWaalsContact C-N 3.27Å; A253-G255 PolarHBondContact O-N 3.49Å; A253-A256 PolarHBondContact O-N 2.9Å; A253-F257 WeakPolarHBondContact O-CB 3.24Å; A253-F257 PolarHBondContact O-N 3.26Å
254	L	96.8	Very high	92.3	Very high	29 Å²	29	36.5 Å²	36.5	15%	0.152	20%	0.197	C	C	.	.	H	α-helix	trans	-60.3	-40.8	172.9	179.1	63.3	0	0	0	111.1	Y80 I250 F257 L258 L291 L292	Y80-L254 HydrophobicContact CD2-CB 4.42Å; Y80-L254 HydrophobicContact CD2-CD2 4.25Å; Y80-L254 HydrophobicContact CD2-CG 4.17Å; Y80-L254 HydrophobicContact CE2-CD2 4.49Å; Y80-L254 HydrophobicContact CE2-CG 4.21Å; I250-L254 WeakPolarHBondContact O-CB 3.47Å; I250-L254 PolarHBondContact O-N 3.23Å; L254-F257 PolarHBondContact O-N 3.44Å; L254-L258 HydrophobicContact CD1-CD1 3.83Å; L254-L258 HydrophobicContact CD1-CG 4.06Å; L254-L258 HydrophobicContact CG-CD1 3.96Å; L254-L258 HydrophobicContact CG-CG 4.48Å; L254-L258 WeakPolarHBondContact O-CB 3.49Å; L254-L258 WeakPolarHBondContact O-CG 3.38Å; L254-L258 PolarHBondContact O-N 3.37Å; L254-L291 HydrophobicContact CD1-CD2 3.79Å; L254-L291 HydrophobicContact CD2-CD2 4.15Å; L254-L292 HydrophobicContact CD2-CD1 4.11Å; L254-L292 HydrophobicContact CD2-CD2 4.11Å; L254-L292 HydrophobicContact CD2-CG 3.88Å
255	G	96.4	Very high	91.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.1	-52.8	173.8	0	0	0	0	0	113.1	S83 G251 F252 A253 F257 L258 L259	S83-G255 VanDerWaalsContact OG-CA 3.31Å; S83-G255 WeakPolarHBondContact OG-CA 3.25Å; G251-G255 PolarHBondContact O-N 2.83Å; F252-G255 CarbonylContact O-C 3.38Å; F252-G255 WeakPolarHBondContact O-CA 3.39Å; F252-G255 PolarHBondContact O-N 3.36Å; A253-G255 VanDerWaalsContact C-N 3.27Å; A253-G255 PolarHBondContact O-N 3.49Å; G255-F257 VanDerWaalsContact C-N 3.27Å; G255-F257 PolarHBondContact O-N 3.07Å; G255-L258 PolarHBondContact O-N 3.4Å; G255-L259 VanDerWaalsContact O-CB 3.3Å; G255-L259 WeakPolarHBondContact O-CB 3.25Å; G255-L259 WeakPolarHBondContact O-CD1 3.45Å; G255-L259 WeakPolarHBondContact O-CG 3.47Å; G255-L259 PolarHBondContact O-N 2.93Å
256	A	95.4	Very high	90.8	Very high	7 Å²	7	42.9 Å²	42.9	6%	0.058	23%	0.225	C	C	.	.	H	α-helix	trans	-58.9	-38.9	178.4	0	0	0	0	0	112.1	F252 A253 S451 L455	F252-A256 WeakPolarHBondContact O-CB 3.48Å; F252-A256 PolarHBondContact O-N 3.33Å; A253-A256 PolarHBondContact O-N 2.9Å; A256-S451 WeakPolarHBondContact O-CB 3.07Å; A256-L455 HydrophobicContact CB-CB 4.4Å
257	F	95.3	Very high	89.6	Confident	107 Å²	107	41 Å²	41	47%	0.469	22%	0.221	S	C	.	.	H	α-helix	trans	-67.7	-51.5	176.4	179	-102.9	0	0	0	112.2	A253 L254 G255 L259 Q260 Y261	A253-F257 WeakPolarHBondContact O-CB 3.24Å; A253-F257 PolarHBondContact O-N 3.26Å; L254-F257 PolarHBondContact O-N 3.44Å; G255-F257 VanDerWaalsContact C-N 3.27Å; G255-F257 PolarHBondContact O-N 3.07Å; F257-L259 VanDerWaalsContact C-N 3.29Å; F257-L259 PolarHBondContact O-N 3.4Å; F257-Q260 WeakPolarHBondContact O-CB 3.41Å; F257-Q260 PolarHBondContact O-N 2.86Å; F257-Q260 VanDerWaalsContact O-N 3.11Å; F257-Y261 AromaticContact CE1-CE2 3.98Å; F257-Y261 HydrophobicContact CE1-CE2 3.98Å; F257-Y261 HydrophobicContact CE2-CE2 4.15Å; F257-Y261 AromaticContact CZ-CE2 3.77Å; F257-Y261 HydrophobicContact CZ-CE2 3.77Å
258	L	94.5	Very high	87.4	Confident	22 Å²	22	49.6 Å²	49.6	12%	0.115	26%	0.263	C	S	.	.	H	α-helix	trans	-69.7	-26	-177.8	-69.2	177	0	0	0	113.2	Y80 L254 G255 Q260 Y261 A284 A287 G288	Y80-L258 HydrophobicContact CE2-CD1 3.85Å; Y80-L258 WeakPolarHBondContact OH-CD1 3.33Å; L254-L258 HydrophobicContact CD1-CD1 3.83Å; L254-L258 HydrophobicContact CD1-CG 4.06Å; L254-L258 HydrophobicContact CG-CD1 3.96Å; L254-L258 HydrophobicContact CG-CG 4.48Å; L254-L258 WeakPolarHBondContact O-CB 3.49Å; L254-L258 WeakPolarHBondContact O-CG 3.38Å; L254-L258 PolarHBondContact O-N 3.37Å; G255-L258 PolarHBondContact O-N 3.4Å; L258-Q260 PolarHBondContact O-N 3.2Å; L258-Y261 PolarHBondContact O-N 3.47Å; L258-A284 PolarHBondContact O-N 3.04Å; L258-A287 HydrophobicContact CD1-CB 4.07Å; L258-A287 HydrophobicContact CD2-CB 4.21Å; L258-G288 VanDerWaalsContact CD1-CA 3.45Å; L258-G288 VanDerWaalsContact CD1-N 3.26Å
259	L	92	Very high	85.2	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-11.9	172.4	-77	166.7	0	0	0	113.5	T87 G255 F257 Y261 W281 K450	T87-L259 VanDerWaalsContact OG1-CD2 3.27Å; T87-L259 WeakPolarHBondContact OG1-CD2 3.4Å; G255-L259 VanDerWaalsContact O-CB 3.3Å; G255-L259 WeakPolarHBondContact O-CB 3.25Å; G255-L259 WeakPolarHBondContact O-CD1 3.45Å; G255-L259 WeakPolarHBondContact O-CG 3.47Å; G255-L259 PolarHBondContact O-N 2.93Å; F257-L259 VanDerWaalsContact C-N 3.29Å; F257-L259 PolarHBondContact O-N 3.4Å; L259-Y261 VanDerWaalsContact C-N 3.33Å; L259-W281 PolarHBondContact O-NE1 3.21Å; L259-K450 HydrophobicContact CD1-CB 4.2Å; L259-K450 HydrophobicContact CD2-CD 4.42Å
260	Q	89	Confident	83	Confident	100 Å²	100	60 Å²	60	47%	0.467	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-14.7	174.5	-61.2	177.2	11	0	0	113.2	F257 L258 W281	F257-Q260 WeakPolarHBondContact O-CB 3.41Å; F257-Q260 PolarHBondContact O-N 2.86Å; F257-Q260 VanDerWaalsContact O-N 3.11Å; L258-Q260 PolarHBondContact O-N 3.2Å; Q260-W281 VanDerWaalsContact O-CZ2 3.31Å; Q260-W281 WeakPolarHBondContact O-CZ2 3.37Å
261	Y	89.2	Confident	80.5	Confident	107 Å²	107	61.7 Å²	61.7	42%	0.42	33%	0.327	S	S	.	.	S	Bend	trans	-105.1	143.5	178.3	-62.7	-83.3	0	0	0	110.6	F257 L258 L259 W281 G283 A284	F257-Y261 AromaticContact CE1-CE2 3.98Å; F257-Y261 HydrophobicContact CE1-CE2 3.98Å; F257-Y261 HydrophobicContact CE2-CE2 4.15Å; F257-Y261 AromaticContact CZ-CE2 3.77Å; F257-Y261 HydrophobicContact CZ-CE2 3.77Å; L258-Y261 PolarHBondContact O-N 3.47Å; L259-Y261 VanDerWaalsContact C-N 3.33Å; Y261-W281 WeakPolarHBondContact O-CZ2 3.28Å; Y261-G283 CarbonylContact O-C 3.26Å; Y261-G283 WeakPolarHBondContact O-CA 3.37Å; Y261-A284 PolarHBondContact O-N 3.18Å
262	P	85.2	Confident	78.3	Confident	27 Å²	27	66.1 Å²	66.1	18%	0.175	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-66.8	153.8	-178.7	28.7	-33.4	0	0	0	110.5	D264 V265 W281 I282	P262-D264 PolarHBondContact O-N 3.05Å; P262-V265 HydrophobicContact CG-CG2 4.28Å; P262-V265 WeakPolarHBondContact O-CG2 3.42Å; P262-V265 PolarHBondContact O-N 3.4Å; P262-W281 HydrophobicContact CB-CH2 3.81Å; P262-W281 HydrophobicContact CB-CZ2 4.47Å; P262-W281 HydrophobicContact CB-CZ3 4Å; P262-W281 HydrophobicContact CG-CH2 4.26Å; P262-W281 VanDerWaalsContact N-CH2 3.29Å; P262-I282 CarbonylContact C-O 3.47Å
263	A	85	Confident	76.2	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.008	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-35.8	177.2	0	0	0	0	0	112.8	H148 V265 I282 G283 W286	H148-A263 PolarHBondContact NE2-O 3.22Å; A263-V265 VanDerWaalsContact C-N 3.3Å; A263-V265 PolarHBondContact O-N 2.84Å; A263-I282 HydrophobicContact CB-CB 4.33Å; A263-I282 HydrophobicContact CB-CG2 3.72Å; A263-I282 PolarHBondContact N-O 3.38Å; A263-G283 WeakPolarHBondContact CB-O 3.46Å; A263-W286 PolarHBondContact O-NE1 3.4Å
264	D	80.1	Confident	74.5	Confident	21 Å²	21	76.2 Å²	76.2	11%	0.112	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	35.6	-174	-53.6	-40.6	0	0	0	112.6	H148 F152 P262 L266 S267 F272	H148-D264 IonicContact NE2-OD1 3.83Å; F152-D264 WeakPolarHBondContact CE2-OD1 3.34Å; P262-D264 PolarHBondContact O-N 3.05Å; D264-L266 PolarHBondContact O-N 3.27Å; D264-L266 VanDerWaalsContact O-N 3.08Å; D264-S267 WeakPolarHBondContact O-CB 3.2Å; D264-S267 PolarHBondContact O-N 3.38Å; D264-F272 HydrophobicContact CB-CE2 4.47Å; D264-F272 HydrophobicContact CB-CZ 4.44Å
265	V	76.9	Confident	73	Confident	81 Å²	81	76.4 Å²	76.4	49%	0.491	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-34.4	-180	-167.6	0	0	0	0	112.5	P262 A263 S267 A284	P262-V265 HydrophobicContact CG-CG2 4.28Å; P262-V265 WeakPolarHBondContact O-CG2 3.42Å; P262-V265 PolarHBondContact O-N 3.4Å; A263-V265 VanDerWaalsContact C-N 3.3Å; A263-V265 PolarHBondContact O-N 2.84Å; V265-S267 VanDerWaalsContact C-N 3.34Å; V265-A284 HydrophobicContact CG2-CB 4.49Å
266	L	71.1	Confident	71.6	Confident	120 Å²	120	77.9 Å²	77.9	63%	0.628	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-21.5	-178.3	-71.6	154.2	0	0	0	113	F149 D264 M268 W286	F149-L266 HydrophobicContact CE1-CD1 4.28Å; D264-L266 PolarHBondContact O-N 3.27Å; D264-L266 VanDerWaalsContact O-N 3.08Å; L266-M268 PolarHBondContact O-N 2.83Å; L266-W286 HydrophobicContact CD1-CH2 3.64Å; L266-W286 HydrophobicContact CD1-CZ2 3.77Å
267	S	64.8	Low	70.2	Confident	54 Å²	54	83.2 Å²	83.2	38%	0.378	42%	0.424	S	S	.	.			trans	-79.6	89.3	179.3	-65	0	0	0	0	109.2	D264 V265 N269	D264-S267 WeakPolarHBondContact O-CB 3.2Å; D264-S267 PolarHBondContact O-N 3.38Å; V265-S267 VanDerWaalsContact C-N 3.34Å; S267-N269 PolarHBondContact O-N 3.4Å
268	M	48.8	Very low	69	Low	180 Å²	180	79.9 Å²	79.9	89%	0.887	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	7.2	-174.2	-73	-159.9	158.3	0	0	116.7	L266	L266-M268 PolarHBondContact O-N 2.83Å
269	N	48.3	Very low	67.6	Low	156 Å²	156	80.7 Å²	80.7	83%	0.834	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	6.1	-161.8	-80.1	-1.9	0	0	0	117.7	S267	S267-N269 PolarHBondContact O-N 3.4Å
270	K	47.9	Very low	66.6	Low	115 Å²	115	84.7 Å²	84.7	50%	0.5	44%	0.436	S	S	.	.	S	Bend	trans	-143.4	138.7	164.9	-70.5	-174.7	-178.5	173.5	0	111.3	T157 F272	T157-K270 PolarHBondContact O-NZ 3.41Å; K270-F272 VanDerWaalsContact C-N 3.31Å; K270-F272 HydrophobicContact CB-CE2 4.5Å; K270-F272 WeakPolarHBondContact O-CD2 3.45Å; K270-F272 PolarHBondContact O-N 2.72Å
271	P	43.9	Very low	66.1	Low	113 Å²	113	80.9 Å²	80.9	73%	0.734	42%	0.417	S	S	*	.			trans	-66.3	94.6	166.8	27.9	-31.7	0	0	0	108.3	K273	P271-K273 VanDerWaalsContact C-N 3.28Å; P271-K273 PolarHBondContact O-N 3.23Å
272	F	51.5	Low	65.9	Low	93 Å²	93	77.5 Å²	77.5	41%	0.408	41%	0.406	S	S	.	.			trans	-69.3	90.4	169.6	-71.1	-80.2	0	0	0	108.2	D264 K270 R274	D264-F272 HydrophobicContact CB-CE2 4.47Å; D264-F272 HydrophobicContact CB-CZ 4.44Å; K270-F272 VanDerWaalsContact C-N 3.31Å; K270-F272 HydrophobicContact CB-CE2 4.5Å; K270-F272 WeakPolarHBondContact O-CD2 3.45Å; K270-F272 PolarHBondContact O-N 2.72Å; F272-R274 VanDerWaalsContact C-N 3.31Å
273	K	51.1	Low	66	Low	139 Å²	139	76.2 Å²	76.2	60%	0.604	40%	0.398	S	S	*	.			trans	-90.7	11.4	172.5	-75.5	-171.8	176.7	-175.9	0	113.1	P271	P271-K273 VanDerWaalsContact C-N 3.28Å; P271-K273 PolarHBondContact O-N 3.23Å
274	R	60.9	Low	66.4	Low	127 Å²	127	76.3 Å²	76.3	48%	0.479	40%	0.399	S	S	.	.			trans	-88.5	131.3	174.3	-66.5	-174.8	-135.2	157.2	-1	109.2	F272 D278 E280 W281	F272-R274 VanDerWaalsContact C-N 3.31Å; R274-D278 HydrophobicContact CB-CB 4.26Å; R274-D278 WeakPolarHBondContact CD-OD2 3.33Å; R274-D278 IonicContact NE-OD2 3.58Å; R274-D278 IonicContact NH1-OD2 2.79Å; R274-D278 PolarHBondContact NH1-OD2 2.96Å; R274-E280 IonicContact NH1-OE2 3.13Å; R274-E280 PolarHBondContact NH1-OE2 3.12Å; R274-W281 WeakPolarHBondContact O-CZ3 3.49Å
275	G	66.6	Low	67.1	Low	33 Å²	33	75.3 Å²	75.3	34%	0.34	39%	0.393	S	S	.	.			trans	-86.2	177	177	0	0	0	0	0	112.5	D277 D278	G275-D277 PolarHBondContact O-N 3.28Å; G275-D278 PolarHBondContact O-N 2.58Å; G275-D278 VanDerWaalsContact O-N 3.13Å
276	P	67	Low	67.9	Low	32 Å²	32	72.9 Å²	72.9	21%	0.208	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-7.7	176.8	27.7	-35.4	0	0	0	114.6
277	D	65.2	Low	69.1	Low	118 Å²	118	68.1 Å²	68.1	63%	0.631	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-12.2	176.3	-53.1	-47.8	0	0	0	112.8	G275 N449	G275-D277 PolarHBondContact O-N 3.28Å; D277-N449 PolarHBondContact OD1-ND2 3.4Å
278	D	69.1	Low	70.6	Confident	37 Å²	37	65.6 Å²	65.6	20%	0.198	34%	0.336	C	S	.	.	S	Bend	trans	-67	128	174.5	178.5	2.6	0	0	0	110.6	R274 G275 E280 W281	R274-D278 HydrophobicContact CB-CB 4.26Å; R274-D278 WeakPolarHBondContact CD-OD2 3.33Å; R274-D278 IonicContact NE-OD2 3.58Å; R274-D278 IonicContact NH1-OD2 2.79Å; R274-D278 PolarHBondContact NH1-OD2 2.96Å; G275-D278 PolarHBondContact O-N 2.58Å; G275-D278 VanDerWaalsContact O-N 3.13Å; D278-E280 PolarHBondContact O-N 2.79Å; D278-E280 VanDerWaalsContact O-N 3.13Å; D278-E280 PolarHBondContact OD1-N 2.9Å; D278-W281 HydrophobicContact CB-CB 4.34Å; D278-W281 WeakPolarHBondContact O-CB 3.44Å; D278-W281 PolarHBondContact O-N 3.48Å
279	P	65.9	Low	72.9	Confident	40 Å²	40	57 Å²	57	26%	0.26	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-28.4	174.5	21.6	-34.8	0	0	0	114.2	K90 W281 P548	K90-P279 PolarHBondContact NZ-O 3.37Å; P279-W281 VanDerWaalsContact C-N 3.31Å; P279-P548 HydrophobicContact CB-CG 4.49Å; P279-P548 HydrophobicContact CG-CG 4.36Å
280	E	70.7	Confident	75.3	Confident	85 Å²	85	52 Å²	52	40%	0.397	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	1.4	177.1	-63.3	-168.1	155.7	0	0	114.1	R274 D278 I282	R274-E280 IonicContact NH1-OE2 3.13Å; R274-E280 PolarHBondContact NH1-OE2 3.12Å; D278-E280 PolarHBondContact O-N 2.79Å; D278-E280 VanDerWaalsContact O-N 3.13Å; D278-E280 PolarHBondContact OD1-N 2.9Å; E280-I282 PolarHBondContact O-N 3.45Å
281	W	79.5	Confident	77.6	Confident	19 Å²	19	50.5 Å²	50.5	7%	0.072	26%	0.263	C	S	.	.			trans	-62	126.2	-175.7	179.5	-103.8	0	0	0	113.3	L259 Q260 Y261 P262 R274 D278 P279 K450	L259-W281 PolarHBondContact O-NE1 3.21Å; Q260-W281 VanDerWaalsContact O-CZ2 3.31Å; Q260-W281 WeakPolarHBondContact O-CZ2 3.37Å; Y261-W281 WeakPolarHBondContact O-CZ2 3.28Å; P262-W281 HydrophobicContact CB-CH2 3.81Å; P262-W281 HydrophobicContact CB-CZ2 4.47Å; P262-W281 HydrophobicContact CB-CZ3 4Å; P262-W281 HydrophobicContact CG-CH2 4.26Å; P262-W281 VanDerWaalsContact N-CH2 3.29Å; R274-W281 WeakPolarHBondContact O-CZ3 3.49Å; D278-W281 HydrophobicContact CB-CB 4.34Å; D278-W281 WeakPolarHBondContact O-CB 3.44Å; D278-W281 PolarHBondContact O-N 3.48Å; P279-W281 VanDerWaalsContact C-N 3.31Å; W281-K450 PolarHBondContact O-NZ 2.66Å
282	I	84.8	Confident	80.2	Confident	36 Å²	36	45.3 Å²	45.3	19%	0.185	23%	0.229	C	C	.	.			trans	-117.3	111.6	171.9	-55.6	178.6	0	0	0	107.4	T87 R91 P262 A263 E280	T87-I282 HydrophobicContact CG2-CB 4.34Å; T87-I282 HydrophobicContact CG2-CG2 3.5Å; T87-I282 VanDerWaalsContact CG2-CG2 3.5Å; R91-I282 HydrophobicContact CB-CD1 4.36Å; R91-I282 HydrophobicContact CB-CG2 4.22Å; P262-I282 CarbonylContact C-O 3.47Å; A263-I282 HydrophobicContact CB-CB 4.33Å; A263-I282 HydrophobicContact CB-CG2 3.72Å; A263-I282 PolarHBondContact N-O 3.38Å; E280-I282 PolarHBondContact O-N 3.45Å
283	G	87.5	Confident	82.4	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-78.7	169.3	-180	0	0	0	0	0	114	Y261 A263 W285	Y261-G283 CarbonylContact O-C 3.26Å; Y261-G283 WeakPolarHBondContact O-CA 3.37Å; A263-G283 WeakPolarHBondContact CB-O 3.46Å; G283-W285 VanDerWaalsContact O-CD1 3.24Å; G283-W285 PolarHBondContact O-N 3.29Å
284	A	92.3	Very high	84.7	Confident	3 Å²	3	36.4 Å²	36.4	3%	0.025	20%	0.196	C	C	.	.			trans	-71.9	61.4	-179.8	0	0	0	0	0	114.2	Y80 L258 Y261 V265 W286 A287	Y80-A284 PolarHBondContact OH-O 3.31Å; L258-A284 PolarHBondContact O-N 3.04Å; Y261-A284 PolarHBondContact O-N 3.18Å; V265-A284 HydrophobicContact CG2-CB 4.49Å; A284-W286 VanDerWaalsContact C-N 3.26Å; A284-W286 PolarHBondContact O-N 3.43Å; A284-A287 HydrophobicContact CB-CB 4.38Å; A284-A287 PolarHBondContact O-N 3.1Å
285	W	94.1	Very high	86.4	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.4	-174.5	63.5	-94.9	0	0	0	114.8	Y80 Q84 T87 L88 F92 H148 F202 G283 F289	Y80-W285 WeakPolarHBondContact CE1-O 3.41Å; Y80-W285 VanDerWaalsContact OH-C 3.27Å; Y80-W285 PolarHBondContact OH-O 2.85Å; Q84-W285 HydrophobicContact CB-CB 4.17Å; Q84-W285 HydrophobicContact CG-CB 4.07Å; Q84-W285 VanDerWaalsContact OE1-CA 3.29Å; Q84-W285 VanDerWaalsContact OE1-CB 3.26Å; T87-W285 HydrophobicContact CG2-CB 4.04Å; T87-W285 HydrophobicContact CG2-CG 4.11Å; L88-W285 HydrophobicContact CD2-CD2 3.8Å; L88-W285 HydrophobicContact CD2-CE3 3.65Å; L88-W285 HydrophobicContact CD2-CG 4.39Å; L88-W285 HydrophobicContact CD2-CH2 4.3Å; L88-W285 HydrophobicContact CD2-CZ2 4.43Å; L88-W285 HydrophobicContact CD2-CZ3 3.92Å; F92-W285 AromaticContact CE2-CH2 3.93Å; F92-W285 HydrophobicContact CE2-CH2 3.93Å; F92-W285 AromaticContact CE2-CZ2 3.74Å; F92-W285 HydrophobicContact CE2-CZ2 3.74Å; F92-W285 HydrophobicContact CZ-CH2 4.02Å; F92-W285 AromaticContact CZ-CZ2 3.9Å; F92-W285 HydrophobicContact CZ-CZ2 3.9Å; H148-W285 HydrophobicContact CB-CH2 3.82Å; H148-W285 HydrophobicContact CB-CZ2 3.64Å; F202-W285 HydrophobicContact CE1-CH2 4.44Å; F202-W285 HydrophobicContact CE1-CZ3 4.17Å; F202-W285 HydrophobicContact CZ-CH2 4.06Å; F202-W285 HydrophobicContact CZ-CZ3 4.21Å; G283-W285 VanDerWaalsContact O-CD1 3.24Å; G283-W285 PolarHBondContact O-N 3.29Å; W285-F289 WeakPolarHBondContact O-CD2 3Å
286	W	94.9	Very high	87.9	Confident	30 Å²	30	31.7 Å²	31.7	11%	0.114	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-27.3	-178.9	57.5	-95.7	0	0	0	112.4	H148 F149 A263 L266 A284 G288 F289 I290	H148-W286 HydrophobicContact CB-CB 4.05Å; H148-W286 HydrophobicContact CB-CG 4.11Å; H148-W286 AromaticContact CD2-CD1 3.25Å; H148-W286 AromaticContact CD2-NE1 3.64Å; H148-W286 AromaticContact CE1-CD1 3.66Å; H148-W286 AromaticContact CE1-CE2 3.92Å; H148-W286 AromaticContact CE1-NE1 3.27Å; H148-W286 PolarHBondContact CE1-NE1 3.07Å; H148-W286 VanDerWaalsContact CE1-NE1 3.27Å; H148-W286 AromaticContact CG-CD1 3.34Å; H148-W286 AromaticContact CG-CG 3.81Å; H148-W286 AromaticContact CG-NE1 3.8Å; H148-W286 AromaticContact ND1-CD1 3.6Å; H148-W286 AromaticContact ND1-NE1 3.58Å; H148-W286 AromaticContact NE2-CD1 3.44Å; H148-W286 AromaticContact NE2-NE1 3.28Å; H148-W286 PolarHBondContact NE2-NE1 3.13Å; F149-W286 HydrophobicContact CE2-CE3 4.34Å; F149-W286 HydrophobicContact CZ-CD2 4.05Å; F149-W286 AromaticContact CZ-CE3 3.74Å; F149-W286 HydrophobicContact CZ-CE3 3.74Å; F149-W286 HydrophobicContact CZ-CH2 4.47Å; F149-W286 AromaticContact CZ-CZ3 3.98Å; F149-W286 HydrophobicContact CZ-CZ3 3.98Å; A263-W286 PolarHBondContact O-NE1 3.4Å; L266-W286 HydrophobicContact CD1-CH2 3.64Å; L266-W286 HydrophobicContact CD1-CZ2 3.77Å; A284-W286 VanDerWaalsContact C-N 3.26Å; A284-W286 PolarHBondContact O-N 3.43Å; W286-G288 PolarHBondContact O-N 3.07Å; W286-F289 PolarHBondContact O-N 3.47Å; W286-I290 HydrophobicContact CE3-CD1 3.59Å; W286-I290 HydrophobicContact CE3-CG1 4.41Å; W286-I290 HydrophobicContact CZ3-CD1 3.79Å; W286-I290 PolarHBondContact O-N 3Å
287	A	95.5	Very high	89.3	Confident	21 Å²	21	34.8 Å²	34.8	17%	0.174	18%	0.183	C	C	.	.	H	α-helix	trans	-67.2	-35.5	-169.6	0	0	0	0	0	112.7	L258 A284 I290 L291	L258-A287 HydrophobicContact CD1-CB 4.07Å; L258-A287 HydrophobicContact CD2-CB 4.21Å; A284-A287 HydrophobicContact CB-CB 4.38Å; A284-A287 PolarHBondContact O-N 3.1Å; A287-I290 PolarHBondContact O-N 3.3Å; A287-L291 WeakPolarHBondContact O-CB 3.44Å; A287-L291 PolarHBondContact O-N 2.85Å
288	G	96.4	Very high	90.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-71.6	-32	-179.6	0	0	0	0	0	112.8	Y80 L258 W286 L291 L292	Y80-G288 WeakPolarHBondContact OH-CA 3.37Å; Y80-G288 PolarHBondContact OH-N 3.31Å; L258-G288 VanDerWaalsContact CD1-CA 3.45Å; L258-G288 VanDerWaalsContact CD1-N 3.26Å; W286-G288 PolarHBondContact O-N 3.07Å; G288-L291 PolarHBondContact O-N 3.03Å; G288-L292 VanDerWaalsContact O-CB 3.31Å; G288-L292 WeakPolarHBondContact O-CB 3.48Å; G288-L292 VanDerWaalsContact O-CG 3.3Å; G288-L292 WeakPolarHBondContact O-CG 3.41Å; G288-L292 PolarHBondContact O-N 2.88Å
289	F	97.5	Very high	92	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.4	-39.8	173	-75	-77.8	0	0	0	111.5	F77 Y80 W144 W285 W286 G293	F77-F289 AromaticContact CD1-CD1 3.84Å; F77-F289 HydrophobicContact CD1-CD1 3.84Å; F77-F289 AromaticContact CD1-CE1 3.89Å; F77-F289 HydrophobicContact CD1-CE1 3.89Å; F77-F289 AromaticContact CE1-CD1 3.8Å; F77-F289 HydrophobicContact CE1-CD1 3.8Å; F77-F289 HydrophobicContact CE1-CE1 4.33Å; Y80-F289 AromaticContact CD1-CD2 3.9Å; Y80-F289 HydrophobicContact CD1-CD2 3.9Å; Y80-F289 HydrophobicContact CD1-CE1 4.4Å; Y80-F289 AromaticContact CD1-CE2 3.65Å; Y80-F289 HydrophobicContact CD1-CE2 3.65Å; Y80-F289 HydrophobicContact CD1-CG 4.35Å; Y80-F289 AromaticContact CD1-CZ 3.91Å; Y80-F289 HydrophobicContact CD1-CZ 3.91Å; Y80-F289 AromaticContact CE1-CD2 3.48Å; Y80-F289 HydrophobicContact CE1-CD2 3.48Å; Y80-F289 VanDerWaalsContact CE1-CD2 3.48Å; Y80-F289 AromaticContact CE1-CE2 3.53Å; Y80-F289 HydrophobicContact CE1-CE2 3.53Å; Y80-F289 HydrophobicContact CE1-CG 4.17Å; Y80-F289 HydrophobicContact CE1-CZ 4.27Å; W144-F289 HydrophobicContact CB-CD1 4.03Å; W144-F289 HydrophobicContact CB-CE1 4.41Å; W144-F289 HydrophobicContact CB-CG 4.18Å; W144-F289 AromaticContact CD1-CD2 3.71Å; W144-F289 AromaticContact CD1-CE2 3.55Å; W144-F289 AromaticContact CD1-CZ 3.8Å; W144-F289 HydrophobicContact CD2-CD1 4.04Å; W144-F289 AromaticContact CD2-CE1 3.51Å; W144-F289 HydrophobicContact CD2-CE1 3.51Å; W144-F289 HydrophobicContact CD2-CE2 4.18Å; W144-F289 AromaticContact CD2-CZ 3.61Å; W144-F289 HydrophobicContact CD2-CZ 3.61Å; W144-F289 AromaticContact CE2-CE1 3.72Å; W144-F289 AromaticContact CE2-CE2 3.77Å; W144-F289 AromaticContact CE2-CZ 3.28Å; W144-F289 HydrophobicContact CE3-CD1 4.26Å; W144-F289 AromaticContact CE3-CE1 3.63Å; W144-F289 HydrophobicContact CE3-CE1 3.63Å; W144-F289 HydrophobicContact CE3-CZ 4.08Å; W144-F289 AromaticContact CG-CD1 3.92Å; W144-F289 HydrophobicContact CG-CD1 3.92Å; W144-F289 HydrophobicContact CG-CD2 4.15Å; W144-F289 AromaticContact CG-CE1 3.85Å; W144-F289 HydrophobicContact CG-CE1 3.85Å; W144-F289 HydrophobicContact CG-CE2 4.1Å; W144-F289 HydrophobicContact CG-CG 4.09Å; W144-F289 AromaticContact CG-CZ 3.97Å; W144-F289 HydrophobicContact CG-CZ 3.97Å; W144-F289 AromaticContact CH2-CE1 3.9Å; W144-F289 HydrophobicContact CH2-CE1 3.9Å; W144-F289 AromaticContact CH2-CZ 3.75Å; W144-F289 HydrophobicContact CH2-CZ 3.75Å; W144-F289 HydrophobicContact CZ2-CE1 4.01Å; W144-F289 HydrophobicContact CZ2-CE2 4.24Å; W144-F289 AromaticContact CZ2-CZ 3.46Å; W144-F289 HydrophobicContact CZ2-CZ 3.46Å; W144-F289 VanDerWaalsContact CZ2-CZ 3.46Å; W144-F289 AromaticContact CZ3-CE1 3.73Å; W144-F289 HydrophobicContact CZ3-CE1 3.73Å; W144-F289 HydrophobicContact CZ3-CZ 4.06Å; W144-F289 AromaticContact NE1-CE2 3.47Å; W144-F289 AromaticContact NE1-CZ 3.52Å; W285-F289 WeakPolarHBondContact O-CD2 3Å; W286-F289 PolarHBondContact O-N 3.47Å; F289-G293 WeakPolarHBondContact O-CA 2.94Å; F289-G293 PolarHBondContact O-N 2.88Å
290	I	97.7	Very high	93.3	Very high	51 Å²	51	30.2 Å²	30.2	26%	0.262	16%	0.156	S	C	.	.	H	α-helix	trans	-65.9	-45.2	174.7	-62.4	-175.7	0	0	0	110.8	F142 S145 F149 W286 A287 S294	F142-I290 HydrophobicContact CD1-CG1 4.45Å; F142-I290 HydrophobicContact CE1-CG2 4.14Å; S145-I290 WeakPolarHBondContact OG-CG1 3.24Å; F149-I290 HydrophobicContact CE2-CD1 4.19Å; F149-I290 HydrophobicContact CZ-CD1 4.23Å; W286-I290 HydrophobicContact CE3-CD1 3.59Å; W286-I290 HydrophobicContact CE3-CG1 4.41Å; W286-I290 HydrophobicContact CZ3-CD1 3.79Å; W286-I290 PolarHBondContact O-N 3Å; A287-I290 PolarHBondContact O-N 3.3Å; I290-S294 WeakPolarHBondContact O-CB 3.2Å; I290-S294 PolarHBondContact O-N 3.34Å; I290-S294 PolarHBondContact O-OG 2.96Å
291	L	97.7	Very high	94.4	Very high	84 Å²	84	28.8 Å²	28.8	44%	0.44	15%	0.153	S	C	.	.	H	α-helix	trans	-62.6	-54.9	179.9	179.7	65	0	0	0	111.7	L254 A287 G288 G293 S294 L295	L254-L291 HydrophobicContact CD1-CD2 3.79Å; L254-L291 HydrophobicContact CD2-CD2 4.15Å; A287-L291 WeakPolarHBondContact O-CB 3.44Å; A287-L291 PolarHBondContact O-N 2.85Å; G288-L291 PolarHBondContact O-N 3.03Å; L291-G293 VanDerWaalsContact C-N 3.31Å; L291-G293 PolarHBondContact O-N 2.87Å; L291-S294 PolarHBondContact O-N 3.47Å; L291-L295 HydrophobicContact CG-CD1 4.44Å; L291-L295 WeakPolarHBondContact O-CG 3.35Å; L291-L295 PolarHBondContact O-N 3.3Å
292	L	98	Very high	94.9	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-62.9	-40.4	178.9	-67.7	174.1	0	0	0	111	L73 F77 Y80 L254 G288 S294 L295 V296	L73-L292 HydrophobicContact CD2-CD2 4.08Å; F77-L292 HydrophobicContact CD1-CD1 4.42Å; F77-L292 HydrophobicContact CD2-CB 4.29Å; F77-L292 HydrophobicContact CD2-CD1 4.21Å; F77-L292 HydrophobicContact CE1-CB 4.04Å; F77-L292 HydrophobicContact CE1-CD1 4.49Å; F77-L292 HydrophobicContact CE2-CB 3.54Å; F77-L292 HydrophobicContact CE2-CD1 4.3Å; F77-L292 HydrophobicContact CE2-CG 4.47Å; F77-L292 HydrophobicContact CG-CD1 4.3Å; F77-L292 HydrophobicContact CZ-CB 3.41Å; F77-L292 VanDerWaalsContact CZ-CB 3.41Å; F77-L292 HydrophobicContact CZ-CD1 4.45Å; Y80-L292 HydrophobicContact CG-CD1 4.45Å; L254-L292 HydrophobicContact CD2-CD1 4.11Å; L254-L292 HydrophobicContact CD2-CD2 4.11Å; L254-L292 HydrophobicContact CD2-CG 3.88Å; G288-L292 VanDerWaalsContact O-CB 3.31Å; G288-L292 WeakPolarHBondContact O-CB 3.48Å; G288-L292 VanDerWaalsContact O-CG 3.3Å; G288-L292 WeakPolarHBondContact O-CG 3.41Å; G288-L292 PolarHBondContact O-N 2.88Å; L292-S294 VanDerWaalsContact C-N 3.34Å; L292-S294 PolarHBondContact O-N 3.29Å; L292-L295 PolarHBondContact O-N 3.17Å; L292-V296 WeakPolarHBondContact O-CB 3.37Å; L292-V296 WeakPolarHBondContact O-CG2 3Å; L292-V296 PolarHBondContact O-N 3.44Å
293	G	98.1	Very high	95.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.7	-42.2	175.8	0	0	0	0	0	113.8	S138 S141 F289 L291 F297	S138-G293 PolarHBondContact OG-O 3.06Å; S141-G293 WeakPolarHBondContact OG-CA 3.43Å; F289-G293 WeakPolarHBondContact O-CA 2.94Å; F289-G293 PolarHBondContact O-N 2.88Å; L291-G293 VanDerWaalsContact C-N 3.31Å; L291-G293 PolarHBondContact O-N 2.87Å; G293-F297 WeakPolarHBondContact O-CB 3.46Å; G293-F297 PolarHBondContact O-N 3.42Å
294	S	98.2	Very high	95.1	Very high	45 Å²	45	32.6 Å²	32.6	32%	0.315	17%	0.174	S	C	.	.	H	α-helix	trans	-68.8	-42.4	177.1	-57.4	0	0	0	0	111.7	I290 L291 L292 V296 F297 I298	I290-S294 WeakPolarHBondContact O-CB 3.2Å; I290-S294 PolarHBondContact O-N 3.34Å; I290-S294 PolarHBondContact O-OG 2.96Å; L291-S294 PolarHBondContact O-N 3.47Å; L292-S294 VanDerWaalsContact C-N 3.34Å; L292-S294 PolarHBondContact O-N 3.29Å; S294-V296 PolarHBondContact O-N 3.37Å; S294-F297 WeakPolarHBondContact O-CB 3.32Å; S294-F297 PolarHBondContact O-N 2.85Å; S294-I298 WeakPolarHBondContact O-CG1 3.47Å; S294-I298 PolarHBondContact O-N 3.18Å
295	L	97.7	Very high	94.8	Very high	60 Å²	60	34.5 Å²	34.5	31%	0.314	18%	0.183	S	C	.	.	H	α-helix	trans	-64.6	-40.2	176.2	-68.5	174.4	0	0	0	111.9	L73 L291 L292 I298 G299	L73-L295 HydrophobicContact CD1-CB 3.69Å; L73-L295 HydrophobicContact CD2-CB 4.21Å; L73-L295 HydrophobicContact CD2-CD1 3.9Å; L291-L295 HydrophobicContact CG-CD1 4.44Å; L291-L295 WeakPolarHBondContact O-CG 3.35Å; L291-L295 PolarHBondContact O-N 3.3Å; L292-L295 PolarHBondContact O-N 3.17Å; L295-I298 PolarHBondContact O-N 3.02Å; L295-G299 PolarHBondContact O-N 3.36Å
296	V	97	Very high	94.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65	-39	173.8	169.5	0	0	0	0	111.3	L73 F77 L134 L292 S294 G299 A300	L73-V296 HydrophobicContact CB-CG2 4.06Å; L73-V296 HydrophobicContact CD1-CG2 4.49Å; F77-V296 HydrophobicContact CE2-CG2 4.03Å; L134-V296 HydrophobicContact CB-CG1 4.03Å; L134-V296 HydrophobicContact CD2-CG1 4.02Å; L292-V296 WeakPolarHBondContact O-CB 3.37Å; L292-V296 WeakPolarHBondContact O-CG2 3Å; L292-V296 PolarHBondContact O-N 3.44Å; S294-V296 PolarHBondContact O-N 3.37Å; V296-G299 CarbonylContact O-C 3.57Å; V296-G299 PolarHBondContact O-N 2.88Å; V296-A300 WeakPolarHBondContact O-CB 3.45Å; V296-A300 PolarHBondContact O-N 3.45Å
297	F	97.4	Very high	93.4	Very high	98 Å²	98	34.4 Å²	34.4	43%	0.43	18%	0.184	S	C	.	.	H	α-helix	trans	-60.6	-45.1	175.2	-173.3	-90.1	0	0	0	112.4	F135 S138 G293 S294 G299 A300 T301	F135-F297 AromaticContact CD1-CD2 3.67Å; F135-F297 HydrophobicContact CD1-CD2 3.67Å; F135-F297 AromaticContact CD1-CE2 3.61Å; F135-F297 HydrophobicContact CD1-CE2 3.61Å; F135-F297 HydrophobicContact CD1-CZ 4.43Å; F135-F297 AromaticContact CE1-CD2 3.75Å; F135-F297 HydrophobicContact CE1-CD2 3.75Å; F135-F297 HydrophobicContact CE1-CE1 4.45Å; F135-F297 AromaticContact CE1-CE2 3.52Å; F135-F297 HydrophobicContact CE1-CE2 3.52Å; F135-F297 HydrophobicContact CE1-CG 4.31Å; F135-F297 AromaticContact CE1-CZ 3.9Å; F135-F297 HydrophobicContact CE1-CZ 3.9Å; S138-F297 WeakPolarHBondContact OG-CB 3.23Å; G293-F297 WeakPolarHBondContact O-CB 3.46Å; G293-F297 PolarHBondContact O-N 3.42Å; S294-F297 WeakPolarHBondContact O-CB 3.32Å; S294-F297 PolarHBondContact O-N 2.85Å; F297-G299 VanDerWaalsContact C-N 3.35Å; F297-A300 WeakPolarHBondContact O-CB 3.39Å; F297-A300 PolarHBondContact O-N 3.4Å; F297-T301 PolarHBondContact O-N 2.92Å; F297-T301 PolarHBondContact O-OG1 2.97Å
298	I	96.2	Very high	92.2	Very high	95 Å²	95	40.2 Å²	40.2	49%	0.487	20%	0.202	S	C	.	.	H	α-helix	trans	-61.8	-46.4	175.5	-65.5	164.5	0	0	0	109.6	S294 L295 A300 T301 I302	S294-I298 WeakPolarHBondContact O-CG1 3.47Å; S294-I298 PolarHBondContact O-N 3.18Å; L295-I298 PolarHBondContact O-N 3.02Å; I298-A300 PolarHBondContact O-N 3.17Å; I298-T301 WeakPolarHBondContact O-CB 3.4Å; I298-T301 PolarHBondContact O-N 3.08Å; I298-I302 HydrophobicContact CG2-CD1 3.95Å; I298-I302 WeakPolarHBondContact O-CG1 3.19Å; I298-I302 PolarHBondContact O-N 3.42Å
299	G	93.8	Very high	90.9	Very high	4 Å²	4	46.6 Å²	46.6	4%	0.041	23%	0.229	C	C	.	.	H	α-helix	trans	-59	-41.9	175.4	0	0	0	0	0	113.6	I70 L295 V296 F297 T301 I302 L303	I70-G299 WeakPolarHBondContact CD1-O 3.48Å; L295-G299 PolarHBondContact O-N 3.36Å; V296-G299 CarbonylContact O-C 3.57Å; V296-G299 PolarHBondContact O-N 2.88Å; F297-G299 VanDerWaalsContact C-N 3.35Å; G299-T301 VanDerWaalsContact C-N 3.32Å; G299-T301 PolarHBondContact O-N 2.88Å; G299-I302 PolarHBondContact O-N 3.15Å; G299-L303 PolarHBondContact O-N 3.16Å
300	A	95.2	Very high	89.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.5	-42.9	176.4	0	0	0	0	0	111.6	S131 L134 F135 V296 F297 I298 L303 L304	S131-A300 WeakPolarHBondContact CB-O 3.3Å; S131-A300 PolarHBondContact OG-O 3.22Å; L134-A300 HydrophobicContact CB-CB 3.56Å; L134-A300 HydrophobicContact CD1-CB 4.33Å; F135-A300 HydrophobicContact CD1-CB 3.9Å; F135-A300 HydrophobicContact CD2-CB 4.19Å; F135-A300 HydrophobicContact CE1-CB 3.77Å; F135-A300 HydrophobicContact CE2-CB 4.07Å; F135-A300 HydrophobicContact CG-CB 4.11Å; F135-A300 HydrophobicContact CZ-CB 3.86Å; V296-A300 WeakPolarHBondContact O-CB 3.45Å; V296-A300 PolarHBondContact O-N 3.45Å; F297-A300 WeakPolarHBondContact O-CB 3.39Å; F297-A300 PolarHBondContact O-N 3.4Å; I298-A300 PolarHBondContact O-N 3.17Å; A300-L303 PolarHBondContact O-N 2.89Å; A300-L304 WeakPolarHBondContact O-CB 3.34Å; A300-L304 PolarHBondContact O-N 3.46Å
301	T	93.4	Very high	87.3	Confident	54 Å²	54	48.8 Å²	48.8	33%	0.331	24%	0.239	S	C	.	.	H	α-helix	trans	-65.3	-42	177.6	-55.2	0	0	0	0	111.4	F297 I298 G299 L304	F297-T301 PolarHBondContact O-N 2.92Å; F297-T301 PolarHBondContact O-OG1 2.97Å; I298-T301 WeakPolarHBondContact O-CB 3.4Å; I298-T301 PolarHBondContact O-N 3.08Å; G299-T301 VanDerWaalsContact C-N 3.32Å; G299-T301 PolarHBondContact O-N 2.88Å; T301-L304 WeakPolarHBondContact O-CB 3.38Å; T301-L304 PolarHBondContact O-N 2.57Å
302	I	89.8	Confident	85.2	Confident	83 Å²	83	50.5 Å²	50.5	43%	0.426	25%	0.245	S	C	.	.	H	α-helix	trans	-63.2	-46.2	175.5	-68.2	167	0	0	0	110.7	I298 G299 L304 M305 F306	I298-I302 HydrophobicContact CG2-CD1 3.95Å; I298-I302 WeakPolarHBondContact O-CG1 3.19Å; I298-I302 PolarHBondContact O-N 3.42Å; G299-I302 PolarHBondContact O-N 3.15Å; I302-L304 VanDerWaalsContact C-N 3.25Å; I302-L304 PolarHBondContact O-N 3.08Å; I302-M305 WeakPolarHBondContact O-CB 3.07Å; I302-M305 PolarHBondContact O-N 3.2Å; I302-M305 VanDerWaalsContact O-N 3.16Å; I302-F306 HydrophobicContact CG2-CE2 4.12Å; I302-F306 WeakPolarHBondContact O-CD2 3.43Å
303	L	87.8	Confident	82.8	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-29.7	178.6	-77.2	-175.5	0	0	0	113.2	F63 A66 I70 I130 S131 L134 G299 A300 M305 F306	F63-L303 HydrophobicContact CD2-CD2 3.93Å; F63-L303 HydrophobicContact CE2-CD2 3.91Å; A66-L303 HydrophobicContact CB-CD2 4.01Å; I70-L303 HydrophobicContact CD1-CD1 3.42Å; I70-L303 VanDerWaalsContact CD1-CD1 3.42Å; I70-L303 HydrophobicContact CD1-CD2 4.45Å; I70-L303 HydrophobicContact CD1-CG 3.6Å; I130-L303 HydrophobicContact CG2-CD1 3.65Å; S131-L303 VanDerWaalsContact OG-C 3.31Å; S131-L303 VanDerWaalsContact OG-CB 3.31Å; S131-L303 WeakPolarHBondContact OG-CB 3.43Å; L134-L303 HydrophobicContact CD1-CD1 3.69Å; G299-L303 PolarHBondContact O-N 3.16Å; A300-L303 PolarHBondContact O-N 2.89Å; L303-M305 PolarHBondContact O-N 2.93Å; L303-F306 HydrophobicContact CD2-CD2 4.13Å; L303-F306 HydrophobicContact CD2-CE2 4.2Å; L303-F306 PolarHBondContact O-N 3.4Å; L303-F306 VanDerWaalsContact O-N 3.13Å
304	L	89	Confident	80.1	Confident	51 Å²	51	62.3 Å²	62.3	27%	0.267	30%	0.302	S	S	.	.	H	α-helix	trans	-66.1	-24.6	178.5	-170	144	0	0	0	111.8	I46 S131 F135 A300 T301 I302 F306	I46-L304 HydrophobicContact CB-CD2 4.28Å; I46-L304 HydrophobicContact CD1-CD2 4.35Å; I46-L304 HydrophobicContact CG1-CD2 3.86Å; I46-L304 HydrophobicContact CG2-CD2 3.83Å; S131-L304 WeakPolarHBondContact OG-CA 3.5Å; S131-L304 PolarHBondContact OG-N 3.27Å; F135-L304 HydrophobicContact CE2-CD1 3.92Å; A300-L304 WeakPolarHBondContact O-CB 3.34Å; A300-L304 PolarHBondContact O-N 3.46Å; T301-L304 WeakPolarHBondContact O-CB 3.38Å; T301-L304 PolarHBondContact O-N 2.57Å; I302-L304 VanDerWaalsContact C-N 3.25Å; I302-L304 PolarHBondContact O-N 3.08Å; L304-F306 VanDerWaalsContact C-N 3.3Å; L304-F306 PolarHBondContact O-N 3.02Å
305	M	85.4	Confident	77.4	Confident	44 Å²	44	63.7 Å²	63.7	22%	0.217	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-16	176.8	-63.3	-174.4	140.2	0	0	113.7	C44 G45 I46 W49 L54 I302 L303	C44-M305 CarbonylContact C-O 3.59Å; C44-M305 WeakPolarHBondContact CA-O 3.19Å; C44-M305 WeakPolarHBondContact CB-O 3.46Å; G45-M305 PolarHBondContact N-O 2.95Å; I46-M305 HydrophobicContact CD1-CE 3.94Å; I46-M305 HydrophobicContact CD1-CG 4.31Å; I46-M305 HydrophobicContact CG1-CE 4.29Å; I46-M305 HydrophobicContact CG1-CG 4Å; W49-M305 HydrophobicContact CZ3-CE 4.3Å; L54-M305 HydrophobicContact CD1-CE 3.82Å; L54-M305 HydrophobicContact CD1-SD 3.91Å; I302-M305 WeakPolarHBondContact O-CB 3.07Å; I302-M305 PolarHBondContact O-N 3.2Å; I302-M305 VanDerWaalsContact O-N 3.16Å; L303-M305 PolarHBondContact O-N 2.93Å
306	F	83.6	Confident	74.5	Confident	16 Å²	16	65.3 Å²	65.3	7%	0.07	33%	0.325	C	S	.	.	S	Bend	trans	-75.3	139.5	-176.7	-78	-94.8	0	0	0	112.4	S57 A62 F63 P127 I302 L303 L304 L310	S57-F306 VanDerWaalsContact O-CE1 3.25Å; S57-F306 WeakPolarHBondContact O-CE1 3.44Å; A62-F306 HydrophobicContact CB-CE1 4.21Å; A62-F306 HydrophobicContact CB-CZ 4.12Å; F63-F306 HydrophobicContact CB-CD1 3.95Å; F63-F306 HydrophobicContact CB-CE1 3.68Å; F63-F306 HydrophobicContact CB-CZ 4.22Å; F63-F306 HydrophobicContact CD2-CD1 4.23Å; F63-F306 HydrophobicContact CD2-CG 4.22Å; P127-F306 HydrophobicContact CB-CB 4.16Å; P127-F306 HydrophobicContact CG-CB 4.33Å; I302-F306 HydrophobicContact CG2-CE2 4.12Å; I302-F306 WeakPolarHBondContact O-CD2 3.43Å; L303-F306 HydrophobicContact CD2-CD2 4.13Å; L303-F306 HydrophobicContact CD2-CE2 4.2Å; L303-F306 PolarHBondContact O-N 3.4Å; L303-F306 VanDerWaalsContact O-N 3.13Å; L304-F306 VanDerWaalsContact C-N 3.3Å; L304-F306 PolarHBondContact O-N 3.02Å; F306-L310 HydrophobicContact CD1-CD2 3.99Å
307	P	75.3	Confident	71.5	Confident	11 Å²	11	70.3 Å²	70.3	7%	0.071	35%	0.352	C	S	.	.			trans	-70.2	164	179.5	30.2	-36.4	0	0	0	112.8	S41 L42 K309	S41-P307 WeakPolarHBondContact O-CB 3.47Å; L42-P307 WeakPolarHBondContact O-CG 3.36Å; P307-K309 VanDerWaalsContact C-N 3.3Å; P307-K309 WeakPolarHBondContact CG-O 3.34Å; P307-K309 PolarHBondContact O-N 3.13Å
308	R	70.7	Confident	68.5	Low	144 Å²	144	71.5 Å²	71.5	54%	0.543	36%	0.359	S	S	.	.	S	Bend	trans	-63.2	-34.2	178.1	-174.2	-178.8	-169.4	179.8	1.9	112.9	H123 R125	H123-R308 PolarHBondContact O-NH2 2.96Å; R125-R308 HydrophobicContact CB-CG 4.42Å; R125-R308 HydrophobicContact CG-CB 4.15Å; R125-R308 HydrophobicContact CG-CG 3.92Å
309	K	68.5	Low	65.6	Low	133 Å²	133	73.3 Å²	73.3	58%	0.578	37%	0.369	S	S	*	.	S	Bend	trans	-118	124.2	174.5	-68.3	-175.5	177.6	-177.7	0	107.5	P307	P307-K309 VanDerWaalsContact C-N 3.3Å; P307-K309 WeakPolarHBondContact CG-O 3.34Å; P307-K309 PolarHBondContact O-N 3.13Å
310	L	66.5	Low	62.6	Low	5 Å²	5	81 Å²	81	3%	0.026	40%	0.402	C	S	.	.			trans	-73.6	147.9	170.7	-69.9	152.6	0	0	0	108.9	L60 F63 F223 H227 F306 E312	L60-L310 HydrophobicContact CD1-CD1 3.83Å; F63-L310 HydrophobicContact CB-CD1 4.37Å; F63-L310 HydrophobicContact CB-CD2 3.84Å; F63-L310 HydrophobicContact CD1-CD1 4.28Å; F63-L310 HydrophobicContact CG-CD1 4.25Å; F63-L310 HydrophobicContact CG-CD2 4.37Å; F223-L310 HydrophobicContact CD1-CD1 4.2Å; F223-L310 HydrophobicContact CE1-CD1 3.27Å; F223-L310 HydrophobicContact CE1-CG 4.19Å; F223-L310 HydrophobicContact CZ-CD1 3.56Å; F223-L310 HydrophobicContact CZ-CG 4.08Å; H227-L310 HydrophobicContact CB-CD1 4.45Å; F306-L310 HydrophobicContact CD1-CD2 3.99Å; L310-E312 PolarHBondContact O-N 3.22Å
311	Q	55	Low	59.4	Low	93 Å²	93	84.5 Å²	84.5	44%	0.435	43%	0.426	S	S	.	.	B	Isolated β-bridge	trans	-63	107.2	167.8	-85	178.2	-40.9	0	0	108.1	L42	L42-Q311 HydrophobicContact CB-CG 4.34Å; L42-Q311 HydrophobicContact CD2-CG 3.83Å
312	E	53.2	Low	56.3	Low	120 Å²	120	89.6 Å²	89.6	56%	0.561	44%	0.444	S	S	*	.			trans	-60.1	144	172.4	-162.3	172	-175.7	0	0	108.5	L310 I314	L310-E312 PolarHBondContact O-N 3.22Å; E312-I314 PolarHBondContact O-N 2.91Å
313	F	48.3	Very low	53.2	Low	100 Å²	100	94.8 Å²	94.8	44%	0.439	46%	0.463	S	S	.	.			trans	-59.5	96	163.3	-78.4	-87.9	0	0	0	106.7	L60 M61 C315	L60-F313 HydrophobicContact CD2-CD2 4.34Å; L60-F313 HydrophobicContact CD2-CE2 4.24Å; M61-F313 HydrophobicContact CE-CE2 3.71Å; M61-F313 HydrophobicContact CE-CZ 3.82Å; M61-F313 HydrophobicContact CG-CE2 4.37Å; M61-F313 HydrophobicContact CG-CZ 4.22Å; F313-C315 PolarHBondContact O-N 2.84Å
314	I	41.4	Very low	50.6	Low	152 Å²	152	103 Å²	103	78%	0.779	50%	0.499	S	S	*	.			trans	-60.3	99.5	162.3	-60.7	173.2	0	0	0	103.9	E312 C316	E312-I314 PolarHBondContact O-N 2.91Å; I314-C316 PolarHBondContact O-N 3.42Å
315	C	41	Very low	47.5	Very low	73 Å²	73	105.4 Å²	105.4	49%	0.493	52%	0.52	S	S	.	.			trans	-58.7	114.4	176.2	-162	0	0	0	0	106.4	F313 D317 Q318	F313-C315 PolarHBondContact O-N 2.84Å; C315-D317 PolarHBondContact O-N 3.34Å; C315-D317 PolarHBondContact SG-OD2 2.88Å; C315-D317 VanDerWaalsContact SG-OD2 3.35Å; C315-Q318 PolarHBondContact O-N 3.41Å
316	C	35.3	Very low	44.6	Very low	94 Å²	94	110.7 Å²	110.7	64%	0.635	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	3.1	172.8	-93.9	0	0	0	0	113.5	I314 Q318	I314-C316 PolarHBondContact O-N 3.42Å; C316-Q318 VanDerWaalsContact C-N 3.3Å; C316-Q318 PolarHBondContact O-N 2.83Å
317	D	35.9	Very low	41.8	Very low	105 Å²	105	117.9 Å²	117.9	56%	0.561	58%	0.579	S	S	*	*	H	α-helix	trans	-67.9	-24.3	169.9	-74.5	-18.6	0	0	0	113.7	C315 L319 K320 S321	C315-D317 PolarHBondContact O-N 3.34Å; C315-D317 PolarHBondContact SG-OD2 2.88Å; C315-D317 VanDerWaalsContact SG-OD2 3.35Å; D317-L319 VanDerWaalsContact C-N 3.33Å; D317-L319 PolarHBondContact O-N 3.5Å; D317-K320 PolarHBondContact O-N 3.39Å; D317-S321 VanDerWaalsContact O-CB 3.31Å; D317-S321 WeakPolarHBondContact O-CB 3.36Å; D317-S321 PolarHBondContact O-N 3.47Å
318	Q	33.7	Very low	39.4	Very low	124 Å²	124	122.2 Å²	122.2	58%	0.579	61%	0.609	S	S	*	*	H	α-helix	trans	-73	-25.4	178.2	-68	-63.7	-30.6	0	0	113.1	C315 C316 K322	C315-Q318 PolarHBondContact O-N 3.41Å; C316-Q318 VanDerWaalsContact C-N 3.3Å; C316-Q318 PolarHBondContact O-N 2.83Å; Q318-K322 PolarHBondContact O-N 3.41Å; Q318-K322 VanDerWaalsContact O-N 3.1Å
319	L	35.4	Very low	37.3	Very low	132 Å²	132	121.5 Å²	121.5	69%	0.691	62%	0.62	S	S	*	*	H	α-helix	trans	-79.9	-27.2	173.8	-76.8	167	0	0	0	112.5	D317	D317-L319 VanDerWaalsContact C-N 3.33Å; D317-L319 PolarHBondContact O-N 3.5Å
320	K	29.5	Very low	35.1	Very low	167 Å²	167	120.7 Å²	120.7	73%	0.726	63%	0.629	S	S	*	*	H	α-helix	trans	-75.7	-37.5	168.9	-75.4	-174.7	177.6	-179.2	0	112.1	D317 K323	D317-K320 PolarHBondContact O-N 3.39Å; K320-K323 PolarHBondContact O-N 3.23Å
321	S	29.6	Very low	33.1	Very low	73 Å²	73	127.6 Å²	127.6	51%	0.51	66%	0.664	S	S	.	*	H	α-helix	trans	-68.4	-36.5	178.1	166	0	0	0	0	113.4	D317	D317-S321 VanDerWaalsContact O-CB 3.31Å; D317-S321 WeakPolarHBondContact O-CB 3.36Å; D317-S321 PolarHBondContact O-N 3.47Å
322	K	27.3	Very low	31.6	Very low	161 Å²	161	130.2 Å²	130.2	70%	0.7	68%	0.681	S	S	*	*	H	α-helix	trans	-75.8	-21.6	177.3	-82.6	-175.1	175.3	-178.2	0	114.3	Q318	Q318-K322 PolarHBondContact O-N 3.41Å; Q318-K322 VanDerWaalsContact O-N 3.1Å
323	K	25.2	Very low	30.2	Very low	192 Å²	192	131.3 Å²	131.3	84%	0.835	69%	0.691	S	S	*	*	H	α-helix	trans	-81.1	-11.6	175	-84.9	-171.6	175.6	-175.3	0	114.5	K320	K320-K323 PolarHBondContact O-N 3.23Å
324	F	33.2	Very low	28.9	Very low	174 Å²	174	130.1 Å²	130.1	76%	0.763	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	11.8	178.1	-159.3	-103.8	0	0	0	114.6
325	S	24	Very low	27.9	Very low	100 Å²	100	129.3 Å²	129.3	70%	0.699	71%	0.713	S	S	*	*			trans	-135	52.5	170.9	-127	0	0	0	0	111.9
326	I	25.2	Very low	27.1	Very low	156 Å²	156	132.5 Å²	132.5	80%	0.8	73%	0.73	S	S	*	*			trans	-106.8	69	145.3	-54.9	177.1	0	0	0	105	S328	I326-S328 PolarHBondContact O-N 3.34Å
327	K	24.6	Very low	26.2	Very low	167 Å²	167	135.2 Å²	135.2	73%	0.726	74%	0.737	S	S	*	*			trans	-81.4	103.3	157.2	-87.6	-173.8	175.8	-176.7	0	105.6	V329	K327-V329 PolarHBondContact O-N 2.63Å
328	S	24.9	Very low	25.4	Very low	102 Å²	102	135 Å²	135	71%	0.713	74%	0.744	S	S	*	*			trans	0.3	104	155.6	53.1	0	0	0	0	114.7	I326 P330	I326-S328 PolarHBondContact O-N 3.34Å; S328-P330 WeakPolarHBondContact O-CD 3.4Å
329	V	24.9	Very low	24.7	Very low	128 Å²	128	137.6 Å²	137.6	78%	0.776	76%	0.756	S	S	*	*			trans	-78.5	117.9	157.8	175.7	0	0	0	0	105.9	K327 I331	K327-V329 PolarHBondContact O-N 2.63Å; V329-I331 PolarHBondContact O-N 3.02Å
330	P	24.1	Very low	24	Very low	116 Å²	116	135.6 Å²	135.6	75%	0.753	75%	0.753	S	S	*	*			trans	-68	117.5	172.8	26.1	-28.7	0	0	0	108.4	S328 N332	S328-P330 WeakPolarHBondContact O-CD 3.4Å; P330-N332 PolarHBondContact O-N 3.33Å
331	I	23.5	Very low	23.6	Very low	151 Å²	151	134 Å²	134	77%	0.774	76%	0.758	S	S	*	*			trans	-69.6	107.2	169.8	-60.9	168.4	0	0	0	106.2	V329	V329-I331 PolarHBondContact O-N 3.02Å
332	N	23.1	Very low	23.5	Very low	148 Å²	148	135.4 Å²	135.4	79%	0.791	77%	0.765	S	S	*	*			trans	-134.1	98.9	156.8	-100.6	-11	0	0	0	108.4	P330	P330-N332 PolarHBondContact O-N 3.33Å
333	N	24	Very low	23.1	Very low	143 Å²	143	135.1 Å²	135.1	77%	0.765	77%	0.768	S	S	*	*			trans	42.5	117.2	145.9	-59.4	-13.4	0	0	0	118.2
334	G	22.1	Very low	22.9	Very low	74 Å²	74	136.3 Å²	136.3	76%	0.763	77%	0.767	S	S	*	*			trans	-65.3	167.6	-176.6	0	0	0	0	0	114.7
335	C	20.3	Very low	22.6	Very low	136 Å²	136	133 Å²	133	92%	0.919	76%	0.763	S	S	*	*			trans	-145.8	143.4	152.7	-96.3	0	0	0	0	109.9
336	V	22.4	Very low	22.5	Very low	140 Å²	140	136.4 Å²	136.4	85%	0.848	77%	0.768	S	S	*	*			trans	-77.4	159.2	-172	166.4	0	0	0	0	110.8
337	L	18.4	Very low	22.4	Very low	151 Å²	151	135.2 Å²	135.2	79%	0.791	76%	0.763	S	S	*	*			trans	-26.5	145	163.6	-105	81.9	0	0	0	117.1
338	S	17.9	Very low	22.2	Very low	99 Å²	99	136.3 Å²	136.3	69%	0.692	77%	0.768	S	S	*	*			trans	73	120.5	140.8	-61	0	0	0	0	119.6
339	E	19.2	Very low	22.3	Very low	179 Å²	179	139.8 Å²	139.8	84%	0.836	77%	0.772	S	S	*	*				146.7	121	110.9	-160.3	133.8	-150.2	0	0	113.7
340	S	20.4	Very low	22.2	Very low	91 Å²	91	139.5 Å²	139.5	64%	0.636	77%	0.771	S	S	*	*			trans	37.2	117	150.1	65.5	0	0	0	0	124.2
341	T	21	Very low	22.1	Very low	134 Å²	134	141.3 Å²	141.3	82%	0.822	77%	0.774	S	S	*	*			trans	52.5	162.7	136.8	15.8	0	0	0	0	122.1
342	P	28	Very low	22	Very low	102 Å²	102	139.4 Å²	139.4	66%	0.662	78%	0.775	S	S	*	*			cis	-137.8	173.2	-11.2	40.2	-21.8	0	0	0	117.5
343	M	18.4	Very low	22.1	Very low	154 Å²	154	137.6 Å²	137.6	76%	0.759	77%	0.769	S	S	*	*			trans	62.1	147.3	154.2	-75	170.1	75.1	0	0	119
344	R	21.2	Very low	22.1	Very low	218 Å²	218	137.9 Å²	137.9	82%	0.823	77%	0.77	S	S	*	*			cis	-165.2	175.6	3.1	-121.5	-163.6	175.8	152	-2.1	107.4
345	P	26.9	Very low	22.1	Very low	104 Å²	104	142.9 Å²	142.9	68%	0.675	77%	0.773	S	S	*	*			trans	-103.5	158.2	-151.7	40.2	-37.6	0	0	0	116.2
346	H	22.9	Very low	22.3	Very low	171 Å²	171	142.2 Å²	142.2	79%	0.792	77%	0.765	S	S	*	*			trans	172.6	136.3	151.6	-100.5	-83.5	0	0	0	104.5
347	D	23.1	Very low	22.2	Very low	131 Å²	131	143.8 Å²	143.8	70%	0.701	76%	0.763	S	S	*	*			cis	-155.6	159	21.1	-101.1	-47.3	0	0	0	111.5
348	K	20.6	Very low	22.6	Very low	191 Å²	191	144.2 Å²	144.2	83%	0.83	76%	0.764	S	S	*	*			trans	-64.9	122.3	173.7	-65.3	163.3	175.9	173.4	0	110.6
349	H	25	Very low	22.9	Very low	174 Å²	174	144.5 Å²	144.5	81%	0.806	76%	0.762	S	S	*	*			trans	-132.5	96.5	148.9	-97	-74.3	0	0	0	109.9
350	T	22.8	Very low	23.2	Very low	123 Å²	123	140.9 Å²	140.9	76%	0.755	75%	0.754	S	S	*	*			trans	2.8	114.1	149.2	45	0	0	0	0	117.2	S352	T350-S352 PolarHBondContact O-N 3.26Å; T350-S352 VanDerWaalsContact O-N 3.16Å
351	N	22.6	Very low	23.5	Very low	153 Å²	153	144.1 Å²	144.1	82%	0.818	76%	0.764	S	S	*	*			trans	-61	104.2	159.1	-64.7	-27.7	0	0	0	109.6	T353	N351-T353 VanDerWaalsContact C-N 3.27Å; N351-T353 PolarHBondContact O-N 3.35Å; N351-T353 VanDerWaalsContact O-N 3.08Å
352	S	22.7	Very low	23.9	Very low	112 Å²	112	145.1 Å²	145.1	78%	0.783	76%	0.764	S	S	*	*			trans	-75.7	85.7	161.1	172.6	0	0	0	0	108.1	T350 L354	T350-S352 PolarHBondContact O-N 3.26Å; T350-S352 VanDerWaalsContact O-N 3.16Å; S352-L354 PolarHBondContact O-N 3.38Å
353	T	23.8	Very low	24	Very low	109 Å²	109	147 Å²	147	67%	0.669	77%	0.769	S	S	*	*			trans	-66	107.5	160.5	41.1	0	0	0	0	107.7	N351 E355	N351-T353 VanDerWaalsContact C-N 3.27Å; N351-T353 PolarHBondContact O-N 3.35Å; N351-T353 VanDerWaalsContact O-N 3.08Å; T353-E355 VanDerWaalsContact C-N 3.3Å; T353-E355 PolarHBondContact O-N 3.46Å
354	L	23.7	Very low	24.7	Very low	150 Å²	150	143.7 Å²	143.7	79%	0.785	76%	0.761	S	S	*	*			trans	-66.2	94.5	167.8	-164.8	82.8	0	0	0	107.4	S352 T356	S352-L354 PolarHBondContact O-N 3.38Å; L354-T356 PolarHBondContact O-N 3.23Å
355	E	22.6	Very low	25.1	Very low	179 Å²	179	141.6 Å²	141.6	84%	0.836	76%	0.76	S	S	*	*			trans	-60.8	104.3	168.1	-71.8	175.9	152.9	0	0	107.8	T353 E357	T353-E355 VanDerWaalsContact C-N 3.3Å; T353-E355 PolarHBondContact O-N 3.46Å; E355-E357 PolarHBondContact O-N 3.16Å
356	T	24.2	Very low	25.7	Very low	122 Å²	122	139 Å²	139	75%	0.748	74%	0.738	S	S	*	*			trans	-85.3	99.7	162.8	-18.4	0	0	0	0	105.8	L354 I358	L354-T356 PolarHBondContact O-N 3.23Å; T356-I358 PolarHBondContact O-N 3.49Å; T356-I358 VanDerWaalsContact O-N 3.09Å
357	E	21.8	Very low	26.4	Very low	173 Å²	173	135.8 Å²	135.8	81%	0.808	72%	0.723	S	S	*	*			trans	-57.7	107.3	173.6	-149.7	174.9	-169.9	0	0	108.7	E355 V359	E355-E357 PolarHBondContact O-N 3.16Å; E357-V359 VanDerWaalsContact C-N 3.33Å; E357-V359 PolarHBondContact O-N 3.11Å
358	I	26.9	Very low	27.1	Very low	159 Å²	159	131 Å²	131	82%	0.815	70%	0.7	S	S	*	*			trans	-77	90.5	173.2	-59.5	171.4	0	0	0	106.6	T356	T356-I358 PolarHBondContact O-N 3.49Å; T356-I358 VanDerWaalsContact O-N 3.09Å
359	V	23.8	Very low	28.1	Very low	105 Å²	105	124.2 Å²	124.2	64%	0.636	68%	0.675	S	S	*	*			trans	-66.3	126.5	160.4	179.5	0	0	0	0	106.9	E357 D361	E357-V359 VanDerWaalsContact C-N 3.33Å; E357-V359 PolarHBondContact O-N 3.11Å; V359-D361 PolarHBondContact O-N 2.94Å; V359-D361 VanDerWaalsContact O-N 3.08Å
360	P	25.5	Very low	28.7	Very low	103 Å²	103	123.6 Å²	123.6	67%	0.669	67%	0.666	S	S	*	*			trans	-72.4	108.1	-177.3	27.7	-30.8	0	0	0	109	N362	P360-N362 VanDerWaalsContact C-N 3.33Å; P360-N362 PolarHBondContact O-N 3.01Å
361	D	27	Very low	29.3	Very low	159 Å²	159	119.6 Å²	119.6	85%	0.85	64%	0.643	S	S	*	*			trans	-58.4	99.3	167.1	-88.9	-31.3	0	0	0	109	V359 D363	V359-D361 PolarHBondContact O-N 2.94Å; V359-D361 VanDerWaalsContact O-N 3.08Å; D361-D363 PolarHBondContact O-N 2.97Å
362	N	28.9	Very low	29.9	Very low	155 Å²	155	113.9 Å²	113.9	83%	0.829	61%	0.612	S	S	*	*			trans	-67.3	78.8	155.7	-92.7	-27.6	0	0	0	107.4	P360	P360-N362 VanDerWaalsContact C-N 3.33Å; P360-N362 PolarHBondContact O-N 3.01Å
363	D	29.2	Very low	30.9	Very low	143 Å²	143	112 Å²	112	77%	0.765	59%	0.59	S	S	*	*			trans	-154.6	110.1	149.6	-91.9	-35.7	0	0	0	109.1	D361 E365	D361-D363 PolarHBondContact O-N 2.97Å; D363-E365 PolarHBondContact O-N 2.63Å
364	S	33.1	Very low	31.5	Very low	84 Å²	84	110.7 Å²	110.7	59%	0.587	59%	0.585	S	S	*	*			trans	-72.9	78.6	169.8	13.8	0	0	0	0	107.2	R482	S364-R482 PolarHBondContact O-NH2 2.91Å; S364-R482 PolarHBondContact OG-NH2 2.94Å
365	E	30.5	Very low	31.9	Very low	173 Å²	173	106.7 Å²	106.7	81%	0.808	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-57.3	139	179.2	-166	174.1	-172.5	0	0	110.1	D363 Q367	D363-E365 PolarHBondContact O-N 2.63Å; E365-Q367 PolarHBondContact O-N 2.71Å
366	Y	38.7	Very low	32.5	Very low	50 Å²	50	101.7 Å²	101.7	20%	0.196	56%	0.555	C	S	.	*	P	Polyproline II helix	trans	-69	117	174.7	170.8	-87.4	0	0	0	109.7	S368 L476 N477 Q480	Y366-S368 VanDerWaalsContact CE1-CA 3.44Å; Y366-L476 PolarHBondContact OH-O 3.07Å; Y366-N477 WeakPolarHBondContact OH-CA 3.43Å; Y366-N477 PolarHBondContact OH-OD1 3.18Å; Y366-Q480 HydrophobicContact CD1-CG 4.45Å; Y366-Q480 VanDerWaalsContact CD2-CA 3.42Å; Y366-Q480 HydrophobicContact CD2-CB 3.43Å; Y366-Q480 VanDerWaalsContact CD2-CB 3.43Å; Y366-Q480 HydrophobicContact CD2-CG 4.14Å; Y366-Q480 WeakPolarHBondContact CD2-O 3.3Å; Y366-Q480 HydrophobicContact CE1-CG 4.48Å; Y366-Q480 HydrophobicContact CE2-CB 3.71Å; Y366-Q480 HydrophobicContact CE2-CG 4.21Å; Y366-Q480 HydrophobicContact CG-CB 3.86Å; Y366-Q480 HydrophobicContact CG-CG 4.22Å; Y366-Q480 VanDerWaalsContact CZ-CD 3.47Å
367	Q	38.6	Very low	32.9	Very low	103 Å²	103	103 Å²	103	48%	0.481	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-90.8	125	158.4	-81.5	162.7	-33.2	0	0	108.8	E365 D372 R642	E365-Q367 PolarHBondContact O-N 2.71Å; Q367-D372 VanDerWaalsContact CD-CG 3.44Å; Q367-D372 WeakPolarHBondContact CG-OD2 3.45Å; Q367-D372 PolarHBondContact NE2-OD1 2.63Å; Q367-D372 PolarHBondContact NE2-OD2 3.41Å; Q367-D372 PolarHBondContact OE1-OD2 3.18Å; Q367-D372 VanDerWaalsContact OE1-OD2 3.11Å; Q367-R642 PolarHBondContact O-NH2 3.41Å
368	S	37.2	Very low	33.2	Very low	31 Å²	31	105.1 Å²	105.1	22%	0.217	55%	0.546	C	S	.	.	P	Polyproline II helix	trans	-60	147.6	169.6	88.6	0	0	0	0	108.5	Y366 W370 S371	Y366-S368 VanDerWaalsContact CE1-CA 3.44Å; S368-W370 PolarHBondContact O-N 3.34Å; S368-W370 PolarHBondContact OG-N 3.22Å; S368-S371 PolarHBondContact N-OG 3.4Å; S368-S371 VanDerWaalsContact N-OG 3.14Å; S368-S371 PolarHBondContact O-N 2.85Å; S368-S371 VanDerWaalsContact O-N 3.08Å; S368-S371 PolarHBondContact O-OG 3.21Å; S368-S371 VanDerWaalsContact O-OG 3.04Å; S368-S371 VanDerWaalsContact OG-CB 3.29Å; S368-S371 WeakPolarHBondContact OG-CB 3.29Å; S368-S371 PolarHBondContact OG-N 3.03Å
369	P	40.9	Very low	33.3	Very low	48 Å²	48	101.6 Å²	101.6	31%	0.312	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-18.4	179.8	-27.2	35.5	0	0	0	114.3	L476 M638	P369-L476 HydrophobicContact CG-CD2 4.23Å; P369-M638 HydrophobicContact CG-CB 4.2Å; P369-M638 HydrophobicContact CG-CG 3.82Å
370	W	38.7	Very low	33.5	Very low	161 Å²	161	103.9 Å²	103.9	61%	0.61	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	-13.6	-176.9	-50.7	104.5	0	0	0	114	P234 S368 D372	P234-W370 HydrophobicContact CB-CE3 4.1Å; P234-W370 HydrophobicContact CB-CZ3 4.35Å; S368-W370 PolarHBondContact O-N 3.34Å; S368-W370 PolarHBondContact OG-N 3.22Å; W370-D372 PolarHBondContact O-N 3.24Å
371	S	35.8	Very low	33.6	Very low	39 Å²	39	109.6 Å²	109.6	27%	0.273	55%	0.548	S	S	.	.	G	3₁₀ helix	trans	-69.8	-36.1	-169.7	56.2	0	0	0	0	113.7	S368 F373 S374	S368-S371 PolarHBondContact N-OG 3.4Å; S368-S371 VanDerWaalsContact N-OG 3.14Å; S368-S371 PolarHBondContact O-N 2.85Å; S368-S371 VanDerWaalsContact O-N 3.08Å; S368-S371 PolarHBondContact O-OG 3.21Å; S368-S371 VanDerWaalsContact O-OG 3.04Å; S368-S371 VanDerWaalsContact OG-CB 3.29Å; S368-S371 WeakPolarHBondContact OG-CB 3.29Å; S368-S371 PolarHBondContact OG-N 3.03Å; S371-F373 VanDerWaalsContact C-N 3.27Å; S371-F373 PolarHBondContact O-N 2.99Å; S371-S374 WeakPolarHBondContact O-CB 3.49Å; S371-S374 PolarHBondContact O-N 3.46Å; S371-S374 PolarHBondContact O-OG 3.49Å
372	D	34.5	Very low	33.5	Very low	33 Å²	33	111.4 Å²	111.4	18%	0.176	55%	0.549	C	S	.	.	G	3₁₀ helix	trans	-82.2	-4.3	-175.6	-60.3	-35.1	0	0	0	114.5	Q367 W370 S374	Q367-D372 VanDerWaalsContact CD-CG 3.44Å; Q367-D372 WeakPolarHBondContact CG-OD2 3.45Å; Q367-D372 PolarHBondContact NE2-OD1 2.63Å; Q367-D372 PolarHBondContact NE2-OD2 3.41Å; Q367-D372 PolarHBondContact OE1-OD2 3.18Å; Q367-D372 VanDerWaalsContact OE1-OD2 3.11Å; W370-D372 PolarHBondContact O-N 3.24Å; D372-S374 PolarHBondContact O-N 3.41Å
373	F	43.1	Very low	33.4	Very low	74 Å²	74	108.4 Å²	108.4	33%	0.325	54%	0.54	S	S	.	.	G	3₁₀ helix	trans	-63.8	-19	165.9	-154.5	-106.1	0	0	0	111.2	D225 S230 A233 P234 S371	D225-F373 VanDerWaalsContact OD1-CZ 3.3Å; D225-F373 WeakPolarHBondContact OD1-CZ 3.32Å; S230-F373 VanDerWaalsContact CB-CE1 3.43Å; S230-F373 WeakPolarHBondContact O-CD1 3.22Å; S230-F373 WeakPolarHBondContact O-CE1 3.11Å; A233-F373 HydrophobicContact CB-CE1 4.45Å; P234-F373 HydrophobicContact CG-CD1 3.64Å; P234-F373 HydrophobicContact CG-CE1 3.94Å; P234-F373 HydrophobicContact CG-CG 4.26Å; S371-F373 VanDerWaalsContact C-N 3.27Å; S371-F373 PolarHBondContact O-N 2.99Å
374	S	37.6	Very low	33.1	Very low	81 Å²	81	112.8 Å²	112.8	57%	0.566	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-31.1	-179.7	77.8	0	0	0	0	115.3	S371 D372	S371-S374 WeakPolarHBondContact O-CB 3.49Å; S371-S374 PolarHBondContact O-N 3.46Å; S371-S374 PolarHBondContact O-OG 3.49Å; D372-S374 PolarHBondContact O-N 3.41Å
375	S	31	Very low	32.6	Very low	66 Å²	66	114.8 Å²	114.8	46%	0.462	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.9	-32.4	-164.4	64	0	0	0	0	114.8	R377 R378	S375-R377 PolarHBondContact O-N 3.05Å; S375-R378 PolarHBondContact O-N 3.16Å
376	S	35.4	Very low	32.5	Very low	74 Å²	74	111.5 Å²	111.5	52%	0.517	56%	0.556	S	S	.	*	H	α-helix	trans	-74.4	-29.7	-169.3	179.6	0	0	0	0	115.2	R378	S376-R378 VanDerWaalsContact C-N 3.33Å; S376-R378 PolarHBondContact O-N 3.47Å
377	R	32.9	Very low	31.7	Very low	148 Å²	148	116.1 Å²	116.1	56%	0.558	58%	0.584	S	S	*	*	H	α-helix	trans	-78.1	-14.4	176.7	-71.6	-167.9	-150.1	-178.7	11.2	114	S375	S375-R377 PolarHBondContact O-N 3.05Å
378	R	28.1	Very low	31.2	Very low	218 Å²	218	118.8 Å²	118.8	82%	0.823	60%	0.601	S	S	*	*	H	α-helix	trans	-75.4	-24.4	-178.2	-154	172.2	-170.5	163.9	1	112.5	S375 S376	S375-R378 PolarHBondContact O-N 3.16Å; S376-R378 VanDerWaalsContact C-N 3.33Å; S376-R378 PolarHBondContact O-N 3.47Å
379	S	28.7	Very low	30.6	Very low	86 Å²	86	126.3 Å²	126.3	60%	0.601	63%	0.633	S	S	*	*	H	α-helix	trans	-83.1	-36.8	177.3	76.9	0	0	0	0	113.2
380	Q	28.1	Very low	30.1	Very low	152 Å²	152	133.6 Å²	133.6	71%	0.71	66%	0.66	S	S	*	*	H	α-helix	trans	-78.4	-22.5	-178.2	-84.4	-173.1	-18.5	0	0	114.8	K382	Q380-K382 VanDerWaalsContact C-N 3.27Å; Q380-K382 PolarHBondContact O-N 3Å
381	R	26.7	Very low	29.4	Very low	224 Å²	224	134.1 Å²	134.1	85%	0.845	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-12.5	179.2	-126.2	175.4	-175.1	152	0.1	113.9
382	K	24.8	Very low	29.2	Very low	197 Å²	197	136.9 Å²	136.9	86%	0.857	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-7.5	179	-96.5	-174.4	175.2	-176.4	0	114.8	Q380	Q380-K382 VanDerWaalsContact C-N 3.27Å; Q380-K382 PolarHBondContact O-N 3Å
383	S	26.8	Very low	29.1	Very low	92 Å²	92	143.2 Å²	143.2	64%	0.643	72%	0.717	S	S	*	*	S	Bend	trans	-134.9	50.6	-175.3	49	0	0	0	0	113.1
384	R	23	Very low	28.7	Very low	234 Å²	234	145.2 Å²	145.2	88%	0.883	74%	0.738	S	S	*	*			trans	-161	59.5	158.7	-126.8	166.3	172.7	153.3	-3.7	112.6
385	S	24.4	Very low	28.8	Very low	127 Å²	127	147.8 Å²	147.8	89%	0.888	74%	0.744	S	S	*	*			trans	-98.7	76	155.1	-175.6	0	0	0	0	107.3
386	S	26.9	Very low	29.6	Very low	104 Å²	104	150.4 Å²	150.4	73%	0.727	75%	0.753	S	S	*	*			trans	-127.2	118.4	160.7	-172.2	0	0	0	0	106.3	N388	S386-N388 PolarHBondContact O-N 3.32Å
387	N	22.7	Very low	30.7	Very low	147 Å²	147	149.8 Å²	149.8	79%	0.786	75%	0.748	S	S	*	*			trans	-41.8	127.1	176.2	-70.3	-28.3	0	0	0	110.6
388	N	27.8	Very low	32.3	Very low	159 Å²	159	150.5 Å²	150.5	85%	0.85	76%	0.756	S	S	*	*			trans	-156.3	129.4	144.8	-92.7	-24.9	0	0	0	109.4	S386 F390	S386-N388 PolarHBondContact O-N 3.32Å; N388-F390 PolarHBondContact O-N 3.25Å; N388-F390 VanDerWaalsContact O-N 3.13Å
389	H	25.4	Very low	34.3	Very low	189 Å²	189	143.5 Å²	143.5	88%	0.875	74%	0.74	S	S	*	*			trans	-41.8	113.7	170.7	-89.2	-99.7	0	0	0	110.8	Q391	H389-Q391 PolarHBondContact O-N 2.88Å
390	F	29.2	Very low	36.4	Very low	200 Å²	200	141.8 Å²	141.8	88%	0.877	73%	0.726	S	S	*	*			trans	-77.6	79.7	169.2	-159.2	-94.5	0	0	0	108.1	N388 S392	N388-F390 PolarHBondContact O-N 3.25Å; N388-F390 VanDerWaalsContact O-N 3.13Å; F390-S392 PolarHBondContact O-N 2.88Å
391	Q	25.2	Very low	38.6	Very low	172 Å²	172	140.3 Å²	140.3	80%	0.804	71%	0.714	S	S	*	*			trans	-68.9	110.2	163.9	-157.2	162	10.1	0	0	106	H389 Q393	H389-Q391 PolarHBondContact O-N 2.88Å; Q391-Q393 VanDerWaalsContact C-N 3.31Å; Q391-Q393 PolarHBondContact O-N 2.92Å
392	S	31.7	Very low	41.2	Very low	98 Å²	98	134.1 Å²	134.1	69%	0.685	70%	0.698	S	S	*	*			trans	-62.7	92.1	176.5	53.2	0	0	0	0	109	F390	F390-S392 PolarHBondContact O-N 2.88Å
393	Q	31	Very low	43.7	Very low	165 Å²	165	126.5 Å²	126.5	77%	0.771	68%	0.675	S	S	*	*			trans	-61.7	132.7	165.1	-72.5	-179.2	-16.1	0	0	107.6	Q391 L395	Q391-Q393 VanDerWaalsContact C-N 3.31Å; Q391-Q393 PolarHBondContact O-N 2.92Å; Q393-L395 PolarHBondContact O-N 2.93Å; Q393-L395 VanDerWaalsContact O-N 3.11Å
394	P	35.7	Very low	46.4	Very low	117 Å²	117	126.8 Å²	126.8	76%	0.76	67%	0.665	S	S	*	*			trans	-60.2	119.1	173.4	24.6	-29.8	0	0	0	107.5	D396	P394-D396 PolarHBondContact O-N 3.48Å
395	L	39.6	Very low	49.4	Very low	134 Å²	134	119 Å²	119	70%	0.702	64%	0.644	S	S	*	*			trans	-57.7	113.7	176.2	-94.2	98.9	0	0	0	108.9	Q393 S397	Q393-L395 PolarHBondContact O-N 2.93Å; Q393-L395 VanDerWaalsContact O-N 3.11Å; L395-S397 PolarHBondContact O-N 3.25Å; L395-S397 VanDerWaalsContact O-N 3.09Å
396	D	48.1	Very low	52.4	Low	122 Å²	122	117.3 Å²	117.3	65%	0.652	63%	0.628	S	S	*	*			trans	-61.2	112.6	167.5	-81.8	-28.1	0	0	0	108.7	P394 K398 S399	P394-D396 PolarHBondContact O-N 3.48Å; D396-K398 PolarHBondContact O-N 2.85Å; D396-S399 PolarHBondContact O-N 3.45Å; D396-S399 PolarHBondContact O-OG 3.11Å
397	S	58.8	Low	55.3	Low	60 Å²	60	114 Å²	114	42%	0.42	60%	0.604	S	S	.	*	H	α-helix	trans	-48.8	-32.8	178.6	178.9	0	0	0	0	112.3	Y119 L395 S399 T400 W401	Y119-S397 PolarHBondContact OH-OG 3.16Å; L395-S397 PolarHBondContact O-N 3.25Å; L395-S397 VanDerWaalsContact O-N 3.09Å; S397-S399 PolarHBondContact O-N 2.91Å; S397-T400 PolarHBondContact O-N 2.56Å; S397-W401 PolarHBondContact O-N 3.06Å
398	K	65.6	Low	58.5	Low	164 Å²	164	108.5 Å²	108.5	71%	0.713	58%	0.575	S	S	*	*	H	α-helix	trans	-63.6	-37.5	178.4	-154	172.8	-173.2	177.6	0	113.3	D396 N402	D396-K398 PolarHBondContact O-N 2.85Å; K398-N402 WeakPolarHBondContact O-CB 3.41Å; K398-N402 PolarHBondContact O-N 3.12Å; K398-N402 PolarHBondContact O-ND2 3.48Å
399	S	69.7	Low	61.6	Low	71 Å²	71	110 Å²	110	50%	0.497	57%	0.569	S	S	.	*	H	α-helix	trans	-69.9	-37.1	176.6	65.1	0	0	0	0	111.6	D396 S397 N402 G403	D396-S399 PolarHBondContact O-N 3.45Å; D396-S399 PolarHBondContact O-OG 3.11Å; S397-S399 PolarHBondContact O-N 2.91Å; S399-N402 PolarHBondContact O-N 3.18Å; S399-G403 PolarHBondContact O-N 3.4Å
400	T	73.6	Confident	64.8	Low	50 Å²	50	103.8 Å²	103.8	31%	0.307	55%	0.546	S	S	.	.	H	α-helix	trans	-64.4	-45	176.4	-52.6	0	0	0	0	111.5	S397 G403 F404	S397-T400 PolarHBondContact O-N 2.56Å; T400-G403 PolarHBondContact O-N 2.8Å; T400-F404 WeakPolarHBondContact O-CB 3.46Å; T400-F404 PolarHBondContact O-N 2.95Å
401	W	74.7	Confident	67.8	Low	120 Å²	120	94.3 Å²	94.3	46%	0.455	51%	0.505	S	S	.	.	H	α-helix	trans	-64.8	-40.4	176	-82.3	107.5	0	0	0	112.9	Y119 S397 G403 F404 T405	Y119-W401 HydrophobicContact CD2-CZ2 4.45Å; Y119-W401 HydrophobicContact CE2-CZ2 4.25Å; Y119-W401 AromaticContact CZ-NE1 3.96Å; S397-W401 PolarHBondContact O-N 3.06Å; W401-G403 VanDerWaalsContact C-N 3.32Å; W401-G403 PolarHBondContact O-N 3.06Å; W401-F404 HydrophobicContact CE3-CD1 4.29Å; W401-F404 HydrophobicContact CZ3-CD1 4.29Å; W401-F404 HydrophobicContact CZ3-CE1 4.47Å; W401-F404 PolarHBondContact O-N 3.45Å; W401-T405 WeakPolarHBondContact O-CB 3.33Å; W401-T405 VanDerWaalsContact O-CG2 3.32Å; W401-T405 WeakPolarHBondContact O-CG2 3.44Å; W401-T405 PolarHBondContact O-N 3.32Å; W401-T405 PolarHBondContact O-OG1 3.42Å
402	N	79.8	Confident	71.1	Confident	95 Å²	95	90.9 Å²	90.9	51%	0.508	49%	0.491	S	S	.	.	H	α-helix	trans	-63.8	-39.1	174.1	-70.9	-9.1	0	0	0	111.6	K398 S399 T405 T406	K398-N402 WeakPolarHBondContact O-CB 3.41Å; K398-N402 PolarHBondContact O-N 3.12Å; K398-N402 PolarHBondContact O-ND2 3.48Å; S399-N402 PolarHBondContact O-N 3.18Å; N402-T405 WeakPolarHBondContact CA-OG1 3.45Å; N402-T405 PolarHBondContact O-OG1 3.19Å; N402-T405 VanDerWaalsContact O-OG1 3.06Å; N402-T406 WeakPolarHBondContact O-CB 3.18Å; N402-T406 PolarHBondContact O-N 3.4Å; N402-T406 PolarHBondContact O-OG1 2.92Å
403	G	78.9	Confident	74.1	Confident	37 Å²	37	96.2 Å²	96.2	38%	0.381	50%	0.496	S	S	.	.	H	α-helix	trans	-62.6	-48.8	173.9	0	0	0	0	0	112.2	S399 T400 W401 T406 V407	S399-G403 PolarHBondContact O-N 3.4Å; T400-G403 PolarHBondContact O-N 2.8Å; W401-G403 VanDerWaalsContact C-N 3.32Å; W401-G403 PolarHBondContact O-N 3.06Å; G403-T406 PolarHBondContact O-N 3.43Å; G403-V407 WeakPolarHBondContact O-CG2 3.35Å; G403-V407 PolarHBondContact O-N 3.2Å; G403-V407 VanDerWaalsContact O-N 3.08Å
404	F	82.8	Confident	77.2	Confident	97 Å²	97	90.5 Å²	90.5	43%	0.425	47%	0.471	S	S	.	.	H	α-helix	trans	-58.8	-50.9	178.3	176.3	-95.3	0	0	0	112.3	T400 W401 T406 V407 V408 F651	T400-F404 WeakPolarHBondContact O-CB 3.46Å; T400-F404 PolarHBondContact O-N 2.95Å; W401-F404 HydrophobicContact CE3-CD1 4.29Å; W401-F404 HydrophobicContact CZ3-CD1 4.29Å; W401-F404 HydrophobicContact CZ3-CE1 4.47Å; W401-F404 PolarHBondContact O-N 3.45Å; F404-T406 VanDerWaalsContact C-N 3.28Å; F404-T406 PolarHBondContact O-N 2.92Å; F404-V407 PolarHBondContact O-N 3.22Å; F404-V408 HydrophobicContact CD1-CG2 4.18Å; F404-V408 HydrophobicContact CE1-CG2 3.8Å; F404-V408 HydrophobicContact CE2-CG2 4.24Å; F404-V408 HydrophobicContact CZ-CG2 3.83Å; F404-V408 WeakPolarHBondContact O-CG2 3.36Å; F404-V408 PolarHBondContact O-N 3.49Å; F404-F651 HydrophobicContact CD2-CE2 4.02Å; F404-F651 HydrophobicContact CD2-CZ 4.06Å; F404-F651 AromaticContact CE2-CE2 3.51Å; F404-F651 HydrophobicContact CE2-CE2 3.51Å; F404-F651 AromaticContact CE2-CZ 3.56Å; F404-F651 HydrophobicContact CE2-CZ 3.56Å; F404-F651 HydrophobicContact CZ-CE2 4.41Å; F404-F651 HydrophobicContact CZ-CZ 4.13Å
405	T	85.9	Confident	80	Confident	72 Å²	72	91.4 Å²	91.4	44%	0.442	46%	0.463	S	S	.	.	H	α-helix	trans	-63.2	-34.7	179.9	52.1	0	0	0	0	112.2	W401 N402 R409	W401-T405 WeakPolarHBondContact O-CB 3.33Å; W401-T405 VanDerWaalsContact O-CG2 3.32Å; W401-T405 WeakPolarHBondContact O-CG2 3.44Å; W401-T405 PolarHBondContact O-N 3.32Å; W401-T405 PolarHBondContact O-OG1 3.42Å; N402-T405 WeakPolarHBondContact CA-OG1 3.45Å; N402-T405 PolarHBondContact O-OG1 3.19Å; N402-T405 VanDerWaalsContact O-OG1 3.06Å; T405-R409 WeakPolarHBondContact O-CB 3.43Å; T405-R409 PolarHBondContact O-N 2.86Å
406	T	87.9	Confident	82.6	Confident	91 Å²	91	85.7 Å²	85.7	56%	0.558	43%	0.433	S	S	*	.	H	α-helix	trans	-64.5	-45.4	175.1	-58.9	0	0	0	0	111.7	N402 G403 F404 R409 S410	N402-T406 WeakPolarHBondContact O-CB 3.18Å; N402-T406 PolarHBondContact O-N 3.4Å; N402-T406 PolarHBondContact O-OG1 2.92Å; G403-T406 PolarHBondContact O-N 3.43Å; F404-T406 VanDerWaalsContact C-N 3.28Å; F404-T406 PolarHBondContact O-N 2.92Å; T406-R409 PolarHBondContact O-N 2.96Å; T406-S410 WeakPolarHBondContact O-CB 2.98Å; T406-S410 PolarHBondContact O-N 2.97Å
407	V	87.7	Confident	84.9	Confident	35 Å²	35	79.9 Å²	79.9	21%	0.212	40%	0.402	C	S	.	.	H	α-helix	trans	-66	-46.2	178.1	177.2	0	0	0	0	111.1	G403 F404 R409 S410 L411 Q648 F651	G403-V407 WeakPolarHBondContact O-CG2 3.35Å; G403-V407 PolarHBondContact O-N 3.2Å; G403-V407 VanDerWaalsContact O-N 3.08Å; F404-V407 PolarHBondContact O-N 3.22Å; V407-R409 VanDerWaalsContact C-N 3.33Å; V407-R409 PolarHBondContact O-N 3.18Å; V407-S410 WeakPolarHBondContact O-CB 3.41Å; V407-S410 PolarHBondContact O-N 3.48Å; V407-L411 HydrophobicContact CG1-CD1 4.28Å; V407-L411 PolarHBondContact O-N 3.45Å; V407-Q648 HydrophobicContact CG1-CB 4.49Å; V407-Q648 HydrophobicContact CG1-CG 3.94Å; V407-F651 HydrophobicContact CB-CD1 4.46Å; V407-F651 HydrophobicContact CB-CE1 4.44Å; V407-F651 HydrophobicContact CG1-CD1 3.4Å; V407-F651 VanDerWaalsContact CG1-CD1 3.4Å; V407-F651 HydrophobicContact CG1-CE1 3.76Å; V407-F651 HydrophobicContact CG1-CG 4.24Å
408	V	90.3	Very high	86.7	Confident	30 Å²	30	79 Å²	79	18%	0.182	39%	0.392	C	S	.	.	H	α-helix	trans	-57	-47.5	175.7	171.7	0	0	0	0	110.8	F404 S410 L411 I412 F651	F404-V408 HydrophobicContact CD1-CG2 4.18Å; F404-V408 HydrophobicContact CE1-CG2 3.8Å; F404-V408 HydrophobicContact CE2-CG2 4.24Å; F404-V408 HydrophobicContact CZ-CG2 3.83Å; F404-V408 WeakPolarHBondContact O-CG2 3.36Å; F404-V408 PolarHBondContact O-N 3.49Å; V408-S410 VanDerWaalsContact C-N 3.33Å; V408-S410 PolarHBondContact O-N 2.99Å; V408-L411 PolarHBondContact O-N 3.38Å; V408-I412 HydrophobicContact CG1-CD1 3.59Å; V408-I412 HydrophobicContact CG1-CG1 4.36Å; V408-I412 WeakPolarHBondContact O-CG1 3.31Å; V408-I412 PolarHBondContact O-N 3.36Å; V408-F651 HydrophobicContact CG2-CE1 3.64Å; V408-F651 HydrophobicContact CG2-CZ 3.45Å; V408-F651 VanDerWaalsContact CG2-CZ 3.45Å
409	R	92.4	Very high	88.1	Confident	192 Å²	192	72.1 Å²	72.1	73%	0.725	36%	0.363	S	S	*	.	H	α-helix	trans	-63.6	-38.1	178.4	-175.2	176.1	-177.8	165.4	1.3	112.4	T405 T406 V407 R413	T405-R409 WeakPolarHBondContact O-CB 3.43Å; T405-R409 PolarHBondContact O-N 2.86Å; T406-R409 PolarHBondContact O-N 2.96Å; V407-R409 VanDerWaalsContact C-N 3.33Å; V407-R409 PolarHBondContact O-N 3.18Å; R409-R413 VanDerWaalsContact O-CB 3.3Å; R409-R413 WeakPolarHBondContact O-CB 3.39Å; R409-R413 PolarHBondContact O-N 2.95Å; R409-R413 VanDerWaalsContact O-N 3.09Å
410	S	92.6	Very high	89.4	Confident	57 Å²	57	68.7 Å²	68.7	40%	0.399	34%	0.339	S	S	.	.	H	α-helix	trans	-60.8	-48.6	175.3	-173	0	0	0	0	111.2	T406 V407 V408 R413 N414	T406-S410 WeakPolarHBondContact O-CB 2.98Å; T406-S410 PolarHBondContact O-N 2.97Å; V407-S410 WeakPolarHBondContact O-CB 3.41Å; V407-S410 PolarHBondContact O-N 3.48Å; V408-S410 VanDerWaalsContact C-N 3.33Å; V408-S410 PolarHBondContact O-N 2.99Å; S410-R413 PolarHBondContact O-N 3.32Å; S410-N414 PolarHBondContact O-N 2.94Å; S410-N414 VanDerWaalsContact O-N 3.14Å
411	L	92.8	Very high	90.5	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-65.9	-44.1	179.7	-70.9	175.5	0	0	0	112.7	V407 V408 R413 N414 Y417 V644 F651 A652 L655	V407-L411 HydrophobicContact CG1-CD1 4.28Å; V407-L411 PolarHBondContact O-N 3.45Å; V408-L411 PolarHBondContact O-N 3.38Å; L411-R413 PolarHBondContact O-N 3.36Å; L411-N414 WeakPolarHBondContact O-CB 3.25Å; L411-N414 PolarHBondContact O-N 3.39Å; L411-Y417 HydrophobicContact CB-CD1 4.18Å; L411-Y417 HydrophobicContact CB-CE1 4.05Å; L411-Y417 WeakPolarHBondContact O-CD1 3.3Å; L411-V644 HydrophobicContact CD2-CB 4.4Å; L411-V644 HydrophobicContact CD2-CG1 3.7Å; L411-V644 HydrophobicContact CD2-CG2 3.74Å; L411-F651 HydrophobicContact CD1-CD1 3.51Å; L411-F651 HydrophobicContact CD1-CE1 3.86Å; L411-A652 HydrophobicContact CD1-CB 3.86Å; L411-A652 HydrophobicContact CD2-CB 3.82Å; L411-L655 HydrophobicContact CB-CD2 3.98Å; L411-L655 HydrophobicContact CD1-CD2 3.86Å
412	I	94.1	Very high	91.5	Very high	100 Å²	100	64.5 Å²	64.5	51%	0.513	32%	0.32	S	S	.	.	H	α-helix	trans	-64.6	-30	178.2	-67.1	171.8	0	0	0	111.7	V408 N414 I418	V408-I412 HydrophobicContact CG1-CD1 3.59Å; V408-I412 HydrophobicContact CG1-CG1 4.36Å; V408-I412 WeakPolarHBondContact O-CG1 3.31Å; V408-I412 PolarHBondContact O-N 3.36Å; I412-N414 VanDerWaalsContact C-N 3.33Å; I412-I418 WeakPolarHBondContact O-CG1 3.33Å
413	R	94.9	Very high	92.3	Very high	210 Å²	210	60 Å²	60	79%	0.792	30%	0.295	S	S	*	.	H	α-helix	trans	-78.8	-18.2	175.7	-167.9	175.6	175.6	-170.7	-1.3	112.8	R409 S410 L411 K415	R409-R413 VanDerWaalsContact O-CB 3.3Å; R409-R413 WeakPolarHBondContact O-CB 3.39Å; R409-R413 PolarHBondContact O-N 2.95Å; R409-R413 VanDerWaalsContact O-N 3.09Å; S410-R413 PolarHBondContact O-N 3.32Å; L411-R413 PolarHBondContact O-N 3.36Å; R413-K415 PolarHBondContact O-N 3.34Å; R413-K415 VanDerWaalsContact O-N 3.14Å
414	N	94.6	Very high	93.1	Very high	44 Å²	44	59 Å²	59	24%	0.235	28%	0.281	C	S	.	.			trans	-74.5	103.7	177.1	-175.2	-20	0	0	0	110.6	S410 L411 I412 I416 Y417 I418 S643	S410-N414 PolarHBondContact O-N 2.94Å; S410-N414 VanDerWaalsContact O-N 3.14Å; L411-N414 WeakPolarHBondContact O-CB 3.25Å; L411-N414 PolarHBondContact O-N 3.39Å; I412-N414 VanDerWaalsContact C-N 3.33Å; N414-I416 VanDerWaalsContact C-N 3.32Å; N414-I416 PolarHBondContact O-N 3.05Å; N414-I416 PolarHBondContact OD1-N 3.43Å; N414-I416 VanDerWaalsContact OD1-N 3.16Å; N414-Y417 PolarHBondContact O-N 3.23Å; N414-Y417 PolarHBondContact OD1-N 3.15Å; N414-I418 PolarHBondContact O-N 3.49Å; N414-S643 PolarHBondContact ND2-O 2.85Å
415	K	95	Very high	93.8	Very high	136 Å²	136	54.8 Å²	54.8	59%	0.591	26%	0.264	S	S	*	.	H	α-helix	trans	-58.9	-39.9	-176.4	-61.7	-179.3	-177.8	-179.3	0	112.8	R413 M419 F726	R413-K415 PolarHBondContact O-N 3.34Å; R413-K415 VanDerWaalsContact O-N 3.14Å; K415-M419 VanDerWaalsContact O-CB 3.25Å; K415-M419 WeakPolarHBondContact O-CB 3.37Å; K415-M419 PolarHBondContact O-N 3.13Å; K415-F726 HydrophobicContact CB-CD2 4.34Å; K415-F726 HydrophobicContact CB-CE2 4.44Å; K415-F726 HydrophobicContact CB-CG 4.4Å; K415-F726 HydrophobicContact CD-CD1 4.26Å; K415-F726 HydrophobicContact CD-CE1 3.91Å; K415-F726 HydrophobicContact CD-CZ 4.24Å
416	I	95	Very high	94.3	Very high	15 Å²	15	51.6 Å²	51.6	8%	0.077	25%	0.245	C	C	.	.	H	α-helix	trans	-66.6	-45.4	-178.6	-62.6	167.6	0	0	0	109.6	N414 M419 A420 L723 F726 L727 D730	N414-I416 VanDerWaalsContact C-N 3.32Å; N414-I416 PolarHBondContact O-N 3.05Å; N414-I416 PolarHBondContact OD1-N 3.43Å; N414-I416 VanDerWaalsContact OD1-N 3.16Å; I416-M419 PolarHBondContact O-N 3.16Å; I416-A420 WeakPolarHBondContact O-CB 3.27Å; I416-A420 PolarHBondContact O-N 2.86Å; I416-L723 HydrophobicContact CG2-CD1 3.79Å; I416-L723 WeakPolarHBondContact O-CD1 3.32Å; I416-F726 HydrophobicContact CG1-CB 4.21Å; I416-L727 HydrophobicContact CD1-CD2 4.01Å; I416-L727 HydrophobicContact CG1-CD2 4.44Å; I416-L727 HydrophobicContact CG2-CD2 4.02Å; I416-D730 HydrophobicContact CD1-CB 4.28Å
417	Y	95.9	Very high	94.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.7	-49.3	179	171.8	-98.5	0	0	0	112.2	L411 N414 M419 A420 C421 T640 V644 A652 L655 Q656	L411-Y417 HydrophobicContact CB-CD1 4.18Å; L411-Y417 HydrophobicContact CB-CE1 4.05Å; L411-Y417 WeakPolarHBondContact O-CD1 3.3Å; N414-Y417 PolarHBondContact O-N 3.23Å; N414-Y417 PolarHBondContact OD1-N 3.15Å; Y417-M419 VanDerWaalsContact C-N 3.33Å; Y417-M419 PolarHBondContact O-N 2.77Å; Y417-A420 PolarHBondContact O-N 2.91Å; Y417-C421 PolarHBondContact O-N 2.88Å; Y417-C421 PolarHBondContact O-SG 3.35Å; Y417-T640 HydrophobicContact CD2-CG2 3.87Å; Y417-T640 HydrophobicContact CE2-CG2 3.99Å; Y417-V644 HydrophobicContact CD2-CG2 3.87Å; Y417-V644 HydrophobicContact CG-CG2 4.37Å; Y417-A652 HydrophobicContact CD2-CB 4.37Å; Y417-A652 HydrophobicContact CE2-CB 3.73Å; Y417-A652 WeakPolarHBondContact CE2-O 3.35Å; Y417-A652 PolarHBondContact OH-O 3.48Å; Y417-L655 HydrophobicContact CE1-CD2 4.15Å; Y417-L655 WeakPolarHBondContact OH-CB 3.44Å; Y417-Q656 HydrophobicContact CE2-CB 4.25Å; Y417-Q656 PolarHBondContact OH-N 2.94Å
418	I	96.1	Very high	95.1	Very high	40 Å²	40	47 Å²	47	21%	0.205	22%	0.215	C	C	.	.	H	α-helix	trans	-63.4	-40	178.5	-72.2	-56.7	0	0	0	111.6	I412 N414 A420 C421 F422 I659	I412-I418 WeakPolarHBondContact O-CG1 3.33Å; N414-I418 PolarHBondContact O-N 3.49Å; I418-A420 VanDerWaalsContact C-N 3.34Å; I418-A420 PolarHBondContact O-N 3.41Å; I418-C421 WeakPolarHBondContact O-CB 3.26Å; I418-C421 PolarHBondContact O-N 3.29Å; I418-C421 VanDerWaalsContact O-N 3.17Å; I418-F422 HydrophobicContact CG2-CD2 3.81Å; I418-F422 HydrophobicContact CG2-CE2 3.49Å; I418-F422 VanDerWaalsContact CG2-CE2 3.49Å; I418-F422 VanDerWaalsContact O-CD2 3.27Å; I418-F422 WeakPolarHBondContact O-CD2 3.38Å; I418-F422 PolarHBondContact O-N 2.87Å; I418-I659 HydrophobicContact CD1-CD1 4.46Å
419	M	95.9	Very high	95.4	Very high	20 Å²	20	46.9 Å²	46.9	10%	0.099	21%	0.212	C	C	.	.	H	α-helix	trans	-63.8	-41.2	176.4	-150	74.1	-152.2	0	0	112.1	K415 I416 Y417 C421 F422 C423 F719 F722 L723 F726	K415-M419 VanDerWaalsContact O-CB 3.25Å; K415-M419 WeakPolarHBondContact O-CB 3.37Å; K415-M419 PolarHBondContact O-N 3.13Å; I416-M419 PolarHBondContact O-N 3.16Å; Y417-M419 VanDerWaalsContact C-N 3.33Å; Y417-M419 PolarHBondContact O-N 2.77Å; M419-C421 VanDerWaalsContact C-N 3.3Å; M419-C421 PolarHBondContact O-N 2.94Å; M419-F422 PolarHBondContact O-N 3.37Å; M419-C423 PolarHBondContact O-N 3.19Å; M419-C423 PolarHBondContact O-SG 3.26Å; M419-F719 HydrophobicContact CE-CB 3.55Å; M419-F719 HydrophobicContact CE-CD1 3.2Å; M419-F719 HydrophobicContact CE-CE1 4.17Å; M419-F719 HydrophobicContact CE-CG 3.74Å; M419-F719 WeakPolarHBondContact CE-O 3.42Å; M419-F722 HydrophobicContact CE-CB 3.44Å; M419-F722 VanDerWaalsContact CE-CB 3.44Å; M419-F722 HydrophobicContact CE-CG 4.22Å; M419-F722 HydrophobicContact CG-CB 4.23Å; M419-F722 HydrophobicContact SD-CB 3.93Å; M419-L723 HydrophobicContact CB-CB 4.2Å; M419-L723 HydrophobicContact CB-CD1 4.04Å; M419-L723 HydrophobicContact CG-CB 3.82Å; M419-F726 HydrophobicContact SD-CE2 4.23Å
420	A	95.8	Very high	95.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.4	-37.2	173.8	0	0	0	0	0	112	I416 Y417 I418 C423 I424 L636 L723	I416-A420 WeakPolarHBondContact O-CB 3.27Å; I416-A420 PolarHBondContact O-N 2.86Å; Y417-A420 PolarHBondContact O-N 2.91Å; I418-A420 VanDerWaalsContact C-N 3.34Å; I418-A420 PolarHBondContact O-N 3.41Å; A420-C423 WeakPolarHBondContact O-CB 3.44Å; A420-C423 PolarHBondContact O-N 3.08Å; A420-I424 WeakPolarHBondContact O-CG1 3.2Å; A420-I424 PolarHBondContact O-N 3.28Å; A420-L636 HydrophobicContact CB-CD1 4.29Å; A420-L723 HydrophobicContact CB-CD1 4.47Å; A420-L723 HydrophobicContact CB-CD2 4.45Å
421	C	96.5	Very high	95.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.007	18%	0.175	C	C	.	.	H	α-helix	trans	-61.6	-45.7	173.8	-64.5	0	0	0	0	111.8	Y417 I418 M419 C423 I424 C425 I659	Y417-C421 PolarHBondContact O-N 2.88Å; Y417-C421 PolarHBondContact O-SG 3.35Å; I418-C421 WeakPolarHBondContact O-CB 3.26Å; I418-C421 PolarHBondContact O-N 3.29Å; I418-C421 VanDerWaalsContact O-N 3.17Å; M419-C421 VanDerWaalsContact C-N 3.3Å; M419-C421 PolarHBondContact O-N 2.94Å; C421-C423 PolarHBondContact O-N 3.45Å; C421-I424 PolarHBondContact O-N 2.91Å; C421-C425 PolarHBondContact O-N 2.99Å; C421-C425 PolarHBondContact O-SG 3Å; C421-I659 HydrophobicContact CB-CG2 4.15Å
422	F	96.4	Very high	95.9	Very high	80 Å²	80	38.8 Å²	38.8	35%	0.351	18%	0.181	S	C	.	.	H	α-helix	trans	-64	-37.8	176.5	-76	-62.8	0	0	0	113	I418 M419 C425 S426 F719	I418-F422 HydrophobicContact CG2-CD2 3.81Å; I418-F422 HydrophobicContact CG2-CE2 3.49Å; I418-F422 VanDerWaalsContact CG2-CE2 3.49Å; I418-F422 VanDerWaalsContact O-CD2 3.27Å; I418-F422 WeakPolarHBondContact O-CD2 3.38Å; I418-F422 PolarHBondContact O-N 2.87Å; M419-F422 PolarHBondContact O-N 3.37Å; F422-C425 PolarHBondContact O-N 3.45Å; F422-S426 PolarHBondContact O-N 3.03Å; F422-F719 HydrophobicContact CB-CD1 4.46Å; F422-F719 HydrophobicContact CB-CD2 3.83Å; F422-F719 HydrophobicContact CB-CE2 4.03Å; F422-F719 HydrophobicContact CB-CG 4.05Å; F422-F719 HydrophobicContact CB-CZ 4.39Å
423	C	96.8	Very high	95.9	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-56.3	-53	171.1	-68.2	0	0	0	0	111	M419 A420 C421 C425 S426 E427 L636 Y720	M419-C423 PolarHBondContact O-N 3.19Å; M419-C423 PolarHBondContact O-SG 3.26Å; A420-C423 WeakPolarHBondContact O-CB 3.44Å; A420-C423 PolarHBondContact O-N 3.08Å; C421-C423 PolarHBondContact O-N 3.45Å; C423-C425 VanDerWaalsContact C-N 3.31Å; C423-C425 PolarHBondContact O-N 3.18Å; C423-S426 PolarHBondContact O-N 3.33Å; C423-S426 PolarHBondContact O-OG 3.02Å; C423-E427 WeakPolarHBondContact O-CG 3.42Å; C423-E427 PolarHBondContact O-N 3.33Å; C423-L636 HydrophobicContact CB-CD1 4.49Å; C423-L636 HydrophobicContact CB-CD2 4.25Å; C423-Y720 HydrophobicContact CB-CD1 4.1Å; C423-Y720 HydrophobicContact CB-CE1 3.65Å; C423-Y720 HydrophobicContact CB-CE2 4.22Å; C423-Y720 VanDerWaalsContact SG-CD1 3.54Å
424	I	96.2	Very high	96	Very high	16 Å²	16	25.6 Å²	25.6	8%	0.082	13%	0.125	C	C	.	.	H	α-helix	trans	-62.2	-38.6	178.5	-61.7	177.4	0	0	0	111.4	A420 C421 S426 E427 M428 L636 Q656 V660	A420-I424 WeakPolarHBondContact O-CG1 3.2Å; A420-I424 PolarHBondContact O-N 3.28Å; C421-I424 PolarHBondContact O-N 2.91Å; I424-S426 VanDerWaalsContact C-N 3.35Å; I424-S426 PolarHBondContact O-N 2.8Å; I424-E427 PolarHBondContact O-N 3.45Å; I424-M428 HydrophobicContact CG2-CG 3.8Å; I424-M428 WeakPolarHBondContact O-CB 3.43Å; I424-M428 VanDerWaalsContact O-CG 3.3Å; I424-M428 WeakPolarHBondContact O-CG 3.34Å; I424-M428 PolarHBondContact O-N 3.2Å; I424-L636 HydrophobicContact CD1-CD2 4.18Å; I424-L636 HydrophobicContact CD1-CG 4.16Å; I424-L636 HydrophobicContact CG1-CD2 3.33Å; I424-L636 HydrophobicContact CG1-CG 3.82Å; I424-Q656 VanDerWaalsContact CD1-CD 3.44Å; I424-Q656 HydrophobicContact CD1-CG 4.17Å; I424-V660 HydrophobicContact CB-CG2 4.08Å; I424-V660 HydrophobicContact CG2-CG1 4.4Å; I424-V660 HydrophobicContact CG2-CG2 3.57Å
425	C	97.2	Very high	95.9	Very high	9 Å²	9	25 Å²	25	6%	0.061	13%	0.127	C	C	.	.	H	α-helix	trans	-59.9	-45.2	176.8	-67.5	0	0	0	0	111.3	C421 F422 C423 E427 M428 F429 F663 A664	C421-C425 PolarHBondContact O-N 2.99Å; C421-C425 PolarHBondContact O-SG 3Å; F422-C425 PolarHBondContact O-N 3.45Å; C423-C425 VanDerWaalsContact C-N 3.31Å; C423-C425 PolarHBondContact O-N 3.18Å; C425-E427 VanDerWaalsContact C-N 3.33Å; C425-E427 PolarHBondContact O-N 3.41Å; C425-M428 PolarHBondContact O-N 3Å; C425-F429 WeakPolarHBondContact O-CB 3.29Å; C425-F429 PolarHBondContact O-N 3.42Å; C425-F663 HydrophobicContact CB-CB 4.49Å; C425-A664 WeakPolarHBondContact O-CB 3.4Å
426	S	96.5	Very high	95.9	Very high	6 Å²	6	19.1 Å²	19.1	4%	0.042	10%	0.103	C	C	.	.	H	α-helix	trans	-62.9	-37.8	178.3	69.3	0	0	0	0	112.9	F422 C423 I424 V712 G716	F422-S426 PolarHBondContact O-N 3.03Å; C423-S426 PolarHBondContact O-N 3.33Å; C423-S426 PolarHBondContact O-OG 3.02Å; I424-S426 VanDerWaalsContact C-N 3.35Å; I424-S426 PolarHBondContact O-N 2.8Å; S426-V712 WeakPolarHBondContact O-CG1 3.03Å; S426-G716 WeakPolarHBondContact OG-CA 3.33Å
427	E	96	Very high	96	Very high	3 Å²	3	18.6 Å²	18.6	1%	0.014	10%	0.1	C	C	.	.	H	α-helix	trans	-65.8	-53.8	174.8	-66.5	-61.7	146.9	0	0	111.4	C423 I424 C425 F429 I430 V431 N494 K713 Y720	C423-E427 WeakPolarHBondContact O-CG 3.42Å; C423-E427 PolarHBondContact O-N 3.33Å; I424-E427 PolarHBondContact O-N 3.45Å; C425-E427 VanDerWaalsContact C-N 3.33Å; C425-E427 PolarHBondContact O-N 3.41Å; E427-F429 VanDerWaalsContact C-N 3.29Å; E427-F429 PolarHBondContact O-N 3.5Å; E427-I430 PolarHBondContact O-N 2.97Å; E427-V431 WeakPolarHBondContact O-CG2 3.26Å; E427-V431 PolarHBondContact O-N 3.37Å; E427-V431 VanDerWaalsContact O-N 3.11Å; E427-N494 PolarHBondContact OE1-OD1 2.9Å; E427-K713 IonicContact OE1-NZ 3.22Å; E427-K713 PolarHBondContact OE1-NZ 3.45Å; E427-K713 IonicContact OE2-NZ 3.64Å; E427-K713 PolarHBondContact OE2-NZ 3.23Å; E427-Y720 PolarHBondContact OE1-OH 2.99Å
428	M	95.6	Very high	96	Very high	26 Å²	26	18.8 Å²	18.8	13%	0.128	10%	0.101	C	C	.	.	H	α-helix	trans	-67.5	-31.1	-175.4	-71	-68	148	0	0	112	I424 C425 I430 V431 V432 V660 A664 Y665	I424-M428 HydrophobicContact CG2-CG 3.8Å; I424-M428 WeakPolarHBondContact O-CB 3.43Å; I424-M428 VanDerWaalsContact O-CG 3.3Å; I424-M428 WeakPolarHBondContact O-CG 3.34Å; I424-M428 PolarHBondContact O-N 3.2Å; C425-M428 PolarHBondContact O-N 3Å; M428-I430 VanDerWaalsContact C-N 3.3Å; M428-I430 PolarHBondContact O-N 3.44Å; M428-V431 PolarHBondContact O-N 2.9Å; M428-V432 VanDerWaalsContact O-CB 3.24Å; M428-V432 WeakPolarHBondContact O-CB 3.24Å; M428-V432 WeakPolarHBondContact O-CG2 3.22Å; M428-V432 PolarHBondContact O-N 3.22Å; M428-V660 HydrophobicContact CB-CG1 3.92Å; M428-V660 HydrophobicContact CG-CG1 3.86Å; M428-A664 HydrophobicContact CB-CB 3.85Å; M428-Y665 HydrophobicContact CB-CE2 4Å; M428-Y665 HydrophobicContact CG-CE2 4.24Å; M428-Y665 HydrophobicContact SD-CE2 4.23Å
429	F	97.9	Very high	96	Very high	27 Å²	27	17.1 Å²	17.1	12%	0.118	9%	0.093	C	C	.	.	H	α-helix	trans	-58.2	-46.1	176.6	-173.7	-78.6	0	0	0	110.3	C425 E427 G433 A664 P667 S668 V671 Y672 V712	C425-F429 WeakPolarHBondContact O-CB 3.29Å; C425-F429 PolarHBondContact O-N 3.42Å; E427-F429 VanDerWaalsContact C-N 3.29Å; E427-F429 PolarHBondContact O-N 3.5Å; F429-G433 PolarHBondContact O-N 3.29Å; F429-G433 VanDerWaalsContact O-N 3.16Å; F429-A664 HydrophobicContact CB-CB 4.07Å; F429-P667 HydrophobicContact CD2-CG 4.27Å; F429-P667 HydrophobicContact CE2-CB 4.13Å; F429-P667 HydrophobicContact CE2-CG 3.95Å; F429-S668 WeakPolarHBondContact O-CB 3.42Å; F429-S668 PolarHBondContact O-OG 3.45Å; F429-V671 HydrophobicContact CZ-CB 3.96Å; F429-V671 HydrophobicContact CZ-CG1 4.15Å; F429-V671 HydrophobicContact CZ-CG2 4.04Å; F429-Y672 HydrophobicContact CD1-CE2 4.32Å; F429-Y672 HydrophobicContact CE1-CD2 4.46Å; F429-Y672 HydrophobicContact CE1-CE2 4.03Å; F429-V712 HydrophobicContact CB-CG1 4.3Å; F429-V712 HydrophobicContact CD1-CG1 4.12Å; F429-V712 HydrophobicContact CD1-CG2 3.96Å; F429-V712 HydrophobicContact CE1-CG2 4.07Å; F429-V712 HydrophobicContact CG-CG1 4.45Å
430	I	96.6	Very high	95.9	Very high	17 Å²	17	16.3 Å²	16.3	9%	0.087	9%	0.089	C	C	.	.	H	α-helix	trans	-70.2	-48.8	179.1	-61.3	174.2	0	0	0	110.5	E427 M428 V432 F434 G709 V712 K713	E427-I430 PolarHBondContact O-N 2.97Å; M428-I430 VanDerWaalsContact C-N 3.3Å; M428-I430 PolarHBondContact O-N 3.44Å; I430-V432 PolarHBondContact O-N 2.96Å; I430-F434 WeakPolarHBondContact O-CB 3.35Å; I430-F434 PolarHBondContact O-N 3.49Å; I430-G709 WeakPolarHBondContact CD1-O 3.33Å; I430-V712 HydrophobicContact CD1-CB 3.9Å; I430-V712 HydrophobicContact CD1-CG1 3.82Å; I430-V712 HydrophobicContact CG1-CB 3.92Å; I430-V712 HydrophobicContact CG1-CG1 3.66Å; I430-K713 HydrophobicContact CD1-CB 4.33Å; I430-K713 HydrophobicContact CD1-CD 3.8Å; I430-K713 HydrophobicContact CD1-CG 3.47Å; I430-K713 VanDerWaalsContact CD1-CG 3.47Å
431	V	95.4	Very high	95.9	Very high	43 Å²	43	16.5 Å²	16.5	26%	0.261	9%	0.089	S	C	.	.	H	α-helix	trans	-59.6	-49.2	-176.8	173.6	0	0	0	0	110.9	E427 M428 A435 L626 T629	E427-V431 WeakPolarHBondContact O-CG2 3.26Å; E427-V431 PolarHBondContact O-N 3.37Å; E427-V431 VanDerWaalsContact O-N 3.11Å; M428-V431 PolarHBondContact O-N 2.9Å; V431-A435 WeakPolarHBondContact O-CB 3.32Å; V431-A435 PolarHBondContact O-N 2.94Å; V431-L626 HydrophobicContact CG1-CD1 4.46Å; V431-L626 HydrophobicContact CG2-CD1 4.46Å; V431-T629 HydrophobicContact CG2-CG2 3.81Å
432	V	95.1	Very high	95.9	Very high	22 Å²	22	16.5 Å²	16.5	13%	0.133	9%	0.089	C	C	.	.	H	α-helix	trans	-68.3	-46.2	-177	175	0	0	0	0	111.5	M428 I430 S436 Y665 P669	M428-V432 VanDerWaalsContact O-CB 3.24Å; M428-V432 WeakPolarHBondContact O-CB 3.24Å; M428-V432 WeakPolarHBondContact O-CG2 3.22Å; M428-V432 PolarHBondContact O-N 3.22Å; I430-V432 PolarHBondContact O-N 2.96Å; V432-S436 WeakPolarHBondContact O-CB 3.39Å; V432-S436 PolarHBondContact O-N 3.35Å; V432-S436 PolarHBondContact O-OG 3.3Å; V432-Y665 HydrophobicContact CG1-CD1 4.21Å; V432-Y665 HydrophobicContact CG1-CG 4.34Å; V432-Y665 HydrophobicContact CG2-CD1 3.89Å; V432-Y665 HydrophobicContact CG2-CD2 3.92Å; V432-Y665 HydrophobicContact CG2-CE1 3.69Å; V432-Y665 HydrophobicContact CG2-CE2 3.68Å; V432-Y665 HydrophobicContact CG2-CG 3.99Å; V432-P669 HydrophobicContact CG1-CG 4.44Å
433	G	95.6	Very high	95.7	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-66.1	-47	-177.9	0	0	0	0	0	112.6	F429 S436 S668	F429-G433 PolarHBondContact O-N 3.29Å; F429-G433 VanDerWaalsContact O-N 3.16Å; G433-S436 PolarHBondContact O-N 3.38Å; G433-S668 WeakPolarHBondContact CA-OG 3.17Å; G433-S668 PolarHBondContact N-OG 3.42Å
434	F	95.5	Very high	95.4	Very high	32 Å²	32	15 Å²	15	14%	0.14	8%	0.084	C	C	.	.	H	α-helix	trans	-68	-42.8	177.9	-168.5	-115.3	0	0	0	111.4	I430 S436 F437 L438 Y441 F618 L622 Y672 I705	I430-F434 WeakPolarHBondContact O-CB 3.35Å; I430-F434 PolarHBondContact O-N 3.49Å; F434-S436 VanDerWaalsContact C-N 3.3Å; F434-S436 PolarHBondContact O-N 2.81Å; F434-F437 CarbonylContact O-C 3.48Å; F434-F437 PolarHBondContact O-N 3.34Å; F434-L438 HydrophobicContact CD1-CD1 4.37Å; F434-L438 HydrophobicContact CE1-CD1 3.58Å; F434-L438 HydrophobicContact CZ-CD1 3.73Å; F434-L438 WeakPolarHBondContact O-CA 3.34Å; F434-L438 VanDerWaalsContact O-CB 3.26Å; F434-L438 WeakPolarHBondContact O-CB 3.44Å; F434-L438 PolarHBondContact O-N 2.9Å; F434-Y441 HydrophobicContact CE2-CD1 4.15Å; F434-Y441 HydrophobicContact CE2-CD2 4.45Å; F434-Y441 HydrophobicContact CE2-CG 4.09Å; F434-Y441 HydrophobicContact CZ-CD1 4.04Å; F434-Y441 HydrophobicContact CZ-CE1 4.34Å; F434-Y441 HydrophobicContact CZ-CG 4.43Å; F434-F618 HydrophobicContact CZ-CZ 4.31Å; F434-L622 HydrophobicContact CD1-CD1 4.31Å; F434-L622 HydrophobicContact CE1-CD1 3.62Å; F434-L622 HydrophobicContact CE1-CD2 3.7Å; F434-L622 HydrophobicContact CE1-CG 4.31Å; F434-L622 HydrophobicContact CZ-CD2 4.23Å; F434-Y672 HydrophobicContact CB-CE1 4.01Å; F434-Y672 HydrophobicContact CD2-CE1 4.17Å; F434-I705 HydrophobicContact CD2-CG2 4.01Å; F434-I705 HydrophobicContact CE2-CG2 3.98Å
435	A	93.9	Very high	95.1	Very high	32 Å²	32	14.3 Å²	14.3	26%	0.264	8%	0.08	S	C	.	.	H	α-helix	trans	-61.3	-36.7	177.1	0	0	0	0	0	113	V431 F437 L438	V431-A435 WeakPolarHBondContact O-CB 3.32Å; V431-A435 PolarHBondContact O-N 2.94Å; A435-F437 PolarHBondContact O-N 3.5Å; A435-L438 PolarHBondContact O-N 3.31Å
436	S	94.6	Very high	94.9	Very high	13 Å²	13	14.4 Å²	14.4	9%	0.091	8%	0.08	C	C	.	.	H	α-helix	trans	-62.8	-29.2	179	-61.1	0	0	0	0	113.1	V432 G433 F434	V432-S436 WeakPolarHBondContact O-CB 3.39Å; V432-S436 PolarHBondContact O-N 3.35Å; V432-S436 PolarHBondContact O-OG 3.3Å; G433-S436 PolarHBondContact O-N 3.38Å; F434-S436 VanDerWaalsContact C-N 3.3Å; F434-S436 PolarHBondContact O-N 2.81Å
437	F	96.8	Very high	94.5	Very high	3 Å²	3	17.4 Å²	17.4	1%	0.013	9%	0.09	C	C	.	.	H	α-helix	trans	-119.1	10.3	-178.1	-66.1	-80.4	0	0	0	113.4	V85 I99 F434 A435 K440 Y441 P669 I676	V85-F437 HydrophobicContact CG1-CD1 3.95Å; V85-F437 HydrophobicContact CG1-CE1 3.94Å; I99-F437 HydrophobicContact CG2-CE1 4.24Å; I99-F437 HydrophobicContact CG2-CZ 4.46Å; F434-F437 CarbonylContact O-C 3.48Å; F434-F437 PolarHBondContact O-N 3.34Å; A435-F437 PolarHBondContact O-N 3.5Å; F437-K440 HydrophobicContact CD1-CD 4.25Å; F437-K440 WeakPolarHBondContact O-CB 3.36Å; F437-K440 PolarHBondContact O-N 2.85Å; F437-Y441 PolarHBondContact O-N 3.47Å; F437-P669 HydrophobicContact CE2-CB 4.28Å; F437-P669 VanDerWaalsContact CE2-O 3.28Å; F437-P669 WeakPolarHBondContact CE2-O 3.49Å; F437-I676 HydrophobicContact CB-CD1 3.54Å; F437-I676 HydrophobicContact CD1-CD1 3.76Å; F437-I676 HydrophobicContact CD2-CD1 4.26Å; F437-I676 HydrophobicContact CG-CD1 3.59Å
438	L	95.7	Very high	94.2	Very high	5 Å²	5	18.9 Å²	18.9	3%	0.026	10%	0.098	C	C	.	.	H	α-helix	trans	-61.3	-47.1	-175.8	172.1	61.4	0	0	0	112.5	F434 A435 K440 Y441 L442 A457 I461 L622	F434-L438 HydrophobicContact CD1-CD1 4.37Å; F434-L438 HydrophobicContact CE1-CD1 3.58Å; F434-L438 HydrophobicContact CZ-CD1 3.73Å; F434-L438 WeakPolarHBondContact O-CA 3.34Å; F434-L438 VanDerWaalsContact O-CB 3.26Å; F434-L438 WeakPolarHBondContact O-CB 3.44Å; F434-L438 PolarHBondContact O-N 2.9Å; A435-L438 PolarHBondContact O-N 3.31Å; L438-K440 VanDerWaalsContact C-N 3.27Å; L438-K440 PolarHBondContact O-N 3.47Å; L438-Y441 PolarHBondContact O-N 3.48Å; L438-L442 HydrophobicContact CD1-CD1 4.14Å; L438-L442 HydrophobicContact CD1-CG 4.03Å; L438-L442 HydrophobicContact CG-CD1 4.33Å; L438-L442 WeakPolarHBondContact O-CG 3.36Å; L438-L442 PolarHBondContact O-N 3.23Å; L438-A457 HydrophobicContact CD2-CB 3.68Å; L438-A457 HydrophobicContact CG-CB 3.88Å; L438-I461 HydrophobicContact CD1-CD1 4.47Å; L438-I461 HydrophobicContact CD2-CB 4.44Å; L438-I461 HydrophobicContact CD2-CD1 3.88Å; L438-I461 HydrophobicContact CD2-CG2 4.05Å; L438-L622 HydrophobicContact CD1-CD2 3.81Å
439	P	95.6	Very high	93.9	Very high	4 Å²	4	19.7 Å²	19.7	3%	0.026	10%	0.103	C	C	.	.	H	α-helix	trans	-59.5	-40.8	176.1	-22.3	33.1	0	0	0	112	F252 L442 E443 S453 A457	F252-P439 HydrophobicContact CD1-CG 4.23Å; F252-P439 HydrophobicContact CE1-CG 3.57Å; P439-L442 PolarHBondContact O-N 3.1Å; P439-E443 WeakPolarHBondContact O-CB 3.39Å; P439-E443 PolarHBondContact O-N 2.93Å; P439-S453 WeakPolarHBondContact O-CB 3.41Å; P439-A457 HydrophobicContact CG-CB 4.08Å
440	K	95.3	Very high	93.5	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.017	10%	0.098	C	C	.	.	H	α-helix	trans	-62.4	-44.5	176.3	173.8	167.3	-171.7	176.6	0	112	V85 T86 E89 S96 F437 L438 L442 E443 M444 I676	V85-K440 HydrophobicContact CG1-CB 4.49Å; V85-K440 HydrophobicContact CG1-CD 3.93Å; T86-K440 HydrophobicContact CG2-CB 3.54Å; T86-K440 HydrophobicContact CG2-CD 3.94Å; T86-K440 HydrophobicContact CG2-CG 3.56Å; E89-K440 IonicContact OE1-NZ 2.96Å; E89-K440 PolarHBondContact OE1-NZ 3.02Å; E89-K440 VanDerWaalsContact OE2-CE 3.27Å; E89-K440 WeakPolarHBondContact OE2-CE 3.42Å; E89-K440 IonicContact OE2-NZ 2.69Å; E89-K440 PolarHBondContact OE2-NZ 2.98Å; S96-K440 PolarHBondContact OG-NZ 2.87Å; F437-K440 HydrophobicContact CD1-CD 4.25Å; F437-K440 WeakPolarHBondContact O-CB 3.36Å; F437-K440 PolarHBondContact O-N 2.85Å; L438-K440 VanDerWaalsContact C-N 3.27Å; L438-K440 PolarHBondContact O-N 3.47Å; K440-L442 VanDerWaalsContact C-N 3.33Å; K440-L442 PolarHBondContact O-N 3.21Å; K440-E443 PolarHBondContact O-N 3.34Å; K440-M444 HydrophobicContact CD-CE 4.03Å; K440-M444 HydrophobicContact CD-SD 4.2Å; K440-M444 VanDerWaalsContact CE-CE 3.4Å; K440-M444 WeakPolarHBondContact CE-SD 3.42Å; K440-M444 HydrophobicContact CG-CE 3.47Å; K440-M444 VanDerWaalsContact CG-CE 3.47Å; K440-M444 HydrophobicContact CG-CG 4.37Å; K440-M444 HydrophobicContact CG-SD 3.82Å; K440-M444 WeakPolarHBondContact O-CG 3.12Å; K440-M444 PolarHBondContact O-N 2.85Å; K440-I676 HydrophobicContact CD-CG2 4.46Å
441	Y	95.6	Very high	93.3	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.016	10%	0.098	C	C	.	.	H	α-helix	trans	-61.5	-42.3	176.8	175.8	-93.2	0	0	0	111.5	F434 F437 L438 G445 F446 F618 L701 N702 I705	F434-Y441 HydrophobicContact CE2-CD1 4.15Å; F434-Y441 HydrophobicContact CE2-CD2 4.45Å; F434-Y441 HydrophobicContact CE2-CG 4.09Å; F434-Y441 HydrophobicContact CZ-CD1 4.04Å; F434-Y441 HydrophobicContact CZ-CE1 4.34Å; F434-Y441 HydrophobicContact CZ-CG 4.43Å; F437-Y441 PolarHBondContact O-N 3.47Å; L438-Y441 PolarHBondContact O-N 3.48Å; Y441-G445 WeakPolarHBondContact O-CA 3.12Å; Y441-G445 PolarHBondContact O-N 2.95Å; Y441-F446 AromaticContact CE1-CE2 3.86Å; Y441-F446 HydrophobicContact CE1-CE2 3.86Å; Y441-F618 HydrophobicContact CD1-CE1 4.39Å; Y441-F618 HydrophobicContact CD1-CZ 4.11Å; Y441-F618 AromaticContact CE1-CE1 3.83Å; Y441-F618 HydrophobicContact CE1-CE1 3.83Å; Y441-F618 AromaticContact CE1-CE2 3.86Å; Y441-F618 HydrophobicContact CE1-CE2 3.86Å; Y441-F618 AromaticContact CE1-CZ 3.32Å; Y441-F618 HydrophobicContact CE1-CZ 3.32Å; Y441-L701 HydrophobicContact CD2-CD2 3.93Å; Y441-L701 HydrophobicContact CD2-CG 4.1Å; Y441-L701 HydrophobicContact CE2-CD2 4.12Å; Y441-L701 HydrophobicContact CE2-CG 4.11Å; Y441-N702 PolarHBondContact OH-OD1 2.7Å; Y441-I705 HydrophobicContact CD2-CD1 3.46Å; Y441-I705 VanDerWaalsContact CD2-CD1 3.46Å; Y441-I705 HydrophobicContact CE2-CD1 3.85Å
442	L	94.7	Very high	93.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-65.5	-43.7	175.8	-67.7	176	0	0	0	112	L438 P439 K440 F446 I448 I456 F618	L438-L442 HydrophobicContact CD1-CD1 4.14Å; L438-L442 HydrophobicContact CD1-CG 4.03Å; L438-L442 HydrophobicContact CG-CD1 4.33Å; L438-L442 WeakPolarHBondContact O-CG 3.36Å; L438-L442 PolarHBondContact O-N 3.23Å; P439-L442 PolarHBondContact O-N 3.1Å; K440-L442 VanDerWaalsContact C-N 3.33Å; K440-L442 PolarHBondContact O-N 3.21Å; L442-F446 HydrophobicContact CD2-CD2 3.99Å; L442-F446 HydrophobicContact CD2-CE2 4.3Å; L442-F446 WeakPolarHBondContact O-CA 3.41Å; L442-F446 WeakPolarHBondContact O-CB 3.28Å; L442-F446 PolarHBondContact O-N 2.81Å; L442-I448 HydrophobicContact CB-CD1 4.04Å; L442-I448 HydrophobicContact CB-CG1 4.34Å; L442-I456 HydrophobicContact CD1-CB 4.15Å; L442-I456 HydrophobicContact CD1-CG2 3.96Å; L442-F618 HydrophobicContact CD2-CD1 4.21Å; L442-F618 HydrophobicContact CD2-CE1 3.83Å
443	E	92.5	Very high	93.2	Very high	27 Å²	27	17.7 Å²	17.7	13%	0.126	10%	0.095	C	C	.	.	H	α-helix	trans	-59.4	-51	177.2	-179.4	-180	167.7	0	0	111.4	T86 K90 P439 K440 R447 I448 K450 S453	T86-E443 WeakPolarHBondContact CB-OE2 3.47Å; T86-E443 WeakPolarHBondContact CG2-OE2 3.44Å; T86-E443 PolarHBondContact OG1-OE2 2.78Å; K90-E443 IonicContact NZ-OE1 2.78Å; P439-E443 WeakPolarHBondContact O-CB 3.39Å; P439-E443 PolarHBondContact O-N 2.93Å; K440-E443 PolarHBondContact O-N 3.34Å; E443-R447 WeakPolarHBondContact O-CA 3.44Å; E443-R447 PolarHBondContact O-N 3.31Å; E443-I448 WeakPolarHBondContact CA-O 3.5Å; E443-K450 WeakPolarHBondContact OE1-CE 3.36Å; E443-K450 WeakPolarHBondContact OE2-CG 3.49Å; E443-S453 PolarHBondContact N-OG 3.13Å
444	M	91.1	Very high	93.1	Very high	23 Å²	23	17.7 Å²	17.7	11%	0.113	10%	0.096	C	C	.	.	H	α-helix	trans	-82.5	-36.4	-174.6	-59.4	-179.5	-46.5	0	0	113.5	K440 R447 I676 V696 L701	K440-M444 HydrophobicContact CD-CE 4.03Å; K440-M444 HydrophobicContact CD-SD 4.2Å; K440-M444 VanDerWaalsContact CE-CE 3.4Å; K440-M444 WeakPolarHBondContact CE-SD 3.42Å; K440-M444 HydrophobicContact CG-CE 3.47Å; K440-M444 VanDerWaalsContact CG-CE 3.47Å; K440-M444 HydrophobicContact CG-CG 4.37Å; K440-M444 HydrophobicContact CG-SD 3.82Å; K440-M444 WeakPolarHBondContact O-CG 3.12Å; K440-M444 PolarHBondContact O-N 2.85Å; M444-R447 PolarHBondContact O-NE 3.41Å; M444-R447 VanDerWaalsContact O-NE 3.09Å; M444-I676 HydrophobicContact CE-CG2 3.75Å; M444-V696 HydrophobicContact CE-CG2 4.2Å; M444-V696 HydrophobicContact SD-CG2 3.66Å; M444-L701 HydrophobicContact CE-CD1 4.41Å; M444-L701 HydrophobicContact CE-CD2 4.18Å
445	G	90.5	Very high	93.1	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-79.7	-34.8	-175.9	0	0	0	0	0	113.1	Y441 C509	Y441-G445 WeakPolarHBondContact O-CA 3.12Å; Y441-G445 PolarHBondContact O-N 2.95Å; G445-C509 PolarHBondContact O-SG 3.47Å
446	F	92.3	Very high	93.2	Very high	10 Å²	10	21.7 Å²	21.7	4%	0.044	11%	0.113	C	C	.	.	H	α-helix	trans	-117	0.9	-177.5	-63.6	-86.6	0	0	0	114.5	Y441 L442 I448 C509 L615 F618	Y441-F446 AromaticContact CE1-CE2 3.86Å; Y441-F446 HydrophobicContact CE1-CE2 3.86Å; L442-F446 HydrophobicContact CD2-CD2 3.99Å; L442-F446 HydrophobicContact CD2-CE2 4.3Å; L442-F446 WeakPolarHBondContact O-CA 3.41Å; L442-F446 WeakPolarHBondContact O-CB 3.28Å; L442-F446 PolarHBondContact O-N 2.81Å; F446-I448 PolarHBondContact O-N 3.27Å; F446-C509 WeakPolarHBondContact CD1-SG 3.22Å; F446-L615 HydrophobicContact CB-CD1 3.81Å; F446-L615 HydrophobicContact CD1-CB 3.73Å; F446-L615 HydrophobicContact CD1-CD1 3.81Å; F446-L615 HydrophobicContact CD1-CG 4.37Å; F446-L615 HydrophobicContact CD2-CD1 4.13Å; F446-L615 HydrophobicContact CE1-CB 4.28Å; F446-L615 HydrophobicContact CE1-CD1 4.46Å; F446-L615 HydrophobicContact CG-CB 4.38Å; F446-L615 HydrophobicContact CG-CD1 3.64Å; F446-F618 HydrophobicContact CD2-CD1 4.47Å; F446-F618 HydrophobicContact CE1-CB 4.04Å; F446-F618 HydrophobicContact CE1-CG 4.28Å; F446-F618 HydrophobicContact CE2-CB 4.34Å; F446-F618 AromaticContact CE2-CD1 3.5Å; F446-F618 HydrophobicContact CE2-CD1 3.5Å; F446-F618 HydrophobicContact CE2-CD2 4.16Å; F446-F618 AromaticContact CE2-CE1 3.82Å; F446-F618 HydrophobicContact CE2-CE1 3.82Å; F446-F618 HydrophobicContact CE2-CE2 4.44Å; F446-F618 AromaticContact CE2-CG 3.72Å; F446-F618 HydrophobicContact CE2-CG 3.72Å; F446-F618 HydrophobicContact CE2-CZ 4.31Å; F446-F618 HydrophobicContact CZ-CB 3.54Å; F446-F618 AromaticContact CZ-CD1 3.6Å; F446-F618 HydrophobicContact CZ-CD1 3.6Å; F446-F618 AromaticContact CZ-CD2 3.77Å; F446-F618 HydrophobicContact CZ-CD2 3.77Å; F446-F618 HydrophobicContact CZ-CE1 4.3Å; F446-F618 HydrophobicContact CZ-CE2 4.45Å; F446-F618 AromaticContact CZ-CG 3.32Å; F446-F618 HydrophobicContact CZ-CG 3.32Å
447	R	87.8	Confident	93.2	Very high	70 Å²	70	21 Å²	21	26%	0.264	11%	0.109	S	C	.	.			trans	57.2	35.4	174.3	-54.7	-65.6	167.8	158.1	-4.4	113.8	E443 M444 E607	E443-R447 WeakPolarHBondContact O-CA 3.44Å; E443-R447 PolarHBondContact O-N 3.31Å; M444-R447 PolarHBondContact O-NE 3.41Å; M444-R447 VanDerWaalsContact O-NE 3.09Å; R447-E607 IonicContact CZ-OE2 3.76Å; R447-E607 IonicContact NE-OE2 3.36Å; R447-E607 IonicContact NH1-OE1 3.97Å; R447-E607 PolarHBondContact NH1-OE1 2.87Å; R447-E607 VanDerWaalsContact NH1-OE1 3.15Å; R447-E607 IonicContact NH1-OE2 3.45Å; R447-E607 PolarHBondContact NH1-OE2 3.39Å
448	I	89.3	Confident	93	Very high	33 Å²	33	21 Å²	21	17%	0.169	11%	0.109	C	C	.	.			trans	-95.6	151.2	171.6	55.9	158.4	0	0	0	110.4	L442 E443 F446 S453 I456 L615	L442-I448 HydrophobicContact CB-CD1 4.04Å; L442-I448 HydrophobicContact CB-CG1 4.34Å; E443-I448 WeakPolarHBondContact CA-O 3.5Å; F446-I448 PolarHBondContact O-N 3.27Å; I448-S453 WeakPolarHBondContact CD1-OG 3.26Å; I448-S453 VanDerWaalsContact CG1-OG 3.26Å; I448-S453 WeakPolarHBondContact CG1-OG 3.32Å; I448-I456 HydrophobicContact CD1-CD1 3.79Å; I448-L615 HydrophobicContact CG2-CD2 3.83Å
449	N	89.6	Confident	92.8	Very high	44 Å²	44	23 Å²	23	24%	0.235	13%	0.13	C	C	.	.			trans	-64.3	163.3	-177.9	64.6	35.2	0	0	0	113.2	D277 S451 S452 S453	D277-N449 PolarHBondContact OD1-ND2 3.4Å; N449-S451 PolarHBondContact O-N 3.44Å; N449-S451 PolarHBondContact OD1-OG 2.97Å; N449-S452 PolarHBondContact O-N 2.84Å; N449-S452 WeakPolarHBondContact OD1-CB 3.24Å; N449-S452 PolarHBondContact OD1-N 3.46Å; N449-S452 PolarHBondContact OD1-OG 3.25Å; N449-S453 WeakPolarHBondContact O-CB 3.49Å; N449-S453 PolarHBondContact O-N 2.92Å; N449-S453 PolarHBondContact O-OG 3.41Å
450	K	90.6	Very high	92.7	Very high	6 Å²	6	26.5 Å²	26.5	3%	0.026	15%	0.149	C	C	.	.	H	α-helix	trans	-59.6	-41.6	-173.3	-56.8	-169.9	171.8	-179.9	0	113.6	T87 L259 W281 E443 S454	T87-K450 WeakPolarHBondContact OG1-CD 3.48Å; T87-K450 PolarHBondContact OG1-NZ 3.45Å; L259-K450 HydrophobicContact CD1-CB 4.2Å; L259-K450 HydrophobicContact CD2-CD 4.42Å; W281-K450 PolarHBondContact O-NZ 2.66Å; E443-K450 WeakPolarHBondContact OE1-CE 3.36Å; E443-K450 WeakPolarHBondContact OE2-CG 3.49Å; K450-S454 PolarHBondContact O-N 3.43Å; K450-S454 VanDerWaalsContact O-N 3.14Å; K450-S454 PolarHBondContact O-OG 3.03Å
451	S	91.5	Very high	92.6	Very high	12 Å²	12	26.5 Å²	26.5	8%	0.084	15%	0.149	C	C	.	.	H	α-helix	trans	-70.8	-45.2	-177.4	54	0	0	0	0	111.2	A256 N449 S453 S454 L455	A256-S451 WeakPolarHBondContact O-CB 3.07Å; N449-S451 PolarHBondContact O-N 3.44Å; N449-S451 PolarHBondContact OD1-OG 2.97Å; S451-S453 PolarHBondContact O-N 2.85Å; S451-S454 PolarHBondContact O-N 3.2Å; S451-L455 WeakPolarHBondContact O-CB 3.49Å; S451-L455 PolarHBondContact O-N 2.85Å
452	S	92.7	Very high	92.4	Very high	48 Å²	48	27.9 Å²	27.9	34%	0.336	16%	0.158	S	C	.	.	H	α-helix	trans	-65.1	-39.8	177.2	-56.5	0	0	0	0	111.7	N449 S454 L455 I456	N449-S452 PolarHBondContact O-N 2.84Å; N449-S452 WeakPolarHBondContact OD1-CB 3.24Å; N449-S452 PolarHBondContact OD1-N 3.46Å; N449-S452 PolarHBondContact OD1-OG 3.25Å; S452-S454 VanDerWaalsContact C-N 3.32Å; S452-S454 PolarHBondContact O-N 3Å; S452-L455 PolarHBondContact O-N 3.41Å; S452-I456 WeakPolarHBondContact O-CG1 3.48Å; S452-I456 PolarHBondContact O-N 3.29Å
453	S	95.1	Very high	92.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-57	-46.6	173.8	-61.3	0	0	0	0	112	P439 E443 I448 N449 S451 L455 I456 A457	P439-S453 WeakPolarHBondContact O-CB 3.41Å; E443-S453 PolarHBondContact N-OG 3.13Å; I448-S453 WeakPolarHBondContact CD1-OG 3.26Å; I448-S453 VanDerWaalsContact CG1-OG 3.26Å; I448-S453 WeakPolarHBondContact CG1-OG 3.32Å; N449-S453 WeakPolarHBondContact O-CB 3.49Å; N449-S453 PolarHBondContact O-N 2.92Å; N449-S453 PolarHBondContact O-OG 3.41Å; S451-S453 PolarHBondContact O-N 2.85Å; S453-L455 VanDerWaalsContact C-N 3.35Å; S453-I456 PolarHBondContact O-N 3.26Å; S453-A457 WeakPolarHBondContact O-CB 3.48Å; S453-A457 PolarHBondContact O-N 2.95Å
454	S	95.3	Very high	92.4	Very high	1 Å²	1	30 Å²	30	1%	0.007	17%	0.174	C	C	.	.	H	α-helix	trans	-66.3	-37	177.7	-61.9	0	0	0	0	112.2	S83 K450 S451 S452 G458	S83-S454 WeakPolarHBondContact CB-OG 3.43Å; K450-S454 PolarHBondContact O-N 3.43Å; K450-S454 VanDerWaalsContact O-N 3.14Å; K450-S454 PolarHBondContact O-OG 3.03Å; S451-S454 PolarHBondContact O-N 3.2Å; S452-S454 VanDerWaalsContact C-N 3.32Å; S452-S454 PolarHBondContact O-N 3Å; S454-G458 PolarHBondContact O-N 3.5Å
455	L	95.3	Very high	92.4	Very high	106 Å²	106	29.3 Å²	29.3	56%	0.555	17%	0.173	S	C	*	.	H	α-helix	trans	-68.3	-40.4	177.5	-173.9	64.8	0	0	0	112.3	A256 S451 S452 S453 G459	A256-L455 HydrophobicContact CB-CB 4.4Å; S451-L455 WeakPolarHBondContact O-CB 3.49Å; S451-L455 PolarHBondContact O-N 2.85Å; S452-L455 PolarHBondContact O-N 3.41Å; S453-L455 VanDerWaalsContact C-N 3.35Å; L455-G459 WeakPolarHBondContact O-CA 3.36Å; L455-G459 PolarHBondContact O-N 3.29Å
456	I	95.6	Very high	92.4	Very high	41 Å²	41	31 Å²	31	21%	0.21	19%	0.186	C	C	.	.	H	α-helix	trans	-65.9	-46.7	175.2	-67.5	168.7	0	0	0	110.2	L442 I448 S452 S453 L460 I461 V619	L442-I456 HydrophobicContact CD1-CB 4.15Å; L442-I456 HydrophobicContact CD1-CG2 3.96Å; I448-I456 HydrophobicContact CD1-CD1 3.79Å; S452-I456 WeakPolarHBondContact O-CG1 3.48Å; S452-I456 PolarHBondContact O-N 3.29Å; S453-I456 PolarHBondContact O-N 3.26Å; I456-L460 PolarHBondContact O-N 3.04Å; I456-I461 HydrophobicContact CG2-CD1 3.93Å; I456-I461 PolarHBondContact O-N 3.23Å; I456-I461 VanDerWaalsContact O-N 3.14Å; I456-V619 HydrophobicContact CG2-CG1 4Å; I456-V619 HydrophobicContact CG2-CG2 3.98Å
457	A	94.5	Very high	92.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.207	C	C	.	.	I	π-helix	trans	-58.4	-53.1	178.5	0	0	0	0	0	112	F252 L438 P439 S453 I461 V462	F252-A457 HydrophobicContact CD1-CB 4.33Å; F252-A457 HydrophobicContact CE1-CB 4.19Å; L438-A457 HydrophobicContact CD2-CB 3.68Å; L438-A457 HydrophobicContact CG-CB 3.88Å; P439-A457 HydrophobicContact CG-CB 4.08Å; S453-A457 WeakPolarHBondContact O-CB 3.48Å; S453-A457 PolarHBondContact O-N 2.95Å; A457-I461 WeakPolarHBondContact O-CB 3.28Å; A457-V462 WeakPolarHBondContact O-CG2 3.34Å; A457-V462 PolarHBondContact O-N 3.16Å; A457-V462 VanDerWaalsContact O-N 3.12Å
458	G	92.8	Very high	92.8	Very high	2 Å²	2	31.5 Å²	31.5	2%	0.021	19%	0.194	C	C	.	.	I	π-helix	trans	-83.9	-38.1	-175.7	0	0	0	0	0	115.5	V249 F252 S454 P463	V249-G458 WeakPolarHBondContact CG1-O 3.43Å; F252-G458 VanDerWaalsContact CB-CA 3.45Å; S454-G458 PolarHBondContact O-N 3.5Å; G458-P463 WeakPolarHBondContact O-CD 3.39Å; G458-P463 WeakPolarHBondContact O-CG 3.32Å
459	G	91.7	Very high	93	Very high	46 Å²	46	33.2 Å²	33.2	47%	0.474	20%	0.203	S	C	.	.	I	π-helix	trans	-85.5	-25.6	-172.1	0	0	0	0	0	114.3	L455	L455-G459 WeakPolarHBondContact O-CA 3.36Å; L455-G459 PolarHBondContact O-N 3.29Å
460	L	93.2	Very high	93	Very high	79 Å²	79	36.7 Å²	36.7	41%	0.414	22%	0.221	S	C	.	.	I	π-helix	trans	-116.2	-55.4	-179.5	179.5	61.1	0	0	0	112.2	I456 C464 V619 T623	I456-L460 PolarHBondContact O-N 3.04Å; L460-C464 PolarHBondContact O-N 2.62Å; L460-C464 PolarHBondContact O-SG 3.49Å; L460-C464 VanDerWaalsContact O-SG 3.33Å; L460-V619 HydrophobicContact CD2-CG1 3.54Å; L460-T623 HydrophobicContact CD1-CG2 4.39Å; L460-T623 HydrophobicContact CG-CG2 4.36Å
461	I	93.9	Very high	93.2	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	23%	0.232	C	C	.	.	I	π-helix	trans	-69.4	-55.9	-168.6	-67.9	165.4	0	0	0	111	L438 I456 A457 C464 G465 L622 L626	L438-I461 HydrophobicContact CD1-CD1 4.47Å; L438-I461 HydrophobicContact CD2-CB 4.44Å; L438-I461 HydrophobicContact CD2-CD1 3.88Å; L438-I461 HydrophobicContact CD2-CG2 4.05Å; I456-I461 HydrophobicContact CG2-CD1 3.93Å; I456-I461 PolarHBondContact O-N 3.23Å; I456-I461 VanDerWaalsContact O-N 3.14Å; A457-I461 WeakPolarHBondContact O-CB 3.28Å; I461-C464 PolarHBondContact O-N 3.46Å; I461-G465 PolarHBondContact O-N 3.32Å; I461-L622 HydrophobicContact CD1-CD2 3.6Å; I461-L622 HydrophobicContact CD1-CG 4.19Å; I461-L626 HydrophobicContact CG2-CD2 3.39Å; I461-L626 VanDerWaalsContact O-CD2 3.28Å; I461-L626 WeakPolarHBondContact O-CD2 3.43Å
462	V	91.1	Very high	93.3	Very high	33 Å²	33	37.9 Å²	37.9	20%	0.2	23%	0.228	C	C	.	.	H	α-helix	trans	-57.9	-47.1	-177.3	173.4	0	0	0	0	113.7	P248 V249 F252 A457 C464 G465 A466	P248-V462 HydrophobicContact CB-CG1 4.42Å; V249-V462 HydrophobicContact CG2-CB 4.11Å; V249-V462 HydrophobicContact CG2-CG1 3.55Å; F252-V462 HydrophobicContact CD2-CG2 4.32Å; F252-V462 HydrophobicContact CE2-CG2 4.04Å; A457-V462 WeakPolarHBondContact O-CG2 3.34Å; A457-V462 PolarHBondContact O-N 3.16Å; A457-V462 VanDerWaalsContact O-N 3.12Å; V462-C464 VanDerWaalsContact C-N 3.28Å; V462-C464 PolarHBondContact O-N 3.48Å; V462-G465 PolarHBondContact O-N 2.94Å; V462-A466 PolarHBondContact O-N 3.44Å
463	P	91.8	Very high	93.2	Very high	42 Å²	42	36.8 Å²	36.8	27%	0.273	22%	0.224	S	C	.	.	H	α-helix	trans	-59.4	-34.9	177.9	-26.9	35.7	0	0	0	113.7	V249 G458 G465 A466 L467	V249-P463 HydrophobicContact CG1-CG 4.22Å; V249-P463 HydrophobicContact CG2-CG 3.87Å; G458-P463 WeakPolarHBondContact O-CD 3.39Å; G458-P463 WeakPolarHBondContact O-CG 3.32Å; P463-G465 VanDerWaalsContact C-N 3.3Å; P463-G465 PolarHBondContact O-N 3.15Å; P463-A466 WeakPolarHBondContact O-CB 3.26Å; P463-A466 PolarHBondContact O-N 3.32Å; P463-L467 PolarHBondContact O-N 2.89Å
464	C	93.8	Very high	93	Very high	28 Å²	28	42.3 Å²	42.3	19%	0.189	25%	0.253	C	S	.	.	H	α-helix	trans	-65.7	-32.4	176.1	-74.1	0	0	0	0	112.6	L460 I461 V462 L467 G468 T623	L460-C464 PolarHBondContact O-N 2.62Å; L460-C464 PolarHBondContact O-SG 3.49Å; L460-C464 VanDerWaalsContact O-SG 3.33Å; I461-C464 PolarHBondContact O-N 3.46Å; V462-C464 VanDerWaalsContact C-N 3.28Å; V462-C464 PolarHBondContact O-N 3.48Å; C464-L467 PolarHBondContact O-N 2.84Å; C464-G468 PolarHBondContact O-N 2.7Å; C464-T623 HydrophobicContact CB-CG2 3.51Å; C464-T623 WeakPolarHBondContact SG-CG2 3.4Å
465	G	92.7	Very high	92.9	Very high	9 Å²	9	44.1 Å²	44.1	9%	0.093	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-45.4	169.9	0	0	0	0	0	112.3	I461 V462 P463 G468 I469	I461-G465 PolarHBondContact O-N 3.32Å; V462-G465 PolarHBondContact O-N 2.94Å; P463-G465 VanDerWaalsContact C-N 3.3Å; P463-G465 PolarHBondContact O-N 3.15Å; G465-G468 PolarHBondContact O-N 3.48Å; G465-I469 PolarHBondContact O-N 3.32Å; G465-I469 VanDerWaalsContact O-N 3.12Å
466	A	89.6	Confident	92.6	Very high	36 Å²	36	39.6 Å²	39.6	30%	0.298	24%	0.239	S	C	.	.	H	α-helix	trans	-64	-41.2	176.4	0	0	0	0	0	112.3	V462 P463 G468 I469 L470	V462-A466 PolarHBondContact O-N 3.44Å; P463-A466 WeakPolarHBondContact O-CB 3.26Å; P463-A466 PolarHBondContact O-N 3.32Å; A466-G468 VanDerWaalsContact C-N 3.29Å; A466-G468 PolarHBondContact O-N 3.12Å; A466-I469 WeakPolarHBondContact O-CB 3.45Å; A466-I469 PolarHBondContact O-N 3.27Å; A466-L470 PolarHBondContact O-N 3.34Å
467	L	92.5	Very high	92.3	Very high	91 Å²	91	42.1 Å²	42.1	48%	0.476	25%	0.252	S	S	.	.	H	α-helix	trans	-60	-40.5	172.8	-177	63.7	0	0	0	111.5	P463 C464 I469 L470 V471 F627	P463-L467 PolarHBondContact O-N 2.89Å; C464-L467 PolarHBondContact O-N 2.84Å; L467-I469 VanDerWaalsContact C-N 3.32Å; L467-I469 PolarHBondContact O-N 3.28Å; L467-L470 WeakPolarHBondContact O-CB 3.48Å; L467-L470 PolarHBondContact O-N 3.09Å; L467-V471 WeakPolarHBondContact O-CG2 3.24Å; L467-V471 PolarHBondContact O-N 2.81Å; L467-F627 HydrophobicContact CD2-CE2 4.46Å; L467-F627 HydrophobicContact CG-CD2 4.43Å; L467-F627 HydrophobicContact CG-CE2 4.16Å
468	G	95.6	Very high	92.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58	-42.1	174.5	0	0	0	0	0	112.8	C464 G465 A466 L470 V471 G472 F627 G630 V631	C464-G468 PolarHBondContact O-N 2.7Å; G465-G468 PolarHBondContact O-N 3.48Å; A466-G468 VanDerWaalsContact C-N 3.29Å; A466-G468 PolarHBondContact O-N 3.12Å; G468-L470 PolarHBondContact O-N 3.5Å; G468-V471 PolarHBondContact O-N 3.31Å; G468-G472 PolarHBondContact O-N 3.27Å; G468-F627 VanDerWaalsContact CA-CD2 3.44Å; G468-F627 WeakPolarHBondContact CA-O 3.29Å; G468-G630 VanDerWaalsContact C-C 3.41Å; G468-G630 CarbonylContact O-C 3.53Å; G468-V631 VanDerWaalsContact O-CA 3.31Å; G468-V631 WeakPolarHBondContact O-CA 3.26Å; G468-V631 WeakPolarHBondContact O-CG2 3.48Å; G468-V631 PolarHBondContact O-N 3.43Å
469	I	93.2	Very high	92.2	Very high	70 Å²	70	58.2 Å²	58.2	36%	0.359	32%	0.316	S	S	.	.	H	α-helix	trans	-59.5	-48.3	175.4	-62.8	170.7	0	0	0	110.2	G465 A466 L467 V471 G472 G473 G630 Q633 N634	G465-I469 PolarHBondContact O-N 3.32Å; G465-I469 VanDerWaalsContact O-N 3.12Å; A466-I469 WeakPolarHBondContact O-CB 3.45Å; A466-I469 PolarHBondContact O-N 3.27Å; L467-I469 VanDerWaalsContact C-N 3.32Å; L467-I469 PolarHBondContact O-N 3.28Å; I469-V471 PolarHBondContact O-N 3.17Å; I469-G472 PolarHBondContact O-N 3.08Å; I469-G473 PolarHBondContact O-N 2.98Å; I469-G473 VanDerWaalsContact O-N 3.07Å; I469-G630 WeakPolarHBondContact CA-O 3.37Å; I469-Q633 HydrophobicContact CD1-CG 4.48Å; I469-Q633 HydrophobicContact CG1-CB 4.31Å; I469-Q633 HydrophobicContact CG1-CG 4.08Å; I469-N634 PolarHBondContact O-ND2 3.49Å
470	L	91.5	Very high	92	Very high	117 Å²	117	59.9 Å²	59.9	61%	0.613	31%	0.312	S	S	*	.	H	α-helix	trans	-59.2	-49.2	178.5	-66.4	173.5	0	0	0	111.9	A466 L467 G468 G472 G473 I474	A466-L470 PolarHBondContact O-N 3.34Å; L467-L470 WeakPolarHBondContact O-CB 3.48Å; L467-L470 PolarHBondContact O-N 3.09Å; G468-L470 PolarHBondContact O-N 3.5Å; L470-G472 VanDerWaalsContact C-N 3.33Å; L470-G472 PolarHBondContact O-N 3.43Å; L470-G473 PolarHBondContact O-N 3.3Å; L470-G473 VanDerWaalsContact O-N 3.1Å; L470-I474 PolarHBondContact O-N 3.44Å; L470-I474 VanDerWaalsContact O-N 3.07Å
471	V	94.2	Very high	91.6	Very high	42 Å²	42	58.2 Å²	58.2	26%	0.255	30%	0.301	S	S	.	.	H	α-helix	trans	-62.3	-40.5	178.8	174.2	0	0	0	0	111.2	L467 G468 I469 G473 I474 I475 F627 V631	L467-V471 WeakPolarHBondContact O-CG2 3.24Å; L467-V471 PolarHBondContact O-N 2.81Å; G468-V471 PolarHBondContact O-N 3.31Å; I469-V471 PolarHBondContact O-N 3.17Å; V471-G473 PolarHBondContact O-N 3.2Å; V471-I474 PolarHBondContact O-N 3.34Å; V471-I474 VanDerWaalsContact O-N 3.13Å; V471-I475 HydrophobicContact CG1-CD1 3.71Å; V471-I475 HydrophobicContact CG1-CG1 4.16Å; V471-I475 WeakPolarHBondContact O-CG1 3.48Å; V471-I475 PolarHBondContact O-N 2.97Å; V471-F627 HydrophobicContact CB-CE2 4.14Å; V471-F627 HydrophobicContact CB-CZ 4.01Å; V471-F627 HydrophobicContact CG1-CZ 3.97Å; V471-F627 HydrophobicContact CG2-CE2 3.92Å; V471-F627 HydrophobicContact CG2-CZ 4.05Å; V471-V631 HydrophobicContact CB-CG2 4.5Å; V471-V631 HydrophobicContact CG1-CG2 4.44Å
472	G	93.2	Very high	91.4	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.3	-35.7	174.4	0	0	0	0	0	113.1	G468 I469 L470 L476	G468-G472 PolarHBondContact O-N 3.27Å; I469-G472 PolarHBondContact O-N 3.08Å; L470-G472 VanDerWaalsContact C-N 3.33Å; L470-G472 PolarHBondContact O-N 3.43Å; G472-L476 VanDerWaalsContact O-CB 3.3Å; G472-L476 WeakPolarHBondContact O-CB 3.4Å; G472-L476 PolarHBondContact O-N 3.43Å
473	G	89.8	Confident	91.3	Very high	25 Å²	25	66.4 Å²	66.4	26%	0.258	33%	0.328	S	S	.	.	H	α-helix	trans	-66.6	-44	173.2	0	0	0	0	0	112.6	I469 L470 V471 L476 N477 N634	I469-G473 PolarHBondContact O-N 2.98Å; I469-G473 VanDerWaalsContact O-N 3.07Å; L470-G473 PolarHBondContact O-N 3.3Å; L470-G473 VanDerWaalsContact O-N 3.1Å; V471-G473 PolarHBondContact O-N 3.2Å; G473-L476 PolarHBondContact O-N 2.94Å; G473-N477 WeakPolarHBondContact O-CB 3.22Å; G473-N477 PolarHBondContact O-N 3.01Å; G473-N634 WeakPolarHBondContact CA-ND2 3.41Å; G473-N634 PolarHBondContact N-ND2 3.32Å
474	I	91.8	Very high	91.3	Very high	116 Å²	116	66.5 Å²	66.5	60%	0.595	33%	0.325	S	S	*	.	H	α-helix	trans	-63.5	-45.6	177.3	-63.9	169.4	0	0	0	110.8	L470 V471 L476 N477 R478	L470-I474 PolarHBondContact O-N 3.44Å; L470-I474 VanDerWaalsContact O-N 3.07Å; V471-I474 PolarHBondContact O-N 3.34Å; V471-I474 VanDerWaalsContact O-N 3.13Å; I474-L476 PolarHBondContact O-N 3.33Å; I474-N477 PolarHBondContact O-N 3.15Å; I474-R478 WeakPolarHBondContact O-CB 3.49Å; I474-R478 PolarHBondContact O-N 3.38Å
475	I	93.8	Very high	91.2	Very high	40 Å²	40	66.3 Å²	66.3	21%	0.205	33%	0.327	C	S	.	.	H	α-helix	trans	-60.2	-46.7	177.3	-70.4	172	0	0	0	110.4	V471 N477 R478 F479 F481 F489 V631	V471-I475 HydrophobicContact CG1-CD1 3.71Å; V471-I475 HydrophobicContact CG1-CG1 4.16Å; V471-I475 WeakPolarHBondContact O-CG1 3.48Å; V471-I475 PolarHBondContact O-N 2.97Å; I475-N477 VanDerWaalsContact C-N 3.27Å; I475-N477 PolarHBondContact O-N 3.24Å; I475-R478 PolarHBondContact O-N 2.81Å; I475-F479 HydrophobicContact CG2-CD2 3.81Å; I475-F479 HydrophobicContact CG2-CE2 4.26Å; I475-F479 WeakPolarHBondContact O-CD2 3.42Å; I475-F479 PolarHBondContact O-N 3.3Å; I475-F481 HydrophobicContact CG2-CE2 3.97Å; I475-F489 HydrophobicContact CD1-CZ 4.42Å; I475-F489 HydrophobicContact CG2-CE1 4.32Å; I475-F489 HydrophobicContact CG2-CE2 4.25Å; I475-F489 HydrophobicContact CG2-CZ 3.78Å; I475-V631 HydrophobicContact CD1-CG1 4.18Å
476	L	89.2	Confident	91.2	Very high	11 Å²	11	65.9 Å²	65.9	6%	0.058	32%	0.323	C	S	.	.	H	α-helix	trans	-62.2	-37.3	178.7	-176.3	65.9	0	0	0	111.9	Y366 P369 G472 G473 I474 Q480 F481 N634 M638	Y366-L476 PolarHBondContact OH-O 3.07Å; P369-L476 HydrophobicContact CG-CD2 4.23Å; G472-L476 VanDerWaalsContact O-CB 3.3Å; G472-L476 WeakPolarHBondContact O-CB 3.4Å; G472-L476 PolarHBondContact O-N 3.43Å; G473-L476 PolarHBondContact O-N 2.94Å; I474-L476 PolarHBondContact O-N 3.33Å; L476-Q480 PolarHBondContact O-N 3.41Å; L476-F481 HydrophobicContact CD1-CB 4.07Å; L476-F481 HydrophobicContact CD1-CD2 4.15Å; L476-N634 HydrophobicContact CD2-CB 4.31Å; L476-M638 HydrophobicContact CD1-CE 3.92Å; L476-M638 HydrophobicContact CD2-CB 3.93Å; L476-M638 HydrophobicContact CD2-CG 4.36Å
477	N	89.4	Confident	91.5	Very high	94 Å²	94	64.2 Å²	64.2	50%	0.503	31%	0.309	S	S	.	.	H	α-helix	trans	-72.3	-37.9	175.7	-165.2	33.4	0	0	0	112.3	Y366 G473 I474 I475 Q480	Y366-N477 WeakPolarHBondContact OH-CA 3.43Å; Y366-N477 PolarHBondContact OH-OD1 3.18Å; G473-N477 WeakPolarHBondContact O-CB 3.22Å; G473-N477 PolarHBondContact O-N 3.01Å; I474-N477 PolarHBondContact O-N 3.15Å; I475-N477 VanDerWaalsContact C-N 3.27Å; I475-N477 PolarHBondContact O-N 3.24Å; N477-Q480 PolarHBondContact O-NE2 3.43Å
478	R	92.5	Very high	91.7	Very high	205 Å²	205	66 Å²	66	77%	0.774	31%	0.309	S	S	*	.	H	α-helix	trans	-74.4	-44.4	-177.4	-175.8	61.2	175	-178.5	0.9	112.8	I474 I475	I474-R478 WeakPolarHBondContact O-CB 3.49Å; I474-R478 PolarHBondContact O-N 3.38Å; I475-R478 PolarHBondContact O-N 2.81Å
479	F	91	Very high	91.7	Very high	134 Å²	134	68.2 Å²	68.2	59%	0.588	32%	0.319	S	S	*	.	H	α-helix	trans	-91.5	-7.8	-175.5	-72.3	-77.6	0	0	0	114.3	I475 F481	I475-F479 HydrophobicContact CG2-CD2 3.81Å; I475-F479 HydrophobicContact CG2-CE2 4.26Å; I475-F479 WeakPolarHBondContact O-CD2 3.42Å; I475-F479 PolarHBondContact O-N 3.3Å; F479-F481 VanDerWaalsContact C-N 3.28Å; F479-F481 HydrophobicContact CB-CD1 4.29Å; F479-F481 HydrophobicContact CB-CD2 3.99Å; F479-F481 HydrophobicContact CB-CE1 3.89Å; F479-F481 HydrophobicContact CB-CE2 3.58Å; F479-F481 HydrophobicContact CB-CG 4.33Å; F479-F481 HydrophobicContact CB-CZ 3.52Å; F479-F481 HydrophobicContact CD2-CE2 4.33Å; F479-F481 HydrophobicContact CD2-CZ 4.29Å; F479-F481 HydrophobicContact CG-CE2 4.19Å; F479-F481 AromaticContact CG-CZ 3.91Å; F479-F481 HydrophobicContact CG-CZ 3.91Å; F479-F481 PolarHBondContact O-N 3.43Å
480	Q	88.3	Confident	91.8	Very high	82 Å²	82	64.9 Å²	64.9	38%	0.383	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	39.2	168.8	-53.4	-95.2	-60.2	0	0	113.1	Y366 L476 N477 R482	Y366-Q480 HydrophobicContact CD1-CG 4.45Å; Y366-Q480 VanDerWaalsContact CD2-CA 3.42Å; Y366-Q480 HydrophobicContact CD2-CB 3.43Å; Y366-Q480 VanDerWaalsContact CD2-CB 3.43Å; Y366-Q480 HydrophobicContact CD2-CG 4.14Å; Y366-Q480 WeakPolarHBondContact CD2-O 3.3Å; Y366-Q480 HydrophobicContact CE1-CG 4.48Å; Y366-Q480 HydrophobicContact CE2-CB 3.71Å; Y366-Q480 HydrophobicContact CE2-CG 4.21Å; Y366-Q480 HydrophobicContact CG-CB 3.86Å; Y366-Q480 HydrophobicContact CG-CG 4.22Å; Y366-Q480 VanDerWaalsContact CZ-CD 3.47Å; L476-Q480 PolarHBondContact O-N 3.41Å; N477-Q480 PolarHBondContact O-NE2 3.43Å; Q480-R482 PolarHBondContact O-N 3.21Å
481	F	85.3	Confident	92.1	Very high	43 Å²	43	59.9 Å²	59.9	19%	0.189	28%	0.276	C	S	.	.			trans	-60.3	132.1	-169.4	-68.6	-62.4	0	0	0	113.5	I475 L476 F479 A486 F489 M638 R642	I475-F481 HydrophobicContact CG2-CE2 3.97Å; L476-F481 HydrophobicContact CD1-CB 4.07Å; L476-F481 HydrophobicContact CD1-CD2 4.15Å; F479-F481 VanDerWaalsContact C-N 3.28Å; F479-F481 HydrophobicContact CB-CD1 4.29Å; F479-F481 HydrophobicContact CB-CD2 3.99Å; F479-F481 HydrophobicContact CB-CE1 3.89Å; F479-F481 HydrophobicContact CB-CE2 3.58Å; F479-F481 HydrophobicContact CB-CG 4.33Å; F479-F481 HydrophobicContact CB-CZ 3.52Å; F479-F481 HydrophobicContact CD2-CE2 4.33Å; F479-F481 HydrophobicContact CD2-CZ 4.29Å; F479-F481 HydrophobicContact CG-CE2 4.19Å; F479-F481 AromaticContact CG-CZ 3.91Å; F479-F481 HydrophobicContact CG-CZ 3.91Å; F479-F481 PolarHBondContact O-N 3.43Å; F481-A486 HydrophobicContact CB-CB 4.05Å; F481-F489 HydrophobicContact CE2-CD1 4.41Å; F481-F489 HydrophobicContact CE2-CD2 4.31Å; F481-F489 HydrophobicContact CE2-CG 4.17Å; F481-F489 HydrophobicContact CZ-CB 4.4Å; F481-F489 HydrophobicContact CZ-CD2 4.16Å; F481-F489 HydrophobicContact CZ-CG 4.27Å; F481-M638 WeakPolarHBondContact O-CE 3.4Å; F481-R642 PolarHBondContact O-NH1 2.94Å
482	R	89.7	Confident	92.2	Very high	135 Å²	135	61.8 Å²	61.8	51%	0.509	29%	0.287	S	S	.	.			trans	-71.6	161.5	163.1	-69.1	-176.2	171	-179.7	-4	110.7	S364 Q480 K484 G485 A486	S364-R482 PolarHBondContact O-NH2 2.91Å; S364-R482 PolarHBondContact OG-NH2 2.94Å; Q480-R482 PolarHBondContact O-N 3.21Å; R482-K484 VanDerWaalsContact C-N 3.3Å; R482-K484 PolarHBondContact O-N 2.86Å; R482-K484 VanDerWaalsContact O-N 3.14Å; R482-G485 PolarHBondContact O-N 3.01Å; R482-A486 PolarHBondContact O-N 3.07Å
483	R	89.4	Confident	92.4	Very high	74 Å²	74	62.4 Å²	62.4	28%	0.279	29%	0.29	S	S	.	.	H	α-helix	trans	-45.3	-49.2	-179.4	-65.4	-174.9	-78.3	165	4	113.2	I487 R642 L727 D730	R483-I487 PolarHBondContact O-N 3.41Å; R483-R642 HydrophobicContact CG-CB 4.31Å; R483-L727 HydrophobicContact CB-CD2 4.28Å; R483-D730 IonicContact CZ-OD2 2.72Å; R483-D730 IonicContact NH1-OD2 3.41Å; R483-D730 PolarHBondContact NH1-OD2 2.9Å; R483-D730 IonicContact NH2-OD2 2.64Å
484	K	90.6	Very high	92.7	Very high	45 Å²	45	61.3 Å²	61.3	20%	0.196	28%	0.279	C	S	.	.	H	α-helix	trans	-67.3	-43	178.9	-61.3	-175.6	-179.3	-170.4	0	113	R482 A486 I487 R488 L727 Y728	R482-K484 VanDerWaalsContact C-N 3.3Å; R482-K484 PolarHBondContact O-N 2.86Å; R482-K484 VanDerWaalsContact O-N 3.14Å; K484-A486 VanDerWaalsContact C-N 3.33Å; K484-I487 PolarHBondContact O-N 3.33Å; K484-R488 WeakPolarHBondContact O-CG 3.39Å; K484-R488 PolarHBondContact O-N 3.48Å; K484-L727 WeakPolarHBondContact CE-O 3.37Å; K484-L727 HydrophobicContact CG-CB 4.38Å; K484-Y728 HydrophobicContact CD-CD1 4.36Å; K484-Y728 HydrophobicContact CD-CE1 4.37Å
485	G	92	Very high	92.9	Very high	24 Å²	24	59.9 Å²	59.9	25%	0.247	27%	0.272	C	S	.	.	H	α-helix	trans	-64.2	-39.8	178.6	0	0	0	0	0	111.9	R482 R488 F489	R482-G485 PolarHBondContact O-N 3.01Å; G485-R488 PolarHBondContact O-N 3.33Å; G485-F489 WeakPolarHBondContact O-CB 3.47Å; G485-F489 PolarHBondContact O-N 3.43Å
486	A	93.5	Very high	93.1	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-46.9	175.6	0	0	0	0	0	112.1	F481 R482 K484 F489 V490 P635 M638 V639	F481-A486 HydrophobicContact CB-CB 4.05Å; R482-A486 PolarHBondContact O-N 3.07Å; K484-A486 VanDerWaalsContact C-N 3.33Å; A486-F489 WeakPolarHBondContact O-CB 3.39Å; A486-F489 PolarHBondContact O-N 2.8Å; A486-V490 WeakPolarHBondContact O-CG2 3.46Å; A486-V490 PolarHBondContact O-N 2.94Å; A486-P635 HydrophobicContact CB-CB 4.23Å; A486-M638 HydrophobicContact CB-CE 3.52Å; A486-V639 HydrophobicContact CB-CG2 4.16Å
487	I	95.4	Very high	93.5	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-68.6	-35.3	178.3	-62.6	-52	0	0	0	112.4	R483 K484 V490 L491 L636 V639 L723 L724 L727	R483-I487 PolarHBondContact O-N 3.41Å; K484-I487 PolarHBondContact O-N 3.33Å; I487-V490 PolarHBondContact O-N 2.99Å; I487-L491 HydrophobicContact CG2-CD1 4.2Å; I487-L491 WeakPolarHBondContact O-CB 3.37Å; I487-L491 WeakPolarHBondContact O-CG 3.12Å; I487-L491 PolarHBondContact O-N 3.42Å; I487-L636 HydrophobicContact CD1-CD1 4.39Å; I487-V639 HydrophobicContact CD1-CB 4.28Å; I487-V639 HydrophobicContact CD1-CG1 4.23Å; I487-V639 HydrophobicContact CD1-CG2 3.86Å; I487-V639 HydrophobicContact CG1-CG1 4.39Å; I487-V639 HydrophobicContact CG1-CG2 4.05Å; I487-L723 HydrophobicContact CD1-CD2 3.57Å; I487-L723 HydrophobicContact CD1-CG 4.39Å; I487-L723 HydrophobicContact CG1-CD2 4.06Å; I487-L723 HydrophobicContact CG1-CG 4.35Å; I487-L724 HydrophobicContact CB-CD1 4.39Å; I487-L724 HydrophobicContact CG2-CB 3.95Å; I487-L724 HydrophobicContact CG2-CD1 4.26Å; I487-L727 HydrophobicContact CB-CD1 4.38Å; I487-L727 HydrophobicContact CG1-CD1 3.65Å
488	R	95.5	Very high	93.8	Very high	129 Å²	129	58.7 Å²	58.7	49%	0.487	27%	0.265	S	S	.	.	H	α-helix	trans	-62	-44.2	171.8	-71	179.5	-170.4	170.4	2.2	111.8	K484 G485 L491 V492 L724 Y728	K484-R488 WeakPolarHBondContact O-CG 3.39Å; K484-R488 PolarHBondContact O-N 3.48Å; G485-R488 PolarHBondContact O-N 3.33Å; R488-L491 PolarHBondContact O-N 3.49Å; R488-V492 WeakPolarHBondContact O-CG2 3.49Å; R488-V492 PolarHBondContact O-N 2.9Å; R488-L724 HydrophobicContact CG-CD1 4.32Å; R488-L724 HydrophobicContact CG-CD2 4.33Å; R488-Y728 PolarHBondContact NH2-OH 2.91Å
489	F	96	Very high	94	Very high	46 Å²	46	51.9 Å²	51.9	20%	0.202	25%	0.253	C	S	.	.	H	α-helix	trans	-58.9	-46.9	175	171.1	-102.6	0	0	0	111.5	I475 F481 G485 A486 L491 V492 I493 V631 P635	I475-F489 HydrophobicContact CD1-CZ 4.42Å; I475-F489 HydrophobicContact CG2-CE1 4.32Å; I475-F489 HydrophobicContact CG2-CE2 4.25Å; I475-F489 HydrophobicContact CG2-CZ 3.78Å; F481-F489 HydrophobicContact CE2-CD1 4.41Å; F481-F489 HydrophobicContact CE2-CD2 4.31Å; F481-F489 HydrophobicContact CE2-CG 4.17Å; F481-F489 HydrophobicContact CZ-CB 4.4Å; F481-F489 HydrophobicContact CZ-CD2 4.16Å; F481-F489 HydrophobicContact CZ-CG 4.27Å; G485-F489 WeakPolarHBondContact O-CB 3.47Å; G485-F489 PolarHBondContact O-N 3.43Å; A486-F489 WeakPolarHBondContact O-CB 3.39Å; A486-F489 PolarHBondContact O-N 2.8Å; F489-L491 PolarHBondContact O-N 3.01Å; F489-V492 PolarHBondContact O-N 2.99Å; F489-I493 HydrophobicContact CD1-CD1 4.21Å; F489-I493 HydrophobicContact CD2-CD1 4.42Å; F489-I493 HydrophobicContact CE1-CD1 3.53Å; F489-I493 HydrophobicContact CE2-CD1 3.77Å; F489-I493 HydrophobicContact CE2-CG1 4.39Å; F489-I493 HydrophobicContact CZ-CD1 3.29Å; F489-I493 HydrophobicContact CZ-CG1 4.34Å; F489-I493 PolarHBondContact O-N 3.24Å; F489-V631 HydrophobicContact CE1-CG1 3.97Å; F489-V631 HydrophobicContact CZ-CG1 3.88Å; F489-P635 HydrophobicContact CD1-CG 4.2Å; F489-P635 HydrophobicContact CE1-CG 4.18Å
490	V	96.3	Very high	94.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.4	-39.6	176.4	169.4	0	0	0	0	112.5	A486 I487 I493 N494 I632 P635 Y720	A486-V490 WeakPolarHBondContact O-CG2 3.46Å; A486-V490 PolarHBondContact O-N 2.94Å; I487-V490 PolarHBondContact O-N 2.99Å; V490-I493 PolarHBondContact O-N 2.93Å; V490-N494 WeakPolarHBondContact CG1-ND2 3.42Å; V490-N494 WeakPolarHBondContact O-CB 3.23Å; V490-N494 PolarHBondContact O-N 3.4Å; V490-N494 PolarHBondContact O-ND2 3.22Å; V490-I632 HydrophobicContact CB-CG2 4.4Å; V490-I632 HydrophobicContact CG1-CB 4.45Å; V490-I632 HydrophobicContact CG1-CG1 4.19Å; V490-I632 HydrophobicContact CG1-CG2 3.52Å; V490-I632 HydrophobicContact CG2-CG1 4.47Å; V490-I632 HydrophobicContact CG2-CG2 4.03Å; V490-P635 HydrophobicContact CG2-CB 3.71Å; V490-P635 HydrophobicContact CG2-CG 4.32Å; V490-Y720 HydrophobicContact CG1-CD1 3.88Å; V490-Y720 HydrophobicContact CG1-CE1 3.33Å; V490-Y720 HydrophobicContact CG1-CE2 4.35Å
491	L	96.5	Very high	94.5	Very high	12 Å²	12	44.1 Å²	44.1	6%	0.063	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-45.4	175.4	-85.5	166.7	0	0	0	111.8	I487 R488 F489 N494 L495 L717 Y720 F721 L724	I487-L491 HydrophobicContact CG2-CD1 4.2Å; I487-L491 WeakPolarHBondContact O-CB 3.37Å; I487-L491 WeakPolarHBondContact O-CG 3.12Å; I487-L491 PolarHBondContact O-N 3.42Å; R488-L491 PolarHBondContact O-N 3.49Å; F489-L491 PolarHBondContact O-N 3.01Å; L491-N494 PolarHBondContact O-N 3.32Å; L491-L495 WeakPolarHBondContact O-CG 3.49Å; L491-L495 PolarHBondContact O-N 2.85Å; L491-L717 HydrophobicContact CD2-CD2 3.93Å; L491-Y720 HydrophobicContact CD2-CG 4.27Å; L491-F721 HydrophobicContact CD1-CD1 4.33Å; L491-F721 HydrophobicContact CD1-CE1 4.39Å; L491-F721 HydrophobicContact CD2-CD1 4.5Å; L491-F721 HydrophobicContact CD2-CD2 4.44Å; L491-F721 HydrophobicContact CD2-CE1 4.41Å; L491-F721 HydrophobicContact CD2-CE2 4.34Å; L491-F721 HydrophobicContact CD2-CZ 4.32Å; L491-L724 HydrophobicContact CD1-CB 4.46Å; L491-L724 HydrophobicContact CD1-CD2 3.84Å
492	V	97	Very high	94.9	Very high	82 Å²	82	44.5 Å²	44.5	50%	0.497	23%	0.229	S	C	.	.	H	α-helix	trans	-60.9	-46.4	177.5	171.6	0	0	0	0	110.8	R488 F489 N494 L495 I496	R488-V492 WeakPolarHBondContact O-CG2 3.49Å; R488-V492 PolarHBondContact O-N 2.9Å; F489-V492 PolarHBondContact O-N 2.99Å; V492-N494 VanDerWaalsContact C-N 3.32Å; V492-N494 PolarHBondContact O-N 3.33Å; V492-L495 PolarHBondContact O-N 3.01Å; V492-I496 HydrophobicContact CG1-CD1 4.18Å; V492-I496 WeakPolarHBondContact O-CG1 3.22Å; V492-I496 PolarHBondContact O-N 3.31Å
493	I	97	Very high	95.2	Very high	13 Å²	13	40.5 Å²	40.5	7%	0.067	22%	0.221	C	C	.	.	H	α-helix	trans	-62	-41.5	176.5	-65.8	-177	0	0	0	111	F489 V490 L495 I496 I497 L628 V631 I632	F489-I493 HydrophobicContact CD1-CD1 4.21Å; F489-I493 HydrophobicContact CD2-CD1 4.42Å; F489-I493 HydrophobicContact CE1-CD1 3.53Å; F489-I493 HydrophobicContact CE2-CD1 3.77Å; F489-I493 HydrophobicContact CE2-CG1 4.39Å; F489-I493 HydrophobicContact CZ-CD1 3.29Å; F489-I493 HydrophobicContact CZ-CG1 4.34Å; F489-I493 PolarHBondContact O-N 3.24Å; V490-I493 PolarHBondContact O-N 2.93Å; I493-L495 VanDerWaalsContact C-N 3.32Å; I493-L495 PolarHBondContact O-N 3.06Å; I493-I496 WeakPolarHBondContact O-CB 3.32Å; I493-I496 PolarHBondContact O-N 2.83Å; I493-I497 HydrophobicContact CG2-CD1 3.86Å; I493-I497 HydrophobicContact CG2-CG1 4.28Å; I493-I497 WeakPolarHBondContact O-CG1 3.47Å; I493-I497 PolarHBondContact O-N 3.37Å; I493-L628 HydrophobicContact CG2-CB 3.88Å; I493-L628 HydrophobicContact CG2-CD1 4.47Å; I493-L628 HydrophobicContact CG2-CD2 4.24Å; I493-L628 HydrophobicContact CG2-CG 4.43Å; I493-V631 HydrophobicContact CD1-CB 4.41Å; I493-V631 HydrophobicContact CD1-CG1 3.64Å; I493-I632 HydrophobicContact CB-CD1 4.1Å; I493-I632 HydrophobicContact CB-CG1 4.14Å; I493-I632 HydrophobicContact CG2-CD1 3.55Å; I493-I632 HydrophobicContact CG2-CG1 3.83Å
494	N	96.7	Very high	95.4	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.011	21%	0.21	C	C	.	.	H	α-helix	trans	-65.2	-33.4	177.6	-88.1	-65.4	0	0	0	113.7	E427 V490 L491 V492 I497 L498 I632 K713 L717 Y720	E427-N494 PolarHBondContact OE1-OD1 2.9Å; V490-N494 WeakPolarHBondContact CG1-ND2 3.42Å; V490-N494 WeakPolarHBondContact O-CB 3.23Å; V490-N494 PolarHBondContact O-N 3.4Å; V490-N494 PolarHBondContact O-ND2 3.22Å; L491-N494 PolarHBondContact O-N 3.32Å; V492-N494 VanDerWaalsContact C-N 3.32Å; V492-N494 PolarHBondContact O-N 3.33Å; N494-I497 PolarHBondContact O-N 3.31Å; N494-L498 WeakPolarHBondContact O-CB 3.33Å; N494-L498 PolarHBondContact O-N 3.26Å; N494-I632 WeakPolarHBondContact ND2-CD1 3.37Å; N494-K713 PolarHBondContact OD1-NZ 3.02Å; N494-L717 HydrophobicContact CB-CD2 3.63Å; N494-Y720 WeakPolarHBondContact ND2-CE2 3.43Å
495	L	96.7	Very high	95.5	Very high	86 Å²	86	38.7 Å²	38.7	45%	0.45	22%	0.216	S	C	.	.	H	α-helix	trans	-66.5	-40.2	172.1	-71.1	170.1	0	0	0	111.6	L491 V492 I493 L498 A499 L717	L491-L495 WeakPolarHBondContact O-CG 3.49Å; L491-L495 PolarHBondContact O-N 2.85Å; V492-L495 PolarHBondContact O-N 3.01Å; I493-L495 VanDerWaalsContact C-N 3.32Å; I493-L495 PolarHBondContact O-N 3.06Å; L495-L498 PolarHBondContact O-N 2.95Å; L495-A499 WeakPolarHBondContact O-CB 3.45Å; L495-A499 PolarHBondContact O-N 3.23Å; L495-L717 HydrophobicContact CD2-CD1 3.86Å; L495-L717 HydrophobicContact CD2-CD2 4.27Å; L495-L717 HydrophobicContact CG-CD2 4.35Å
496	I	97.2	Very high	95.4	Very high	76 Å²	76	46 Å²	46	39%	0.39	24%	0.241	S	C	.	.	H	α-helix	trans	-62.4	-46.1	173.2	-64.6	166.6	0	0	0	110.2	V492 I493 L498 A499 C500 L628	V492-I496 HydrophobicContact CG1-CD1 4.18Å; V492-I496 WeakPolarHBondContact O-CG1 3.22Å; V492-I496 PolarHBondContact O-N 3.31Å; I493-I496 WeakPolarHBondContact O-CB 3.32Å; I493-I496 PolarHBondContact O-N 2.83Å; I496-L498 VanDerWaalsContact C-N 3.34Å; I496-L498 PolarHBondContact O-N 3.34Å; I496-A499 PolarHBondContact O-N 3Å; I496-C500 WeakPolarHBondContact O-CB 3.46Å; I496-C500 PolarHBondContact O-N 2.9Å; I496-C500 PolarHBondContact O-SG 3.35Å; I496-C500 VanDerWaalsContact O-SG 3.4Å; I496-L628 HydrophobicContact CG2-CD1 3.88Å
497	I	97.3	Very high	95.2	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.015	25%	0.248	C	C	.	.	H	α-helix	trans	-58	-47.2	176.2	-70.7	167.9	0	0	0	110.6	I493 N494 A499 C500 M501 L625 L628 I632	I493-I497 HydrophobicContact CG2-CD1 3.86Å; I493-I497 HydrophobicContact CG2-CG1 4.28Å; I493-I497 WeakPolarHBondContact O-CG1 3.47Å; I493-I497 PolarHBondContact O-N 3.37Å; N494-I497 PolarHBondContact O-N 3.31Å; I497-A499 PolarHBondContact O-N 3.36Å; I497-C500 PolarHBondContact O-N 3.28Å; I497-M501 HydrophobicContact CG2-CG 4.17Å; I497-M501 WeakPolarHBondContact O-CB 3.36Å; I497-M501 WeakPolarHBondContact O-CG 3.44Å; I497-M501 PolarHBondContact O-N 2.96Å; I497-L625 HydrophobicContact CB-CD2 4.03Å; I497-L625 HydrophobicContact CG1-CD2 4.03Å; I497-L625 HydrophobicContact CG2-CD2 3.91Å; I497-L628 HydrophobicContact CD1-CB 3.89Å; I497-L628 HydrophobicContact CG1-CB 3.86Å; I497-L628 HydrophobicContact CG1-CD1 4Å; I497-I632 HydrophobicContact CD1-CD1 3.66Å
498	L	96.1	Very high	94.8	Very high	41 Å²	41	48.2 Å²	48.2	22%	0.215	26%	0.257	C	S	.	.	H	α-helix	trans	-60.2	-45.8	178.9	-173.6	75.4	0	0	0	111.5	N494 L495 I496 M501 C502 L710 K713 L717	N494-L498 WeakPolarHBondContact O-CB 3.33Å; N494-L498 PolarHBondContact O-N 3.26Å; L495-L498 PolarHBondContact O-N 2.95Å; I496-L498 VanDerWaalsContact C-N 3.34Å; I496-L498 PolarHBondContact O-N 3.34Å; L498-M501 PolarHBondContact O-N 3.22Å; L498-C502 PolarHBondContact O-N 3.46Å; L498-C502 PolarHBondContact O-SG 3.05Å; L498-C502 VanDerWaalsContact O-SG 3.34Å; L498-L710 HydrophobicContact CD1-CD2 3.46Å; L498-L710 VanDerWaalsContact CD1-CD2 3.46Å; L498-L710 HydrophobicContact CG-CD2 4.24Å; L498-K713 HydrophobicContact CD1-CB 3.77Å; L498-L717 HydrophobicContact CD2-CD1 3.74Å
499	A	95.6	Very high	94.5	Very high	63 Å²	63	42.7 Å²	42.7	52%	0.521	24%	0.238	S	C	.	.	H	α-helix	trans	-61.9	-44.1	178	0	0	0	0	0	112	L495 I496 I497 C502	L495-A499 WeakPolarHBondContact O-CB 3.45Å; L495-A499 PolarHBondContact O-N 3.23Å; I496-A499 PolarHBondContact O-N 3Å; I497-A499 PolarHBondContact O-N 3.36Å; A499-C502 WeakPolarHBondContact O-CB 3.5Å; A499-C502 PolarHBondContact O-N 3.35Å
500	C	95.8	Very high	94.2	Very high	25 Å²	25	42.9 Å²	42.9	17%	0.169	25%	0.253	C	S	.	.	H	α-helix	trans	-65.9	-37.9	175.9	-73.2	0	0	0	0	112.5	I496 I497 C502 S503 L621 L625	I496-C500 WeakPolarHBondContact O-CB 3.46Å; I496-C500 PolarHBondContact O-N 2.9Å; I496-C500 PolarHBondContact O-SG 3.35Å; I496-C500 VanDerWaalsContact O-SG 3.4Å; I497-C500 PolarHBondContact O-N 3.28Å; C500-C502 VanDerWaalsContact C-N 3.28Å; C500-C502 PolarHBondContact O-N 2.88Å; C500-S503 VanDerWaalsContact O-CB 3.3Å; C500-S503 WeakPolarHBondContact O-CB 3.46Å; C500-S503 PolarHBondContact O-N 3.38Å; C500-S503 VanDerWaalsContact O-N 3.15Å; C500-S503 PolarHBondContact O-OG 3.43Å; C500-L621 HydrophobicContact CB-CD1 3.99Å; C500-L625 HydrophobicContact CB-CD1 4.24Å; C500-L625 HydrophobicContact CB-CD2 3.45Å; C500-L625 VanDerWaalsContact CB-CD2 3.45Å; C500-L625 HydrophobicContact CB-CG 4.08Å
501	M	94.7	Very high	93.9	Very high	27 Å²	27	45.4 Å²	45.4	13%	0.133	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-34.3	176.2	-76.1	-72.9	-64.1	0	0	112.1	I497 L498 S503 F504 L625 T706 L710	I497-M501 HydrophobicContact CG2-CG 4.17Å; I497-M501 WeakPolarHBondContact O-CB 3.36Å; I497-M501 WeakPolarHBondContact O-CG 3.44Å; I497-M501 PolarHBondContact O-N 2.96Å; L498-M501 PolarHBondContact O-N 3.22Å; M501-S503 PolarHBondContact O-N 2.93Å; M501-F504 HydrophobicContact CE-CD2 4.2Å; M501-F504 HydrophobicContact CE-CE2 4.47Å; M501-F504 WeakPolarHBondContact O-CB 3.37Å; M501-F504 PolarHBondContact O-N 2.8Å; M501-F504 HydrophobicContact SD-CD2 3.69Å; M501-F504 HydrophobicContact SD-CE2 3.51Å; M501-F504 VanDerWaalsContact SD-CE2 3.51Å; M501-L625 HydrophobicContact CG-CD1 4.03Å; M501-L625 HydrophobicContact SD-CD1 3.71Å; M501-T706 WeakPolarHBondContact O-CG2 3.37Å; M501-L710 HydrophobicContact CB-CD2 3.92Å
502	C	94.7	Very high	93.5	Very high	52 Å²	52	45.2 Å²	45.2	35%	0.351	27%	0.266	S	S	.	.	H	α-helix	trans	-59.7	-29.1	175.7	-67.9	0	0	0	0	112.9	L498 A499 C500 F504 F505	L498-C502 PolarHBondContact O-N 3.46Å; L498-C502 PolarHBondContact O-SG 3.05Å; L498-C502 VanDerWaalsContact O-SG 3.34Å; A499-C502 WeakPolarHBondContact O-CB 3.5Å; A499-C502 PolarHBondContact O-N 3.35Å; C500-C502 VanDerWaalsContact C-N 3.28Å; C500-C502 PolarHBondContact O-N 2.88Å; C502-F504 PolarHBondContact O-N 3.41Å; C502-F505 WeakPolarHBondContact O-CD2 3.27Å; C502-F505 PolarHBondContact O-N 3.29Å
503	S	94	Very high	93.1	Very high	51 Å²	51	43 Å²	43	36%	0.357	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-62.6	-24.2	176.3	-55	0	0	0	0	112.7	C500 M501 F505 F506 L507	C500-S503 VanDerWaalsContact O-CB 3.3Å; C500-S503 WeakPolarHBondContact O-CB 3.46Å; C500-S503 PolarHBondContact O-N 3.38Å; C500-S503 VanDerWaalsContact O-N 3.15Å; C500-S503 PolarHBondContact O-OG 3.43Å; M501-S503 PolarHBondContact O-N 2.93Å; S503-F505 PolarHBondContact O-N 2.99Å; S503-F506 PolarHBondContact O-N 3.44Å; S503-L507 WeakPolarHBondContact O-CD1 3.14Å; S503-L507 PolarHBondContact O-N 3.32Å
504	F	94	Very high	92.9	Very high	7 Å²	7	42.4 Å²	42.4	3%	0.031	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-67.4	-16	-179.9	-66.3	-34.4	0	0	0	114.7	M501 C502 F506 L507 F618 L621 L622 L625 T706	M501-F504 HydrophobicContact CE-CD2 4.2Å; M501-F504 HydrophobicContact CE-CE2 4.47Å; M501-F504 WeakPolarHBondContact O-CB 3.37Å; M501-F504 PolarHBondContact O-N 2.8Å; M501-F504 HydrophobicContact SD-CD2 3.69Å; M501-F504 HydrophobicContact SD-CE2 3.51Å; M501-F504 VanDerWaalsContact SD-CE2 3.51Å; C502-F504 PolarHBondContact O-N 3.41Å; F504-F506 PolarHBondContact O-N 2.92Å; F504-L507 HydrophobicContact CD1-CB 4.27Å; F504-L507 HydrophobicContact CD1-CD1 3.83Å; F504-L507 HydrophobicContact CE1-CD1 4.26Å; F504-F618 AromaticContact CD1-CD2 3.52Å; F504-F618 HydrophobicContact CD1-CD2 3.52Å; F504-F618 AromaticContact CD1-CE2 3.52Å; F504-F618 HydrophobicContact CD1-CE2 3.52Å; F504-F618 AromaticContact CE1-CD2 3.48Å; F504-F618 HydrophobicContact CE1-CD2 3.48Å; F504-F618 VanDerWaalsContact CE1-CD2 3.48Å; F504-F618 AromaticContact CE1-CE2 3.48Å; F504-F618 HydrophobicContact CE1-CE2 3.48Å; F504-F618 VanDerWaalsContact CE1-CE2 3.48Å; F504-F618 HydrophobicContact CE1-CG 4.39Å; F504-F618 HydrophobicContact CE1-CZ 4.4Å; F504-F618 HydrophobicContact CE2-CE2 4.49Å; F504-F618 HydrophobicContact CG-CD2 4.45Å; F504-F618 HydrophobicContact CG-CE2 4.07Å; F504-F618 HydrophobicContact CZ-CD2 4.37Å; F504-F618 AromaticContact CZ-CE2 4Å; F504-F618 HydrophobicContact CZ-CE2 4Å; F504-L621 HydrophobicContact CD1-CD2 4.1Å; F504-L621 HydrophobicContact CE1-CB 4.1Å; F504-L621 HydrophobicContact CE1-CD2 3.67Å; F504-L621 HydrophobicContact CE1-CG 3.98Å; F504-L621 HydrophobicContact CZ-CB 4.49Å; F504-L621 HydrophobicContact CZ-CD2 4.26Å; F504-L621 HydrophobicContact CZ-CG 4.21Å; F504-L622 HydrophobicContact CE2-CD1 4.46Å; F504-L622 HydrophobicContact CZ-CB 3.97Å; F504-L622 HydrophobicContact CZ-CD1 4.29Å; F504-L625 HydrophobicContact CD2-CD1 4.44Å; F504-L625 HydrophobicContact CE2-CD1 3.4Å; F504-L625 VanDerWaalsContact CE2-CD1 3.4Å; F504-L625 HydrophobicContact CZ-CD1 3.52Å; F504-T706 HydrophobicContact CB-CG2 3.99Å
505	F	92.9	Very high	92.5	Very high	74 Å²	74	42.4 Å²	42.4	33%	0.325	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-64.2	-26.9	168.5	-70.9	-59.3	0	0	0	113.1	C502 S503 L703 T706 L710	C502-F505 WeakPolarHBondContact O-CD2 3.27Å; C502-F505 PolarHBondContact O-N 3.29Å; S503-F505 PolarHBondContact O-N 2.99Å; F505-L703 HydrophobicContact CD1-CD1 4.09Å; F505-L703 HydrophobicContact CE1-CD1 3.77Å; F505-T706 HydrophobicContact CD1-CG2 4.02Å; F505-T706 HydrophobicContact CD2-CG2 4.02Å; F505-T706 HydrophobicContact CE1-CG2 3.79Å; F505-T706 HydrophobicContact CE2-CG2 3.85Å; F505-T706 HydrophobicContact CG-CG2 4.12Å; F505-T706 HydrophobicContact CZ-CG2 3.72Å; F505-L710 HydrophobicContact CD2-CD1 4.44Å; F505-L710 HydrophobicContact CE2-CD1 3.31Å; F505-L710 HydrophobicContact CZ-CD1 3.63Å
506	F	90.4	Very high	92.1	Very high	176 Å²	176	38.4 Å²	38.4	77%	0.772	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-22.9	-176.8	-51.8	-77	0	0	0	112.5	S503 F504 G508	S503-F506 PolarHBondContact O-N 3.44Å; F504-F506 PolarHBondContact O-N 2.92Å; F506-G508 VanDerWaalsContact C-N 3.33Å; F506-G508 PolarHBondContact O-N 3.23Å; F506-G508 VanDerWaalsContact O-N 3.09Å
507	L	89.7	Confident	91.6	Very high	28 Å²	28	36.2 Å²	36.2	15%	0.147	22%	0.22	C	C	.	.	S	Bend	trans	-82.9	76.2	175	-69.8	150.9	0	0	0	110.3	S503 F504 P617 F618 L621	S503-L507 WeakPolarHBondContact O-CD1 3.14Å; S503-L507 PolarHBondContact O-N 3.32Å; F504-L507 HydrophobicContact CD1-CB 4.27Å; F504-L507 HydrophobicContact CD1-CD1 3.83Å; F504-L507 HydrophobicContact CE1-CD1 4.26Å; L507-P617 HydrophobicContact CD2-CB 3.9Å; L507-P617 HydrophobicContact CD2-CG 3.97Å; L507-F618 HydrophobicContact CB-CB 4.49Å; L507-F618 HydrophobicContact CB-CD2 4.27Å; L507-L621 HydrophobicContact CD1-CD2 3.49Å; L507-L621 VanDerWaalsContact CD1-CD2 3.49Å
508	G	85.8	Confident	91.2	Very high	19 Å²	19	37.7 Å²	37.7	20%	0.196	23%	0.229	C	C	.	.			trans	-140.8	164.1	171.7	0	0	0	0	0	111.2	F506 T614 N702	F506-G508 VanDerWaalsContact C-N 3.33Å; F506-G508 PolarHBondContact O-N 3.23Å; F506-G508 VanDerWaalsContact O-N 3.09Å; G508-T614 PolarHBondContact O-OG1 3.27Å; G508-N702 VanDerWaalsContact CA-ND2 3.26Å; G508-N702 WeakPolarHBondContact CA-ND2 3.4Å
509	C	90.6	Very high	90.8	Very high	14 Å²	14	38.1 Å²	38.1	10%	0.095	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-82.4	156.4	166.6	-51.6	0	0	0	0	110.1	G445 F446 L610 C612 V698	G445-C509 PolarHBondContact O-SG 3.47Å; F446-C509 WeakPolarHBondContact CD1-SG 3.22Å; C509-L610 HydrophobicContact CB-CD2 3.8Å; C509-C612 HydrophobicContact CB-CB 3.97Å; C509-C612 WeakPolarHBondContact CB-SG 3.42Å; C509-C612 WeakPolarHBondContact SG-CB 3.21Å; C509-C612 CovalentContact SG-SG 2.02Å; C509-C612 PolarHBondContact SG-SG 2.89Å; C509-V698 WeakPolarHBondContact O-CG1 3.36Å
510	G	88.1	Confident	90.3	Very high	50 Å²	50	36.5 Å²	36.5	52%	0.515	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-64	157.7	166.1	0	0	0	0	0	111	L610	G510-L610 VanDerWaalsContact O-CD2 3.23Å; G510-L610 WeakPolarHBondContact O-CD2 3.3Å
511	N	90.4	Very high	89.8	Confident	52 Å²	52	35.5 Å²	35.5	28%	0.278	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-73.3	139.4	168	-70.5	-50.3	0	0	0	109.2	T518 F695 D697 V698	N511-T518 HydrophobicContact CB-CG2 4.1Å; N511-F695 HydrophobicContact CB-CZ 4.49Å; N511-D697 PolarHBondContact ND2-OD1 3Å; N511-V698 PolarHBondContact OD1-N 3.26Å
512	P	88.2	Confident	88.9	Confident	8 Å²	8	37.3 Å²	37.3	5%	0.052	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-63.6	151.1	172.1	27.5	-34	0	0	0	110.9	I514 T518 F695	P512-I514 HydrophobicContact CB-CG1 4.48Å; P512-I514 HydrophobicContact CG-CD1 3.84Å; P512-I514 HydrophobicContact CG-CG1 4.23Å; P512-I514 PolarHBondContact O-N 2.78Å; P512-I514 VanDerWaalsContact O-N 3.11Å; P512-T518 PolarHBondContact O-OG1 3.25Å; P512-F695 HydrophobicContact CG-CE2 3.88Å
513	S	90.1	Very high	87.6	Confident	37 Å²	37	40 Å²	40	26%	0.259	23%	0.233	S	C	.	.			trans	-69	95.7	171.3	26.6	0	0	0	0	109.6	D555 T557	S513-D555 PolarHBondContact OG-O 3.43Å; S513-T557 PolarHBondContact O-N 3.14Å
514	I	91	Very high	86.3	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-111.8	119	175.7	-60.1	154.9	0	0	0	108.9	P512 G516 L517 T518 V519 W546 T557 I559 F695	P512-I514 HydrophobicContact CB-CG1 4.48Å; P512-I514 HydrophobicContact CG-CD1 3.84Å; P512-I514 HydrophobicContact CG-CG1 4.23Å; P512-I514 PolarHBondContact O-N 2.78Å; P512-I514 VanDerWaalsContact O-N 3.11Å; I514-G516 PolarHBondContact O-N 2.9Å; I514-L517 HydrophobicContact CB-CB 4.25Å; I514-L517 HydrophobicContact CG2-CB 4.13Å; I514-L517 HydrophobicContact CG2-CD1 3.9Å; I514-L517 HydrophobicContact CG2-CG 4.26Å; I514-L517 PolarHBondContact O-N 3.47Å; I514-L517 VanDerWaalsContact O-N 3.15Å; I514-T518 PolarHBondContact N-OG1 2.87Å; I514-T518 PolarHBondContact O-N 2.91Å; I514-T518 PolarHBondContact O-OG1 2.76Å; I514-V519 PolarHBondContact O-N 3.2Å; I514-W546 HydrophobicContact CD1-CH2 4.04Å; I514-W546 HydrophobicContact CG2-CH2 4.4Å; I514-T557 VanDerWaalsContact CA-O 3.24Å; I514-T557 WeakPolarHBondContact CA-O 3.22Å; I514-T557 HydrophobicContact CG1-CG2 4.13Å; I514-I559 HydrophobicContact CG2-CG1 4.31Å; I514-F695 HydrophobicContact CD1-CD1 4.25Å; I514-F695 HydrophobicContact CD1-CD2 3.4Å; I514-F695 VanDerWaalsContact CD1-CD2 3.4Å; I514-F695 HydrophobicContact CD1-CE1 4.09Å; I514-F695 HydrophobicContact CD1-CE2 3.2Å; I514-F695 HydrophobicContact CD1-CG 3.96Å; I514-F695 HydrophobicContact CD1-CZ 3.59Å
515	A	89.6	Confident	84.6	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.008	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-58.1	133	179.1	0	0	0	0	0	111.4	L517 V519 Y521 I556 T557 Y558	A515-L517 PolarHBondContact O-N 3.17Å; A515-V519 CarbonylContact C-O 3.12Å; A515-V519 WeakPolarHBondContact CA-O 3.47Å; A515-Y521 HydrophobicContact CB-CD1 4.23Å; A515-Y521 HydrophobicContact CB-CD2 4.29Å; A515-Y521 HydrophobicContact CB-CE1 3.94Å; A515-Y521 HydrophobicContact CB-CE2 3.98Å; A515-Y521 HydrophobicContact CB-CG 4.39Å; A515-I556 HydrophobicContact CB-CG2 4.14Å; A515-T557 PolarHBondContact N-O 2.88Å; A515-Y558 HydrophobicContact CB-CD1 3.57Å; A515-Y558 HydrophobicContact CB-CE1 3.55Å; A515-Y558 HydrophobicContact CB-CG 4.47Å
516	G	87.5	Confident	83	Confident	3 Å²	3	48.4 Å²	48.4	3%	0.031	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	-15.8	-177.8	0	0	0	0	0	115.3	I514 V519 R529 S530	I514-G516 PolarHBondContact O-N 2.9Å; G516-V519 PolarHBondContact N-O 3.26Å; G516-R529 CarbonylContact O-C 3.54Å; G516-S530 VanDerWaalsContact CA-O 3.26Å; G516-S530 WeakPolarHBondContact CA-O 3.49Å
517	L	87.1	Confident	81.3	Confident	29 Å²	29	46.9 Å²	46.9	15%	0.152	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-58.3	-179.8	-69	179.3	0	0	0	113	I514 A515 M531 W546 I559 F682 F695	I514-L517 HydrophobicContact CB-CB 4.25Å; I514-L517 HydrophobicContact CG2-CB 4.13Å; I514-L517 HydrophobicContact CG2-CD1 3.9Å; I514-L517 HydrophobicContact CG2-CG 4.26Å; I514-L517 PolarHBondContact O-N 3.47Å; I514-L517 VanDerWaalsContact O-N 3.15Å; A515-L517 PolarHBondContact O-N 3.17Å; L517-M531 HydrophobicContact CD2-CE 4.31Å; L517-W546 HydrophobicContact CD1-CH2 4.18Å; L517-W546 HydrophobicContact CD1-CZ3 3.83Å; L517-I559 HydrophobicContact CD1-CD1 4.47Å; L517-I559 HydrophobicContact CG-CD1 4.49Å; L517-F682 HydrophobicContact CD1-CB 4.28Å; L517-F682 HydrophobicContact CD1-CD2 4.44Å; L517-F695 HydrophobicContact CD1-CD1 4Å; L517-F695 HydrophobicContact CD1-CG 4.47Å
518	T	88.4	Confident	79.6	Confident	34 Å²	34	47.6 Å²	47.6	21%	0.209	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-29.3	-177.7	61.5	0	0	0	0	112.4	N511 P512 I514 Y527 F695	N511-T518 HydrophobicContact CB-CG2 4.1Å; P512-T518 PolarHBondContact O-OG1 3.25Å; I514-T518 PolarHBondContact N-OG1 2.87Å; I514-T518 PolarHBondContact O-N 2.91Å; I514-T518 PolarHBondContact O-OG1 2.76Å; T518-Y527 PolarHBondContact O-OH 3.16Å; T518-F695 HydrophobicContact CG2-CE1 4.05Å; T518-F695 HydrophobicContact CG2-CZ 3.97Å
519	V	88.4	Confident	78.6	Confident	51 Å²	51	53.9 Å²	53.9	31%	0.309	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-127.7	151.9	175	-61.3	0	0	0	0	110.3	I514 A515 G516 I556	I514-V519 PolarHBondContact O-N 3.2Å; A515-V519 CarbonylContact C-O 3.12Å; A515-V519 WeakPolarHBondContact CA-O 3.47Å; G516-V519 PolarHBondContact N-O 3.26Å; V519-I556 HydrophobicContact CG2-CG2 4.41Å
520	S	85.6	Confident	77.9	Confident	29 Å²	29	55.3 Å²	55.3	20%	0.203	31%	0.312	C	S	.	.			trans	-77.9	159.1	174.4	-67.1	0	0	0	0	111.2
521	Y	85.4	Confident	77.5	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.016	30%	0.301	C	S	.	.			trans	-64.3	149.6	171.3	-80.9	-92.6	0	0	0	110.7	A515 E523 D524 M531 S533 N536 Y558 H563 C584	A515-Y521 HydrophobicContact CB-CD1 4.23Å; A515-Y521 HydrophobicContact CB-CD2 4.29Å; A515-Y521 HydrophobicContact CB-CE1 3.94Å; A515-Y521 HydrophobicContact CB-CE2 3.98Å; A515-Y521 HydrophobicContact CB-CG 4.39Å; Y521-E523 PolarHBondContact O-N 3.08Å; Y521-E523 VanDerWaalsContact O-N 3.09Å; Y521-D524 PolarHBondContact O-N 2.95Å; Y521-D524 VanDerWaalsContact O-N 3.11Å; Y521-M531 PolarHBondContact OH-O 2.94Å; Y521-S533 WeakPolarHBondContact CB-OG 3.48Å; Y521-S533 VanDerWaalsContact CG-CB 3.45Å; Y521-N536 PolarHBondContact OH-ND2 2.71Å; Y521-Y558 HydrophobicContact CD1-CE1 4.08Å; Y521-Y558 AromaticContact CE1-CD1 3.83Å; Y521-Y558 HydrophobicContact CE1-CD1 3.83Å; Y521-Y558 AromaticContact CE1-CE1 3.66Å; Y521-Y558 HydrophobicContact CE1-CE1 3.66Å; Y521-H563 WeakPolarHBondContact CE1-O 3.45Å; Y521-H563 PolarHBondContact OH-O 3.43Å; Y521-C584 HydrophobicContact CD1-CB 3.95Å; Y521-C584 HydrophobicContact CE1-CB 3.9Å
522	P	73.9	Confident	77.1	Confident	65 Å²	65	56.2 Å²	56.2	42%	0.422	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.5	-173.7	-27	35.2	0	0	0	115.5
523	E	69.2	Low	76.8	Confident	109 Å²	109	56.2 Å²	56.2	51%	0.509	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-12	-178	-62.5	-174.8	160.9	0	0	113.9	Y521 S525	Y521-E523 PolarHBondContact O-N 3.08Å; Y521-E523 VanDerWaalsContact O-N 3.09Å; E523-S525 PolarHBondContact O-N 2.91Å
524	D	65.7	Low	76.6	Confident	41 Å²	41	59.6 Å²	59.6	22%	0.219	32%	0.322	C	S	.	.			trans	-83.7	108.1	-176.9	-75.4	-34.4	0	0	0	111.1	Y521 L526 S533	Y521-D524 PolarHBondContact O-N 2.95Å; Y521-D524 VanDerWaalsContact O-N 3.11Å; D524-L526 VanDerWaalsContact C-N 3.28Å; D524-L526 PolarHBondContact O-N 3.3Å; D524-S533 VanDerWaalsContact CG-OG 3.27Å; D524-S533 PolarHBondContact OD1-OG 3.35Å; D524-S533 WeakPolarHBondContact OD2-CB 3.34Å; D524-S533 PolarHBondContact OD2-OG 3Å
525	S	58.9	Low	76.4	Confident	133 Å²	133	60.5 Å²	60.5	93%	0.93	33%	0.329	S	S	*	.	S	Bend	trans	-71.1	-19.5	175.7	57	0	0	0	0	114.1	E523	E523-S525 PolarHBondContact O-N 2.91Å
526	L	58.4	Low	76.3	Confident	134 Å²	134	60.5 Å²	60.5	70%	0.702	33%	0.328	S	S	*	.	S	Bend	trans	-106.2	138.7	177.1	-134.9	120.5	0	0	0	108.3	D524 S528	D524-L526 VanDerWaalsContact C-N 3.28Å; D524-L526 PolarHBondContact O-N 3.3Å; L526-S528 PolarHBondContact O-N 3.09Å
527	Y	54.4	Low	76.2	Confident	144 Å²	144	63 Å²	63	57%	0.565	35%	0.349	S	S	*	.			trans	-68	66.7	174.8	-160.4	-99.3	0	0	0	110.4	T518 R529	T518-Y527 PolarHBondContact O-OH 3.16Å; Y527-R529 HydrophobicContact CD1-CG 4.39Å; Y527-R529 HydrophobicContact CE1-CG 4.11Å
528	S	55.4	Low	76.1	Confident	42 Å²	42	66.9 Å²	66.9	29%	0.294	37%	0.37	S	S	.	.			trans	-85.6	116.8	172.8	96.6	0	0	0	0	106.7	L526 S530	L526-S528 PolarHBondContact O-N 3.09Å; S528-S530 PolarHBondContact O-N 2.6Å; S528-S530 VanDerWaalsContact O-N 3.07Å
529	R	63.6	Low	76	Confident	152 Å²	152	65.7 Å²	65.7	57%	0.574	36%	0.363	S	S	*	.			trans	-83.8	59.6	170.5	-65.2	-173	-155.6	-167.5	-0.1	108.8	G516 Y527	G516-R529 CarbonylContact O-C 3.54Å; Y527-R529 HydrophobicContact CD1-CG 4.39Å; Y527-R529 HydrophobicContact CE1-CG 4.11Å
530	S	77.1	Confident	75.8	Confident	44 Å²	44	68.3 Å²	68.3	31%	0.308	38%	0.383	S	S	.	.			trans	-102	137.8	173.4	177	0	0	0	0	108.2	G516 S528 L532	G516-S530 VanDerWaalsContact CA-O 3.26Å; G516-S530 WeakPolarHBondContact CA-O 3.49Å; S528-S530 PolarHBondContact O-N 2.6Å; S528-S530 VanDerWaalsContact O-N 3.07Å; S530-L532 VanDerWaalsContact CB-O 3.32Å; S530-L532 WeakPolarHBondContact CB-O 3.47Å; S530-L532 PolarHBondContact O-N 3.26Å; S530-L532 PolarHBondContact OG-N 3.25Å; S530-L532 VanDerWaalsContact OG-N 3.13Å; S530-L532 PolarHBondContact OG-O 2.95Å
531	M	78.8	Confident	75.8	Confident	56 Å²	56	67.7 Å²	67.7	28%	0.276	38%	0.379	S	S	.	.	S	Bend	trans	-72.2	-16.4	171.2	-58	175	-163.2	0	0	111.6	L517 Y521 N536 I559 F682	L517-M531 HydrophobicContact CD2-CE 4.31Å; Y521-M531 PolarHBondContact OH-O 2.94Å; M531-N536 PolarHBondContact O-ND2 2.89Å; M531-I559 HydrophobicContact CB-CD1 4.15Å; M531-I559 HydrophobicContact CG-CD1 3.75Å; M531-I559 HydrophobicContact SD-CD1 3.91Å; M531-F682 HydrophobicContact CE-CD2 3.67Å; M531-F682 HydrophobicContact CE-CE2 3.59Å; M531-F682 HydrophobicContact SD-CD2 4.36Å; M531-F682 HydrophobicContact SD-CE2 3.76Å
532	L	81.5	Confident	75.7	Confident	65 Å²	65	71.7 Å²	71.7	34%	0.34	40%	0.4	S	S	.	.			trans	-105	131.3	177.6	-72.9	149.9	0	0	0	109.8	S530 N536	S530-L532 VanDerWaalsContact CB-O 3.32Å; S530-L532 WeakPolarHBondContact CB-O 3.47Å; S530-L532 PolarHBondContact O-N 3.26Å; S530-L532 PolarHBondContact OG-N 3.25Å; S530-L532 VanDerWaalsContact OG-N 3.13Å; S530-L532 PolarHBondContact OG-O 2.95Å; L532-N536 WeakPolarHBondContact CA-OD1 3.16Å
533	S	83.5	Confident	76.1	Confident	7 Å²	7	73.9 Å²	73.9	5%	0.049	41%	0.405	C	S	.	.			trans	-134.6	171.9	176.3	-171.7	0	0	0	0	109.6	Y521 D524 C535 N536 A537	Y521-S533 WeakPolarHBondContact CB-OG 3.48Å; Y521-S533 VanDerWaalsContact CG-CB 3.45Å; D524-S533 VanDerWaalsContact CG-OG 3.27Å; D524-S533 PolarHBondContact OD1-OG 3.35Å; D524-S533 WeakPolarHBondContact OD2-CB 3.34Å; D524-S533 PolarHBondContact OD2-OG 3Å; S533-C535 PolarHBondContact O-N 3.18Å; S533-N536 PolarHBondContact N-OD1 3.49Å; S533-N536 PolarHBondContact O-N 3.33Å; S533-N536 VanDerWaalsContact O-N 3.09Å; S533-N536 PolarHBondContact O-OD1 3.25Å; S533-A537 WeakPolarHBondContact O-CB 3.44Å; S533-A537 PolarHBondContact O-N 2.97Å
534	V	84.7	Confident	76.6	Confident	108 Å²	108	72 Å²	72	66%	0.655	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-39.7	-177.4	-178.4	0	0	0	0	111.7	N536	V534-N536 VanDerWaalsContact C-N 3.33Å; V534-N536 PolarHBondContact O-N 3.1Å
535	C	87.1	Confident	77.3	Confident	20 Å²	20	71.6 Å²	71.6	14%	0.135	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-23.4	-178.5	65.1	0	0	0	0	114.9	S533 A583 C584	S533-C535 PolarHBondContact O-N 3.18Å; C535-A583 HydrophobicContact CB-CB 4.37Å; C535-C584 HydrophobicContact CB-CB 3.99Å; C535-C584 WeakPolarHBondContact CB-SG 3.4Å; C535-C584 VanDerWaalsContact SG-CA 3.54Å; C535-C584 WeakPolarHBondContact SG-CB 2.99Å; C535-C584 CovalentContact SG-SG 2.04Å; C535-C584 PolarHBondContact SG-SG 3.02Å
536	N	88.7	Confident	78.6	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-2.7	-177.3	69.5	10.8	0	0	0	114.7	Y521 M531 L532 S533 V534 N538 C539 H563	Y521-N536 PolarHBondContact OH-ND2 2.71Å; M531-N536 PolarHBondContact O-ND2 2.89Å; L532-N536 WeakPolarHBondContact CA-OD1 3.16Å; S533-N536 PolarHBondContact N-OD1 3.49Å; S533-N536 PolarHBondContact O-N 3.33Å; S533-N536 VanDerWaalsContact O-N 3.09Å; S533-N536 PolarHBondContact O-OD1 3.25Å; V534-N536 VanDerWaalsContact C-N 3.33Å; V534-N536 PolarHBondContact O-N 3.1Å; N536-N538 PolarHBondContact O-N 3.36Å; N536-N538 VanDerWaalsContact O-N 3.09Å; N536-C539 VanDerWaalsContact O-CB 3.31Å; N536-C539 WeakPolarHBondContact O-CB 3.5Å; N536-C539 PolarHBondContact O-N 3.27Å; N536-C539 PolarHBondContact O-SG 3.43Å; N536-H563 PolarHBondContact ND2-O 3.27Å
537	A	84.9	Confident	80	Confident	56 Å²	56	60.2 Å²	60.2	46%	0.463	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-56.3	-30.4	-177.9	0	0	0	0	0	113.4	S533	S533-A537 WeakPolarHBondContact O-CB 3.44Å; S533-A537 PolarHBondContact O-N 2.97Å
538	N	85.5	Confident	81.7	Confident	111 Å²	111	53.5 Å²	53.5	59%	0.594	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-88.8	0.7	-178.6	-69.9	-14.9	0	0	0	114.5	S170 N536	S170-N538 PolarHBondContact N-O 3.14Å; N536-N538 PolarHBondContact O-N 3.36Å; N536-N538 VanDerWaalsContact O-N 3.09Å
539	C	85.2	Confident	83.3	Confident	8 Å²	8	51.5 Å²	51.5	5%	0.054	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-88.8	-9.5	-174.3	-56.8	0	0	0	0	114.3	C167 N536 C541 C562	C167-C539 HydrophobicContact CB-CB 3.67Å; C167-C539 WeakPolarHBondContact CB-SG 3.35Å; C167-C539 WeakPolarHBondContact SG-CB 3.12Å; C167-C539 CovalentContact SG-SG 2.02Å; C167-C539 PolarHBondContact SG-SG 3.35Å; N536-C539 VanDerWaalsContact O-CB 3.31Å; N536-C539 WeakPolarHBondContact O-CB 3.5Å; N536-C539 PolarHBondContact O-N 3.27Å; N536-C539 PolarHBondContact O-SG 3.43Å; C539-C541 VanDerWaalsContact C-N 3.29Å; C539-C541 VanDerWaalsContact CB-SG 3.52Å; C539-C541 PolarHBondContact O-N 2.95Å; C539-C562 VanDerWaalsContact CB-SG 3.55Å
540	S	84.8	Confident	84.6	Confident	106 Å²	106	44.6 Å²	44.6	74%	0.741	26%	0.26	S	S	*	.			trans	48.7	44.3	-175.1	-57.9	0	0	0	0	114
541	C	86.1	Confident	85.4	Confident	16 Å²	16	43 Å²	43	11%	0.108	25%	0.248	C	C	.	.			trans	-65.5	144.3	-175.9	-55.2	0	0	0	0	113	C539 Q543 C562	C539-C541 VanDerWaalsContact C-N 3.29Å; C539-C541 VanDerWaalsContact CB-SG 3.52Å; C539-C541 PolarHBondContact O-N 2.95Å; C541-Q543 PolarHBondContact O-N 2.93Å; C541-C562 WeakPolarHBondContact CA-SG 3.27Å; C541-C562 HydrophobicContact CB-CB 3.91Å; C541-C562 WeakPolarHBondContact CB-SG 3.28Å; C541-C562 WeakPolarHBondContact SG-CB 3.49Å; C541-C562 PolarHBondContact SG-O 3.21Å; C541-C562 VanDerWaalsContact SG-O 3.33Å; C541-C562 CovalentContact SG-SG 2.05Å; C541-C562 PolarHBondContact SG-SG 3.12Å
542	N	83.2	Confident	85.7	Confident	88 Å²	88	44.4 Å²	44.4	47%	0.471	26%	0.256	S	S	.	.			trans	-68.9	114.2	172.1	-177	-1.5	0	0	0	110.5	N544 E545 H563	N542-N544 PolarHBondContact O-N 2.8Å; N542-N544 PolarHBondContact OD1-N 3.49Å; N542-E545 HydrophobicContact CB-CB 4.06Å; N542-E545 PolarHBondContact O-N 2.98Å; N542-H563 PolarHBondContact O-CE1 3.07Å
543	Q	82	Confident	85.9	Confident	111 Å²	111	44.4 Å²	44.4	52%	0.519	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.7	-178.3	-64.6	-174.8	-3.9	0	0	113.9	C541 F682	C541-Q543 PolarHBondContact O-N 2.93Å; Q543-F682 WeakPolarHBondContact O-CZ 3.27Å
544	N	79.3	Confident	86.1	Confident	70 Å²	70	46 Å²	46	37%	0.374	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-6.4	-176.4	-61.7	-37	0	0	0	113.6	N542 S685	N542-N544 PolarHBondContact O-N 2.8Å; N542-N544 PolarHBondContact OD1-N 3.49Å; N544-S685 WeakPolarHBondContact CB-O 3.49Å
545	E	81	Confident	86.3	Confident	32 Å²	32	45 Å²	45	15%	0.15	27%	0.268	C	S	.	.			trans	-79.1	142.7	-179.5	-173	177.3	178.5	0	0	111	N542 I559	N542-E545 HydrophobicContact CB-CB 4.06Å; N542-E545 PolarHBondContact O-N 2.98Å; E545-I559 WeakPolarHBondContact O-CG2 3.21Å
546	W	85.4	Confident	86.5	Confident	11 Å²	11	45.7 Å²	45.7	4%	0.042	27%	0.27	C	S	.	.			trans	-134.7	100	171.9	-179.5	-88.3	0	0	0	109.3	I514 L517 P548 I559 F682 R684 A694 F695	I514-W546 HydrophobicContact CD1-CH2 4.04Å; I514-W546 HydrophobicContact CG2-CH2 4.4Å; L517-W546 HydrophobicContact CD1-CH2 4.18Å; L517-W546 HydrophobicContact CD1-CZ3 3.83Å; W546-P548 HydrophobicContact CZ2-CB 4.37Å; W546-I559 HydrophobicContact CE3-CB 4.5Å; W546-I559 HydrophobicContact CE3-CG1 4.42Å; W546-I559 HydrophobicContact CE3-CG2 3.9Å; W546-I559 HydrophobicContact CZ3-CB 4.48Å; W546-I559 HydrophobicContact CZ3-CG1 3.97Å; W546-I559 HydrophobicContact CZ3-CG2 4.32Å; W546-F682 HydrophobicContact CB-CE1 4.02Å; W546-F682 HydrophobicContact CD2-CD1 4.32Å; W546-F682 HydrophobicContact CD2-CE1 4.47Å; W546-F682 AromaticContact CE3-CD1 3.59Å; W546-F682 HydrophobicContact CE3-CD1 3.59Å; W546-F682 HydrophobicContact CE3-CD2 4.49Å; W546-F682 AromaticContact CE3-CE1 3.78Å; W546-F682 HydrophobicContact CE3-CE1 3.78Å; W546-F682 AromaticContact CE3-CG 3.97Å; W546-F682 HydrophobicContact CE3-CG 3.97Å; W546-F682 HydrophobicContact CE3-CZ 4.31Å; W546-F682 HydrophobicContact CZ3-CB 4.38Å; W546-F682 HydrophobicContact CZ3-CD1 4.2Å; W546-F682 HydrophobicContact CZ3-CG 4.12Å; W546-R684 HydrophobicContact CB-CG 4.2Å; W546-R684 PolarHBondContact O-NH2 2.72Å; W546-A694 HydrophobicContact CB-CB 3.85Å; W546-A694 HydrophobicContact CD2-CB 3.66Å; W546-A694 HydrophobicContact CE3-CB 4.19Å; W546-A694 HydrophobicContact CG-CB 3.47Å; W546-A694 VanDerWaalsContact CG-CB 3.47Å; W546-F695 HydrophobicContact CH2-CB 3.62Å; W546-F695 HydrophobicContact CH2-CD2 4.32Å; W546-F695 HydrophobicContact CH2-CG 4.08Å; W546-F695 HydrophobicContact CZ2-CB 3.95Å; W546-F695 HydrophobicContact CZ2-CD2 4.49Å; W546-F695 HydrophobicContact CZ3-CB 4.06Å
547	S	87.3	Confident	86.7	Confident	17 Å²	17	45.7 Å²	45.7	12%	0.119	27%	0.27	C	S	.	.			trans	-133.6	72.9	176.4	172.5	0	0	0	0	107.5	I559 S560	S547-I559 CarbonylContact C-O 3.6Å; S547-I559 PolarHBondContact N-O 3.19Å; S547-S560 WeakPolarHBondContact O-CA 3.44Å
548	P	90	Very high	87	Confident	3 Å²	3	43 Å²	43	2%	0.019	25%	0.248	C	C	.	.			trans	-62	144.7	-164.9	25.7	-34.7	0	0	0	111.4	P279 W546 T557 Y558 G606 E607	P279-P548 HydrophobicContact CB-CG 4.49Å; P279-P548 HydrophobicContact CG-CG 4.36Å; W546-P548 HydrophobicContact CZ2-CB 4.37Å; P548-T557 HydrophobicContact CB-CG2 3.87Å; P548-Y558 VanDerWaalsContact CA-O 3.24Å; P548-Y558 WeakPolarHBondContact CA-O 3.43Å; P548-G606 CarbonylContact C-O 3.54Å; P548-G606 CarbonylContact O-C 3.56Å; P548-G606 PolarHBondContact O-N 3.33Å; P548-E607 HydrophobicContact CB-CG 3.92Å; P548-E607 HydrophobicContact CG-CG 3.91Å
549	V	90	Very high	87.3	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	139.1	174.9	-61.5	0	0	0	0	110.6	T557 Y558 P561 A564 F579 T603 K604 G606	V549-T557 CarbonylContact O-C 3.45Å; V549-T557 VanDerWaalsContact O-CA 3.3Å; V549-T557 WeakPolarHBondContact O-CA 3.47Å; V549-Y558 PolarHBondContact N-O 2.57Å; V549-Y558 PolarHBondContact O-N 3.3Å; V549-P561 HydrophobicContact CG1-CB 4.33Å; V549-P561 HydrophobicContact CG1-CG 3.73Å; V549-A564 HydrophobicContact CG2-CB 4.19Å; V549-F579 HydrophobicContact CG1-CD2 3.86Å; V549-F579 HydrophobicContact CG1-CE2 3.72Å; V549-T603 HydrophobicContact CB-CG2 3.63Å; V549-T603 HydrophobicContact CG2-CG2 3.59Å; V549-K604 CarbonylContact C-O 3.45Å; V549-K604 WeakPolarHBondContact CA-O 3.38Å; V549-K604 WeakPolarHBondContact CB-O 3.14Å; V549-G606 CarbonylContact C-O 3.41Å; V549-G606 VanDerWaalsContact C-O 3.26Å; V549-G606 VanDerWaalsContact CA-O 3.3Å; V549-G606 WeakPolarHBondContact CA-O 3.41Å; V549-G606 PolarHBondContact N-O 3.36Å
550	C	91.4	Very high	87.5	Confident	8 Å²	8	37.3 Å²	37.3	5%	0.054	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123.6	179.3	177.5	0	0	0	0	110.8	T603 K604 G606 C608	C550-T603 CarbonylContact O-C 3.59Å; C550-T603 VanDerWaalsContact O-CA 3.27Å; C550-T603 WeakPolarHBondContact O-CA 2.94Å; C550-T603 WeakPolarHBondContact O-CG2 3.47Å; C550-K604 PolarHBondContact N-O 3.4Å; C550-K604 PolarHBondContact O-N 2.81Å; C550-G606 PolarHBondContact N-O 3.34Å; C550-G606 VanDerWaalsContact N-O 3.07Å; C550-C608 WeakPolarHBondContact CA-SG 3.48Å; C550-C608 HydrophobicContact CB-CB 3.93Å; C550-C608 WeakPolarHBondContact CB-SG 3.48Å; C550-C608 WeakPolarHBondContact SG-CA 3.3Å; C550-C608 WeakPolarHBondContact SG-CB 3.31Å; C550-C608 CovalentContact SG-SG 2.03Å; C550-C608 PolarHBondContact SG-SG 3.34Å
551	H	92.1	Very high	87.8	Confident	9 Å²	9	32.3 Å²	32.3	4%	0.042	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	110	168	176.8	-118	0	0	0	110	A553 S554 D555 I556 Y558 T585 D601	H551-A553 VanDerWaalsContact C-N 3.31Å; H551-A553 PolarHBondContact O-N 3.44Å; H551-S554 VanDerWaalsContact ND1-CB 3.32Å; H551-S554 WeakPolarHBondContact ND1-CB 3.41Å; H551-S554 PolarHBondContact ND1-N 3.13Å; H551-S554 PolarHBondContact ND1-OG 2.87Å; H551-S554 PolarHBondContact O-N 3.12Å; H551-D555 PolarHBondContact O-N 3.27Å; H551-I556 PolarHBondContact N-O 3.14Å; H551-Y558 HydrophobicContact CB-CE2 4.05Å; H551-T585 HydrophobicContact CB-CG2 3.88Å; H551-D601 IonicContact CD2-OD1 2.88Å; H551-D601 IonicContact NE2-OD1 3.56Å; H551-D601 PolarHBondContact NE2-OD1 3.44Å; H551-D601 VanDerWaalsContact NE2-OD1 3.13Å
552	L	86.7	Confident	88.1	Confident	87 Å²	87	31.7 Å²	31.7	46%	0.455	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-30.7	-168.4	-67.7	174.9	0	0	0	114.3	V602 K604	L552-V602 HydrophobicContact CD1-CB 4.39Å; L552-V602 HydrophobicContact CD1-CG1 4.45Å; L552-V602 PolarHBondContact N-O 3.31Å; L552-K604 HydrophobicContact CD1-CD 3.88Å; L552-K604 HydrophobicContact CD1-CG 4.19Å; L552-K604 HydrophobicContact CD2-CD 4.32Å; L552-K604 HydrophobicContact CG-CD 4.41Å
553	A	85.6	Confident	88.4	Confident	64 Å²	64	27.5 Å²	27.5	53%	0.529	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-30.7	-177.5	0	0	0	0	0	113.1	H551 T600	H551-A553 VanDerWaalsContact C-N 3.31Å; H551-A553 PolarHBondContact O-N 3.44Å; A553-T600 WeakPolarHBondContact CB-O 3.29Å
554	S	86.5	Confident	88.9	Confident	42 Å²	42	22.2 Å²	22.2	29%	0.294	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-8.8	179.5	73.1	0	0	0	0	113.9	H551 I556	H551-S554 VanDerWaalsContact ND1-CB 3.32Å; H551-S554 WeakPolarHBondContact ND1-CB 3.41Å; H551-S554 PolarHBondContact ND1-N 3.13Å; H551-S554 PolarHBondContact ND1-OG 2.87Å; H551-S554 PolarHBondContact O-N 3.12Å; S554-I556 PolarHBondContact O-N 3.24Å
555	D	89	Confident	89.4	Confident	87 Å²	87	18.9 Å²	18.9	47%	0.465	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	40.1	-174.2	-158.9	34.8	0	0	0	112.3	S513 H551 C608	S513-D555 PolarHBondContact OG-O 3.43Å; H551-D555 PolarHBondContact O-N 3.27Å; D555-C608 VanDerWaalsContact OD1-CB 3.26Å; D555-C608 WeakPolarHBondContact OD1-CB 3.45Å
556	I	91.3	Very high	89.9	Confident	33 Å²	33	17.4 Å²	17.4	17%	0.169	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.5	177.6	-67	163.7	0	0	0	108.7	A515 V519 H551 S554 Y558 C608	A515-I556 HydrophobicContact CB-CG2 4.14Å; V519-I556 HydrophobicContact CG2-CG2 4.41Å; H551-I556 PolarHBondContact N-O 3.14Å; S554-I556 PolarHBondContact O-N 3.24Å; I556-Y558 HydrophobicContact CB-CE2 4.26Å; I556-Y558 HydrophobicContact CG2-CD2 4.39Å; I556-Y558 HydrophobicContact CG2-CE1 4.36Å; I556-Y558 HydrophobicContact CG2-CE2 3.85Å; I556-C608 VanDerWaalsContact C-SG 3.57Å
557	T	92.5	Very high	90	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	138.3	172.5	-56.8	0	0	0	0	110.1	S513 I514 A515 P548 V549 E607 C608	S513-T557 PolarHBondContact O-N 3.14Å; I514-T557 VanDerWaalsContact CA-O 3.24Å; I514-T557 WeakPolarHBondContact CA-O 3.22Å; I514-T557 HydrophobicContact CG1-CG2 4.13Å; A515-T557 PolarHBondContact N-O 2.88Å; P548-T557 HydrophobicContact CB-CG2 3.87Å; V549-T557 CarbonylContact O-C 3.45Å; V549-T557 VanDerWaalsContact O-CA 3.3Å; V549-T557 WeakPolarHBondContact O-CA 3.47Å; T557-E607 HydrophobicContact CG2-CB 4.34Å; T557-E607 HydrophobicContact CG2-CG 4.28Å; T557-C608 PolarHBondContact OG1-N 3.17Å; T557-C608 PolarHBondContact OG1-SG 3.02Å
558	Y	92.6	Very high	89.8	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	148.7	172.3	-63	-91.5	0	0	0	109.7	A515 Y521 P548 V549 H551 I556 S560 A564 C584 T585	A515-Y558 HydrophobicContact CB-CD1 3.57Å; A515-Y558 HydrophobicContact CB-CE1 3.55Å; A515-Y558 HydrophobicContact CB-CG 4.47Å; Y521-Y558 HydrophobicContact CD1-CE1 4.08Å; Y521-Y558 AromaticContact CE1-CD1 3.83Å; Y521-Y558 HydrophobicContact CE1-CD1 3.83Å; Y521-Y558 AromaticContact CE1-CE1 3.66Å; Y521-Y558 HydrophobicContact CE1-CE1 3.66Å; P548-Y558 VanDerWaalsContact CA-O 3.24Å; P548-Y558 WeakPolarHBondContact CA-O 3.43Å; V549-Y558 PolarHBondContact N-O 2.57Å; V549-Y558 PolarHBondContact O-N 3.3Å; H551-Y558 HydrophobicContact CB-CE2 4.05Å; I556-Y558 HydrophobicContact CB-CE2 4.26Å; I556-Y558 HydrophobicContact CG2-CD2 4.39Å; I556-Y558 HydrophobicContact CG2-CE1 4.36Å; I556-Y558 HydrophobicContact CG2-CE2 3.85Å; Y558-S560 VanDerWaalsContact C-N 3.28Å; Y558-S560 PolarHBondContact O-N 2.68Å; Y558-A564 HydrophobicContact CD1-CB 4.07Å; Y558-A564 HydrophobicContact CD2-CB 3.87Å; Y558-A564 HydrophobicContact CG-CB 3.63Å; Y558-C584 HydrophobicContact CE1-CB 3.94Å; Y558-C584 PolarHBondContact OH-O 3.41Å; Y558-T585 HydrophobicContact CE2-CG2 4.11Å
559	I	91	Very high	89.6	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-58.7	-39	-175.6	-64.1	174	0	0	0	112.3	I514 L517 M531 E545 W546 S547 H563 F682	I514-I559 HydrophobicContact CG2-CG1 4.31Å; L517-I559 HydrophobicContact CD1-CD1 4.47Å; L517-I559 HydrophobicContact CG-CD1 4.49Å; M531-I559 HydrophobicContact CB-CD1 4.15Å; M531-I559 HydrophobicContact CG-CD1 3.75Å; M531-I559 HydrophobicContact SD-CD1 3.91Å; E545-I559 WeakPolarHBondContact O-CG2 3.21Å; W546-I559 HydrophobicContact CE3-CB 4.5Å; W546-I559 HydrophobicContact CE3-CG1 4.42Å; W546-I559 HydrophobicContact CE3-CG2 3.9Å; W546-I559 HydrophobicContact CZ3-CB 4.48Å; W546-I559 HydrophobicContact CZ3-CG1 3.97Å; W546-I559 HydrophobicContact CZ3-CG2 4.32Å; S547-I559 CarbonylContact C-O 3.6Å; S547-I559 PolarHBondContact N-O 3.19Å; I559-H563 HydrophobicContact CB-CB 4.29Å; I559-F682 HydrophobicContact CD1-CE2 4.4Å; I559-F682 HydrophobicContact CG2-CZ 4.36Å
560	S	90.6	Very high	89.2	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-152.1	167.4	174.5	79.2	0	0	0	0	111	S547 Y558 C562 H563 A564	S547-S560 WeakPolarHBondContact O-CA 3.44Å; Y558-S560 VanDerWaalsContact C-N 3.28Å; Y558-S560 PolarHBondContact O-N 2.68Å; S560-C562 PolarHBondContact O-N 2.02Å; S560-C562 PolarHBondContact OG-N 3.11Å; S560-H563 PolarHBondContact O-N 3.46Å; S560-H563 VanDerWaalsContact O-N 3.09Å; S560-H563 PolarHBondContact OG-N 3.33Å; S560-H563 PolarHBondContact OG-ND1 3.22Å; S560-A564 PolarHBondContact O-N 2.64Å; S560-A564 VanDerWaalsContact O-N 3.12Å
561	P	90.4	Very high	88.6	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-32.1	175.3	-11.5	22.5	0	0	0	112.5	Q165 V549 A564 G565 C566 F579	Q165-P561 HydrophobicContact CB-CG 4.14Å; Q165-P561 CarbonylContact O-C 3.51Å; Q165-P561 VanDerWaalsContact O-CB 3.28Å; Q165-P561 WeakPolarHBondContact O-CB 3.26Å; V549-P561 HydrophobicContact CG1-CB 4.33Å; V549-P561 HydrophobicContact CG1-CG 3.73Å; P561-A564 PolarHBondContact O-N 3.46Å; P561-G565 PolarHBondContact O-N 3.21Å; P561-C566 HydrophobicContact CB-CB 4.3Å; P561-C566 WeakPolarHBondContact O-CB 3.27Å; P561-C566 PolarHBondContact O-N 2.83Å; P561-F579 HydrophobicContact CB-CD1 3.58Å; P561-F579 HydrophobicContact CB-CD2 4.34Å; P561-F579 HydrophobicContact CB-CE1 3.62Å; P561-F579 HydrophobicContact CB-CE2 4.38Å; P561-F579 HydrophobicContact CB-CG 3.96Å; P561-F579 HydrophobicContact CB-CZ 4.03Å; P561-F579 HydrophobicContact CG-CD1 3.95Å; P561-F579 HydrophobicContact CG-CD2 4.28Å; P561-F579 HydrophobicContact CG-CE1 3.46Å; P561-F579 VanDerWaalsContact CG-CE1 3.46Å; P561-F579 HydrophobicContact CG-CE2 3.85Å; P561-F579 HydrophobicContact CG-CG 4.33Å; P561-F579 HydrophobicContact CG-CZ 3.41Å; P561-F579 VanDerWaalsContact CG-CZ 3.41Å
562	C	91.2	Very high	87.6	Confident	3 Å²	3	36.4 Å²	36.4	2%	0.02	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-44.3	172.7	-175.3	0	0	0	0	111.5	Q165 C539 C541 S560 A564 G565	Q165-C562 WeakPolarHBondContact O-CB 3.3Å; Q165-C562 PolarHBondContact O-N 2.88Å; C539-C562 VanDerWaalsContact CB-SG 3.55Å; C541-C562 WeakPolarHBondContact CA-SG 3.27Å; C541-C562 HydrophobicContact CB-CB 3.91Å; C541-C562 WeakPolarHBondContact CB-SG 3.28Å; C541-C562 WeakPolarHBondContact SG-CB 3.49Å; C541-C562 PolarHBondContact SG-O 3.21Å; C541-C562 VanDerWaalsContact SG-O 3.33Å; C541-C562 CovalentContact SG-SG 2.05Å; C541-C562 PolarHBondContact SG-SG 3.12Å; S560-C562 PolarHBondContact O-N 2.02Å; S560-C562 PolarHBondContact OG-N 3.11Å; C562-A564 PolarHBondContact O-N 2.96Å; C562-G565 WeakPolarHBondContact O-CA 3.26Å; C562-G565 PolarHBondContact O-N 3.14Å
563	H	91.3	Very high	86.7	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.8	177.4	-71.4	94.2	0	0	0	113.3	Y521 N536 N542 I559 S560 G565	Y521-H563 WeakPolarHBondContact CE1-O 3.45Å; Y521-H563 PolarHBondContact OH-O 3.43Å; N536-H563 PolarHBondContact ND2-O 3.27Å; N542-H563 PolarHBondContact O-CE1 3.07Å; I559-H563 HydrophobicContact CB-CB 4.29Å; S560-H563 PolarHBondContact O-N 3.46Å; S560-H563 VanDerWaalsContact O-N 3.09Å; S560-H563 PolarHBondContact OG-N 3.33Å; S560-H563 PolarHBondContact OG-ND1 3.22Å; H563-G565 VanDerWaalsContact C-N 3.29Å
564	A	91.1	Very high	85.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-8	168.8	0	0	0	0	0	113	V549 Y558 S560 P561 C562 C566 C582 A583 C584	V549-A564 HydrophobicContact CG2-CB 4.19Å; Y558-A564 HydrophobicContact CD1-CB 4.07Å; Y558-A564 HydrophobicContact CD2-CB 3.87Å; Y558-A564 HydrophobicContact CG-CB 3.63Å; S560-A564 PolarHBondContact O-N 2.64Å; S560-A564 VanDerWaalsContact O-N 3.12Å; P561-A564 PolarHBondContact O-N 3.46Å; C562-A564 PolarHBondContact O-N 2.96Å; A564-C566 VanDerWaalsContact CB-SG 3.6Å; A564-C582 HydrophobicContact CB-CB 4.49Å; A564-C582 CarbonylContact O-C 3.59Å; A564-C582 WeakPolarHBondContact O-CB 3.47Å; A564-A583 PolarHBondContact O-N 3.12Å; A564-C584 VanDerWaalsContact O-CB 3.31Å; A564-C584 WeakPolarHBondContact O-CB 3.23Å; A564-C584 PolarHBondContact O-N 3.15Å
565	G	90.2	Very high	84.6	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	22.8	-177.4	0	0	0	0	0	113.7	P561 C562 H563 K581 C582 A583	P561-G565 PolarHBondContact O-N 3.21Å; C562-G565 WeakPolarHBondContact O-CA 3.26Å; C562-G565 PolarHBondContact O-N 3.14Å; H563-G565 VanDerWaalsContact C-N 3.29Å; G565-K581 VanDerWaalsContact O-O 3.13Å; G565-C582 WeakPolarHBondContact O-CA 3.37Å; G565-A583 PolarHBondContact O-N 3.38Å; G565-A583 VanDerWaalsContact O-N 3.08Å
566	C	90.9	Very high	83.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	129.7	-176.7	-55.6	0	0	0	0	111.9	L166 C167 P561 A564 F579 C582	L166-C566 HydrophobicContact CD2-CB 4.36Å; L166-C566 WeakPolarHBondContact CD2-O 3.17Å; C167-C566 PolarHBondContact N-O 3.23Å; P561-C566 HydrophobicContact CB-CB 4.3Å; P561-C566 WeakPolarHBondContact O-CB 3.27Å; P561-C566 PolarHBondContact O-N 2.83Å; A564-C566 VanDerWaalsContact CB-SG 3.6Å; C566-F579 HydrophobicContact CB-CB 4Å; C566-C582 HydrophobicContact CB-CB 4.1Å; C566-C582 WeakPolarHBondContact CB-SG 3.38Å; C566-C582 WeakPolarHBondContact SG-CB 3.41Å; C566-C582 CovalentContact SG-SG 2.04Å; C566-C582 PolarHBondContact SG-SG 3Å
567	Q	87.7	Confident	82.9	Confident	89 Å²	89	44.2 Å²	44.2	42%	0.416	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-28.8	179.6	-64.4	176.8	-5.1	0	0	113.1	L169 R580 K581	L169-Q567 VanDerWaalsContact CD1-NE2 3.29Å; Q567-R580 PolarHBondContact N-O 2.86Å; Q567-K581 HydrophobicContact CB-CB 4.32Å; Q567-K581 PolarHBondContact N-O 3.21Å
568	D	84.7	Confident	82.6	Confident	48 Å²	48	45.3 Å²	45.3	26%	0.257	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	152	-176.8	-69.1	-18.7	0	0	0	111.6	F570 F579 R580 K581	D568-F570 HydrophobicContact CB-CE2 3.76Å; D568-F570 HydrophobicContact CB-CZ 4.3Å; D568-F579 WeakPolarHBondContact O-CA 3.39Å; D568-R580 PolarHBondContact N-O 3.35Å; D568-R580 PolarHBondContact O-N 3.01Å; D568-K581 IonicContact OD1-NZ 2.66Å; D568-K581 WeakPolarHBondContact OD2-CD 3.48Å; D568-K581 WeakPolarHBondContact OD2-CE 3.23Å; D568-K581 IonicContact OD2-NZ 2.71Å; D568-K581 PolarHBondContact OD2-NZ 3.37Å
569	R	83.9	Confident	82.4	Confident	60 Å²	60	45.6 Å²	45.6	23%	0.226	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	154.1	166.5	62.4	160	178	-126.3	-35.1	111.7	L162 N163 L166 E578 F579	L162-R569 VanDerWaalsContact CA-NH1 3.34Å; L162-R569 VanDerWaalsContact CB-CZ 3.48Å; L162-R569 VanDerWaalsContact CB-NH2 3.29Å; L162-R569 PolarHBondContact O-NH1 2.74Å; L162-R569 PolarHBondContact O-NH2 3.43Å; L162-R569 VanDerWaalsContact O-NH2 3.07Å; N163-R569 PolarHBondContact OD1-NH2 2.67Å; L166-R569 HydrophobicContact CD1-CG 4.32Å; R569-E578 CarbonylContact C-O 3.52Å; R569-E578 WeakPolarHBondContact CA-O 3.17Å; R569-F579 HydrophobicContact CB-CD1 3.85Å; R569-F579 HydrophobicContact CB-CE1 4Å
570	F	81.6	Confident	82.2	Confident	90 Å²	90	50 Å²	50	40%	0.395	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	135.8	-179.7	-63.9	-90.9	0	0	0	109.2	D568 Y577 E578 R580	D568-F570 HydrophobicContact CB-CE2 3.76Å; D568-F570 HydrophobicContact CB-CZ 4.3Å; F570-Y577 CarbonylContact O-C 3.6Å; F570-Y577 VanDerWaalsContact O-CA 3.28Å; F570-Y577 WeakPolarHBondContact O-CA 2.99Å; F570-E578 HydrophobicContact CB-CB 4.39Å; F570-E578 PolarHBondContact N-O 3.29Å; F570-E578 PolarHBondContact O-N 3.35Å; F570-R580 HydrophobicContact CD2-CB 4.31Å; F570-R580 HydrophobicContact CD2-CG 3.77Å; F570-R580 HydrophobicContact CE2-CB 3.9Å; F570-R580 VanDerWaalsContact CE2-CD 3.48Å; F570-R580 HydrophobicContact CE2-CG 3.78Å
571	L	79.1	Confident	81.9	Confident	92 Å²	92	55.9 Å²	55.9	48%	0.482	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	114.3	174.9	-168.4	81.3	0	0	0	109	L576 Y577	L571-L576 CarbonylContact C-O 3.39Å; L571-Y577 HydrophobicContact CD1-CD1 3.83Å; L571-Y577 HydrophobicContact CD1-CE1 3.34Å; L571-Y577 HydrophobicContact CD1-CE2 4.19Å; L571-Y577 HydrophobicContact CD1-CG 4.45Å
572	L	71.7	Confident	81.9	Confident	68 Å²	68	56 Å²	56	36%	0.356	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	131.6	172.6	-157.5	82.6	0	0	0	109.7	N574 S575 L576	L572-N574 PolarHBondContact O-N 3.5Å; L572-S575 PolarHBondContact O-N 3.22Å; L572-S575 VanDerWaalsContact O-N 3.1Å; L572-L576 WeakPolarHBondContact CA-O 3.44Å; L572-L576 HydrophobicContact CB-CB 4.27Å; L572-L576 WeakPolarHBondContact CB-O 3.34Å; L572-L576 PolarHBondContact N-O 3.23Å; L572-L576 PolarHBondContact O-N 2.92Å
573	N	68.3	Low	81.7	Confident	135 Å²	135	57.8 Å²	57.8	72%	0.722	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.4	40.8	174.7	-62.9	-17.2	0	0	0	114.5	S575	N573-S575 PolarHBondContact O-N 2.78Å; N573-S575 PolarHBondContact O-OG 3.09Å
574	N	63.5	Low	81.6	Confident	126 Å²	126	57.9 Å²	57.9	67%	0.674	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	20.6	-179.4	-74.2	-3.6	0	0	0	115.9	L572	L572-N574 PolarHBondContact O-N 3.5Å
575	S	63.5	Low	81.4	Confident	43 Å²	43	58.4 Å²	58.4	30%	0.301	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.2	-39.3	-173.3	48.4	0	0	0	0	115	L572 N573	L572-S575 PolarHBondContact O-N 3.22Å; L572-S575 VanDerWaalsContact O-N 3.1Å; N573-S575 PolarHBondContact O-N 2.78Å; N573-S575 PolarHBondContact O-OG 3.09Å
576	L	68.6	Low	80.5	Confident	97 Å²	97	63.5 Å²	63.5	51%	0.508	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	135.5	-178.7	-74.7	164.4	0	0	0	109.6	L571 L572	L571-L576 CarbonylContact C-O 3.39Å; L572-L576 WeakPolarHBondContact CA-O 3.44Å; L572-L576 HydrophobicContact CB-CB 4.27Å; L572-L576 WeakPolarHBondContact CB-O 3.34Å; L572-L576 PolarHBondContact N-O 3.23Å; L572-L576 PolarHBondContact O-N 2.92Å
577	Y	77	Confident	79	Confident	76 Å²	76	70.7 Å²	70.7	30%	0.298	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	143.9	171.9	-65.2	-83.3	0	0	0	109.5	F570 L571 P605	F570-Y577 CarbonylContact O-C 3.6Å; F570-Y577 VanDerWaalsContact O-CA 3.28Å; F570-Y577 WeakPolarHBondContact O-CA 2.99Å; L571-Y577 HydrophobicContact CD1-CD1 3.83Å; L571-Y577 HydrophobicContact CD1-CE1 3.34Å; L571-Y577 HydrophobicContact CD1-CE2 4.19Å; L571-Y577 HydrophobicContact CD1-CG 4.45Å; Y577-P605 WeakPolarHBondContact O-CD 3.49Å
578	E	85.6	Confident	77	Confident	23 Å²	23	71 Å²	71	11%	0.107	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.5	163.5	-71.2	-174.9	171.4	0	0	107.9	R569 F570 R580 V602	R569-E578 CarbonylContact C-O 3.52Å; R569-E578 WeakPolarHBondContact CA-O 3.17Å; F570-E578 HydrophobicContact CB-CB 4.39Å; F570-E578 PolarHBondContact N-O 3.29Å; F570-E578 PolarHBondContact O-N 3.35Å; E578-R580 IonicContact OE2-CZ 3.69Å; E578-R580 IonicContact OE2-NE 3.73Å; E578-R580 IonicContact OE2-NH2 3.73Å; E578-R580 PolarHBondContact OE2-NH2 3.06Å; E578-V602 HydrophobicContact CB-CG1 4.18Å; E578-V602 HydrophobicContact CG-CG1 3.83Å
579	F	88.1	Confident	75.2	Confident	6 Å²	6	74.9 Å²	74.9	3%	0.026	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	138.8	173.8	-57.1	-85.7	0	0	0	109.7	L166 V549 P561 C566 D568 R569 T603	L166-F579 HydrophobicContact CD2-CD1 4Å; L166-F579 HydrophobicContact CD2-CE1 4.37Å; V549-F579 HydrophobicContact CG1-CD2 3.86Å; V549-F579 HydrophobicContact CG1-CE2 3.72Å; P561-F579 HydrophobicContact CB-CD1 3.58Å; P561-F579 HydrophobicContact CB-CD2 4.34Å; P561-F579 HydrophobicContact CB-CE1 3.62Å; P561-F579 HydrophobicContact CB-CE2 4.38Å; P561-F579 HydrophobicContact CB-CG 3.96Å; P561-F579 HydrophobicContact CB-CZ 4.03Å; P561-F579 HydrophobicContact CG-CD1 3.95Å; P561-F579 HydrophobicContact CG-CD2 4.28Å; P561-F579 HydrophobicContact CG-CE1 3.46Å; P561-F579 VanDerWaalsContact CG-CE1 3.46Å; P561-F579 HydrophobicContact CG-CE2 3.85Å; P561-F579 HydrophobicContact CG-CG 4.33Å; P561-F579 HydrophobicContact CG-CZ 3.41Å; P561-F579 VanDerWaalsContact CG-CZ 3.41Å; C566-F579 HydrophobicContact CB-CB 4Å; D568-F579 WeakPolarHBondContact O-CA 3.39Å; R569-F579 HydrophobicContact CB-CD1 3.85Å; R569-F579 HydrophobicContact CB-CE1 4Å; F579-T603 PolarHBondContact N-O 3.5Å; F579-T603 PolarHBondContact O-N 3.04Å; F579-T603 VanDerWaalsContact O-N 3.12Å
580	R	86.6	Confident	73.1	Confident	93 Å²	93	78.8 Å²	78.8	35%	0.351	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	170.4	-179.2	-57	-170.7	-174.7	-178.8	-3	110.6	Q567 D568 F570 E578	Q567-R580 PolarHBondContact N-O 2.86Å; D568-R580 PolarHBondContact N-O 3.35Å; D568-R580 PolarHBondContact O-N 3.01Å; F570-R580 HydrophobicContact CD2-CB 4.31Å; F570-R580 HydrophobicContact CD2-CG 3.77Å; F570-R580 HydrophobicContact CE2-CB 3.9Å; F570-R580 VanDerWaalsContact CE2-CD 3.48Å; F570-R580 HydrophobicContact CE2-CG 3.78Å; E578-R580 IonicContact OE2-CZ 3.69Å; E578-R580 IonicContact OE2-NE 3.73Å; E578-R580 IonicContact OE2-NH2 3.73Å; E578-R580 PolarHBondContact OE2-NH2 3.06Å
581	K	85.9	Confident	71.4	Confident	124 Å²	124	81.6 Å²	81.6	54%	0.539	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.1	53.6	-174.8	-59.3	-176.3	-175.1	153	0	110.8	G565 Q567 D568	G565-K581 VanDerWaalsContact O-O 3.13Å; Q567-K581 HydrophobicContact CB-CB 4.32Å; Q567-K581 PolarHBondContact N-O 3.21Å; D568-K581 IonicContact OD1-NZ 2.66Å; D568-K581 WeakPolarHBondContact OD2-CD 3.48Å; D568-K581 WeakPolarHBondContact OD2-CE 3.23Å; D568-K581 IonicContact OD2-NZ 2.71Å; D568-K581 PolarHBondContact OD2-NZ 3.37Å
582	C	89.8	Confident	69.9	Low	2 Å²	2	85 Å²	85	1%	0.014	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	116.4	-179.2	-53.9	0	0	0	0	108.9	A564 G565 C566 C584 T585	A564-C582 HydrophobicContact CB-CB 4.49Å; A564-C582 CarbonylContact O-C 3.59Å; A564-C582 WeakPolarHBondContact O-CB 3.47Å; G565-C582 WeakPolarHBondContact O-CA 3.37Å; C566-C582 HydrophobicContact CB-CB 4.1Å; C566-C582 WeakPolarHBondContact CB-SG 3.38Å; C566-C582 WeakPolarHBondContact SG-CB 3.41Å; C566-C582 CovalentContact SG-SG 2.04Å; C566-C582 PolarHBondContact SG-SG 3Å; C582-C584 VanDerWaalsContact C-N 3.29Å; C582-C584 PolarHBondContact O-N 2.97Å; C582-T585 HydrophobicContact CB-CG2 3.57Å; C582-T585 PolarHBondContact O-N 3.4Å; C582-T585 PolarHBondContact O-OG1 2.74Å
583	A	87.5	Confident	68.5	Low	41 Å²	41	85.5 Å²	85.5	34%	0.339	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-66	-31.8	-176.1	0	0	0	0	0	112.8	C535 A564 G565	C535-A583 HydrophobicContact CB-CB 4.37Å; A564-A583 PolarHBondContact O-N 3.12Å; G565-A583 PolarHBondContact O-N 3.38Å; G565-A583 VanDerWaalsContact O-N 3.08Å
584	C	88.7	Confident	67.3	Low	3 Å²	3	86.9 Å²	86.9	2%	0.02	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-86.3	-4.2	-175.7	-59.5	0	0	0	0	114.2	Y521 C535 Y558 A564 C582	Y521-C584 HydrophobicContact CD1-CB 3.95Å; Y521-C584 HydrophobicContact CE1-CB 3.9Å; C535-C584 HydrophobicContact CB-CB 3.99Å; C535-C584 WeakPolarHBondContact CB-SG 3.4Å; C535-C584 VanDerWaalsContact SG-CA 3.54Å; C535-C584 WeakPolarHBondContact SG-CB 2.99Å; C535-C584 CovalentContact SG-SG 2.04Å; C535-C584 PolarHBondContact SG-SG 3.02Å; Y558-C584 HydrophobicContact CE1-CB 3.94Å; Y558-C584 PolarHBondContact OH-O 3.41Å; A564-C584 VanDerWaalsContact O-CB 3.31Å; A564-C584 WeakPolarHBondContact O-CB 3.23Å; A564-C584 PolarHBondContact O-N 3.15Å; C582-C584 VanDerWaalsContact C-N 3.29Å; C582-C584 PolarHBondContact O-N 2.97Å
585	T	86	Confident	66.1	Low	10 Å²	10	85.7 Å²	85.7	6%	0.061	46%	0.457	C	S	.	.	G	3₁₀ helix	trans	-87	-12.5	179.8	60.9	0	0	0	0	113.2	H551 Y558 C582 H587 D601	H551-T585 HydrophobicContact CB-CG2 3.88Å; Y558-T585 HydrophobicContact CE2-CG2 4.11Å; C582-T585 HydrophobicContact CB-CG2 3.57Å; C582-T585 PolarHBondContact O-N 3.4Å; C582-T585 PolarHBondContact O-OG1 2.74Å; T585-H587 PolarHBondContact O-N 3.3Å; T585-D601 PolarHBondContact OG1-OD1 3.5Å
586	L	71.7	Confident	64.9	Low	107 Å²	107	89 Å²	89	56%	0.56	48%	0.475	S	S	*	.			trans	-70.1	116.6	-173.5	-111.2	115.2	0	0	0	112.2	S588	L586-S588 PolarHBondContact O-N 3.31Å
587	H	59.6	Low	63.7	Low	152 Å²	152	87.4 Å²	87.4	70%	0.704	47%	0.472	S	S	*	.			trans	-83.8	102.6	158.9	-141	-72.6	0	0	0	106.4	T585 I589	T585-H587 PolarHBondContact O-N 3.3Å; H587-I589 VanDerWaalsContact C-N 3.25Å; H587-I589 PolarHBondContact O-N 3.25Å
588	S	45.8	Very low	62.1	Low	95 Å²	95	92.6 Å²	92.6	66%	0.664	50%	0.496	S	S	*	.			trans	-62.9	89.1	171.6	173.1	0	0	0	0	109.3	L586	L586-S588 PolarHBondContact O-N 3.31Å
589	I	46.8	Very low	60.4	Low	129 Å²	129	98.7 Å²	98.7	66%	0.662	53%	0.528	S	S	*	.			trans	-79.5	117.8	165.3	-60.3	176.3	0	0	0	105.9	H587 N591	H587-I589 VanDerWaalsContact C-N 3.25Å; H587-I589 PolarHBondContact O-N 3.25Å; I589-N591 PolarHBondContact O-N 3.33Å
590	N	40.9	Very low	59	Low	143 Å²	143	101.8 Å²	101.8	77%	0.765	55%	0.547	S	S	*	.			trans	-22.2	124.1	177	-67.6	-22.9	0	0	0	114.6	N592	N590-N592 PolarHBondContact O-N 3.35Å
591	N	44.3	Very low	58.4	Low	149 Å²	149	100.1 Å²	100.1	80%	0.797	55%	0.546	S	S	*	.	S	Bend	trans	-24.6	105.8	170.7	-65.3	-19.9	0	0	0	112.9	I589	I589-N591 PolarHBondContact O-N 3.33Å
592	N	48.7	Very low	58.2	Low	164 Å²	164	94.9 Å²	94.9	88%	0.877	52%	0.524	S	S	*	.	S	Bend	trans	158.7	7.8	141.8	-77.8	-7.2	0	0	0	114.8	N590	N590-N592 PolarHBondContact O-N 3.35Å
593	S	42.8	Very low	58.1	Low	77 Å²	77	94.8 Å²	94.8	54%	0.538	52%	0.523	S	S	.	.			trans	-120.3	96.8	168.7	63.4	0	0	0	0	110.6	V595	S593-V595 PolarHBondContact O-N 3.44Å
594	I	42.2	Very low	58.2	Low	164 Å²	164	97.2 Å²	97.2	84%	0.841	53%	0.526	S	S	*	.			trans	-66	66.2	152.6	-53.6	170.5	0	0	0	105.7	T596	I594-T596 VanDerWaalsContact C-N 3.29Å; I594-T596 HydrophobicContact CG2-CG2 4.49Å; I594-T596 PolarHBondContact O-N 2.92Å
595	V	38.1	Very low	58	Low	102 Å²	102	99.7 Å²	99.7	62%	0.618	54%	0.542	S	S	*	.			trans	-71.5	103.3	161.6	-175.9	0	0	0	0	103.7	S593 S597	S593-V595 PolarHBondContact O-N 3.44Å; V595-S597 PolarHBondContact O-N 3.28Å
596	T	39.1	Very low	58	Low	112 Å²	112	99.8 Å²	99.8	69%	0.687	55%	0.545	S	S	*	.			trans	-56.5	70.3	158.4	41.3	0	0	0	0	109.8	I594 K598	I594-T596 VanDerWaalsContact C-N 3.29Å; I594-T596 HydrophobicContact CG2-CG2 4.49Å; I594-T596 PolarHBondContact O-N 2.92Å; T596-K598 PolarHBondContact O-N 3.44Å
597	S	42.8	Very low	58.7	Low	63 Å²	63	97 Å²	97	44%	0.441	53%	0.529	S	S	.	.			trans	-83.8	51.9	155.7	53.9	0	0	0	0	108.4	V595 I599 T600	V595-S597 PolarHBondContact O-N 3.28Å; S597-I599 PolarHBondContact O-N 2.93Å; S597-T600 WeakPolarHBondContact CB-OG1 3.46Å; S597-T600 PolarHBondContact O-N 3.3Å; S597-T600 VanDerWaalsContact O-N 3.13Å; S597-T600 PolarHBondContact O-OG1 2.87Å
598	K	43.3	Very low	60.1	Low	186 Å²	186	90.4 Å²	90.4	81%	0.809	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-8.1	178.2	-126	176.4	-174.9	176.1	0	113.2	T596	T596-K598 PolarHBondContact O-N 3.44Å
599	I	50	Low	61.8	Low	151 Å²	151	92.4 Å²	92.4	77%	0.774	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-17.5	-176.7	-59.9	175.3	0	0	0	111.8	S597	S597-I599 PolarHBondContact O-N 2.93Å
600	T	57.8	Low	63.4	Low	71 Å²	71	89.7 Å²	89.7	44%	0.436	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-15.8	-171.5	59.1	0	0	0	0	115.4	A553 S597 V602	A553-T600 WeakPolarHBondContact CB-O 3.29Å; S597-T600 WeakPolarHBondContact CB-OG1 3.46Å; S597-T600 PolarHBondContact O-N 3.3Å; S597-T600 VanDerWaalsContact O-N 3.13Å; S597-T600 PolarHBondContact O-OG1 2.87Å; T600-V602 PolarHBondContact O-N 2.9Å
601	D	74.3	Confident	65.1	Low	58 Å²	58	90.5 Å²	90.5	31%	0.31	49%	0.489	S	S	.	.			trans	-83.6	57.7	174.7	-171.5	23.3	0	0	0	110.6	H551 T585	H551-D601 IonicContact CD2-OD1 2.88Å; H551-D601 IonicContact NE2-OD1 3.56Å; H551-D601 PolarHBondContact NE2-OD1 3.44Å; H551-D601 VanDerWaalsContact NE2-OD1 3.13Å; T585-D601 PolarHBondContact OG1-OD1 3.5Å
602	V	82.9	Confident	67	Low	13 Å²	13	85 Å²	85	8%	0.079	46%	0.461	C	S	.	.			trans	-108.9	123.9	178.6	179.2	0	0	0	0	108.1	L552 E578 T600 K604	L552-V602 HydrophobicContact CD1-CB 4.39Å; L552-V602 HydrophobicContact CD1-CG1 4.45Å; L552-V602 PolarHBondContact N-O 3.31Å; E578-V602 HydrophobicContact CB-CG1 4.18Å; E578-V602 HydrophobicContact CG-CG1 3.83Å; T600-V602 PolarHBondContact O-N 2.9Å; V602-K604 HydrophobicContact CG1-CG 4.3Å
603	T	87.8	Confident	68.8	Low	0 Å²	0	85 Å²	85	0%	0	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.1	174.4	-53.2	0	0	0	0	109	V549 C550 F579	V549-T603 HydrophobicContact CB-CG2 3.63Å; V549-T603 HydrophobicContact CG2-CG2 3.59Å; C550-T603 CarbonylContact O-C 3.59Å; C550-T603 VanDerWaalsContact O-CA 3.27Å; C550-T603 WeakPolarHBondContact O-CA 2.94Å; C550-T603 WeakPolarHBondContact O-CG2 3.47Å; F579-T603 PolarHBondContact N-O 3.5Å; F579-T603 PolarHBondContact O-N 3.04Å; F579-T603 VanDerWaalsContact O-N 3.12Å
604	K	88.4	Confident	71.1	Confident	92 Å²	92	83.3 Å²	83.3	40%	0.4	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	151.4	-179.1	-71.7	-176.4	178.1	164.2	0	111.4	V549 C550 L552 V602	V549-K604 CarbonylContact C-O 3.45Å; V549-K604 WeakPolarHBondContact CA-O 3.38Å; V549-K604 WeakPolarHBondContact CB-O 3.14Å; C550-K604 PolarHBondContact N-O 3.4Å; C550-K604 PolarHBondContact O-N 2.81Å; L552-K604 HydrophobicContact CD1-CD 3.88Å; L552-K604 HydrophobicContact CD1-CG 4.19Å; L552-K604 HydrophobicContact CD2-CD 4.32Å; L552-K604 HydrophobicContact CG-CD 4.41Å; V602-K604 HydrophobicContact CG1-CG 4.3Å
605	P	84.9	Confident	73.5	Confident	56 Å²	56	77.1 Å²	77.1	36%	0.364	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	147	170.7	28.7	-36.3	0	0	0	110.7	Y577	Y577-P605 WeakPolarHBondContact O-CD 3.49Å
606	G	85.4	Confident	76.1	Confident	12 Å²	12	78 Å²	78	12%	0.124	41%	0.411	C	S	.	.	S	Bend	trans	103.2	167	-174.5	0	0	0	0	0	112.7	P548 V549 C550	P548-G606 CarbonylContact C-O 3.54Å; P548-G606 CarbonylContact O-C 3.56Å; P548-G606 PolarHBondContact O-N 3.33Å; V549-G606 CarbonylContact C-O 3.41Å; V549-G606 VanDerWaalsContact C-O 3.26Å; V549-G606 VanDerWaalsContact CA-O 3.3Å; V549-G606 WeakPolarHBondContact CA-O 3.41Å; V549-G606 PolarHBondContact N-O 3.36Å; C550-G606 PolarHBondContact N-O 3.34Å; C550-G606 VanDerWaalsContact N-O 3.07Å
607	E	86.6	Confident	78.8	Confident	49 Å²	49	75.4 Å²	75.4	23%	0.229	40%	0.396	C	S	.	.			trans	-74	155.1	170	-58.7	179.7	166.6	0	0	109.5	R447 P548 T557	R447-E607 IonicContact CZ-OE2 3.76Å; R447-E607 IonicContact NE-OE2 3.36Å; R447-E607 IonicContact NH1-OE1 3.97Å; R447-E607 PolarHBondContact NH1-OE1 2.87Å; R447-E607 VanDerWaalsContact NH1-OE1 3.15Å; R447-E607 IonicContact NH1-OE2 3.45Å; R447-E607 PolarHBondContact NH1-OE2 3.39Å; P548-E607 HydrophobicContact CB-CG 3.92Å; P548-E607 HydrophobicContact CG-CG 3.91Å; T557-E607 HydrophobicContact CG2-CB 4.34Å; T557-E607 HydrophobicContact CG2-CG 4.28Å
608	C	88.7	Confident	81.3	Confident	13 Å²	13	72.5 Å²	72.5	9%	0.088	38%	0.375	C	S	.	.			trans	-65.4	144.9	173.8	-63.9	0	0	0	0	111.6	C550 D555 I556 T557 L610	C550-C608 WeakPolarHBondContact CA-SG 3.48Å; C550-C608 HydrophobicContact CB-CB 3.93Å; C550-C608 WeakPolarHBondContact CB-SG 3.48Å; C550-C608 WeakPolarHBondContact SG-CA 3.3Å; C550-C608 WeakPolarHBondContact SG-CB 3.31Å; C550-C608 CovalentContact SG-SG 2.03Å; C550-C608 PolarHBondContact SG-SG 3.34Å; D555-C608 VanDerWaalsContact OD1-CB 3.26Å; D555-C608 WeakPolarHBondContact OD1-CB 3.45Å; I556-C608 VanDerWaalsContact C-SG 3.57Å; T557-C608 PolarHBondContact OG1-N 3.17Å; T557-C608 PolarHBondContact OG1-SG 3.02Å; C608-L610 PolarHBondContact O-N 2.96Å; C608-L610 VanDerWaalsContact O-N 3.12Å
609	D	81.9	Confident	83.8	Confident	137 Å²	137	64.3 Å²	64.3	73%	0.733	34%	0.341	S	S	*	.			trans	-67.3	109.4	-177.5	-73.9	-33.3	0	0	0	111.2
610	L	79.7	Confident	86	Confident	71 Å²	71	62.5 Å²	62.5	37%	0.372	33%	0.332	S	S	.	.			trans	-88.5	114.9	174.9	-170.3	77.1	0	0	0	110.6	C509 G510 C608 C612	C509-L610 HydrophobicContact CB-CD2 3.8Å; G510-L610 VanDerWaalsContact O-CD2 3.23Å; G510-L610 WeakPolarHBondContact O-CD2 3.3Å; C608-L610 PolarHBondContact O-N 2.96Å; C608-L610 VanDerWaalsContact O-N 3.12Å; L610-C612 PolarHBondContact O-N 3.18Å
611	H	77.8	Confident	87.8	Confident	161 Å²	161	60.7 Å²	60.7	75%	0.745	32%	0.319	S	S	*	.			trans	-74.1	97.1	172.9	-69.2	78	0	0	0	110.3
612	C	83.3	Confident	88.9	Confident	33 Å²	33	58.6 Å²	58.6	22%	0.223	31%	0.307	C	S	.	.			trans	-103.3	101.7	-179.3	-168.2	0	0	0	0	113	C509 L610 T614	C509-C612 HydrophobicContact CB-CB 3.97Å; C509-C612 WeakPolarHBondContact CB-SG 3.42Å; C509-C612 WeakPolarHBondContact SG-CB 3.21Å; C509-C612 CovalentContact SG-SG 2.02Å; C509-C612 PolarHBondContact SG-SG 2.89Å; L610-C612 PolarHBondContact O-N 3.18Å; C612-T614 VanDerWaalsContact C-N 3.3Å; C612-T614 PolarHBondContact O-N 2.84Å; C612-T614 PolarHBondContact SG-OG1 2.71Å
613	H	87.3	Confident	89.5	Confident	164 Å²	164	58.8 Å²	58.8	76%	0.759	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-11.1	177.1	-65.9	-67.5	0	0	0	114.2	P617	H613-P617 WeakPolarHBondContact O-CD 3.47Å
614	T	91.4	Very high	90	Very high	41 Å²	41	63.3 Å²	63.3	25%	0.252	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-6.1	-176	58.7	0	0	0	0	114.1	G508 C612 P617 F618	G508-T614 PolarHBondContact O-OG1 3.27Å; C612-T614 VanDerWaalsContact C-N 3.3Å; C612-T614 PolarHBondContact O-N 2.84Å; C612-T614 PolarHBondContact SG-OG1 2.71Å; T614-P617 WeakPolarHBondContact O-CD 3.22Å; T614-P617 WeakPolarHBondContact O-CG 3.27Å; T614-F618 VanDerWaalsContact O-CB 3.23Å; T614-F618 WeakPolarHBondContact O-CB 3.42Å; T614-F618 PolarHBondContact O-N 3.1Å
615	L	92.5	Very high	90.4	Very high	35 Å²	35	59.1 Å²	59.1	18%	0.183	31%	0.311	C	S	.	.	H	α-helix	trans	-60.7	-51.9	177.7	174.4	62.6	0	0	0	112.4	F446 I448 F618 V619	F446-L615 HydrophobicContact CB-CD1 3.81Å; F446-L615 HydrophobicContact CD1-CB 3.73Å; F446-L615 HydrophobicContact CD1-CD1 3.81Å; F446-L615 HydrophobicContact CD1-CG 4.37Å; F446-L615 HydrophobicContact CD2-CD1 4.13Å; F446-L615 HydrophobicContact CE1-CB 4.28Å; F446-L615 HydrophobicContact CE1-CD1 4.46Å; F446-L615 HydrophobicContact CG-CB 4.38Å; F446-L615 HydrophobicContact CG-CD1 3.64Å; I448-L615 HydrophobicContact CG2-CD2 3.83Å; L615-F618 WeakPolarHBondContact O-CB 3.37Å; L615-F618 PolarHBondContact O-N 3.47Å; L615-V619 HydrophobicContact CD1-CG2 3.92Å; L615-V619 HydrophobicContact CG-CG2 4.48Å; L615-V619 WeakPolarHBondContact O-CG2 3.35Å; L615-V619 PolarHBondContact O-N 2.97Å
616	I	93.2	Very high	90.9	Very high	120 Å²	120	58.1 Å²	58.1	62%	0.615	30%	0.302	S	S	*	.	H	α-helix	trans	-60	-52.4	-178.4	-61	174.2	0	0	0	111.8	F618 V619 I620	I616-F618 VanDerWaalsContact C-N 3.29Å; I616-F618 PolarHBondContact O-N 2.73Å; I616-V619 PolarHBondContact O-N 3.18Å; I616-I620 HydrophobicContact CG2-CD1 3.79Å; I616-I620 HydrophobicContact CG2-CG1 4.41Å; I616-I620 WeakPolarHBondContact O-CG1 3.14Å; I616-I620 PolarHBondContact O-N 3.32Å
617	P	94.9	Very high	91.4	Very high	58 Å²	58	59.9 Å²	59.9	38%	0.377	31%	0.306	S	S	.	.	H	α-helix	trans	-63.8	-34	178.3	23.9	-33	0	0	0	112.5	L507 H613 T614 L621	L507-P617 HydrophobicContact CD2-CB 3.9Å; L507-P617 HydrophobicContact CD2-CG 3.97Å; H613-P617 WeakPolarHBondContact O-CD 3.47Å; T614-P617 WeakPolarHBondContact O-CD 3.22Å; T614-P617 WeakPolarHBondContact O-CG 3.27Å; P617-L621 VanDerWaalsContact O-CB 3.29Å; P617-L621 WeakPolarHBondContact O-CB 3.29Å; P617-L621 PolarHBondContact O-N 3.32Å
618	F	95.3	Very high	91.9	Very high	1 Å²	1	58.4 Å²	58.4	0%	0.004	30%	0.3	C	S	.	.	H	α-helix	trans	-60.5	-49	173.1	175.4	-93	0	0	0	111.6	F434 Y441 L442 F446 F504 L507 T614 L615 I616 L621 L622	F434-F618 HydrophobicContact CZ-CZ 4.31Å; Y441-F618 HydrophobicContact CD1-CE1 4.39Å; Y441-F618 HydrophobicContact CD1-CZ 4.11Å; Y441-F618 AromaticContact CE1-CE1 3.83Å; Y441-F618 HydrophobicContact CE1-CE1 3.83Å; Y441-F618 AromaticContact CE1-CE2 3.86Å; Y441-F618 HydrophobicContact CE1-CE2 3.86Å; Y441-F618 AromaticContact CE1-CZ 3.32Å; Y441-F618 HydrophobicContact CE1-CZ 3.32Å; L442-F618 HydrophobicContact CD2-CD1 4.21Å; L442-F618 HydrophobicContact CD2-CE1 3.83Å; F446-F618 HydrophobicContact CD2-CD1 4.47Å; F446-F618 HydrophobicContact CE1-CB 4.04Å; F446-F618 HydrophobicContact CE1-CG 4.28Å; F446-F618 HydrophobicContact CE2-CB 4.34Å; F446-F618 AromaticContact CE2-CD1 3.5Å; F446-F618 HydrophobicContact CE2-CD1 3.5Å; F446-F618 HydrophobicContact CE2-CD2 4.16Å; F446-F618 AromaticContact CE2-CE1 3.82Å; F446-F618 HydrophobicContact CE2-CE1 3.82Å; F446-F618 HydrophobicContact CE2-CE2 4.44Å; F446-F618 AromaticContact CE2-CG 3.72Å; F446-F618 HydrophobicContact CE2-CG 3.72Å; F446-F618 HydrophobicContact CE2-CZ 4.31Å; F446-F618 HydrophobicContact CZ-CB 3.54Å; F446-F618 AromaticContact CZ-CD1 3.6Å; F446-F618 HydrophobicContact CZ-CD1 3.6Å; F446-F618 AromaticContact CZ-CD2 3.77Å; F446-F618 HydrophobicContact CZ-CD2 3.77Å; F446-F618 HydrophobicContact CZ-CE1 4.3Å; F446-F618 HydrophobicContact CZ-CE2 4.45Å; F446-F618 AromaticContact CZ-CG 3.32Å; F446-F618 HydrophobicContact CZ-CG 3.32Å; F504-F618 AromaticContact CD1-CD2 3.52Å; F504-F618 HydrophobicContact CD1-CD2 3.52Å; F504-F618 AromaticContact CD1-CE2 3.52Å; F504-F618 HydrophobicContact CD1-CE2 3.52Å; F504-F618 AromaticContact CE1-CD2 3.48Å; F504-F618 HydrophobicContact CE1-CD2 3.48Å; F504-F618 VanDerWaalsContact CE1-CD2 3.48Å; F504-F618 AromaticContact CE1-CE2 3.48Å; F504-F618 HydrophobicContact CE1-CE2 3.48Å; F504-F618 VanDerWaalsContact CE1-CE2 3.48Å; F504-F618 HydrophobicContact CE1-CG 4.39Å; F504-F618 HydrophobicContact CE1-CZ 4.4Å; F504-F618 HydrophobicContact CE2-CE2 4.49Å; F504-F618 HydrophobicContact CG-CD2 4.45Å; F504-F618 HydrophobicContact CG-CE2 4.07Å; F504-F618 HydrophobicContact CZ-CD2 4.37Å; F504-F618 AromaticContact CZ-CE2 4Å; F504-F618 HydrophobicContact CZ-CE2 4Å; L507-F618 HydrophobicContact CB-CB 4.49Å; L507-F618 HydrophobicContact CB-CD2 4.27Å; T614-F618 VanDerWaalsContact O-CB 3.23Å; T614-F618 WeakPolarHBondContact O-CB 3.42Å; T614-F618 PolarHBondContact O-N 3.1Å; L615-F618 WeakPolarHBondContact O-CB 3.37Å; L615-F618 PolarHBondContact O-N 3.47Å; I616-F618 VanDerWaalsContact C-N 3.29Å; I616-F618 PolarHBondContact O-N 2.73Å; F618-L621 PolarHBondContact O-N 3.23Å; F618-L622 HydrophobicContact CE1-CB 4.39Å; F618-L622 HydrophobicContact CE1-CD2 3.66Å; F618-L622 HydrophobicContact CZ-CB 4.48Å; F618-L622 HydrophobicContact CZ-CD2 3.85Å; F618-L622 VanDerWaalsContact O-CB 3.26Å; F618-L622 WeakPolarHBondContact O-CB 3.26Å; F618-L622 PolarHBondContact O-N 3.13Å
619	V	95.5	Very high	92.3	Very high	15 Å²	15	58.4 Å²	58.4	9%	0.091	30%	0.3	C	S	.	.	H	α-helix	trans	-63.8	-43.2	-179.7	171.3	0	0	0	0	111.5	I456 L460 L615 I616 L622 T623	I456-V619 HydrophobicContact CG2-CG1 4Å; I456-V619 HydrophobicContact CG2-CG2 3.98Å; L460-V619 HydrophobicContact CD2-CG1 3.54Å; L615-V619 HydrophobicContact CD1-CG2 3.92Å; L615-V619 HydrophobicContact CG-CG2 4.48Å; L615-V619 WeakPolarHBondContact O-CG2 3.35Å; L615-V619 PolarHBondContact O-N 2.97Å; I616-V619 PolarHBondContact O-N 3.18Å; V619-L622 PolarHBondContact O-N 2.95Å; V619-T623 VanDerWaalsContact O-CB 3.26Å; V619-T623 WeakPolarHBondContact O-CB 3.45Å; V619-T623 PolarHBondContact O-N 3.3Å; V619-T623 PolarHBondContact O-OG1 3.36Å
620	I	95.9	Very high	92.9	Very high	113 Å²	113	52.1 Å²	52.1	58%	0.579	27%	0.267	S	S	*	.	H	α-helix	trans	-60.3	-48.5	176.5	-68.5	170.3	0	0	0	110.3	I616 T623 F624	I616-I620 HydrophobicContact CG2-CD1 3.79Å; I616-I620 HydrophobicContact CG2-CG1 4.41Å; I616-I620 WeakPolarHBondContact O-CG1 3.14Å; I616-I620 PolarHBondContact O-N 3.32Å; I620-T623 PolarHBondContact O-N 2.6Å; I620-F624 WeakPolarHBondContact O-CB 3.35Å; I620-F624 PolarHBondContact O-N 2.95Å
621	L	96.5	Very high	93.7	Very high	33 Å²	33	49 Å²	49	17%	0.173	25%	0.251	C	S	.	.	H	α-helix	trans	-66	-43.4	-178.3	-172.6	63.6	0	0	0	111.8	C500 F504 L507 P617 F618 T623 F624 L625	C500-L621 HydrophobicContact CB-CD1 3.99Å; F504-L621 HydrophobicContact CD1-CD2 4.1Å; F504-L621 HydrophobicContact CE1-CB 4.1Å; F504-L621 HydrophobicContact CE1-CD2 3.67Å; F504-L621 HydrophobicContact CE1-CG 3.98Å; F504-L621 HydrophobicContact CZ-CB 4.49Å; F504-L621 HydrophobicContact CZ-CD2 4.26Å; F504-L621 HydrophobicContact CZ-CG 4.21Å; L507-L621 HydrophobicContact CD1-CD2 3.49Å; L507-L621 VanDerWaalsContact CD1-CD2 3.49Å; P617-L621 VanDerWaalsContact O-CB 3.29Å; P617-L621 WeakPolarHBondContact O-CB 3.29Å; P617-L621 PolarHBondContact O-N 3.32Å; F618-L621 PolarHBondContact O-N 3.23Å; L621-T623 VanDerWaalsContact C-N 3.34Å; L621-T623 PolarHBondContact O-N 3.06Å; L621-F624 PolarHBondContact O-N 2.79Å; L621-L625 HydrophobicContact CG-CD1 4.37Å; L621-L625 WeakPolarHBondContact O-CB 3.48Å; L621-L625 VanDerWaalsContact O-CG 3.29Å; L621-L625 WeakPolarHBondContact O-CG 3.48Å; L621-L625 PolarHBondContact O-N 3.4Å
622	L	96.3	Very high	94.5	Very high	13 Å²	13	41.3 Å²	41.3	7%	0.068	22%	0.215	C	C	.	.	H	α-helix	trans	-63.1	-41.3	177.2	178.1	59.4	0	0	0	112	F434 L438 I461 F504 F618 V619 L625 L626	F434-L622 HydrophobicContact CD1-CD1 4.31Å; F434-L622 HydrophobicContact CE1-CD1 3.62Å; F434-L622 HydrophobicContact CE1-CD2 3.7Å; F434-L622 HydrophobicContact CE1-CG 4.31Å; F434-L622 HydrophobicContact CZ-CD2 4.23Å; L438-L622 HydrophobicContact CD1-CD2 3.81Å; I461-L622 HydrophobicContact CD1-CD2 3.6Å; I461-L622 HydrophobicContact CD1-CG 4.19Å; F504-L622 HydrophobicContact CE2-CD1 4.46Å; F504-L622 HydrophobicContact CZ-CB 3.97Å; F504-L622 HydrophobicContact CZ-CD1 4.29Å; F618-L622 HydrophobicContact CE1-CB 4.39Å; F618-L622 HydrophobicContact CE1-CD2 3.66Å; F618-L622 HydrophobicContact CZ-CB 4.48Å; F618-L622 HydrophobicContact CZ-CD2 3.85Å; F618-L622 VanDerWaalsContact O-CB 3.26Å; F618-L622 WeakPolarHBondContact O-CB 3.26Å; F618-L622 PolarHBondContact O-N 3.13Å; V619-L622 PolarHBondContact O-N 2.95Å; L622-L625 PolarHBondContact O-N 2.9Å; L622-L626 PolarHBondContact O-N 3.36Å
623	T	96.9	Very high	95	Very high	17 Å²	17	41.9 Å²	41.9	10%	0.104	22%	0.215	C	C	.	.	H	α-helix	trans	-62.6	-44.2	176.3	-57.8	0	0	0	0	111	L460 C464 V619 I620 L621 L626 F627	L460-T623 HydrophobicContact CD1-CG2 4.39Å; L460-T623 HydrophobicContact CG-CG2 4.36Å; C464-T623 HydrophobicContact CB-CG2 3.51Å; C464-T623 WeakPolarHBondContact SG-CG2 3.4Å; V619-T623 VanDerWaalsContact O-CB 3.26Å; V619-T623 WeakPolarHBondContact O-CB 3.45Å; V619-T623 PolarHBondContact O-N 3.3Å; V619-T623 PolarHBondContact O-OG1 3.36Å; I620-T623 PolarHBondContact O-N 2.6Å; L621-T623 VanDerWaalsContact C-N 3.34Å; L621-T623 PolarHBondContact O-N 3.06Å; T623-L626 PolarHBondContact O-N 2.91Å; T623-F627 WeakPolarHBondContact O-CB 3.39Å; T623-F627 PolarHBondContact O-N 3.3Å
624	F	97.1	Very high	95.2	Very high	95 Å²	95	35.6 Å²	35.6	42%	0.417	19%	0.187	S	C	.	.	H	α-helix	trans	-62.6	-42.3	175.3	178.1	-111.9	0	0	0	112.5	I620 L621 F627 L628	I620-F624 WeakPolarHBondContact O-CB 3.35Å; I620-F624 PolarHBondContact O-N 2.95Å; L621-F624 PolarHBondContact O-N 2.79Å; F624-F627 WeakPolarHBondContact O-CB 3.33Å; F624-F627 PolarHBondContact O-N 3.22Å; F624-L628 HydrophobicContact CD1-CD1 4.08Å; F624-L628 HydrophobicContact CE1-CD1 3.49Å; F624-L628 VanDerWaalsContact CE1-CD1 3.49Å; F624-L628 HydrophobicContact CE1-CG 4.14Å; F624-L628 HydrophobicContact CE2-CD1 4.37Å; F624-L628 HydrophobicContact CE2-CD2 4.23Å; F624-L628 HydrophobicContact CE2-CG 4.18Å; F624-L628 HydrophobicContact CZ-CD1 3.66Å; F624-L628 HydrophobicContact CZ-CD2 4.1Å; F624-L628 HydrophobicContact CZ-CG 3.96Å; F624-L628 WeakPolarHBondContact O-CG 3.31Å; F624-L628 PolarHBondContact O-N 3.36Å
625	L	96.8	Very high	95.3	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-62.4	-42.7	176.9	-77.6	175.3	0	0	0	112.7	I497 C500 M501 F504 L621 L622 L628 T629	I497-L625 HydrophobicContact CB-CD2 4.03Å; I497-L625 HydrophobicContact CG1-CD2 4.03Å; I497-L625 HydrophobicContact CG2-CD2 3.91Å; C500-L625 HydrophobicContact CB-CD1 4.24Å; C500-L625 HydrophobicContact CB-CD2 3.45Å; C500-L625 VanDerWaalsContact CB-CD2 3.45Å; C500-L625 HydrophobicContact CB-CG 4.08Å; M501-L625 HydrophobicContact CG-CD1 4.03Å; M501-L625 HydrophobicContact SD-CD1 3.71Å; F504-L625 HydrophobicContact CD2-CD1 4.44Å; F504-L625 HydrophobicContact CE2-CD1 3.4Å; F504-L625 VanDerWaalsContact CE2-CD1 3.4Å; F504-L625 HydrophobicContact CZ-CD1 3.52Å; L621-L625 HydrophobicContact CG-CD1 4.37Å; L621-L625 WeakPolarHBondContact O-CB 3.48Å; L621-L625 VanDerWaalsContact O-CG 3.29Å; L621-L625 WeakPolarHBondContact O-CG 3.48Å; L621-L625 PolarHBondContact O-N 3.4Å; L622-L625 PolarHBondContact O-N 2.9Å; L625-L628 PolarHBondContact O-N 3.46Å; L625-T629 WeakPolarHBondContact O-CB 3.09Å; L625-T629 PolarHBondContact O-N 2.88Å; L625-T629 PolarHBondContact O-OG1 2.62Å
626	L	95.4	Very high	95.3	Very high	35 Å²	35	32.1 Å²	32.1	18%	0.183	17%	0.167	C	C	.	.	H	α-helix	trans	-69.4	-35.9	177.8	-171.6	59.4	0	0	0	111.6	V431 I461 L622 T623 T629 G630	V431-L626 HydrophobicContact CG1-CD1 4.46Å; V431-L626 HydrophobicContact CG2-CD1 4.46Å; I461-L626 HydrophobicContact CG2-CD2 3.39Å; I461-L626 VanDerWaalsContact O-CD2 3.28Å; I461-L626 WeakPolarHBondContact O-CD2 3.43Å; L622-L626 PolarHBondContact O-N 3.36Å; T623-L626 PolarHBondContact O-N 2.91Å; L626-T629 WeakPolarHBondContact O-CB 3.14Å; L626-T629 PolarHBondContact O-N 3.01Å; L626-G630 PolarHBondContact O-N 2.98Å
627	F	97	Very high	95.2	Very high	49 Å²	49	29.2 Å²	29.2	22%	0.215	15%	0.152	C	C	.	.	H	α-helix	trans	-58.7	-50.1	170.4	171.3	-93.5	0	0	0	111.8	L467 G468 V471 T623 F624 T629 G630 V631	L467-F627 HydrophobicContact CD2-CE2 4.46Å; L467-F627 HydrophobicContact CG-CD2 4.43Å; L467-F627 HydrophobicContact CG-CE2 4.16Å; G468-F627 VanDerWaalsContact CA-CD2 3.44Å; G468-F627 WeakPolarHBondContact CA-O 3.29Å; V471-F627 HydrophobicContact CB-CE2 4.14Å; V471-F627 HydrophobicContact CB-CZ 4.01Å; V471-F627 HydrophobicContact CG1-CZ 3.97Å; V471-F627 HydrophobicContact CG2-CE2 3.92Å; V471-F627 HydrophobicContact CG2-CZ 4.05Å; T623-F627 WeakPolarHBondContact O-CB 3.39Å; T623-F627 PolarHBondContact O-N 3.3Å; F624-F627 WeakPolarHBondContact O-CB 3.33Å; F624-F627 PolarHBondContact O-N 3.22Å; F627-T629 VanDerWaalsContact C-N 3.28Å; F627-T629 PolarHBondContact O-N 3.35Å; F627-G630 WeakPolarHBondContact O-CA 3.36Å; F627-G630 PolarHBondContact O-N 3.28Å; F627-V631 HydrophobicContact CD1-CG2 4.37Å; F627-V631 HydrophobicContact CE1-CG2 3.93Å; F627-V631 HydrophobicContact CZ-CG2 4.06Å; F627-V631 PolarHBondContact O-N 2.91Å
628	L	97.5	Very high	95.1	Very high	18 Å²	18	26.8 Å²	26.8	9%	0.094	14%	0.136	C	C	.	.	H	α-helix	trans	-60.1	-38.6	176.5	-71.6	-176.3	0	0	0	112.3	I493 I496 I497 F624 L625 G630 V631 I632	I493-L628 HydrophobicContact CG2-CB 3.88Å; I493-L628 HydrophobicContact CG2-CD1 4.47Å; I493-L628 HydrophobicContact CG2-CD2 4.24Å; I493-L628 HydrophobicContact CG2-CG 4.43Å; I496-L628 HydrophobicContact CG2-CD1 3.88Å; I497-L628 HydrophobicContact CD1-CB 3.89Å; I497-L628 HydrophobicContact CG1-CB 3.86Å; I497-L628 HydrophobicContact CG1-CD1 4Å; F624-L628 HydrophobicContact CD1-CD1 4.08Å; F624-L628 HydrophobicContact CE1-CD1 3.49Å; F624-L628 VanDerWaalsContact CE1-CD1 3.49Å; F624-L628 HydrophobicContact CE1-CG 4.14Å; F624-L628 HydrophobicContact CE2-CD1 4.37Å; F624-L628 HydrophobicContact CE2-CD2 4.23Å; F624-L628 HydrophobicContact CE2-CG 4.18Å; F624-L628 HydrophobicContact CZ-CD1 3.66Å; F624-L628 HydrophobicContact CZ-CD2 4.1Å; F624-L628 HydrophobicContact CZ-CG 3.96Å; F624-L628 WeakPolarHBondContact O-CG 3.31Å; F624-L628 PolarHBondContact O-N 3.36Å; L625-L628 PolarHBondContact O-N 3.46Å; L628-G630 VanDerWaalsContact C-N 3.29Å; L628-G630 PolarHBondContact O-N 3.14Å; L628-V631 WeakPolarHBondContact O-CB 2.98Å; L628-V631 PolarHBondContact O-N 2.93Å; L628-I632 PolarHBondContact O-N 3.2Å
629	T	96	Very high	95	Very high	13 Å²	13	26.7 Å²	26.7	8%	0.08	14%	0.136	C	C	.	.	H	α-helix	trans	-62.3	-38.4	174.8	-56.4	0	0	0	0	111.3	V431 L625 L626 F627 I632	V431-T629 HydrophobicContact CG2-CG2 3.81Å; L625-T629 WeakPolarHBondContact O-CB 3.09Å; L625-T629 PolarHBondContact O-N 2.88Å; L625-T629 PolarHBondContact O-OG1 2.62Å; L626-T629 WeakPolarHBondContact O-CB 3.14Å; L626-T629 PolarHBondContact O-N 3.01Å; F627-T629 VanDerWaalsContact C-N 3.28Å; F627-T629 PolarHBondContact O-N 3.35Å; T629-I632 PolarHBondContact O-N 2.74Å
630	G	94.9	Very high	94.8	Very high	5 Å²	5	26.1 Å²	26.1	5%	0.052	13%	0.132	C	C	.	.	H	α-helix	trans	-62.4	-41.8	171.9	0	0	0	0	0	113.2	G468 I469 L626 F627 L628 I632 Q633	G468-G630 VanDerWaalsContact C-C 3.41Å; G468-G630 CarbonylContact O-C 3.53Å; I469-G630 WeakPolarHBondContact CA-O 3.37Å; L626-G630 PolarHBondContact O-N 2.98Å; F627-G630 WeakPolarHBondContact O-CA 3.36Å; F627-G630 PolarHBondContact O-N 3.28Å; L628-G630 VanDerWaalsContact C-N 3.29Å; L628-G630 PolarHBondContact O-N 3.14Å; G630-I632 PolarHBondContact O-N 3.13Å; G630-Q633 WeakPolarHBondContact O-CB 3.41Å; G630-Q633 PolarHBondContact O-N 3.43Å; G630-Q633 VanDerWaalsContact O-N 3.12Å
631	V	96.3	Very high	94.4	Very high	4 Å²	4	23 Å²	23	2%	0.024	12%	0.116	C	C	.	.	H	α-helix	trans	-59.5	-31.6	-179.8	171	0	0	0	0	112.4	G468 V471 I475 F489 I493 F627 L628 Q633 P635	G468-V631 VanDerWaalsContact O-CA 3.31Å; G468-V631 WeakPolarHBondContact O-CA 3.26Å; G468-V631 WeakPolarHBondContact O-CG2 3.48Å; G468-V631 PolarHBondContact O-N 3.43Å; V471-V631 HydrophobicContact CB-CG2 4.5Å; V471-V631 HydrophobicContact CG1-CG2 4.44Å; I475-V631 HydrophobicContact CD1-CG1 4.18Å; F489-V631 HydrophobicContact CE1-CG1 3.97Å; F489-V631 HydrophobicContact CZ-CG1 3.88Å; I493-V631 HydrophobicContact CD1-CB 4.41Å; I493-V631 HydrophobicContact CD1-CG1 3.64Å; F627-V631 HydrophobicContact CD1-CG2 4.37Å; F627-V631 HydrophobicContact CE1-CG2 3.93Å; F627-V631 HydrophobicContact CZ-CG2 4.06Å; F627-V631 PolarHBondContact O-N 2.91Å; L628-V631 WeakPolarHBondContact O-CB 2.98Å; L628-V631 PolarHBondContact O-N 2.93Å; V631-Q633 VanDerWaalsContact C-N 3.34Å; V631-Q633 PolarHBondContact O-N 2.86Å; V631-P635 VanDerWaalsContact O-CD 3.27Å; V631-P635 WeakPolarHBondContact O-CD 3.34Å
632	I	95.2	Very high	94.1	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-70.6	-25.9	179.9	-70.6	159.9	0	0	0	113.1	V490 I493 N494 I497 L628 T629 G630 N634 P635 L636	V490-I632 HydrophobicContact CB-CG2 4.4Å; V490-I632 HydrophobicContact CG1-CB 4.45Å; V490-I632 HydrophobicContact CG1-CG1 4.19Å; V490-I632 HydrophobicContact CG1-CG2 3.52Å; V490-I632 HydrophobicContact CG2-CG1 4.47Å; V490-I632 HydrophobicContact CG2-CG2 4.03Å; I493-I632 HydrophobicContact CB-CD1 4.1Å; I493-I632 HydrophobicContact CB-CG1 4.14Å; I493-I632 HydrophobicContact CG2-CD1 3.55Å; I493-I632 HydrophobicContact CG2-CG1 3.83Å; N494-I632 WeakPolarHBondContact ND2-CD1 3.37Å; I497-I632 HydrophobicContact CD1-CD1 3.66Å; L628-I632 PolarHBondContact O-N 3.2Å; T629-I632 PolarHBondContact O-N 2.74Å; G630-I632 PolarHBondContact O-N 3.13Å; I632-N634 PolarHBondContact O-N 3.4Å; I632-P635 WeakPolarHBondContact O-CD 3.32Å; I632-L636 PolarHBondContact O-N 2.95Å
633	Q	92.9	Very high	93.9	Very high	44 Å²	44	25.1 Å²	25.1	21%	0.206	12%	0.123	C	C	.	.	H	α-helix	trans	-58.3	-49.8	-171	-69.5	-64.1	-27.1	0	0	113.2	I469 G630 V631 L636 L637	I469-Q633 HydrophobicContact CD1-CG 4.48Å; I469-Q633 HydrophobicContact CG1-CB 4.31Å; I469-Q633 HydrophobicContact CG1-CG 4.08Å; G630-Q633 WeakPolarHBondContact O-CB 3.41Å; G630-Q633 PolarHBondContact O-N 3.43Å; G630-Q633 VanDerWaalsContact O-N 3.12Å; V631-Q633 VanDerWaalsContact C-N 3.34Å; V631-Q633 PolarHBondContact O-N 2.86Å; Q633-L636 PolarHBondContact O-N 3.35Å; Q633-L637 WeakPolarHBondContact O-CB 3.39Å; Q633-L637 PolarHBondContact O-N 3.47Å
634	N	92.3	Very high	93.6	Very high	33 Å²	33	24.8 Å²	24.8	18%	0.176	12%	0.121	C	C	.	.	H	α-helix	trans	-66.7	-47.4	-175.2	-84.1	-53	0	0	0	113.9	I469 G473 L476 I632 L636 L637 M638	I469-N634 PolarHBondContact O-ND2 3.49Å; G473-N634 WeakPolarHBondContact CA-ND2 3.41Å; G473-N634 PolarHBondContact N-ND2 3.32Å; L476-N634 HydrophobicContact CD2-CB 4.31Å; I632-N634 PolarHBondContact O-N 3.4Å; N634-L636 VanDerWaalsContact C-N 3.28Å; N634-L636 PolarHBondContact O-N 2.88Å; N634-L637 PolarHBondContact O-N 3.26Å; N634-M638 WeakPolarHBondContact O-CB 3.44Å; N634-M638 PolarHBondContact O-N 2.91Å
635	P	93.1	Very high	93	Very high	1 Å²	1	25 Å²	25	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-54.8	-41	172.6	-28.8	34.5	0	0	0	113.6	A486 F489 V490 V631 I632 M638 V639	A486-P635 HydrophobicContact CB-CB 4.23Å; F489-P635 HydrophobicContact CD1-CG 4.2Å; F489-P635 HydrophobicContact CE1-CG 4.18Å; V490-P635 HydrophobicContact CG2-CB 3.71Å; V490-P635 HydrophobicContact CG2-CG 4.32Å; V631-P635 VanDerWaalsContact O-CD 3.27Å; V631-P635 WeakPolarHBondContact O-CD 3.34Å; I632-P635 WeakPolarHBondContact O-CD 3.32Å; P635-M638 PolarHBondContact O-N 3.42Å; P635-V639 WeakPolarHBondContact O-CG2 3.19Å; P635-V639 PolarHBondContact O-N 3.02Å; P635-V639 VanDerWaalsContact O-N 3.09Å
636	L	92.8	Very high	92.2	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-72.1	-39.5	-178.7	-171.6	51.8	0	0	0	112.3	A420 C423 I424 I487 I632 Q633 N634 M638 V639 T640 Y720 L723	A420-L636 HydrophobicContact CB-CD1 4.29Å; C423-L636 HydrophobicContact CB-CD1 4.49Å; C423-L636 HydrophobicContact CB-CD2 4.25Å; I424-L636 HydrophobicContact CD1-CD2 4.18Å; I424-L636 HydrophobicContact CD1-CG 4.16Å; I424-L636 HydrophobicContact CG1-CD2 3.33Å; I424-L636 HydrophobicContact CG1-CG 3.82Å; I487-L636 HydrophobicContact CD1-CD1 4.39Å; I632-L636 PolarHBondContact O-N 2.95Å; Q633-L636 PolarHBondContact O-N 3.35Å; N634-L636 VanDerWaalsContact C-N 3.28Å; N634-L636 PolarHBondContact O-N 2.88Å; L636-M638 VanDerWaalsContact C-N 3.34Å; L636-M638 PolarHBondContact O-N 2.82Å; L636-V639 PolarHBondContact O-N 3.05Å; L636-T640 PolarHBondContact O-N 3.32Å; L636-T640 PolarHBondContact O-OG1 3.03Å; L636-Y720 HydrophobicContact CD1-CE1 4.26Å; L636-Y720 HydrophobicContact CD2-CE1 4.18Å; L636-L723 HydrophobicContact CD1-CD2 4.28Å
637	L	91.5	Very high	91.5	Very high	59 Å²	59	35.4 Å²	35.4	31%	0.309	18%	0.178	S	C	.	.	H	α-helix	trans	-59.6	-44.4	171.1	179.9	61.7	0	0	0	111.4	Q633 N634 V639 T640 M641 L653	Q633-L637 WeakPolarHBondContact O-CB 3.39Å; Q633-L637 PolarHBondContact O-N 3.47Å; N634-L637 PolarHBondContact O-N 3.26Å; L637-V639 PolarHBondContact O-N 2.66Å; L637-T640 WeakPolarHBondContact O-CB 3.43Å; L637-T640 PolarHBondContact O-N 3.16Å; L637-M641 HydrophobicContact CD1-CG 4.32Å; L637-M641 VanDerWaalsContact O-CG 3.31Å; L637-M641 WeakPolarHBondContact O-CG 3.49Å; L637-M641 PolarHBondContact O-N 3.4Å; L637-L653 HydrophobicContact CD1-CD2 3.44Å; L637-L653 VanDerWaalsContact CD1-CD2 3.44Å
638	M	91.5	Very high	90.7	Very high	6 Å²	6	34.6 Å²	34.6	3%	0.03	18%	0.175	C	C	.	.	H	α-helix	trans	-60.3	-45.1	177.3	176.1	-81.9	-77.3	0	0	112.1	P369 L476 F481 A486 N634 P635 L636 T640 M641 R642	P369-M638 HydrophobicContact CG-CB 4.2Å; P369-M638 HydrophobicContact CG-CG 3.82Å; L476-M638 HydrophobicContact CD1-CE 3.92Å; L476-M638 HydrophobicContact CD2-CB 3.93Å; L476-M638 HydrophobicContact CD2-CG 4.36Å; F481-M638 WeakPolarHBondContact O-CE 3.4Å; A486-M638 HydrophobicContact CB-CE 3.52Å; N634-M638 WeakPolarHBondContact O-CB 3.44Å; N634-M638 PolarHBondContact O-N 2.91Å; P635-M638 PolarHBondContact O-N 3.42Å; L636-M638 VanDerWaalsContact C-N 3.34Å; L636-M638 PolarHBondContact O-N 2.82Å; M638-T640 VanDerWaalsContact C-N 3.33Å; M638-T640 PolarHBondContact O-N 3Å; M638-M641 PolarHBondContact O-N 3.26Å; M638-R642 WeakPolarHBondContact O-CG 3.32Å; M638-R642 PolarHBondContact O-N 3.04Å; M638-R642 VanDerWaalsContact SD-CD 3.57Å; M638-R642 HydrophobicContact SD-CG 4.22Å; M638-R642 PolarHBondContact SD-NH1 3.09Å
639	V	93.1	Very high	90.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.8	-41.2	178.4	171.2	0	0	0	0	110.9	A486 I487 P635 L636 L637 R642 S643 L727	A486-V639 HydrophobicContact CB-CG2 4.16Å; I487-V639 HydrophobicContact CD1-CB 4.28Å; I487-V639 HydrophobicContact CD1-CG1 4.23Å; I487-V639 HydrophobicContact CD1-CG2 3.86Å; I487-V639 HydrophobicContact CG1-CG1 4.39Å; I487-V639 HydrophobicContact CG1-CG2 4.05Å; P635-V639 WeakPolarHBondContact O-CG2 3.19Å; P635-V639 PolarHBondContact O-N 3.02Å; P635-V639 VanDerWaalsContact O-N 3.09Å; L636-V639 PolarHBondContact O-N 3.05Å; L637-V639 PolarHBondContact O-N 2.66Å; V639-R642 PolarHBondContact O-N 3.46Å; V639-S643 WeakPolarHBondContact O-CB 3.23Å; V639-S643 PolarHBondContact O-N 3.09Å; V639-S643 VanDerWaalsContact O-N 3.1Å; V639-L727 HydrophobicContact CG1-CD1 4.32Å
640	T	92	Very high	89.1	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.012	21%	0.209	C	C	.	.	H	α-helix	trans	-58.9	-51	175.3	-56.1	0	0	0	0	110.7	Y417 L636 L637 M638 R642 S643 Q656	Y417-T640 HydrophobicContact CD2-CG2 3.87Å; Y417-T640 HydrophobicContact CE2-CG2 3.99Å; L636-T640 PolarHBondContact O-N 3.32Å; L636-T640 PolarHBondContact O-OG1 3.03Å; L637-T640 WeakPolarHBondContact O-CB 3.43Å; L637-T640 PolarHBondContact O-N 3.16Å; M638-T640 VanDerWaalsContact C-N 3.33Å; M638-T640 PolarHBondContact O-N 3Å; T640-R642 VanDerWaalsContact C-N 3.33Å; T640-R642 PolarHBondContact O-N 2.02Å; T640-S643 PolarHBondContact O-N 2.63Å; T640-S643 PolarHBondContact O-OG 3.18Å; T640-Q656 PolarHBondContact OG1-NE2 3.34Å
641	M	87.7	Confident	88.4	Confident	48 Å²	48	43.1 Å²	43.1	24%	0.236	22%	0.221	C	C	.	.	H	α-helix	trans	-63.2	-36.7	-178.4	-71.5	-67.8	-87.3	0	0	113.2	L637 M638 S643 R649 L653	L637-M641 HydrophobicContact CD1-CG 4.32Å; L637-M641 VanDerWaalsContact O-CG 3.31Å; L637-M641 WeakPolarHBondContact O-CG 3.49Å; L637-M641 PolarHBondContact O-N 3.4Å; M638-M641 PolarHBondContact O-N 3.26Å; M641-S643 VanDerWaalsContact C-N 3.28Å; M641-S643 PolarHBondContact O-N 3.07Å; M641-R649 HydrophobicContact CE-CB 3.79Å; M641-R649 HydrophobicContact CE-CG 4.05Å; M641-R649 PolarHBondContact O-NE 3.45Å; M641-R649 HydrophobicContact SD-CB 3.78Å; M641-R649 HydrophobicContact SD-CG 3.92Å; M641-L653 HydrophobicContact CE-CD1 4.24Å; M641-L653 HydrophobicContact SD-CD1 3.73Å; M641-L653 HydrophobicContact SD-CD2 3.99Å; M641-L653 HydrophobicContact SD-CG 3.86Å
642	R	90.8	Very high	87.8	Confident	74 Å²	74	43 Å²	43	28%	0.279	22%	0.22	S	C	.	.	H	α-helix	trans	-78.4	-10	176.5	-69	-172.5	178.2	159.9	-9.2	113.7	Q367 F481 R483 M638 V639 T640	Q367-R642 PolarHBondContact O-NH2 3.41Å; F481-R642 PolarHBondContact O-NH1 2.94Å; R483-R642 HydrophobicContact CG-CB 4.31Å; M638-R642 WeakPolarHBondContact O-CG 3.32Å; M638-R642 PolarHBondContact O-N 3.04Å; M638-R642 VanDerWaalsContact SD-CD 3.57Å; M638-R642 HydrophobicContact SD-CG 4.22Å; M638-R642 PolarHBondContact SD-NH1 3.09Å; V639-R642 PolarHBondContact O-N 3.46Å; T640-R642 VanDerWaalsContact C-N 3.33Å; T640-R642 PolarHBondContact O-N 2.02Å
643	S	90.3	Very high	87.3	Confident	17 Å²	17	45.7 Å²	45.7	12%	0.119	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-8.3	176.4	73.5	0	0	0	0	113.5	N414 V639 T640 M641	N414-S643 PolarHBondContact ND2-O 2.85Å; V639-S643 WeakPolarHBondContact O-CB 3.23Å; V639-S643 PolarHBondContact O-N 3.09Å; V639-S643 VanDerWaalsContact O-N 3.1Å; T640-S643 PolarHBondContact O-N 2.63Å; T640-S643 PolarHBondContact O-OG 3.18Å; M641-S643 VanDerWaalsContact C-N 3.28Å; M641-S643 PolarHBondContact O-N 3.07Å
644	V	90.6	Very high	86.8	Confident	10 Å²	10	45.3 Å²	45.3	6%	0.061	24%	0.242	C	C	.	.	S	Bend	trans	-124.6	145.4	-173.7	179.9	0	0	0	0	110.6	L411 Y417 Q648 R649 A652	L411-V644 HydrophobicContact CD2-CB 4.4Å; L411-V644 HydrophobicContact CD2-CG1 3.7Å; L411-V644 HydrophobicContact CD2-CG2 3.74Å; Y417-V644 HydrophobicContact CD2-CG2 3.87Å; Y417-V644 HydrophobicContact CG-CG2 4.37Å; V644-Q648 HydrophobicContact CG1-CB 3.71Å; V644-R649 PolarHBondContact O-NE 2.7Å; V644-A652 HydrophobicContact CB-CB 4.35Å; V644-A652 HydrophobicContact CG1-CB 3.91Å; V644-A652 HydrophobicContact CG2-CB 3.94Å
645	D	86.3	Confident	86.6	Confident	98 Å²	98	45.1 Å²	45.1	52%	0.524	24%	0.241	S	C	.	.			trans	-56.7	143	175.4	-64.4	-37.6	0	0	0	112.3	N647 Q648 R649	D645-N647 WeakPolarHBondContact CB-OD1 3.11Å; D645-N647 PolarHBondContact O-N 2.62Å; D645-N647 VanDerWaalsContact O-N 3.11Å; D645-Q648 PolarHBondContact O-N 3.39Å; D645-R649 PolarHBondContact O-N 2.96Å
646	H	79.7	Confident	86.6	Confident	121 Å²	121	45.7 Å²	45.7	56%	0.56	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-34.7	-173.6	-76.1	-98.4	0	0	0	114.2	Q648 R649	H646-Q648 VanDerWaalsContact C-N 3.33Å; H646-R649 PolarHBondContact CE1-NH1 3.25Å; H646-R649 VanDerWaalsContact CE1-NH1 3.26Å; H646-R649 PolarHBondContact CE1-NH2 2.97Å; H646-R649 VanDerWaalsContact ND1-CZ 3.32Å; H646-R649 PolarHBondContact ND1-NH1 3.12Å; H646-R649 VanDerWaalsContact ND1-NH1 3.17Å; H646-R649 PolarHBondContact ND1-NH2 2.04Å; H646-R649 PolarHBondContact NE2-NH2 2.71Å; H646-R649 VanDerWaalsContact NE2-NH2 3.15Å
647	N	79.5	Confident	86.4	Confident	139 Å²	139	49.4 Å²	49.4	74%	0.743	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-15.8	178.7	62.2	-13	0	0	0	113.9	D645	D645-N647 WeakPolarHBondContact CB-OD1 3.11Å; D645-N647 PolarHBondContact O-N 2.62Å; D645-N647 VanDerWaalsContact O-N 3.11Å
648	Q	81.4	Confident	86.3	Confident	31 Å²	31	48.5 Å²	48.5	15%	0.145	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-7.3	-176.9	-68.8	174.5	15.4	0	0	113.2	V407 V644 D645 H646 S650 F651 A652	V407-Q648 HydrophobicContact CG1-CB 4.49Å; V407-Q648 HydrophobicContact CG1-CG 3.94Å; V644-Q648 HydrophobicContact CG1-CB 3.71Å; D645-Q648 PolarHBondContact O-N 3.39Å; H646-Q648 VanDerWaalsContact C-N 3.33Å; Q648-S650 PolarHBondContact O-N 3Å; Q648-F651 WeakPolarHBondContact O-CB 3.36Å; Q648-F651 PolarHBondContact O-N 2.92Å; Q648-F651 VanDerWaalsContact O-N 3.12Å; Q648-A652 WeakPolarHBondContact O-CB 3.32Å; Q648-A652 PolarHBondContact O-N 3.31Å
649	R	83.4	Confident	86.5	Confident	45 Å²	45	49.5 Å²	49.5	17%	0.17	26%	0.262	C	S	.	.	H	α-helix	trans	-52.6	-48.9	-176.1	-78.5	176	-178.5	179.4	5.9	113.9	M641 V644 D645 H646 F651 A652 L653	M641-R649 HydrophobicContact CE-CB 3.79Å; M641-R649 HydrophobicContact CE-CG 4.05Å; M641-R649 PolarHBondContact O-NE 3.45Å; M641-R649 HydrophobicContact SD-CB 3.78Å; M641-R649 HydrophobicContact SD-CG 3.92Å; V644-R649 PolarHBondContact O-NE 2.7Å; D645-R649 PolarHBondContact O-N 2.96Å; H646-R649 PolarHBondContact CE1-NH1 3.25Å; H646-R649 VanDerWaalsContact CE1-NH1 3.26Å; H646-R649 PolarHBondContact CE1-NH2 2.97Å; H646-R649 VanDerWaalsContact ND1-CZ 3.32Å; H646-R649 PolarHBondContact ND1-NH1 3.12Å; H646-R649 VanDerWaalsContact ND1-NH1 3.17Å; H646-R649 PolarHBondContact ND1-NH2 2.04Å; H646-R649 PolarHBondContact NE2-NH2 2.71Å; H646-R649 VanDerWaalsContact NE2-NH2 3.15Å; R649-F651 VanDerWaalsContact C-N 3.32Å; R649-F651 PolarHBondContact O-N 2.78Å; R649-A652 WeakPolarHBondContact O-CB 3.32Å; R649-A652 PolarHBondContact O-N 3.31Å; R649-L653 WeakPolarHBondContact O-CG 3.02Å; R649-L653 PolarHBondContact O-N 2.96Å
650	S	75.6	Confident	86.6	Confident	103 Å²	103	49.9 Å²	49.9	72%	0.72	26%	0.264	S	S	*	.	H	α-helix	trans	-62.4	-40.8	179.6	-51.4	0	0	0	0	111.9	Q648 L653 G654	Q648-S650 PolarHBondContact O-N 3Å; S650-L653 PolarHBondContact O-N 2.76Å; S650-G654 PolarHBondContact O-N 3.48Å
651	F	79.9	Confident	86.7	Confident	68 Å²	68	50.3 Å²	50.3	30%	0.298	27%	0.265	S	S	.	.	H	α-helix	trans	-66.3	-40.3	175.7	-175.7	-103	0	0	0	111.7	F404 V407 V408 L411 Q648 R649 L653 G654 L655	F404-F651 HydrophobicContact CD2-CE2 4.02Å; F404-F651 HydrophobicContact CD2-CZ 4.06Å; F404-F651 AromaticContact CE2-CE2 3.51Å; F404-F651 HydrophobicContact CE2-CE2 3.51Å; F404-F651 AromaticContact CE2-CZ 3.56Å; F404-F651 HydrophobicContact CE2-CZ 3.56Å; F404-F651 HydrophobicContact CZ-CE2 4.41Å; F404-F651 HydrophobicContact CZ-CZ 4.13Å; V407-F651 HydrophobicContact CB-CD1 4.46Å; V407-F651 HydrophobicContact CB-CE1 4.44Å; V407-F651 HydrophobicContact CG1-CD1 3.4Å; V407-F651 VanDerWaalsContact CG1-CD1 3.4Å; V407-F651 HydrophobicContact CG1-CE1 3.76Å; V407-F651 HydrophobicContact CG1-CG 4.24Å; V408-F651 HydrophobicContact CG2-CE1 3.64Å; V408-F651 HydrophobicContact CG2-CZ 3.45Å; V408-F651 VanDerWaalsContact CG2-CZ 3.45Å; L411-F651 HydrophobicContact CD1-CD1 3.51Å; L411-F651 HydrophobicContact CD1-CE1 3.86Å; Q648-F651 WeakPolarHBondContact O-CB 3.36Å; Q648-F651 PolarHBondContact O-N 2.92Å; Q648-F651 VanDerWaalsContact O-N 3.12Å; R649-F651 VanDerWaalsContact C-N 3.32Å; R649-F651 PolarHBondContact O-N 2.78Å; F651-L653 PolarHBondContact O-N 3.05Å; F651-G654 PolarHBondContact O-N 2.91Å; F651-L655 WeakPolarHBondContact O-CB 3.39Å; F651-L655 PolarHBondContact O-N 2.92Å
652	A	84.2	Confident	87.1	Confident	2 Å²	2	51.7 Å²	51.7	2%	0.017	27%	0.274	C	S	.	.	H	α-helix	trans	-64.1	-37.9	176.4	0	0	0	0	0	112.7	L411 Y417 V644 Q648 R649 Q656	L411-A652 HydrophobicContact CD1-CB 3.86Å; L411-A652 HydrophobicContact CD2-CB 3.82Å; Y417-A652 HydrophobicContact CD2-CB 4.37Å; Y417-A652 HydrophobicContact CE2-CB 3.73Å; Y417-A652 WeakPolarHBondContact CE2-O 3.35Å; Y417-A652 PolarHBondContact OH-O 3.48Å; V644-A652 HydrophobicContact CB-CB 4.35Å; V644-A652 HydrophobicContact CG1-CB 3.91Å; V644-A652 HydrophobicContact CG2-CB 3.94Å; Q648-A652 WeakPolarHBondContact O-CB 3.32Å; Q648-A652 PolarHBondContact O-N 3.31Å; R649-A652 WeakPolarHBondContact O-CB 3.32Å; R649-A652 PolarHBondContact O-N 3.31Å; A652-Q656 WeakPolarHBondContact O-CB 3.45Å; A652-Q656 PolarHBondContact O-N 3.42Å
653	L	84.6	Confident	87.3	Confident	57 Å²	57	53.5 Å²	53.5	30%	0.298	28%	0.284	S	S	.	.	H	α-helix	trans	-65.4	-42.8	171.9	-66.7	178.4	0	0	0	111.6	L637 M641 R649 S650 F651 Q656 F657	L637-L653 HydrophobicContact CD1-CD2 3.44Å; L637-L653 VanDerWaalsContact CD1-CD2 3.44Å; M641-L653 HydrophobicContact CE-CD1 4.24Å; M641-L653 HydrophobicContact SD-CD1 3.73Å; M641-L653 HydrophobicContact SD-CD2 3.99Å; M641-L653 HydrophobicContact SD-CG 3.86Å; R649-L653 WeakPolarHBondContact O-CG 3.02Å; R649-L653 PolarHBondContact O-N 2.96Å; S650-L653 PolarHBondContact O-N 2.76Å; F651-L653 PolarHBondContact O-N 3.05Å; L653-Q656 PolarHBondContact O-N 3Å; L653-F657 WeakPolarHBondContact O-CB 3.39Å; L653-F657 PolarHBondContact O-N 3.43Å
654	G	83.3	Confident	87.6	Confident	36 Å²	36	52.7 Å²	52.7	37%	0.371	28%	0.278	S	S	.	.	H	α-helix	trans	-62.5	-42.7	175.7	0	0	0	0	0	113.2	S650 F651 F657 T658	S650-G654 PolarHBondContact O-N 3.48Å; F651-G654 PolarHBondContact O-N 2.91Å; G654-F657 PolarHBondContact O-N 3.03Å; G654-T658 PolarHBondContact O-N 3.49Å; G654-T658 PolarHBondContact O-OG1 3.01Å
655	L	88.1	Confident	87.9	Confident	29 Å²	29	55 Å²	55	15%	0.152	29%	0.286	C	S	.	.	H	α-helix	trans	-65.9	-42.1	174.7	178.6	63.1	0	0	0	111.2	L411 Y417 F651 F657 T658 I659	L411-L655 HydrophobicContact CB-CD2 3.98Å; L411-L655 HydrophobicContact CD1-CD2 3.86Å; Y417-L655 HydrophobicContact CE1-CD2 4.15Å; Y417-L655 WeakPolarHBondContact OH-CB 3.44Å; F651-L655 WeakPolarHBondContact O-CB 3.39Å; F651-L655 PolarHBondContact O-N 2.92Å; L655-F657 VanDerWaalsContact C-N 3.34Å; L655-F657 PolarHBondContact O-N 3.37Å; L655-T658 WeakPolarHBondContact O-CB 3.35Å; L655-T658 PolarHBondContact O-N 3.34Å; L655-I659 HydrophobicContact CD1-CD1 4.26Å; L655-I659 HydrophobicContact CD1-CG1 4.37Å; L655-I659 HydrophobicContact CG-CD1 3.94Å; L655-I659 HydrophobicContact CG-CG1 4.49Å; L655-I659 VanDerWaalsContact O-CG1 3.27Å; L655-I659 WeakPolarHBondContact O-CG1 3.26Å; L655-I659 PolarHBondContact O-N 3.35Å
656	Q	91.4	Very high	88.4	Confident	13 Å²	13	52.3 Å²	52.3	6%	0.061	27%	0.271	C	S	.	.	H	α-helix	trans	-62.4	-44.2	177.7	176.6	173.1	66	0	0	110.5	Y417 I424 T640 A652 L653 T658 I659 V660	Y417-Q656 HydrophobicContact CE2-CB 4.25Å; Y417-Q656 PolarHBondContact OH-N 2.94Å; I424-Q656 VanDerWaalsContact CD1-CD 3.44Å; I424-Q656 HydrophobicContact CD1-CG 4.17Å; T640-Q656 PolarHBondContact OG1-NE2 3.34Å; A652-Q656 WeakPolarHBondContact O-CB 3.45Å; A652-Q656 PolarHBondContact O-N 3.42Å; L653-Q656 PolarHBondContact O-N 3Å; Q656-T658 VanDerWaalsContact C-N 3.31Å; Q656-T658 PolarHBondContact O-N 3.36Å; Q656-I659 PolarHBondContact O-N 3.01Å; Q656-V660 HydrophobicContact CG-CG2 4.45Å; Q656-V660 WeakPolarHBondContact O-CB 3.02Å; Q656-V660 VanDerWaalsContact O-CG2 3.23Å; Q656-V660 WeakPolarHBondContact O-CG2 3.41Å; Q656-V660 PolarHBondContact O-N 3.43Å
657	F	89.7	Confident	89.2	Confident	79 Å²	79	48.4 Å²	48.4	35%	0.346	26%	0.257	S	S	.	.	H	α-helix	trans	-59.8	-41.9	174.8	-173.5	-112	0	0	0	112.1	Y110 L653 G654 L655 V660 R661	Y110-F657 AromaticContact CE1-CE1 3.91Å; Y110-F657 HydrophobicContact CE1-CE1 3.91Å; Y110-F657 AromaticContact CZ-CE1 3.88Å; Y110-F657 WeakPolarHBondContact OH-CE1 3.49Å; L653-F657 WeakPolarHBondContact O-CB 3.39Å; L653-F657 PolarHBondContact O-N 3.43Å; G654-F657 PolarHBondContact O-N 3.03Å; L655-F657 VanDerWaalsContact C-N 3.34Å; L655-F657 PolarHBondContact O-N 3.37Å; F657-V660 PolarHBondContact O-N 3.24Å; F657-R661 VanDerWaalsContact CZ-NH2 3.34Å; F657-R661 WeakPolarHBondContact O-CG 3.32Å; F657-R661 PolarHBondContact O-N 2.81Å
658	T	90.2	Very high	90.1	Very high	40 Å²	40	41.8 Å²	41.8	25%	0.245	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-44.1	176	-54.6	0	0	0	0	111.8	G654 L655 Q656 R661 L662	G654-T658 PolarHBondContact O-N 3.49Å; G654-T658 PolarHBondContact O-OG1 3.01Å; L655-T658 WeakPolarHBondContact O-CB 3.35Å; L655-T658 PolarHBondContact O-N 3.34Å; Q656-T658 VanDerWaalsContact C-N 3.31Å; Q656-T658 PolarHBondContact O-N 3.36Å; T658-R661 PolarHBondContact O-N 3.15Å; T658-L662 WeakPolarHBondContact O-CB 3.45Å; T658-L662 PolarHBondContact O-N 3.13Å
659	I	94.3	Very high	90.8	Very high	28 Å²	28	40.6 Å²	40.6	14%	0.144	22%	0.216	C	C	.	.	H	α-helix	trans	-60.7	-46.6	175.8	-68.9	167	0	0	0	110.4	I418 C421 L655 Q656 R661 L662 F663	I418-I659 HydrophobicContact CD1-CD1 4.46Å; C421-I659 HydrophobicContact CB-CG2 4.15Å; L655-I659 HydrophobicContact CD1-CD1 4.26Å; L655-I659 HydrophobicContact CD1-CG1 4.37Å; L655-I659 HydrophobicContact CG-CD1 3.94Å; L655-I659 HydrophobicContact CG-CG1 4.49Å; L655-I659 VanDerWaalsContact O-CG1 3.27Å; L655-I659 WeakPolarHBondContact O-CG1 3.26Å; L655-I659 PolarHBondContact O-N 3.35Å; Q656-I659 PolarHBondContact O-N 3.01Å; I659-R661 VanDerWaalsContact C-N 3.34Å; I659-R661 PolarHBondContact O-N 2.93Å; I659-L662 PolarHBondContact O-N 3.44Å; I659-F663 HydrophobicContact CG2-CD2 3.8Å; I659-F663 HydrophobicContact CG2-CE2 4.26Å; I659-F663 WeakPolarHBondContact O-CD2 3.46Å; I659-F663 PolarHBondContact O-N 3.26Å
660	V	95.4	Very high	91.5	Very high	7 Å²	7	41.5 Å²	41.5	4%	0.042	22%	0.224	C	C	.	.	H	α-helix	trans	-62	-41.3	179	168.5	0	0	0	0	111.2	I424 M428 Q656 F657 L662 A664 Y665	I424-V660 HydrophobicContact CB-CG2 4.08Å; I424-V660 HydrophobicContact CG2-CG1 4.4Å; I424-V660 HydrophobicContact CG2-CG2 3.57Å; M428-V660 HydrophobicContact CB-CG1 3.92Å; M428-V660 HydrophobicContact CG-CG1 3.86Å; Q656-V660 HydrophobicContact CG-CG2 4.45Å; Q656-V660 WeakPolarHBondContact O-CB 3.02Å; Q656-V660 VanDerWaalsContact O-CG2 3.23Å; Q656-V660 WeakPolarHBondContact O-CG2 3.41Å; Q656-V660 PolarHBondContact O-N 3.43Å; F657-V660 PolarHBondContact O-N 3.24Å; V660-L662 PolarHBondContact O-N 3.07Å; V660-A664 HydrophobicContact CG1-CB 4.38Å; V660-A664 WeakPolarHBondContact O-CA 3.47Å; V660-A664 VanDerWaalsContact O-CB 3.22Å; V660-A664 WeakPolarHBondContact O-CB 3.33Å; V660-A664 PolarHBondContact O-N 3.15Å; V660-Y665 HydrophobicContact CG1-CD2 3.77Å; V660-Y665 HydrophobicContact CG1-CE2 3.51Å; V660-Y665 PolarHBondContact O-N 3.24Å
661	R	94.7	Very high	92.6	Very high	11 Å²	11	39.1 Å²	39.1	4%	0.042	21%	0.205	C	C	.	.	I	π-helix	trans	-62.2	-44.4	175.1	-76.5	-178.3	173.1	-111.7	10.8	112.3	E107 Y110 I111 F657 T658 I659 Y665 L666	E107-R661 IonicContact OE1-NH1 3.92Å; E107-R661 PolarHBondContact OE1-NH1 3.49Å; E107-R661 WeakPolarHBondContact OE2-CD 3.37Å; E107-R661 WeakPolarHBondContact OE2-CG 3.49Å; E107-R661 IonicContact OE2-CZ 3.12Å; E107-R661 IonicContact OE2-NE 3.51Å; E107-R661 IonicContact OE2-NH1 2.97Å; E107-R661 PolarHBondContact OE2-NH1 2.93Å; Y110-R661 VanDerWaalsContact CD1-NH1 3.27Å; Y110-R661 VanDerWaalsContact CE1-NE 3.33Å; Y110-R661 VanDerWaalsContact CE2-CZ 3.48Å; Y110-R661 VanDerWaalsContact CG-CZ 3.45Å; Y110-R661 VanDerWaalsContact CZ-CZ 3.41Å; I111-R661 HydrophobicContact CD1-CB 4.2Å; I111-R661 HydrophobicContact CG1-CB 4.29Å; F657-R661 VanDerWaalsContact CZ-NH2 3.34Å; F657-R661 WeakPolarHBondContact O-CG 3.32Å; F657-R661 PolarHBondContact O-N 2.81Å; T658-R661 PolarHBondContact O-N 3.15Å; I659-R661 VanDerWaalsContact C-N 3.34Å; I659-R661 PolarHBondContact O-N 2.93Å; R661-Y665 HydrophobicContact CG-CG 4.35Å; R661-Y665 PolarHBondContact O-N 2.76Å; R661-L666 WeakPolarHBondContact O-CB 3.27Å; R661-L666 PolarHBondContact O-N 2.81Å
662	L	95.3	Very high	93.4	Very high	78 Å²	78	36 Å²	36	41%	0.408	19%	0.191	S	C	.	.	I	π-helix	trans	-65.9	-42.7	-178.7	-176.5	63	0	0	0	113.1	I111 T658 I659 V660 L666 P667	I111-L662 HydrophobicContact CD1-CB 4.32Å; I111-L662 HydrophobicContact CD1-CD1 4.29Å; T658-L662 WeakPolarHBondContact O-CB 3.45Å; T658-L662 PolarHBondContact O-N 3.13Å; I659-L662 PolarHBondContact O-N 3.44Å; V660-L662 PolarHBondContact O-N 3.07Å; L662-L666 HydrophobicContact CD1-CD2 4.2Å; L662-P667 WeakPolarHBondContact O-CD 3Å
663	F	95.9	Very high	94.1	Very high	111 Å²	111	36 Å²	36	49%	0.487	19%	0.19	S	C	.	.	I	π-helix	trans	-102.2	-14.1	-172.3	-69.4	-71.7	0	0	0	115	C425 I659 P667	C425-F663 HydrophobicContact CB-CB 4.49Å; I659-F663 HydrophobicContact CG2-CD2 3.8Å; I659-F663 HydrophobicContact CG2-CE2 4.26Å; I659-F663 WeakPolarHBondContact O-CD2 3.46Å; I659-F663 PolarHBondContact O-N 3.26Å; F663-P667 WeakPolarHBondContact O-CG 3.26Å
664	A	97.1	Very high	94.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.204	C	C	.	.	I	π-helix	trans	-116.1	-61.2	175.3	0	0	0	0	0	112	C425 M428 F429 V660 L666 P667 S668	C425-A664 WeakPolarHBondContact O-CB 3.4Å; M428-A664 HydrophobicContact CB-CB 3.85Å; F429-A664 HydrophobicContact CB-CB 4.07Å; V660-A664 HydrophobicContact CG1-CB 4.38Å; V660-A664 WeakPolarHBondContact O-CA 3.47Å; V660-A664 VanDerWaalsContact O-CB 3.22Å; V660-A664 WeakPolarHBondContact O-CB 3.33Å; V660-A664 PolarHBondContact O-N 3.15Å; A664-L666 PolarHBondContact O-N 3.18Å; A664-P667 WeakPolarHBondContact O-CD 3.47Å; A664-S668 WeakPolarHBondContact O-CB 3.18Å; A664-S668 PolarHBondContact O-N 2.78Å
665	Y	95.9	Very high	95.3	Very high	60 Å²	60	40.3 Å²	40.3	24%	0.235	20%	0.195	C	C	.	.	I	π-helix	trans	-66.8	-39.6	-169.6	-72.3	-122.7	0	0	0	112.5	E107 M428 V432 V660 R661 P669	E107-Y665 WeakPolarHBondContact OE1-CD1 3.44Å; M428-Y665 HydrophobicContact CB-CE2 4Å; M428-Y665 HydrophobicContact CG-CE2 4.24Å; M428-Y665 HydrophobicContact SD-CE2 4.23Å; V432-Y665 HydrophobicContact CG1-CD1 4.21Å; V432-Y665 HydrophobicContact CG1-CG 4.34Å; V432-Y665 HydrophobicContact CG2-CD1 3.89Å; V432-Y665 HydrophobicContact CG2-CD2 3.92Å; V432-Y665 HydrophobicContact CG2-CE1 3.69Å; V432-Y665 HydrophobicContact CG2-CE2 3.68Å; V432-Y665 HydrophobicContact CG2-CG 3.99Å; V660-Y665 HydrophobicContact CG1-CD2 3.77Å; V660-Y665 HydrophobicContact CG1-CE2 3.51Å; V660-Y665 PolarHBondContact O-N 3.24Å; R661-Y665 HydrophobicContact CG-CG 4.35Å; R661-Y665 PolarHBondContact O-N 2.76Å; Y665-P669 WeakPolarHBondContact O-CD 3.48Å
666	L	96.3	Very high	95.7	Very high	41 Å²	41	39 Å²	39	22%	0.215	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-53.3	179.5	179.2	73.6	0	0	0	113.3	S104 E107 V108 R661 L662 A664	S104-L666 WeakPolarHBondContact CB-O 3.32Å; S104-L666 VanDerWaalsContact O-CD1 3.3Å; S104-L666 WeakPolarHBondContact O-CD1 3.48Å; S104-L666 PolarHBondContact OG-O 2.95Å; E107-L666 HydrophobicContact CB-CB 4.14Å; E107-L666 HydrophobicContact CB-CD1 4.04Å; V108-L666 HydrophobicContact CG2-CD1 3.45Å; V108-L666 VanDerWaalsContact CG2-CD1 3.45Å; R661-L666 WeakPolarHBondContact O-CB 3.27Å; R661-L666 PolarHBondContact O-N 2.81Å; L662-L666 HydrophobicContact CD1-CD2 4.2Å; A664-L666 PolarHBondContact O-N 3.18Å
667	P	97.1	Very high	96	Very high	39 Å²	39	38.9 Å²	38.9	25%	0.253	19%	0.188	S	C	.	.	H	α-helix	trans	-78.1	-25.6	-176.8	28.3	-36.2	0	0	0	113.9	F429 L662 F663 A664 I670 V671	F429-P667 HydrophobicContact CD2-CG 4.27Å; F429-P667 HydrophobicContact CE2-CB 4.13Å; F429-P667 HydrophobicContact CE2-CG 3.95Å; L662-P667 WeakPolarHBondContact O-CD 3Å; F663-P667 WeakPolarHBondContact O-CG 3.26Å; A664-P667 WeakPolarHBondContact O-CD 3.47Å; P667-I670 PolarHBondContact O-N 2.7Å; P667-V671 WeakPolarHBondContact O-CG2 3.27Å; P667-V671 PolarHBondContact O-N 3.44Å
668	S	97.6	Very high	96.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.6	-50	-168.4	-179.4	0	0	0	0	114.2	F429 G433 A664 I670 V671 Y672	F429-S668 WeakPolarHBondContact O-CB 3.42Å; F429-S668 PolarHBondContact O-OG 3.45Å; G433-S668 WeakPolarHBondContact CA-OG 3.17Å; G433-S668 PolarHBondContact N-OG 3.42Å; A664-S668 WeakPolarHBondContact O-CB 3.18Å; A664-S668 PolarHBondContact O-N 2.78Å; S668-I670 PolarHBondContact O-N 3.11Å; S668-V671 PolarHBondContact O-N 3.32Å; S668-V671 VanDerWaalsContact O-N 3.16Å; S668-Y672 WeakPolarHBondContact O-CD2 3.14Å; S668-Y672 PolarHBondContact O-N 3.24Å
669	P	97	Very high	96.5	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.032	18%	0.179	C	C	.	.	H	α-helix	trans	-60.4	-33.6	177.2	-23.6	34.7	0	0	0	113.1	G100 N103 V432 F437 Y665 G673	G100-P669 WeakPolarHBondContact CA-O 3.3Å; N103-P669 HydrophobicContact CB-CB 4.38Å; V432-P669 HydrophobicContact CG1-CG 4.44Å; F437-P669 HydrophobicContact CE2-CB 4.28Å; F437-P669 VanDerWaalsContact CE2-O 3.28Å; F437-P669 WeakPolarHBondContact CE2-O 3.49Å; Y665-P669 WeakPolarHBondContact O-CD 3.48Å; P669-G673 PolarHBondContact O-N 2.81Å
670	I	97.8	Very high	96.6	Very high	65 Å²	65	34.6 Å²	34.6	33%	0.333	18%	0.178	S	C	.	.	H	α-helix	trans	-64.1	-48.6	176.3	-52.4	-179.7	0	0	0	110.3	V101 S104 P667 S668 G673 R674	V101-I670 HydrophobicContact CG2-CG1 4.44Å; V101-I670 HydrophobicContact CG2-CG2 4.34Å; S104-I670 WeakPolarHBondContact OG-CG1 3.47Å; P667-I670 PolarHBondContact O-N 2.7Å; S668-I670 PolarHBondContact O-N 3.11Å; I670-G673 PolarHBondContact O-N 3.44Å; I670-R674 WeakPolarHBondContact O-CB 3.41Å; I670-R674 PolarHBondContact O-N 3.02Å
671	V	98.2	Very high	96.4	Very high	53 Å²	53	39.5 Å²	39.5	32%	0.321	20%	0.195	S	C	.	.	H	α-helix	trans	-65.6	-47.5	-179	173.9	0	0	0	0	111	F429 P667 S668 G673 R674 V675 L708	F429-V671 HydrophobicContact CZ-CB 3.96Å; F429-V671 HydrophobicContact CZ-CG1 4.15Å; F429-V671 HydrophobicContact CZ-CG2 4.04Å; P667-V671 WeakPolarHBondContact O-CG2 3.27Å; P667-V671 PolarHBondContact O-N 3.44Å; S668-V671 PolarHBondContact O-N 3.32Å; S668-V671 VanDerWaalsContact O-N 3.16Å; V671-G673 PolarHBondContact O-N 3.44Å; V671-R674 PolarHBondContact O-N 3.29Å; V671-V675 WeakPolarHBondContact O-CB 3.37Å; V671-V675 WeakPolarHBondContact O-CG2 3.48Å; V671-V675 PolarHBondContact O-N 3.19Å; V671-L708 HydrophobicContact CG1-CD1 4.05Å; V671-L708 HydrophobicContact CG1-CD2 3.7Å
672	Y	98	Very high	96.2	Very high	3 Å²	3	39.4 Å²	39.4	1%	0.012	20%	0.195	C	C	.	.	H	α-helix	trans	-63.6	-40.9	177.9	-88.3	-97.8	0	0	0	112	F429 F434 S668 R674 V675 I676 I705 L708	F429-Y672 HydrophobicContact CD1-CE2 4.32Å; F429-Y672 HydrophobicContact CE1-CD2 4.46Å; F429-Y672 HydrophobicContact CE1-CE2 4.03Å; F434-Y672 HydrophobicContact CB-CE1 4.01Å; F434-Y672 HydrophobicContact CD2-CE1 4.17Å; S668-Y672 WeakPolarHBondContact O-CD2 3.14Å; S668-Y672 PolarHBondContact O-N 3.24Å; Y672-R674 VanDerWaalsContact C-N 3.32Å; Y672-R674 PolarHBondContact O-N 2.69Å; Y672-V675 PolarHBondContact O-N 3.37Å; Y672-I676 VanDerWaalsContact O-CG1 3.32Å; Y672-I676 WeakPolarHBondContact O-CG1 3.48Å; Y672-I676 PolarHBondContact O-N 3.5Å; Y672-I705 HydrophobicContact CE1-CG2 4.19Å; Y672-L708 HydrophobicContact CD2-CD2 3.86Å; Y672-L708 HydrophobicContact CE1-CD2 4.3Å; Y672-L708 HydrophobicContact CE2-CD2 3.62Å; Y672-L708 HydrophobicContact CG-CD2 4.31Å
673	G	97.1	Very high	96	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.2	-44.1	174.6	0	0	0	0	0	112.1	S96 P669 I670 V671 V675 I676 D677	S96-G673 WeakPolarHBondContact CB-O 3.05Å; S96-G673 WeakPolarHBondContact O-CA 3.5Å; P669-G673 PolarHBondContact O-N 2.81Å; I670-G673 PolarHBondContact O-N 3.44Å; V671-G673 PolarHBondContact O-N 3.44Å; G673-V675 PolarHBondContact O-N 2.94Å; G673-I676 PolarHBondContact O-N 2.89Å; G673-D677 VanDerWaalsContact O-CG 3.29Å; G673-D677 PolarHBondContact O-N 3.28Å; G673-D677 VanDerWaalsContact O-N 3.09Å
674	R	97.1	Very high	95.5	Very high	155 Å²	155	36.4 Å²	36.4	59%	0.585	18%	0.175	S	C	*	.	H	α-helix	trans	-68.2	-34.2	178	-172.8	62.6	-176.3	87.5	-6.1	113.4	I670 V671 Y672 G678	I670-R674 WeakPolarHBondContact O-CB 3.41Å; I670-R674 PolarHBondContact O-N 3.02Å; V671-R674 PolarHBondContact O-N 3.29Å; Y672-R674 VanDerWaalsContact C-N 3.32Å; Y672-R674 PolarHBondContact O-N 2.69Å; R674-G678 PolarHBondContact O-N 2.85Å; R674-G678 VanDerWaalsContact O-N 3.08Å
675	V	97.6	Very high	94.7	Very high	29 Å²	29	37.9 Å²	37.9	18%	0.176	19%	0.185	C	C	.	.	H	α-helix	trans	-65.7	-45.5	175.3	157.7	0	0	0	0	111.2	V671 Y672 G673 G678 A679 I705 L708	V671-V675 WeakPolarHBondContact O-CB 3.37Å; V671-V675 WeakPolarHBondContact O-CG2 3.48Å; V671-V675 PolarHBondContact O-N 3.19Å; Y672-V675 PolarHBondContact O-N 3.37Å; G673-V675 PolarHBondContact O-N 2.94Å; V675-G678 PolarHBondContact O-N 2.79Å; V675-G678 VanDerWaalsContact O-N 3.15Å; V675-A679 PolarHBondContact O-N 3.3Å; V675-I705 HydrophobicContact CG1-CG1 3.77Å; V675-L708 HydrophobicContact CG2-CD2 4.17Å
676	I	96.8	Very high	93.4	Very high	2 Å²	2	39 Å²	39	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-61.9	-46.7	177.5	-68.7	165.8	0	0	0	110.5	S96 F437 K440 M444 Y672 G673 G678 A679 L701 I705	S96-I676 VanDerWaalsContact OG-CG2 3.28Å; S96-I676 WeakPolarHBondContact OG-CG2 3.45Å; F437-I676 HydrophobicContact CB-CD1 3.54Å; F437-I676 HydrophobicContact CD1-CD1 3.76Å; F437-I676 HydrophobicContact CD2-CD1 4.26Å; F437-I676 HydrophobicContact CG-CD1 3.59Å; K440-I676 HydrophobicContact CD-CG2 4.46Å; M444-I676 HydrophobicContact CE-CG2 3.75Å; Y672-I676 VanDerWaalsContact O-CG1 3.32Å; Y672-I676 WeakPolarHBondContact O-CG1 3.48Å; Y672-I676 PolarHBondContact O-N 3.5Å; G673-I676 PolarHBondContact O-N 2.89Å; I676-G678 PolarHBondContact O-N 3.26Å; I676-A679 PolarHBondContact O-N 2.75Å; I676-L701 HydrophobicContact CB-CD1 4.49Å; I676-L701 HydrophobicContact CG1-CD1 4.13Å; I676-L701 HydrophobicContact CG2-CD1 4.35Å; I676-I705 HydrophobicContact CG1-CD1 4.08Å
677	D	96	Very high	92.2	Very high	11 Å²	11	39.5 Å²	39.5	6%	0.059	20%	0.199	C	C	.	.	H	α-helix	trans	-59.9	-32.5	176.6	-70	-7.3	0	0	0	112	S96 S97 G673 A679 C680 W683	S96-D677 WeakPolarHBondContact CA-OD1 3.19Å; S96-D677 VanDerWaalsContact CB-OD1 3.27Å; S96-D677 WeakPolarHBondContact CB-OD1 3.26Å; S96-D677 PolarHBondContact N-OD1 2.73Å; S96-D677 PolarHBondContact N-OD2 3.27Å; S96-D677 PolarHBondContact OG-OD1 3.27Å; S97-D677 WeakPolarHBondContact CB-OD2 3.43Å; S97-D677 PolarHBondContact N-OD2 2.88Å; S97-D677 PolarHBondContact OG-OD2 3.31Å; G673-D677 VanDerWaalsContact O-CG 3.29Å; G673-D677 PolarHBondContact O-N 3.28Å; G673-D677 VanDerWaalsContact O-N 3.09Å; D677-A679 PolarHBondContact O-N 3.27Å; D677-C680 VanDerWaalsContact O-CB 3.24Å; D677-C680 WeakPolarHBondContact O-CB 3.32Å; D677-C680 PolarHBondContact O-N 3.33Å; D677-W683 HydrophobicContact CB-CH2 3.83Å; D677-W683 HydrophobicContact CB-CZ2 3.89Å
678	G	96	Very high	91	Very high	36 Å²	36	41.1 Å²	41.1	37%	0.371	22%	0.223	S	C	.	.	H	α-helix	trans	-64.9	-24	175.5	0	0	0	0	0	114.3	R674 V675 I676 C680	R674-G678 PolarHBondContact O-N 2.85Å; R674-G678 VanDerWaalsContact O-N 3.08Å; V675-G678 PolarHBondContact O-N 2.79Å; V675-G678 VanDerWaalsContact O-N 3.15Å; I676-G678 PolarHBondContact O-N 3.26Å; G678-C680 VanDerWaalsContact C-N 3.35Å
679	A	96.1	Very high	89.9	Confident	4 Å²	4	45.8 Å²	45.8	3%	0.033	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-2.5	176.3	0	0	0	0	0	113.4	V675 I676 D677 V696 D697 L701 Y704	V675-A679 PolarHBondContact O-N 3.3Å; I676-A679 PolarHBondContact O-N 2.75Å; D677-A679 PolarHBondContact O-N 3.27Å; A679-V696 HydrophobicContact CB-CG1 3.85Å; A679-D697 PolarHBondContact O-N 3.2Å; A679-D697 VanDerWaalsContact O-N 3.11Å; A679-L701 HydrophobicContact CB-CB 3.9Å; A679-L701 HydrophobicContact CB-CD1 4.18Å; A679-Y704 HydrophobicContact CB-CD2 4.13Å; A679-Y704 HydrophobicContact CB-CE2 4.43Å
680	C	95.1	Very high	89.2	Confident	17 Å²	17	49.6 Å²	49.6	12%	0.115	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	132.4	-179.2	-168	0	0	0	0	111.9	D677 G678 F682 W683 C693	D677-C680 VanDerWaalsContact O-CB 3.24Å; D677-C680 WeakPolarHBondContact O-CB 3.32Å; D677-C680 PolarHBondContact O-N 3.33Å; G678-C680 VanDerWaalsContact C-N 3.35Å; C680-F682 PolarHBondContact SG-O 3.37Å; C680-F682 VanDerWaalsContact SG-O 3.36Å; C680-W683 HydrophobicContact CB-CD2 4.34Å; C680-W683 HydrophobicContact CB-CH2 4.46Å; C680-W683 HydrophobicContact CB-CZ2 3.6Å; C680-C693 WeakPolarHBondContact CA-SG 3.14Å; C680-C693 HydrophobicContact CB-CB 3.86Å; C680-C693 WeakPolarHBondContact CB-SG 3.37Å; C680-C693 VanDerWaalsContact SG-CA 3.55Å; C680-C693 WeakPolarHBondContact SG-CB 3.06Å; C680-C693 CovalentContact SG-SG 2.02Å; C680-C693 PolarHBondContact SG-SG 3.22Å
681	R	92.1	Very high	88.5	Confident	110 Å²	110	46.7 Å²	46.7	42%	0.415	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-36.4	175.5	-76.3	-65.2	-163.3	-176.7	0.2	113	F695 D697	R681-F695 HydrophobicContact CB-CD1 3.77Å; R681-F695 HydrophobicContact CB-CE1 4.22Å; R681-F695 HydrophobicContact CG-CD1 4.4Å; R681-F695 HydrophobicContact CG-CE1 4.39Å; R681-F695 PolarHBondContact N-O 3.11Å; R681-D697 HydrophobicContact CG-CB 3.58Å; R681-D697 IonicContact CZ-OD2 2.87Å; R681-D697 IonicContact NE-OD2 2.58Å; R681-D697 PolarHBondContact NE-OD2 3.22Å; R681-D697 VanDerWaalsContact NE-OD2 3.12Å; R681-D697 IonicContact NH2-OD2 3.78Å; R681-D697 PolarHBondContact NH2-OD2 3.46Å
682	F	90.4	Very high	88.1	Confident	8 Å²	8	44.6 Å²	44.6	4%	0.035	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	113.3	-179.7	-169.9	-85.9	0	0	0	109.8	L517 M531 Q543 W546 I559 C680 A694 F695	L517-F682 HydrophobicContact CD1-CB 4.28Å; L517-F682 HydrophobicContact CD1-CD2 4.44Å; M531-F682 HydrophobicContact CE-CD2 3.67Å; M531-F682 HydrophobicContact CE-CE2 3.59Å; M531-F682 HydrophobicContact SD-CD2 4.36Å; M531-F682 HydrophobicContact SD-CE2 3.76Å; Q543-F682 WeakPolarHBondContact O-CZ 3.27Å; W546-F682 HydrophobicContact CB-CE1 4.02Å; W546-F682 HydrophobicContact CD2-CD1 4.32Å; W546-F682 HydrophobicContact CD2-CE1 4.47Å; W546-F682 AromaticContact CE3-CD1 3.59Å; W546-F682 HydrophobicContact CE3-CD1 3.59Å; W546-F682 HydrophobicContact CE3-CD2 4.49Å; W546-F682 AromaticContact CE3-CE1 3.78Å; W546-F682 HydrophobicContact CE3-CE1 3.78Å; W546-F682 AromaticContact CE3-CG 3.97Å; W546-F682 HydrophobicContact CE3-CG 3.97Å; W546-F682 HydrophobicContact CE3-CZ 4.31Å; W546-F682 HydrophobicContact CZ3-CB 4.38Å; W546-F682 HydrophobicContact CZ3-CD1 4.2Å; W546-F682 HydrophobicContact CZ3-CG 4.12Å; I559-F682 HydrophobicContact CD1-CE2 4.4Å; I559-F682 HydrophobicContact CG2-CZ 4.36Å; C680-F682 PolarHBondContact SG-O 3.37Å; C680-F682 VanDerWaalsContact SG-O 3.36Å; F682-A694 HydrophobicContact CD1-CB 3.72Å; F682-A694 HydrophobicContact CE1-CB 4.34Å; F682-A694 PolarHBondContact O-N 3.17Å; F682-F695 HydrophobicContact CB-CB 3.91Å; F682-F695 PolarHBondContact N-O 2.79Å; F682-F695 VanDerWaalsContact N-O 3.13Å; F682-F695 PolarHBondContact O-N 2.94Å
683	W	90.8	Very high	87.8	Confident	81 Å²	81	45.3 Å²	45.3	31%	0.307	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	130.8	172.4	-70.9	94.4	0	0	0	109	D677 C680 V690 G691 C693	D677-W683 HydrophobicContact CB-CH2 3.83Å; D677-W683 HydrophobicContact CB-CZ2 3.89Å; C680-W683 HydrophobicContact CB-CD2 4.34Å; C680-W683 HydrophobicContact CB-CH2 4.46Å; C680-W683 HydrophobicContact CB-CZ2 3.6Å; W683-V690 HydrophobicContact CB-CG1 3.95Å; W683-V690 HydrophobicContact CD2-CG1 3.62Å; W683-V690 HydrophobicContact CE3-CG1 3.5Å; W683-V690 VanDerWaalsContact CE3-CG1 3.5Å; W683-V690 HydrophobicContact CG-CG1 3.84Å; W683-V690 HydrophobicContact CZ3-CG1 4.21Å; W683-G691 VanDerWaalsContact CE3-O 3.27Å; W683-G691 VanDerWaalsContact CZ3-O 3.29Å; W683-G691 WeakPolarHBondContact CZ3-O 3.19Å; W683-C693 HydrophobicContact CE3-CB 4.26Å; W683-C693 HydrophobicContact CH2-CB 4.37Å; W683-C693 HydrophobicContact CZ3-CB 4.15Å
684	R	85.5	Confident	87.4	Confident	46 Å²	46	46.1 Å²	46.1	17%	0.174	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	140.7	164	-79.5	165.5	170.2	166.5	-5.9	108.3	W546 G691 D692 A694	W546-R684 HydrophobicContact CB-CG 4.2Å; W546-R684 PolarHBondContact O-NH2 2.72Å; R684-G691 VanDerWaalsContact O-CA 3.26Å; R684-G691 WeakPolarHBondContact O-CA 3.36Å; R684-G691 PolarHBondContact O-N 2.65Å; R684-D692 VanDerWaalsContact CD-OD1 3.27Å; R684-D692 WeakPolarHBondContact CD-OD1 3.09Å; R684-D692 IonicContact CZ-OD2 3.77Å; R684-D692 PolarHBondContact N-O 2.88Å; R684-D692 IonicContact NH1-OD1 3.65Å; R684-D692 IonicContact NH1-OD2 3.15Å; R684-D692 PolarHBondContact NH1-OD2 3.09Å; R684-A694 HydrophobicContact CG-CB 3.91Å
685	S	80.3	Confident	87.1	Confident	30 Å²	30	38.8 Å²	38.8	21%	0.21	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130.3	171.2	-174.5	0	0	0	0	110.7	N544 R689	N544-S685 WeakPolarHBondContact CB-O 3.49Å; S685-R689 CarbonylContact C-O 3.5Å; S685-R689 WeakPolarHBondContact CA-O 3.45Å; S685-R689 WeakPolarHBondContact CB-O 3.31Å; S685-R689 PolarHBondContact OG-O 3.18Å
686	E	69.1	Low	86.9	Confident	85 Å²	85	37.5 Å²	37.5	40%	0.397	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	119.3	178.1	-164.2	164.1	-159.7	0	0	107.3	R156 G688 R689	R156-E686 IonicContact NH2-OE2 4Å; R156-E686 PolarHBondContact NH2-OE2 2.87Å; E686-G688 VanDerWaalsContact C-N 3.27Å; E686-G688 PolarHBondContact O-N 3.13Å; E686-R689 PolarHBondContact N-O 2.83Å; E686-R689 VanDerWaalsContact N-O 3.1Å; E686-R689 WeakPolarHBondContact O-CB 3.19Å; E686-R689 PolarHBondContact O-N 2.95Å
687	C	71.3	Confident	86.7	Confident	51 Å²	51	38 Å²	38	35%	0.345	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	40.7	179.1	-55.8	0	0	0	0	114.5	C188 R689	C188-C687 WeakPolarHBondContact CA-SG 3.38Å; C188-C687 HydrophobicContact CB-CB 3.77Å; C188-C687 WeakPolarHBondContact CB-SG 3.4Å; C188-C687 WeakPolarHBondContact SG-CA 2.87Å; C188-C687 WeakPolarHBondContact SG-CB 3.34Å; C188-C687 CovalentContact SG-SG 2.04Å; C188-C687 PolarHBondContact SG-SG 3.42Å; C687-R689 VanDerWaalsContact C-N 3.26Å; C687-R689 PolarHBondContact O-N 2.94Å
688	G	70.4	Confident	86.6	Confident	73 Å²	73	37.7 Å²	37.7	75%	0.753	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.3	-1.2	-179.5	0	0	0	0	0	115.2	E686	E686-G688 VanDerWaalsContact C-N 3.27Å; E686-G688 PolarHBondContact O-N 3.13Å
689	R	75.8	Confident	86.5	Confident	97 Å²	97	45.6 Å²	45.6	37%	0.366	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	140.8	171	-66	-172.9	177.1	128.4	6.8	110.7	S191 S192 G195 S685 E686 C687 G691	S191-R689 PolarHBondContact O-NH1 2.84Å; S192-R689 PolarHBondContact O-NH1 3.47Å; S192-R689 PolarHBondContact O-NH2 3.24Å; G195-R689 VanDerWaalsContact CA-CZ 3.45Å; G195-R689 VanDerWaalsContact CA-NH1 3.3Å; S685-R689 CarbonylContact C-O 3.5Å; S685-R689 WeakPolarHBondContact CA-O 3.45Å; S685-R689 WeakPolarHBondContact CB-O 3.31Å; S685-R689 PolarHBondContact OG-O 3.18Å; E686-R689 PolarHBondContact N-O 2.83Å; E686-R689 VanDerWaalsContact N-O 3.1Å; E686-R689 WeakPolarHBondContact O-CB 3.19Å; E686-R689 PolarHBondContact O-N 2.95Å; C687-R689 VanDerWaalsContact C-N 3.26Å; C687-R689 PolarHBondContact O-N 2.94Å; R689-G691 PolarHBondContact O-N 3.31Å
690	V	81	Confident	86.4	Confident	85 Å²	85	49.7 Å²	49.7	52%	0.515	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	119.6	170.4	-177.4	0	0	0	0	108.1	W683	W683-V690 HydrophobicContact CB-CG1 3.95Å; W683-V690 HydrophobicContact CD2-CG1 3.62Å; W683-V690 HydrophobicContact CE3-CG1 3.5Å; W683-V690 VanDerWaalsContact CE3-CG1 3.5Å; W683-V690 HydrophobicContact CG-CG1 3.84Å; W683-V690 HydrophobicContact CZ3-CG1 4.21Å
691	G	84.8	Confident	86.4	Confident	4 Å²	4	48.9 Å²	48.9	4%	0.041	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-142.3	-175.2	0	0	0	0	0	113.6	A93 W683 R684 R689	A93-G691 CarbonylContact O-C 3.46Å; A93-G691 VanDerWaalsContact O-CA 3.27Å; A93-G691 WeakPolarHBondContact O-CA 3.46Å; W683-G691 VanDerWaalsContact CE3-O 3.27Å; W683-G691 VanDerWaalsContact CZ3-O 3.29Å; W683-G691 WeakPolarHBondContact CZ3-O 3.19Å; R684-G691 VanDerWaalsContact O-CA 3.26Å; R684-G691 WeakPolarHBondContact O-CA 3.36Å; R684-G691 PolarHBondContact O-N 2.65Å; R689-G691 PolarHBondContact O-N 3.31Å
692	D	88.3	Confident	86.5	Confident	9 Å²	9	44 Å²	44	5%	0.048	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	157.4	170.4	60	-56.1	0	0	0	112.2	E89 R684 A694	E89-D692 HydrophobicContact CB-CB 4.31Å; R684-D692 VanDerWaalsContact CD-OD1 3.27Å; R684-D692 WeakPolarHBondContact CD-OD1 3.09Å; R684-D692 IonicContact CZ-OD2 3.77Å; R684-D692 PolarHBondContact N-O 2.88Å; R684-D692 IonicContact NH1-OD1 3.65Å; R684-D692 IonicContact NH1-OD2 3.15Å; R684-D692 PolarHBondContact NH1-OD2 3.09Å; D692-A694 PolarHBondContact O-N 2.97Å
693	C	91.7	Very high	86.8	Confident	18 Å²	18	47.6 Å²	47.6	12%	0.122	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	111.8	171.8	-174.5	0	0	0	0	110	C680 W683 F695 V696	C680-C693 WeakPolarHBondContact CA-SG 3.14Å; C680-C693 HydrophobicContact CB-CB 3.86Å; C680-C693 WeakPolarHBondContact CB-SG 3.37Å; C680-C693 VanDerWaalsContact SG-CA 3.55Å; C680-C693 WeakPolarHBondContact SG-CB 3.06Å; C680-C693 CovalentContact SG-SG 2.02Å; C680-C693 PolarHBondContact SG-SG 3.22Å; W683-C693 HydrophobicContact CE3-CB 4.26Å; W683-C693 HydrophobicContact CH2-CB 4.37Å; W683-C693 HydrophobicContact CZ3-CB 4.15Å; C693-F695 PolarHBondContact SG-O 3.2Å; C693-F695 VanDerWaalsContact SG-O 3.4Å; C693-V696 HydrophobicContact CB-CG2 4.36Å; C693-V696 WeakPolarHBondContact SG-CG2 3.24Å
694	A	89.4	Confident	87	Confident	17 Å²	17	48.2 Å²	48.2	14%	0.14	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-38.7	-179.6	0	0	0	0	0	111.9	W546 F682 R684 D692	W546-A694 HydrophobicContact CB-CB 3.85Å; W546-A694 HydrophobicContact CD2-CB 3.66Å; W546-A694 HydrophobicContact CE3-CB 4.19Å; W546-A694 HydrophobicContact CG-CB 3.47Å; W546-A694 VanDerWaalsContact CG-CB 3.47Å; F682-A694 HydrophobicContact CD1-CB 3.72Å; F682-A694 HydrophobicContact CE1-CB 4.34Å; F682-A694 PolarHBondContact O-N 3.17Å; R684-A694 HydrophobicContact CG-CB 3.91Å; D692-A694 PolarHBondContact O-N 2.97Å
695	F	91.4	Very high	87.5	Confident	1 Å²	1	46.5 Å²	46.5	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	121.4	178.4	-179.3	-107.4	0	0	0	112.1	N511 P512 I514 L517 T518 W546 R681 F682 C693	N511-F695 HydrophobicContact CB-CZ 4.49Å; P512-F695 HydrophobicContact CG-CE2 3.88Å; I514-F695 HydrophobicContact CD1-CD1 4.25Å; I514-F695 HydrophobicContact CD1-CD2 3.4Å; I514-F695 VanDerWaalsContact CD1-CD2 3.4Å; I514-F695 HydrophobicContact CD1-CE1 4.09Å; I514-F695 HydrophobicContact CD1-CE2 3.2Å; I514-F695 HydrophobicContact CD1-CG 3.96Å; I514-F695 HydrophobicContact CD1-CZ 3.59Å; L517-F695 HydrophobicContact CD1-CD1 4Å; L517-F695 HydrophobicContact CD1-CG 4.47Å; T518-F695 HydrophobicContact CG2-CE1 4.05Å; T518-F695 HydrophobicContact CG2-CZ 3.97Å; W546-F695 HydrophobicContact CH2-CB 3.62Å; W546-F695 HydrophobicContact CH2-CD2 4.32Å; W546-F695 HydrophobicContact CH2-CG 4.08Å; W546-F695 HydrophobicContact CZ2-CB 3.95Å; W546-F695 HydrophobicContact CZ2-CD2 4.49Å; W546-F695 HydrophobicContact CZ3-CB 4.06Å; R681-F695 HydrophobicContact CB-CD1 3.77Å; R681-F695 HydrophobicContact CB-CE1 4.22Å; R681-F695 HydrophobicContact CG-CD1 4.4Å; R681-F695 HydrophobicContact CG-CE1 4.39Å; R681-F695 PolarHBondContact N-O 3.11Å; F682-F695 HydrophobicContact CB-CB 3.91Å; F682-F695 PolarHBondContact N-O 2.79Å; F682-F695 VanDerWaalsContact N-O 3.13Å; F682-F695 PolarHBondContact O-N 2.94Å; C693-F695 PolarHBondContact SG-O 3.2Å; C693-F695 VanDerWaalsContact SG-O 3.4Å
696	V	92.6	Very high	88.3	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	136.5	175.5	177.5	0	0	0	0	109.8	M444 A679 C693 V698 L701	M444-V696 HydrophobicContact CE-CG2 4.2Å; M444-V696 HydrophobicContact SD-CG2 3.66Å; A679-V696 HydrophobicContact CB-CG1 3.85Å; C693-V696 HydrophobicContact CB-CG2 4.36Å; C693-V696 WeakPolarHBondContact SG-CG2 3.24Å; V696-V698 PolarHBondContact O-N 3.03Å; V696-L701 HydrophobicContact CG1-CB 3.84Å; V696-L701 HydrophobicContact CG1-CD1 4.18Å; V696-L701 HydrophobicContact CG1-CD2 4Å; V696-L701 HydrophobicContact CG1-CG 4.22Å
697	D	93.7	Very high	89.6	Confident	13 Å²	13	42.2 Å²	42.2	7%	0.07	22%	0.224	C	C	.	.			trans	-80.5	110.1	171.1	-169.8	-34.4	0	0	0	109.5	N511 A679 R681 R699 Y700 L701	N511-D697 PolarHBondContact ND2-OD1 3Å; A679-D697 PolarHBondContact O-N 3.2Å; A679-D697 VanDerWaalsContact O-N 3.11Å; R681-D697 HydrophobicContact CG-CB 3.58Å; R681-D697 IonicContact CZ-OD2 2.87Å; R681-D697 IonicContact NE-OD2 2.58Å; R681-D697 PolarHBondContact NE-OD2 3.22Å; R681-D697 VanDerWaalsContact NE-OD2 3.12Å; R681-D697 IonicContact NH2-OD2 3.78Å; R681-D697 PolarHBondContact NH2-OD2 3.46Å; D697-R699 PolarHBondContact O-N 3.07Å; D697-R699 WeakPolarHBondContact OD1-CB 3.24Å; D697-R699 PolarHBondContact OD1-N 2.98Å; D697-Y700 HydrophobicContact CB-CD2 3.84Å; D697-Y700 PolarHBondContact O-N 2.83Å; D697-Y700 VanDerWaalsContact O-N 3.15Å; D697-Y700 VanDerWaalsContact OD2-CD2 3.22Å; D697-Y700 WeakPolarHBondContact OD2-CD2 3.3Å; D697-Y700 VanDerWaalsContact OD2-CE2 3.3Å; D697-Y700 WeakPolarHBondContact OD2-CE2 3.39Å; D697-L701 PolarHBondContact O-N 3.31Å
698	V	93	Very high	90.8	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.018	22%	0.216	C	C	.	.	H	α-helix	trans	-59.9	-33.6	-173.2	-178.9	0	0	0	0	111.2	C509 N511 V696 L701 N702	C509-V698 WeakPolarHBondContact O-CG1 3.36Å; N511-V698 PolarHBondContact OD1-N 3.26Å; V696-V698 PolarHBondContact O-N 3.03Å; V698-L701 PolarHBondContact O-N 2.83Å; V698-N702 WeakPolarHBondContact O-CB 3.35Å; V698-N702 VanDerWaalsContact O-CG 3.3Å; V698-N702 PolarHBondContact O-N 2.8Å; V698-N702 PolarHBondContact O-OD1 3.12Å
699	R	92.8	Very high	92.1	Very high	202 Å²	202	38 Å²	38	76%	0.762	18%	0.18	S	C	*	.	H	α-helix	trans	-65.7	-44.5	179.1	-175.4	175.8	176.7	170.5	-0.6	111.7	D697 L703	D697-R699 PolarHBondContact O-N 3.07Å; D697-R699 WeakPolarHBondContact OD1-CB 3.24Å; D697-R699 PolarHBondContact OD1-N 2.98Å; R699-L703 VanDerWaalsContact O-CB 3.24Å; R699-L703 WeakPolarHBondContact O-CB 3.26Å; R699-L703 PolarHBondContact O-N 3.11Å; R699-L703 VanDerWaalsContact O-N 3.07Å
700	Y	94.6	Very high	93.1	Very high	90 Å²	90	35 Å²	35	35%	0.353	17%	0.172	S	C	.	.	H	α-helix	trans	-72.2	-37.5	176.7	-70.1	-84	0	0	0	111.4	D697 N702 L703 Y704	D697-Y700 HydrophobicContact CB-CD2 3.84Å; D697-Y700 PolarHBondContact O-N 2.83Å; D697-Y700 VanDerWaalsContact O-N 3.15Å; D697-Y700 VanDerWaalsContact OD2-CD2 3.22Å; D697-Y700 WeakPolarHBondContact OD2-CD2 3.3Å; D697-Y700 VanDerWaalsContact OD2-CE2 3.3Å; D697-Y700 WeakPolarHBondContact OD2-CE2 3.39Å; Y700-N702 PolarHBondContact O-N 2.99Å; Y700-L703 PolarHBondContact O-N 3.04Å; Y700-Y704 HydrophobicContact CD1-CE1 4.17Å; Y700-Y704 HydrophobicContact CD1-CE2 4.26Å; Y700-Y704 AromaticContact CD1-CZ 3.68Å; Y700-Y704 WeakPolarHBondContact CD1-OH 3.38Å; Y700-Y704 HydrophobicContact CG-CE2 4.49Å; Y700-Y704 WeakPolarHBondContact O-CB 3.02Å; Y700-Y704 WeakPolarHBondContact O-CD2 3.31Å; Y700-Y704 PolarHBondContact O-N 3.46Å
701	L	95.3	Very high	93.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-56	-52.3	175.3	-177.3	66.8	0	0	0	111.2	Y441 M444 I676 A679 V696 D697 V698 Y704 I705	Y441-L701 HydrophobicContact CD2-CD2 3.93Å; Y441-L701 HydrophobicContact CD2-CG 4.1Å; Y441-L701 HydrophobicContact CE2-CD2 4.12Å; Y441-L701 HydrophobicContact CE2-CG 4.11Å; M444-L701 HydrophobicContact CE-CD1 4.41Å; M444-L701 HydrophobicContact CE-CD2 4.18Å; I676-L701 HydrophobicContact CB-CD1 4.49Å; I676-L701 HydrophobicContact CG1-CD1 4.13Å; I676-L701 HydrophobicContact CG2-CD1 4.35Å; A679-L701 HydrophobicContact CB-CB 3.9Å; A679-L701 HydrophobicContact CB-CD1 4.18Å; V696-L701 HydrophobicContact CG1-CB 3.84Å; V696-L701 HydrophobicContact CG1-CD1 4.18Å; V696-L701 HydrophobicContact CG1-CD2 4Å; V696-L701 HydrophobicContact CG1-CG 4.22Å; D697-L701 PolarHBondContact O-N 3.31Å; V698-L701 PolarHBondContact O-N 2.83Å; L701-Y704 PolarHBondContact O-N 3.09Å; L701-I705 HydrophobicContact CD1-CD1 3.57Å; L701-I705 HydrophobicContact CD1-CG1 4.38Å; L701-I705 HydrophobicContact CG-CD1 4.02Å; L701-I705 WeakPolarHBondContact O-CB 3.46Å; L701-I705 WeakPolarHBondContact O-CG1 3.15Å; L701-I705 PolarHBondContact O-N 3.3Å
702	N	94.8	Very high	94.4	Very high	8 Å²	8	36.7 Å²	36.7	4%	0.043	18%	0.181	C	C	.	.	H	α-helix	trans	-64.9	-42.4	179.6	-70	8	0	0	0	111.5	Y441 G508 V698 Y700 T706	Y441-N702 PolarHBondContact OH-OD1 2.7Å; G508-N702 VanDerWaalsContact CA-ND2 3.26Å; G508-N702 WeakPolarHBondContact CA-ND2 3.4Å; V698-N702 WeakPolarHBondContact O-CB 3.35Å; V698-N702 VanDerWaalsContact O-CG 3.3Å; V698-N702 PolarHBondContact O-N 2.8Å; V698-N702 PolarHBondContact O-OD1 3.12Å; Y700-N702 PolarHBondContact O-N 2.99Å; N702-T706 WeakPolarHBondContact O-CB 3.43Å; N702-T706 PolarHBondContact O-N 2.75Å; N702-T706 PolarHBondContact O-OG1 3.26Å
703	L	95.5	Very high	94.8	Very high	83 Å²	83	36.7 Å²	36.7	44%	0.435	18%	0.18	S	C	.	.	H	α-helix	trans	-59.7	-47.6	177.4	179.7	66.8	0	0	0	111.7	F505 R699 Y700 G707	F505-L703 HydrophobicContact CD1-CD1 4.09Å; F505-L703 HydrophobicContact CE1-CD1 3.77Å; R699-L703 VanDerWaalsContact O-CB 3.24Å; R699-L703 WeakPolarHBondContact O-CB 3.26Å; R699-L703 PolarHBondContact O-N 3.11Å; R699-L703 VanDerWaalsContact O-N 3.07Å; Y700-L703 PolarHBondContact O-N 3.04Å; L703-G707 WeakPolarHBondContact O-CA 2.77Å; L703-G707 PolarHBondContact O-N 3.03Å
704	Y	96.7	Very high	94.9	Very high	94 Å²	94	37.3 Å²	37.3	37%	0.369	19%	0.19	S	C	.	.	H	α-helix	trans	-74.5	-42.3	-175.2	-59.8	-24.8	0	0	0	112.6	A679 Y700 L701 L708	A679-Y704 HydrophobicContact CB-CD2 4.13Å; A679-Y704 HydrophobicContact CB-CE2 4.43Å; Y700-Y704 HydrophobicContact CD1-CE1 4.17Å; Y700-Y704 HydrophobicContact CD1-CE2 4.26Å; Y700-Y704 AromaticContact CD1-CZ 3.68Å; Y700-Y704 WeakPolarHBondContact CD1-OH 3.38Å; Y700-Y704 HydrophobicContact CG-CE2 4.49Å; Y700-Y704 WeakPolarHBondContact O-CB 3.02Å; Y700-Y704 WeakPolarHBondContact O-CD2 3.31Å; Y700-Y704 PolarHBondContact O-N 3.46Å; L701-Y704 PolarHBondContact O-N 3.09Å; Y704-L708 VanDerWaalsContact O-CB 3.32Å; Y704-L708 WeakPolarHBondContact O-CB 3.31Å; Y704-L708 PolarHBondContact O-N 3.46Å
705	I	96	Very high	95.2	Very high	10 Å²	10	38.8 Å²	38.8	5%	0.051	20%	0.2	C	C	.	.	H	α-helix	trans	-68.2	-48.2	178.3	-71.4	174.7	0	0	0	110.9	F434 Y441 Y672 V675 I676 L701 L708 G709	F434-I705 HydrophobicContact CD2-CG2 4.01Å; F434-I705 HydrophobicContact CE2-CG2 3.98Å; Y441-I705 HydrophobicContact CD2-CD1 3.46Å; Y441-I705 VanDerWaalsContact CD2-CD1 3.46Å; Y441-I705 HydrophobicContact CE2-CD1 3.85Å; Y672-I705 HydrophobicContact CE1-CG2 4.19Å; V675-I705 HydrophobicContact CG1-CG1 3.77Å; I676-I705 HydrophobicContact CG1-CD1 4.08Å; L701-I705 HydrophobicContact CD1-CD1 3.57Å; L701-I705 HydrophobicContact CD1-CG1 4.38Å; L701-I705 HydrophobicContact CG-CD1 4.02Å; L701-I705 WeakPolarHBondContact O-CB 3.46Å; L701-I705 WeakPolarHBondContact O-CG1 3.15Å; L701-I705 PolarHBondContact O-N 3.3Å; I705-L708 PolarHBondContact O-N 3.44Å; I705-G709 PolarHBondContact O-N 2.73Å
706	T	95.9	Very high	95.4	Very high	4 Å²	4	38.8 Å²	38.8	3%	0.025	20%	0.199	C	C	.	.	H	α-helix	trans	-66	-42.5	178.6	-53.6	0	0	0	0	110.3	M501 F504 F505 N702 L708 G709 L710	M501-T706 WeakPolarHBondContact O-CG2 3.37Å; F504-T706 HydrophobicContact CB-CG2 3.99Å; F505-T706 HydrophobicContact CD1-CG2 4.02Å; F505-T706 HydrophobicContact CD2-CG2 4.02Å; F505-T706 HydrophobicContact CE1-CG2 3.79Å; F505-T706 HydrophobicContact CE2-CG2 3.85Å; F505-T706 HydrophobicContact CG-CG2 4.12Å; F505-T706 HydrophobicContact CZ-CG2 3.72Å; N702-T706 WeakPolarHBondContact O-CB 3.43Å; N702-T706 PolarHBondContact O-N 2.75Å; N702-T706 PolarHBondContact O-OG1 3.26Å; T706-L708 PolarHBondContact O-N 2.91Å; T706-G709 PolarHBondContact O-N 2.92Å; T706-L710 HydrophobicContact CG2-CD1 4.43Å; T706-L710 HydrophobicContact CG2-CG 4.42Å; T706-L710 WeakPolarHBondContact O-CG 3.12Å; T706-L710 PolarHBondContact O-N 3.45Å
707	G	96.8	Very high	95.6	Very high	22 Å²	22	39.3 Å²	39.3	23%	0.227	20%	0.202	C	C	.	.	H	α-helix	trans	-57.9	-47.7	175.7	0	0	0	0	0	112.7	L703 G709 L710 V711	L703-G707 WeakPolarHBondContact O-CA 2.77Å; L703-G707 PolarHBondContact O-N 3.03Å; G707-G709 VanDerWaalsContact C-N 3.34Å; G707-G709 PolarHBondContact O-N 3.43Å; G707-L710 PolarHBondContact O-N 2.95Å; G707-V711 WeakPolarHBondContact O-CG2 3.49Å; G707-V711 PolarHBondContact O-N 3.08Å
708	L	97.5	Very high	95.7	Very high	34 Å²	34	44 Å²	44	18%	0.178	22%	0.222	C	C	.	.	H	α-helix	trans	-58.2	-47.1	173.7	176.8	66.5	0	0	0	111.2	V671 Y672 V675 Y704 I705 T706 L710 V711 V712	V671-L708 HydrophobicContact CG1-CD1 4.05Å; V671-L708 HydrophobicContact CG1-CD2 3.7Å; Y672-L708 HydrophobicContact CD2-CD2 3.86Å; Y672-L708 HydrophobicContact CE1-CD2 4.3Å; Y672-L708 HydrophobicContact CE2-CD2 3.62Å; Y672-L708 HydrophobicContact CG-CD2 4.31Å; V675-L708 HydrophobicContact CG2-CD2 4.17Å; Y704-L708 VanDerWaalsContact O-CB 3.32Å; Y704-L708 WeakPolarHBondContact O-CB 3.31Å; Y704-L708 PolarHBondContact O-N 3.46Å; I705-L708 PolarHBondContact O-N 3.44Å; T706-L708 PolarHBondContact O-N 2.91Å; L708-L710 VanDerWaalsContact C-N 3.33Å; L708-L710 PolarHBondContact O-N 3.09Å; L708-V711 PolarHBondContact O-N 3.25Å; L708-V712 HydrophobicContact CD1-CG2 4.11Å; L708-V712 HydrophobicContact CG-CG2 4.47Å; L708-V712 WeakPolarHBondContact O-CG2 3.05Å; L708-V712 PolarHBondContact O-N 3.36Å
709	G	96.5	Very high	95.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.8	-42.8	177.9	0	0	0	0	0	112.9	I430 I705 T706 G707 K713	I430-G709 WeakPolarHBondContact CD1-O 3.33Å; I705-G709 PolarHBondContact O-N 2.73Å; T706-G709 PolarHBondContact O-N 2.92Å; G707-G709 VanDerWaalsContact C-N 3.34Å; G707-G709 PolarHBondContact O-N 3.43Å; G709-K713 VanDerWaalsContact O-CB 3.32Å; G709-K713 WeakPolarHBondContact O-CB 3.39Å; G709-K713 WeakPolarHBondContact O-CG 3.1Å; G709-K713 PolarHBondContact O-N 3.06Å
710	L	96.3	Very high	96.1	Very high	35 Å²	35	36.8 Å²	36.8	18%	0.183	20%	0.196	C	C	.	.	H	α-helix	trans	-67.9	-40.5	177.4	-68.8	-178.2	0	0	0	112.7	L498 M501 F505 T706 G707 L708 G714	L498-L710 HydrophobicContact CD1-CD2 3.46Å; L498-L710 VanDerWaalsContact CD1-CD2 3.46Å; L498-L710 HydrophobicContact CG-CD2 4.24Å; M501-L710 HydrophobicContact CB-CD2 3.92Å; F505-L710 HydrophobicContact CD2-CD1 4.44Å; F505-L710 HydrophobicContact CE2-CD1 3.31Å; F505-L710 HydrophobicContact CZ-CD1 3.63Å; T706-L710 HydrophobicContact CG2-CD1 4.43Å; T706-L710 HydrophobicContact CG2-CG 4.42Å; T706-L710 WeakPolarHBondContact O-CG 3.12Å; T706-L710 PolarHBondContact O-N 3.45Å; G707-L710 PolarHBondContact O-N 2.95Å; L708-L710 VanDerWaalsContact C-N 3.33Å; L708-L710 PolarHBondContact O-N 3.09Å; L710-G714 PolarHBondContact O-N 3.41Å
711	V	96.9	Very high	96.1	Very high	106 Å²	106	37.8 Å²	37.8	64%	0.642	20%	0.203	S	C	*	.	H	α-helix	trans	-62.1	-47.4	175.7	170.9	0	0	0	0	110.4	G707 L708 G714 S715	G707-V711 WeakPolarHBondContact O-CG2 3.49Å; G707-V711 PolarHBondContact O-N 3.08Å; L708-V711 PolarHBondContact O-N 3.25Å; V711-G714 PolarHBondContact O-N 3.09Å; V711-S715 PolarHBondContact O-N 2.05Å
712	V	97.3	Very high	96.2	Very high	18 Å²	18	41.8 Å²	41.8	11%	0.109	22%	0.22	C	C	.	.	H	α-helix	trans	-66.5	-44.3	179.5	178.2	0	0	0	0	110.8	S426 F429 I430 L708 G714 S715 G716	S426-V712 WeakPolarHBondContact O-CG1 3.03Å; F429-V712 HydrophobicContact CB-CG1 4.3Å; F429-V712 HydrophobicContact CD1-CG1 4.12Å; F429-V712 HydrophobicContact CD1-CG2 3.96Å; F429-V712 HydrophobicContact CE1-CG2 4.07Å; F429-V712 HydrophobicContact CG-CG1 4.45Å; I430-V712 HydrophobicContact CD1-CB 3.9Å; I430-V712 HydrophobicContact CD1-CG1 3.82Å; I430-V712 HydrophobicContact CG1-CB 3.92Å; I430-V712 HydrophobicContact CG1-CG1 3.66Å; L708-V712 HydrophobicContact CD1-CG2 4.11Å; L708-V712 HydrophobicContact CG-CG2 4.47Å; L708-V712 WeakPolarHBondContact O-CG2 3.05Å; L708-V712 PolarHBondContact O-N 3.36Å; V712-G714 PolarHBondContact O-N 3.27Å; V712-S715 PolarHBondContact O-N 3.45Å; V712-S715 PolarHBondContact O-OG 2.85Å; V712-G716 PolarHBondContact O-N 3.13Å
713	K	95.4	Very high	96.2	Very high	9 Å²	9	41.4 Å²	41.4	4%	0.039	22%	0.218	C	C	.	.	H	α-helix	trans	-62.7	-40.4	174.6	-83.9	-56.4	-174.8	162.6	0	113	E427 I430 N494 L498 G709 S715 G716 L717	E427-K713 IonicContact OE1-NZ 3.22Å; E427-K713 PolarHBondContact OE1-NZ 3.45Å; E427-K713 IonicContact OE2-NZ 3.64Å; E427-K713 PolarHBondContact OE2-NZ 3.23Å; I430-K713 HydrophobicContact CD1-CB 4.33Å; I430-K713 HydrophobicContact CD1-CD 3.8Å; I430-K713 HydrophobicContact CD1-CG 3.47Å; I430-K713 VanDerWaalsContact CD1-CG 3.47Å; N494-K713 PolarHBondContact OD1-NZ 3.02Å; L498-K713 HydrophobicContact CD1-CB 3.77Å; G709-K713 VanDerWaalsContact O-CB 3.32Å; G709-K713 WeakPolarHBondContact O-CB 3.39Å; G709-K713 WeakPolarHBondContact O-CG 3.1Å; G709-K713 PolarHBondContact O-N 3.06Å; K713-S715 VanDerWaalsContact C-N 3.34Å; K713-G716 CarbonylContact O-C 3.17Å; K713-G716 WeakPolarHBondContact O-CA 3.07Å; K713-G716 PolarHBondContact O-N 3.3Å; K713-G716 VanDerWaalsContact O-N 3.14Å; K713-L717 PolarHBondContact O-N 3.09Å
714	G	95.6	Very high	96.3	Very high	32 Å²	32	38.5 Å²	38.5	33%	0.33	20%	0.203	S	C	.	.	H	α-helix	trans	-60	-44.5	175.3	0	0	0	0	0	111.7	L710 V711 V712 G716 L717 F718	L710-G714 PolarHBondContact O-N 3.41Å; V711-G714 PolarHBondContact O-N 3.09Å; V712-G714 PolarHBondContact O-N 3.27Å; G714-G716 VanDerWaalsContact C-N 3.32Å; G714-G716 PolarHBondContact O-N 2.02Å; G714-L717 PolarHBondContact O-N 3.47Å; G714-F718 PolarHBondContact O-N 3.3Å; G714-F718 VanDerWaalsContact O-N 3.07Å
715	S	95.4	Very high	96.2	Very high	48 Å²	48	40.1 Å²	40.1	34%	0.336	21%	0.209	S	C	.	.	H	α-helix	trans	-63.7	-36.9	172.9	78.7	0	0	0	0	112.5	V711 V712 K713 F718 F719	V711-S715 PolarHBondContact O-N 2.05Å; V712-S715 PolarHBondContact O-N 3.45Å; V712-S715 PolarHBondContact O-OG 2.85Å; K713-S715 VanDerWaalsContact C-N 3.34Å; S715-F718 WeakPolarHBondContact O-CB 3.43Å; S715-F718 PolarHBondContact O-N 3.33Å; S715-F719 VanDerWaalsContact O-CD2 3.26Å; S715-F719 WeakPolarHBondContact O-CD2 3.22Å; S715-F719 WeakPolarHBondContact O-CG 3.3Å; S715-F719 PolarHBondContact O-N 2.99Å
716	G	95.8	Very high	96.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.1	-44.6	174.2	0	0	0	0	0	112.8	S426 V712 K713 G714 F718 F719 Y720	S426-G716 WeakPolarHBondContact OG-CA 3.33Å; V712-G716 PolarHBondContact O-N 3.13Å; K713-G716 CarbonylContact O-C 3.17Å; K713-G716 WeakPolarHBondContact O-CA 3.07Å; K713-G716 PolarHBondContact O-N 3.3Å; K713-G716 VanDerWaalsContact O-N 3.14Å; G714-G716 VanDerWaalsContact C-N 3.32Å; G714-G716 PolarHBondContact O-N 2.02Å; G716-F718 VanDerWaalsContact C-N 3.33Å; G716-F718 PolarHBondContact O-N 3.36Å; G716-F719 CarbonylContact O-C 3.51Å; G716-F719 WeakPolarHBondContact O-CA 3.31Å; G716-F719 WeakPolarHBondContact O-CB 3.46Å; G716-F719 PolarHBondContact O-N 3.29Å; G716-Y720 WeakPolarHBondContact O-CD2 3.4Å; G716-Y720 PolarHBondContact O-N 3.36Å
717	L	95.9	Very high	96	Very high	14 Å²	14	41.8 Å²	41.8	7%	0.073	22%	0.216	C	C	.	.	H	α-helix	trans	-59.4	-44.7	174.2	-78.5	174.5	0	0	0	111.4	L491 N494 L495 L498 K713 G714 F719 Y720 F721	L491-L717 HydrophobicContact CD2-CD2 3.93Å; N494-L717 HydrophobicContact CB-CD2 3.63Å; L495-L717 HydrophobicContact CD2-CD1 3.86Å; L495-L717 HydrophobicContact CD2-CD2 4.27Å; L495-L717 HydrophobicContact CG-CD2 4.35Å; L498-L717 HydrophobicContact CD2-CD1 3.74Å; K713-L717 PolarHBondContact O-N 3.09Å; G714-L717 PolarHBondContact O-N 3.47Å; L717-F719 PolarHBondContact O-N 3.24Å; L717-Y720 PolarHBondContact O-N 2.04Å; L717-Y720 VanDerWaalsContact O-N 3.14Å; L717-F721 HydrophobicContact CB-CE2 4.46Å; L717-F721 WeakPolarHBondContact O-CD2 3.4Å; L717-F721 PolarHBondContact O-N 3.45Å
718	F	96.1	Very high	95.8	Very high	112 Å²	112	45.6 Å²	45.6	49%	0.491	22%	0.224	S	C	.	.	H	α-helix	trans	-54.1	-45.3	172.3	176.5	-92.8	0	0	0	110.8	G714 S715 G716 Y720 F721 F722	G714-F718 PolarHBondContact O-N 3.3Å; G714-F718 VanDerWaalsContact O-N 3.07Å; S715-F718 WeakPolarHBondContact O-CB 3.43Å; S715-F718 PolarHBondContact O-N 3.33Å; G716-F718 VanDerWaalsContact C-N 3.33Å; G716-F718 PolarHBondContact O-N 3.36Å; F718-Y720 PolarHBondContact O-N 3.36Å; F718-F721 PolarHBondContact O-N 2.81Å; F718-F722 HydrophobicContact CD1-CD2 4.09Å; F718-F722 HydrophobicContact CD1-CE2 4.27Å; F718-F722 HydrophobicContact CD2-CD2 4.29Å; F718-F722 AromaticContact CD2-CE2 3.98Å; F718-F722 HydrophobicContact CD2-CE2 3.98Å; F718-F722 AromaticContact CE1-CD2 3.76Å; F718-F722 HydrophobicContact CE1-CD2 3.76Å; F718-F722 AromaticContact CE1-CE2 3.63Å; F718-F722 HydrophobicContact CE1-CE2 3.63Å; F718-F722 HydrophobicContact CE1-CZ 4.4Å; F718-F722 HydrophobicContact CE2-CD2 4.02Å; F718-F722 AromaticContact CE2-CE2 3.31Å; F718-F722 HydrophobicContact CE2-CE2 3.31Å; F718-F722 HydrophobicContact CE2-CZ 4.21Å; F718-F722 HydrophobicContact CG-CD2 4.34Å; F718-F722 HydrophobicContact CG-CE2 4.43Å; F718-F722 AromaticContact CZ-CD2 3.74Å; F718-F722 HydrophobicContact CZ-CD2 3.74Å; F718-F722 AromaticContact CZ-CE2 3.1Å; F718-F722 HydrophobicContact CZ-CE2 3.1Å; F718-F722 AromaticContact CZ-CZ 3.76Å; F718-F722 HydrophobicContact CZ-CZ 3.76Å; F718-F722 WeakPolarHBondContact O-CD2 3.01Å; F718-F722 PolarHBondContact O-N 3.49Å; F718-F722 VanDerWaalsContact O-N 3.12Å
719	F	96.9	Very high	95.4	Very high	52 Å²	52	51.7 Å²	51.7	23%	0.228	25%	0.245	C	C	.	.	H	α-helix	trans	-65	-39.2	176.9	-61.7	-38	0	0	0	114	M419 F422 S715 G716 L717 F721 F722 L723	M419-F719 HydrophobicContact CE-CB 3.55Å; M419-F719 HydrophobicContact CE-CD1 3.2Å; M419-F719 HydrophobicContact CE-CE1 4.17Å; M419-F719 HydrophobicContact CE-CG 3.74Å; M419-F719 WeakPolarHBondContact CE-O 3.42Å; F422-F719 HydrophobicContact CB-CD1 4.46Å; F422-F719 HydrophobicContact CB-CD2 3.83Å; F422-F719 HydrophobicContact CB-CE2 4.03Å; F422-F719 HydrophobicContact CB-CG 4.05Å; F422-F719 HydrophobicContact CB-CZ 4.39Å; S715-F719 VanDerWaalsContact O-CD2 3.26Å; S715-F719 WeakPolarHBondContact O-CD2 3.22Å; S715-F719 WeakPolarHBondContact O-CG 3.3Å; S715-F719 PolarHBondContact O-N 2.99Å; G716-F719 CarbonylContact O-C 3.51Å; G716-F719 WeakPolarHBondContact O-CA 3.31Å; G716-F719 WeakPolarHBondContact O-CB 3.46Å; G716-F719 PolarHBondContact O-N 3.29Å; L717-F719 PolarHBondContact O-N 3.24Å; F719-F721 VanDerWaalsContact C-N 3.35Å; F719-F721 PolarHBondContact O-N 3.12Å; F719-F722 PolarHBondContact O-N 2.82Å; F719-L723 WeakPolarHBondContact O-CB 3.5Å; F719-L723 PolarHBondContact O-N 2.86Å
720	Y	96.5	Very high	94.8	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	26%	0.259	C	S	.	.	H	α-helix	trans	-64.7	-36.6	174.8	-76.5	-68.8	0	0	0	112.7	C423 E427 V490 L491 N494 L636 G716 L717 F718 L723 L724	C423-Y720 HydrophobicContact CB-CD1 4.1Å; C423-Y720 HydrophobicContact CB-CE1 3.65Å; C423-Y720 HydrophobicContact CB-CE2 4.22Å; C423-Y720 VanDerWaalsContact SG-CD1 3.54Å; E427-Y720 PolarHBondContact OE1-OH 2.99Å; V490-Y720 HydrophobicContact CG1-CD1 3.88Å; V490-Y720 HydrophobicContact CG1-CE1 3.33Å; V490-Y720 HydrophobicContact CG1-CE2 4.35Å; L491-Y720 HydrophobicContact CD2-CG 4.27Å; N494-Y720 WeakPolarHBondContact ND2-CE2 3.43Å; L636-Y720 HydrophobicContact CD1-CE1 4.26Å; L636-Y720 HydrophobicContact CD2-CE1 4.18Å; G716-Y720 WeakPolarHBondContact O-CD2 3.4Å; G716-Y720 PolarHBondContact O-N 3.36Å; L717-Y720 PolarHBondContact O-N 2.04Å; L717-Y720 VanDerWaalsContact O-N 3.14Å; F718-Y720 PolarHBondContact O-N 3.36Å; Y720-L723 HydrophobicContact CD1-CD2 4.46Å; Y720-L723 PolarHBondContact O-N 3.39Å; Y720-L724 WeakPolarHBondContact O-CB 3.32Å; Y720-L724 PolarHBondContact O-N 3.48Å
721	F	96.1	Very high	93.8	Very high	112 Å²	112	57.4 Å²	57.4	49%	0.491	27%	0.271	S	S	.	.	H	α-helix	trans	-63.3	-43.9	174	-78.9	-65.2	0	0	0	111.8	L491 L717 F718 F719 L724 Y725	L491-F721 HydrophobicContact CD1-CD1 4.33Å; L491-F721 HydrophobicContact CD1-CE1 4.39Å; L491-F721 HydrophobicContact CD2-CD1 4.5Å; L491-F721 HydrophobicContact CD2-CD2 4.44Å; L491-F721 HydrophobicContact CD2-CE1 4.41Å; L491-F721 HydrophobicContact CD2-CE2 4.34Å; L491-F721 HydrophobicContact CD2-CZ 4.32Å; L717-F721 HydrophobicContact CB-CE2 4.46Å; L717-F721 WeakPolarHBondContact O-CD2 3.4Å; L717-F721 PolarHBondContact O-N 3.45Å; F718-F721 PolarHBondContact O-N 2.81Å; F719-F721 VanDerWaalsContact C-N 3.35Å; F719-F721 PolarHBondContact O-N 3.12Å; F721-L724 PolarHBondContact O-N 2.95Å; F721-Y725 WeakPolarHBondContact O-CB 3.27Å; F721-Y725 PolarHBondContact O-N 2.99Å
722	F	95.9	Very high	92.5	Very high	84 Å²	84	55.6 Å²	55.6	37%	0.368	26%	0.263	S	S	.	.	H	α-helix	trans	-65.8	-38.7	175.1	-91	-93.3	0	0	0	112.6	M419 F718 F719 L724 Y725 F726	M419-F722 HydrophobicContact CE-CB 3.44Å; M419-F722 VanDerWaalsContact CE-CB 3.44Å; M419-F722 HydrophobicContact CE-CG 4.22Å; M419-F722 HydrophobicContact CG-CB 4.23Å; M419-F722 HydrophobicContact SD-CB 3.93Å; F718-F722 HydrophobicContact CD1-CD2 4.09Å; F718-F722 HydrophobicContact CD1-CE2 4.27Å; F718-F722 HydrophobicContact CD2-CD2 4.29Å; F718-F722 AromaticContact CD2-CE2 3.98Å; F718-F722 HydrophobicContact CD2-CE2 3.98Å; F718-F722 AromaticContact CE1-CD2 3.76Å; F718-F722 HydrophobicContact CE1-CD2 3.76Å; F718-F722 AromaticContact CE1-CE2 3.63Å; F718-F722 HydrophobicContact CE1-CE2 3.63Å; F718-F722 HydrophobicContact CE1-CZ 4.4Å; F718-F722 HydrophobicContact CE2-CD2 4.02Å; F718-F722 AromaticContact CE2-CE2 3.31Å; F718-F722 HydrophobicContact CE2-CE2 3.31Å; F718-F722 HydrophobicContact CE2-CZ 4.21Å; F718-F722 HydrophobicContact CG-CD2 4.34Å; F718-F722 HydrophobicContact CG-CE2 4.43Å; F718-F722 AromaticContact CZ-CD2 3.74Å; F718-F722 HydrophobicContact CZ-CD2 3.74Å; F718-F722 AromaticContact CZ-CE2 3.1Å; F718-F722 HydrophobicContact CZ-CE2 3.1Å; F718-F722 AromaticContact CZ-CZ 3.76Å; F718-F722 HydrophobicContact CZ-CZ 3.76Å; F718-F722 WeakPolarHBondContact O-CD2 3.01Å; F718-F722 PolarHBondContact O-N 3.49Å; F718-F722 VanDerWaalsContact O-N 3.12Å; F719-F722 PolarHBondContact O-N 2.82Å; F722-L724 VanDerWaalsContact C-N 3.33Å; F722-L724 PolarHBondContact O-N 3.07Å; F722-Y725 WeakPolarHBondContact O-CB 3.27Å; F722-Y725 PolarHBondContact O-N 2.78Å; F722-F726 HydrophobicContact CB-CE2 4.49Å; F722-F726 HydrophobicContact CD1-CE2 4.24Å; F722-F726 HydrophobicContact CD1-CZ 4.42Å; F722-F726 WeakPolarHBondContact O-CD2 3.37Å; F722-F726 PolarHBondContact O-N 3.32Å
723	L	96.5	Very high	90.8	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-45.1	173.6	177.4	62.9	0	0	0	110.6	I416 M419 A420 I487 L636 F719 Y720 F726 L727	I416-L723 HydrophobicContact CG2-CD1 3.79Å; I416-L723 WeakPolarHBondContact O-CD1 3.32Å; M419-L723 HydrophobicContact CB-CB 4.2Å; M419-L723 HydrophobicContact CB-CD1 4.04Å; M419-L723 HydrophobicContact CG-CB 3.82Å; A420-L723 HydrophobicContact CB-CD1 4.47Å; A420-L723 HydrophobicContact CB-CD2 4.45Å; I487-L723 HydrophobicContact CD1-CD2 3.57Å; I487-L723 HydrophobicContact CD1-CG 4.39Å; I487-L723 HydrophobicContact CG1-CD2 4.06Å; I487-L723 HydrophobicContact CG1-CG 4.35Å; L636-L723 HydrophobicContact CD1-CD2 4.28Å; F719-L723 WeakPolarHBondContact O-CB 3.5Å; F719-L723 PolarHBondContact O-N 2.86Å; Y720-L723 HydrophobicContact CD1-CD2 4.46Å; Y720-L723 PolarHBondContact O-N 3.39Å; L723-F726 PolarHBondContact O-N 3.34Å; L723-L727 HydrophobicContact CG-CD1 4.34Å; L723-L727 VanDerWaalsContact O-CG 3.28Å; L723-L727 WeakPolarHBondContact O-CG 3.04Å; L723-L727 PolarHBondContact O-N 3.47Å
724	L	96	Very high	89.3	Confident	22 Å²	22	60.8 Å²	60.8	12%	0.115	30%	0.297	C	S	.	.	H	α-helix	trans	-61.8	-44.6	175	-175.4	62.1	0	0	0	111.4	I487 R488 L491 Y720 F721 F722 F726 L727 Y728	I487-L724 HydrophobicContact CB-CD1 4.39Å; I487-L724 HydrophobicContact CG2-CB 3.95Å; I487-L724 HydrophobicContact CG2-CD1 4.26Å; R488-L724 HydrophobicContact CG-CD1 4.32Å; R488-L724 HydrophobicContact CG-CD2 4.33Å; L491-L724 HydrophobicContact CD1-CB 4.46Å; L491-L724 HydrophobicContact CD1-CD2 3.84Å; Y720-L724 WeakPolarHBondContact O-CB 3.32Å; Y720-L724 PolarHBondContact O-N 3.48Å; F721-L724 PolarHBondContact O-N 2.95Å; F722-L724 VanDerWaalsContact C-N 3.33Å; F722-L724 PolarHBondContact O-N 3.07Å; L724-F726 PolarHBondContact O-N 3.26Å; L724-L727 WeakPolarHBondContact O-CB 3.4Å; L724-L727 PolarHBondContact O-N 3.04Å; L724-Y728 HydrophobicContact CD1-CD2 4.06Å; L724-Y728 HydrophobicContact CD1-CE2 3.76Å; L724-Y728 HydrophobicContact CD2-CE2 4.19Å; L724-Y728 HydrophobicContact CG-CD2 3.92Å; L724-Y728 HydrophobicContact CG-CE2 3.73Å; L724-Y728 VanDerWaalsContact O-CD2 3.23Å; L724-Y728 WeakPolarHBondContact O-CD2 3.28Å; L724-Y728 PolarHBondContact O-N 2.85Å
725	Y	95.3	Very high	87.8	Confident	127 Å²	127	63.5 Å²	63.5	50%	0.498	30%	0.304	S	S	.	.	H	α-helix	trans	-57.6	-48	176.5	171.8	-97	0	0	0	112.2	F721 F722 L727 Y728 R729	F721-Y725 WeakPolarHBondContact O-CB 3.27Å; F721-Y725 PolarHBondContact O-N 2.99Å; F722-Y725 WeakPolarHBondContact O-CB 3.27Å; F722-Y725 PolarHBondContact O-N 2.78Å; Y725-L727 VanDerWaalsContact C-N 3.34Å; Y725-L727 PolarHBondContact O-N 3.35Å; Y725-Y728 WeakPolarHBondContact O-CB 3.46Å; Y725-Y728 PolarHBondContact O-N 2.8Å; Y725-Y728 VanDerWaalsContact O-N 3.1Å; Y725-R729 PolarHBondContact O-N 3.2Å
726	F	94.3	Very high	85.9	Confident	45 Å²	45	64.6 Å²	64.6	20%	0.197	31%	0.309	C	S	.	.	H	α-helix	trans	-64	-38.4	177.1	-70.4	-50.7	0	0	0	112.2	K415 I416 M419 F722 L723 L724 Y728 R729 D730	K415-F726 HydrophobicContact CB-CD2 4.34Å; K415-F726 HydrophobicContact CB-CE2 4.44Å; K415-F726 HydrophobicContact CB-CG 4.4Å; K415-F726 HydrophobicContact CD-CD1 4.26Å; K415-F726 HydrophobicContact CD-CE1 3.91Å; K415-F726 HydrophobicContact CD-CZ 4.24Å; I416-F726 HydrophobicContact CG1-CB 4.21Å; M419-F726 HydrophobicContact SD-CE2 4.23Å; F722-F726 HydrophobicContact CB-CE2 4.49Å; F722-F726 HydrophobicContact CD1-CE2 4.24Å; F722-F726 HydrophobicContact CD1-CZ 4.42Å; F722-F726 WeakPolarHBondContact O-CD2 3.37Å; F722-F726 PolarHBondContact O-N 3.32Å; L723-F726 PolarHBondContact O-N 3.34Å; L724-F726 PolarHBondContact O-N 3.26Å; F726-Y728 VanDerWaalsContact C-N 3.26Å; F726-Y728 PolarHBondContact O-N 2.95Å; F726-R729 PolarHBondContact O-N 2.03Å; F726-D730 WeakPolarHBondContact O-CB 3.48Å; F726-D730 PolarHBondContact O-N 2.73Å
727	L	93.4	Very high	84.1	Confident	4 Å²	4	68.3 Å²	68.3	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-64.4	-29.7	173.3	-71.6	171.4	0	0	0	112.9	I416 R483 K484 I487 V639 L723 L724 Y725	I416-L727 HydrophobicContact CD1-CD2 4.01Å; I416-L727 HydrophobicContact CG1-CD2 4.44Å; I416-L727 HydrophobicContact CG2-CD2 4.02Å; R483-L727 HydrophobicContact CB-CD2 4.28Å; K484-L727 WeakPolarHBondContact CE-O 3.37Å; K484-L727 HydrophobicContact CG-CB 4.38Å; I487-L727 HydrophobicContact CB-CD1 4.38Å; I487-L727 HydrophobicContact CG1-CD1 3.65Å; V639-L727 HydrophobicContact CG1-CD1 4.32Å; L723-L727 HydrophobicContact CG-CD1 4.34Å; L723-L727 VanDerWaalsContact O-CG 3.28Å; L723-L727 WeakPolarHBondContact O-CG 3.04Å; L723-L727 PolarHBondContact O-N 3.47Å; L724-L727 WeakPolarHBondContact O-CB 3.4Å; L724-L727 PolarHBondContact O-N 3.04Å; Y725-L727 VanDerWaalsContact C-N 3.34Å; Y725-L727 PolarHBondContact O-N 3.35Å
728	Y	92.1	Very high	82.5	Confident	103 Å²	103	73.1 Å²	73.1	40%	0.404	35%	0.352	S	S	.	.	H	α-helix	trans	-68.8	-45.5	172.3	-90.8	-78.5	0	0	0	112.4	K484 R488 L724 Y725 F726 S732	K484-Y728 HydrophobicContact CD-CD1 4.36Å; K484-Y728 HydrophobicContact CD-CE1 4.37Å; R488-Y728 PolarHBondContact NH2-OH 2.91Å; L724-Y728 HydrophobicContact CD1-CD2 4.06Å; L724-Y728 HydrophobicContact CD1-CE2 3.76Å; L724-Y728 HydrophobicContact CD2-CE2 4.19Å; L724-Y728 HydrophobicContact CG-CD2 3.92Å; L724-Y728 HydrophobicContact CG-CE2 3.73Å; L724-Y728 VanDerWaalsContact O-CD2 3.23Å; L724-Y728 WeakPolarHBondContact O-CD2 3.28Å; L724-Y728 PolarHBondContact O-N 2.85Å; Y725-Y728 WeakPolarHBondContact O-CB 3.46Å; Y725-Y728 PolarHBondContact O-N 2.8Å; Y725-Y728 VanDerWaalsContact O-N 3.1Å; F726-Y728 VanDerWaalsContact C-N 3.26Å; F726-Y728 PolarHBondContact O-N 2.95Å; Y728-S732 PolarHBondContact O-N 3.45Å
729	R	90.2	Very high	81.1	Confident	162 Å²	162	72.2 Å²	72.2	61%	0.611	35%	0.352	S	S	*	.	H	α-helix	trans	-66.7	-38.9	-179	-172.4	175.6	171.4	136.7	1.6	112.7	Y725 F726 K731 S732 A733	Y725-R729 PolarHBondContact O-N 3.2Å; F726-R729 PolarHBondContact O-N 2.03Å; R729-K731 PolarHBondContact O-N 2.79Å; R729-S732 WeakPolarHBondContact O-CB 2.87Å; R729-S732 PolarHBondContact O-N 2.87Å; R729-S732 VanDerWaalsContact O-N 3.14Å; R729-A733 PolarHBondContact O-N 2.9Å
730	D	84.1	Confident	79.7	Confident	57 Å²	57	74.2 Å²	74.2	31%	0.305	37%	0.365	S	S	.	.	H	α-helix	trans	-53	-52.7	176.1	-166	51.5	0	0	0	111.2	I416 R483 F726 S732 A733 D734	I416-D730 HydrophobicContact CD1-CB 4.28Å; R483-D730 IonicContact CZ-OD2 2.72Å; R483-D730 IonicContact NH1-OD2 3.41Å; R483-D730 PolarHBondContact NH1-OD2 2.9Å; R483-D730 IonicContact NH2-OD2 2.64Å; F726-D730 WeakPolarHBondContact O-CB 3.48Å; F726-D730 PolarHBondContact O-N 2.73Å; D730-S732 VanDerWaalsContact C-N 3.33Å; D730-S732 PolarHBondContact O-N 2.72Å; D730-A733 WeakPolarHBondContact O-CB 3.11Å; D730-A733 PolarHBondContact O-N 3.28Å; D730-D734 PolarHBondContact O-N 3.16Å
731	K	73.9	Confident	78.4	Confident	98 Å²	98	79.1 Å²	79.1	43%	0.426	39%	0.391	S	S	.	.	H	α-helix	trans	-67	-31.8	178	-165.9	177.4	-176.4	-176.6	0	113.4	R729 A733 D734 N735	R729-K731 PolarHBondContact O-N 2.79Å; K731-A733 VanDerWaalsContact C-N 3.3Å; K731-D734 PolarHBondContact O-N 3.21Å; K731-N735 PolarHBondContact O-N 3.07Å
732	S	70.4	Confident	77	Confident	68 Å²	68	81.3 Å²	81.3	48%	0.476	40%	0.396	S	S	.	.	H	α-helix	trans	-66.9	-36.9	176.7	-165.7	0	0	0	0	111	Y728 R729 D730 N735 T736	Y728-S732 PolarHBondContact O-N 3.45Å; R729-S732 WeakPolarHBondContact O-CB 2.87Å; R729-S732 PolarHBondContact O-N 2.87Å; R729-S732 VanDerWaalsContact O-N 3.14Å; D730-S732 VanDerWaalsContact C-N 3.33Å; D730-S732 PolarHBondContact O-N 2.72Å; S732-N735 PolarHBondContact O-N 2.61Å; S732-T736 WeakPolarHBondContact O-CG2 3.43Å; S732-T736 PolarHBondContact O-N 3.41Å; S732-T736 PolarHBondContact O-OG1 2.8Å
733	A	60.8	Low	75.4	Confident	46 Å²	46	80.4 Å²	80.4	38%	0.38	40%	0.4	S	S	.	.	H	α-helix	trans	-63.9	-44.7	174.7	0	0	0	0	0	111.1	R729 D730 K731 N735 T736 T737	R729-A733 PolarHBondContact O-N 2.9Å; D730-A733 WeakPolarHBondContact O-CB 3.11Å; D730-A733 PolarHBondContact O-N 3.28Å; K731-A733 VanDerWaalsContact C-N 3.3Å; A733-N735 PolarHBondContact O-N 3.01Å; A733-T736 WeakPolarHBondContact CA-OG1 3.41Å; A733-T736 PolarHBondContact O-N 2.83Å; A733-T736 PolarHBondContact O-OG1 3.12Å; A733-T737 PolarHBondContact O-N 2.94Å; A733-T737 PolarHBondContact O-OG1 3Å
734	D	63.3	Low	73.8	Confident	89 Å²	89	86.4 Å²	86.4	48%	0.476	43%	0.432	S	S	.	.	H	α-helix	trans	-58.6	-47	174.9	-67.2	-22.5	0	0	0	111.8	D730 K731 T736 T737 F738	D730-D734 PolarHBondContact O-N 3.16Å; K731-D734 PolarHBondContact O-N 3.21Å; D734-T736 PolarHBondContact O-N 3.08Å; D734-T737 PolarHBondContact O-N 3.13Å; D734-F738 WeakPolarHBondContact O-CB 3.12Å; D734-F738 PolarHBondContact O-N 3.23Å
735	N	65.2	Low	72.2	Confident	90 Å²	90	89.1 Å²	89.1	48%	0.481	46%	0.458	S	S	.	.	H	α-helix	trans	-64	-40.4	178.5	-78.1	5.7	0	0	0	112.7	K731 S732 A733 N739	K731-N735 PolarHBondContact O-N 3.07Å; S732-N735 PolarHBondContact O-N 2.61Å; A733-N735 PolarHBondContact O-N 3.01Å; N735-N739 WeakPolarHBondContact O-CB 3.21Å; N735-N739 VanDerWaalsContact O-CG 3.31Å; N735-N739 PolarHBondContact O-N 3.28Å
736	T	56	Low	70.1	Confident	71 Å²	71	89.3 Å²	89.3	44%	0.436	47%	0.467	S	S	.	.	H	α-helix	trans	-67	-38.6	176.1	44.7	0	0	0	0	111.9	S732 A733 D734 N739 N740	S732-T736 WeakPolarHBondContact O-CG2 3.43Å; S732-T736 PolarHBondContact O-N 3.41Å; S732-T736 PolarHBondContact O-OG1 2.8Å; A733-T736 WeakPolarHBondContact CA-OG1 3.41Å; A733-T736 PolarHBondContact O-N 2.83Å; A733-T736 PolarHBondContact O-OG1 3.12Å; D734-T736 PolarHBondContact O-N 3.08Å; T736-N739 PolarHBondContact O-N 2.04Å; T736-N740 VanDerWaalsContact O-CB 3.32Å; T736-N740 WeakPolarHBondContact O-CB 3.45Å; T736-N740 PolarHBondContact O-N 2.77Å; T736-N740 PolarHBondContact O-OD1 2.95Å
737	T	57.7	Low	67.7	Low	77 Å²	77	94.2 Å²	94.2	47%	0.472	49%	0.491	S	S	.	.	H	α-helix	trans	-68.4	-40.2	178.4	-39.2	0	0	0	0	110.6	A733 D734 N740 N741	A733-T737 PolarHBondContact O-N 2.94Å; A733-T737 PolarHBondContact O-OG1 3Å; D734-T737 PolarHBondContact O-N 3.13Å; T737-N740 PolarHBondContact O-N 3.43Å; T737-N741 WeakPolarHBondContact O-CB 3.48Å; T737-N741 VanDerWaalsContact O-CG 3.28Å; T737-N741 PolarHBondContact O-N 2.89Å
738	F	61.8	Low	65.3	Low	116 Å²	116	99 Å²	99	51%	0.509	52%	0.522	S	S	.	.	H	α-helix	trans	-62.5	-44.3	173.6	-174.7	-96.8	0	0	0	112.6	D734 N741 R742	D734-F738 WeakPolarHBondContact O-CB 3.12Å; D734-F738 PolarHBondContact O-N 3.23Å; F738-N741 PolarHBondContact O-N 3.1Å; F738-R742 PolarHBondContact O-N 3.03Å
739	N	67.5	Low	62.9	Low	93 Å²	93	104.9 Å²	104.9	50%	0.497	54%	0.543	S	S	.	.	H	α-helix	trans	-69.3	-35.4	177.2	-73.9	-10.1	0	0	0	112.8	N735 T736 R742 S743	N735-N739 WeakPolarHBondContact O-CB 3.21Å; N735-N739 VanDerWaalsContact O-CG 3.31Å; N735-N739 PolarHBondContact O-N 3.28Å; T736-N739 PolarHBondContact O-N 2.04Å; N739-R742 PolarHBondContact O-N 3Å; N739-S743 PolarHBondContact O-N 2.98Å; N739-S743 PolarHBondContact O-OG 3.48Å
740	N	67.7	Low	60.3	Low	94 Å²	94	104.8 Å²	104.8	50%	0.503	56%	0.555	S	S	.	*	H	α-helix	trans	-66.3	-42	174.2	-74.1	-1.1	0	0	0	111.4	T736 T737 R742 S743 L744	T736-N740 VanDerWaalsContact O-CB 3.32Å; T736-N740 WeakPolarHBondContact O-CB 3.45Å; T736-N740 PolarHBondContact O-N 2.77Å; T736-N740 PolarHBondContact O-OD1 2.95Å; T737-N740 PolarHBondContact O-N 3.43Å; N740-R742 VanDerWaalsContact C-N 3.3Å; N740-R742 PolarHBondContact O-N 2.91Å; N740-S743 VanDerWaalsContact CA-OG 3.3Å; N740-S743 WeakPolarHBondContact CA-OG 3.28Å; N740-S743 PolarHBondContact O-N 3.1Å; N740-S743 PolarHBondContact O-OG 2.79Å; N740-L744 WeakPolarHBondContact O-CB 3.14Å; N740-L744 PolarHBondContact O-N 3.22Å
741	N	68.2	Low	58.1	Low	103 Å²	103	107.6 Å²	107.6	55%	0.551	57%	0.574	S	S	*	*	H	α-helix	trans	-64.7	-35.1	174.6	-71.6	-7.4	0	0	0	112	T737 F738 A745	T737-N741 WeakPolarHBondContact O-CB 3.48Å; T737-N741 VanDerWaalsContact O-CG 3.28Å; T737-N741 PolarHBondContact O-N 2.89Å; F738-N741 PolarHBondContact O-N 3.1Å; N741-A745 WeakPolarHBondContact O-CB 3.36Å; N741-A745 PolarHBondContact O-N 2.75Å; N741-A745 VanDerWaalsContact O-N 3.08Å
742	R	66.2	Low	56.2	Low	158 Å²	158	112.5 Å²	112.5	60%	0.596	60%	0.598	S	S	*	*	H	α-helix	trans	-67.5	-39.2	172.2	-100.7	-175.4	170.9	-178.5	-2.3	113.3	F738 N739 N740 A745 N746	F738-R742 PolarHBondContact O-N 3.03Å; N739-R742 PolarHBondContact O-N 3Å; N740-R742 VanDerWaalsContact C-N 3.3Å; N740-R742 PolarHBondContact O-N 2.91Å; R742-A745 PolarHBondContact O-N 2.78Å; R742-N746 WeakPolarHBondContact O-CB 2.94Å; R742-N746 VanDerWaalsContact O-CG 3.29Å; R742-N746 PolarHBondContact O-N 2.7Å; R742-N746 VanDerWaalsContact O-N 3.15Å
743	S	63.2	Low	54.3	Low	65 Å²	65	112.7 Å²	112.7	46%	0.455	61%	0.611	S	S	.	*	H	α-helix	trans	-71.7	-39.6	178.2	44.8	0	0	0	0	112.3	N739 N740 A745 N746 E747	N739-S743 PolarHBondContact O-N 2.98Å; N739-S743 PolarHBondContact O-OG 3.48Å; N740-S743 VanDerWaalsContact CA-OG 3.3Å; N740-S743 WeakPolarHBondContact CA-OG 3.28Å; N740-S743 PolarHBondContact O-N 3.1Å; N740-S743 PolarHBondContact O-OG 2.79Å; S743-A745 VanDerWaalsContact C-N 3.29Å; S743-A745 PolarHBondContact O-N 2.97Å; S743-N746 CarbonylContact O-C 3.57Å; S743-N746 PolarHBondContact O-N 3.24Å; S743-E747 PolarHBondContact O-N 2.88Å; S743-E747 VanDerWaalsContact O-N 3.15Å
744	L	61.9	Low	52.8	Low	127 Å²	127	119.9 Å²	119.9	67%	0.665	64%	0.637	S	S	*	*	H	α-helix	trans	-61.8	-34.1	170.4	-94	145.4	0	0	0	112.9	N740 N746	N740-L744 WeakPolarHBondContact O-CB 3.14Å; N740-L744 PolarHBondContact O-N 3.22Å; L744-N746 VanDerWaalsContact C-N 3.29Å
745	A	62.7	Low	51.2	Low	79 Å²	79	122.2 Å²	122.2	65%	0.653	65%	0.654	S	S	*	*	H	α-helix	trans	-72.6	-22.1	173.8	0	0	0	0	0	113.3	N741 R742 S743	N741-A745 WeakPolarHBondContact O-CB 3.36Å; N741-A745 PolarHBondContact O-N 2.75Å; N741-A745 VanDerWaalsContact O-N 3.08Å; R742-A745 PolarHBondContact O-N 2.78Å; S743-A745 VanDerWaalsContact C-N 3.29Å; S743-A745 PolarHBondContact O-N 2.97Å
746	N	52.1	Low	49.5	Very low	131 Å²	131	125.4 Å²	125.4	70%	0.701	67%	0.671	S	S	*	*	S	Bend	trans	-102.7	1.6	-175.6	-75.5	-3	0	0	0	114.1	R742 S743 L744	R742-N746 WeakPolarHBondContact O-CB 2.94Å; R742-N746 VanDerWaalsContact O-CG 3.29Å; R742-N746 PolarHBondContact O-N 2.7Å; R742-N746 VanDerWaalsContact O-N 3.15Å; S743-N746 CarbonylContact O-C 3.57Å; S743-N746 PolarHBondContact O-N 3.24Å; L744-N746 VanDerWaalsContact C-N 3.29Å
747	E	43.3	Very low	48.2	Very low	148 Å²	148	125.5 Å²	125.5	69%	0.692	69%	0.687	S	S	*	*	S	Bend	trans	-72.3	123.6	174.2	-159.6	166.5	-170.6	0	0	109.5	S743 R749	S743-E747 PolarHBondContact O-N 2.88Å; S743-E747 VanDerWaalsContact O-N 3.15Å; E747-R749 PolarHBondContact O-N 2.97Å; E747-R749 VanDerWaalsContact O-N 3.09Å
748	P	43.2	Very low	46.9	Very low	103 Å²	103	128 Å²	128	67%	0.669	70%	0.704	S	S	*	*			trans	-64.6	115.8	-172.9	24.2	-32	0	0	0	109.8	N750	P748-N750 PolarHBondContact O-N 3.29Å
749	R	42.5	Very low	45.3	Very low	227 Å²	227	132.2 Å²	132.2	86%	0.857	72%	0.722	S	S	*	*			trans	-59.3	106.4	160.5	-79	-177.6	174.9	170.1	-0.8	107	E747 V751	E747-R749 PolarHBondContact O-N 2.97Å; E747-R749 VanDerWaalsContact O-N 3.09Å; R749-V751 HydrophobicContact CB-CG2 3.79Å; R749-V751 PolarHBondContact O-N 3.13Å
750	N	34.6	Very low	43.8	Very low	160 Å²	160	133.7 Å²	133.7	86%	0.856	73%	0.734	S	S	*	*			trans	-62	91.1	162	-82.6	-30.2	0	0	0	107.6	P748 H752	P748-N750 PolarHBondContact O-N 3.29Å; N750-H752 PolarHBondContact O-N 2.94Å
751	V	38.3	Very low	42	Very low	117 Å²	117	134.8 Å²	134.8	71%	0.709	75%	0.746	S	S	*	*			trans	-95.2	78.1	174.2	-175.5	0	0	0	0	107.8	R749	R749-V751 HydrophobicContact CB-CG2 3.79Å; R749-V751 PolarHBondContact O-N 3.13Å
752	H	32.8	Very low	40.2	Very low	200 Å²	200	135.9 Å²	135.9	93%	0.926	76%	0.757	S	S	*	*			trans	-142.4	120.5	152.2	-86.3	-43.5	0	0	0	107.7	N750	N750-H752 PolarHBondContact O-N 2.94Å
753	G	30.6	Very low	38.6	Very low	73 Å²	73	134.5 Å²	134.5	75%	0.753	77%	0.766	S	S	*	*	S	Bend	trans	120.7	88.9	167.3	0	0	0	0	0	114.7
754	E	29.4	Very low	37	Very low	196 Å²	196	137.4 Å²	137.4	92%	0.916	78%	0.78	S	S	*	*			trans	60.4	129.7	145.7	-76.3	178	140.3	0	0	122.4	N756	E754-N756 PolarHBondContact O-N 2.77Å
755	V	29.9	Very low	35.5	Very low	139 Å²	139	136.1 Å²	136.1	84%	0.842	78%	0.778	S	S	*	*			trans	-56.1	107.5	170.3	177.2	0	0	0	0	110.4
756	N	30.1	Very low	33.9	Very low	156 Å²	156	137.3 Å²	137.3	83%	0.834	78%	0.781	S	S	*	*			trans	-153.1	113.3	144.8	-88.5	-38.4	0	0	0	107.8	E754	E754-N756 PolarHBondContact O-N 2.77Å
757	G	28.4	Very low	33	Very low	74 Å²	74	141.3 Å²	141.3	76%	0.763	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-59.7	131.9	-168.4	0	0	0	0	0	113.7
758	P	30.6	Very low	32.3	Very low	128 Å²	128	139.1 Å²	139.1	83%	0.831	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-83.2	128.8	172.9	31.1	-28.6	0	0	0	110.1
759	K	29.1	Very low	31.5	Very low	205 Å²	205	145.5 Å²	145.5	89%	0.891	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-53.5	133.1	175.8	-68.6	170.5	176.7	174.8	0	111.2
760	V	35.3	Very low	31.7	Very low	125 Å²	125	144.3 Å²	144.3	76%	0.758	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-54	127.9	168	178.2	0	0	0	0	109.1	T762	V760-T762 PolarHBondContact O-N 3.07Å
761	P	30.4	Very low	31.5	Very low	116 Å²	116	143.6 Å²	143.6	75%	0.753	82%	0.82	S	S	*	*			trans	-70.9	106.5	178.1	28.1	-30.5	0	0	0	108.7	V763	P761-V763 PolarHBondContact O-N 3.06Å
762	T	30	Very low	31.2	Very low	127 Å²	127	144.9 Å²	144.9	78%	0.779	83%	0.826	S	S	*	*			trans	-71.1	110.2	167.1	-5.8	0	0	0	0	106.9	V760 V764	V760-T762 PolarHBondContact O-N 3.07Å; T762-V764 PolarHBondContact O-N 2.66Å
763	V	31.6	Very low	31.1	Very low	128 Å²	128	141.9 Å²	141.9	78%	0.776	82%	0.82	S	S	*	*			trans	-67.9	98.8	170.3	176.6	0	0	0	0	107.2	P761 V765	P761-V763 PolarHBondContact O-N 3.06Å; V763-V765 HydrophobicContact CG1-CG2 4.35Å; V763-V765 PolarHBondContact O-N 3.18Å; V763-V765 VanDerWaalsContact O-N 3.13Å
764	V	29.3	Very low	31.1	Very low	126 Å²	126	145.9 Å²	145.9	76%	0.764	82%	0.824	S	S	*	*			trans	-71.7	102.5	172.4	179.6	0	0	0	0	107.5	T762 S766	T762-V764 PolarHBondContact O-N 2.66Å; V764-S766 PolarHBondContact O-N 2.74Å
765	V	31.4	Very low	31.2	Very low	101 Å²	101	142.8 Å²	142.8	61%	0.612	82%	0.818	S	S	*	*			trans	-76.9	100	168.1	-179.7	0	0	0	0	107.2	V763 Y767	V763-V765 HydrophobicContact CG1-CG2 4.35Å; V763-V765 PolarHBondContact O-N 3.18Å; V763-V765 VanDerWaalsContact O-N 3.13Å; V765-Y767 HydrophobicContact CG1-CD2 3.87Å; V765-Y767 HydrophobicContact CG1-CE2 3.59Å; V765-Y767 PolarHBondContact O-N 3.05Å; V765-Y767 VanDerWaalsContact O-N 3.15Å
766	S	28.3	Very low	31.3	Very low	103 Å²	103	143.1 Å²	143.1	72%	0.72	82%	0.817	S	S	*	*			trans	-71.6	101.4	173.1	56	0	0	0	0	109.9	V764	V764-S766 PolarHBondContact O-N 2.74Å
767	Y	34.4	Very low	31.4	Very low	215 Å²	215	142.1 Å²	142.1	84%	0.843	82%	0.815	S	S	*	*			trans	-81.6	117.4	157.7	-81.8	-86	0	0	0	108.2	V765	V765-Y767 HydrophobicContact CG1-CD2 3.87Å; V765-Y767 HydrophobicContact CG1-CE2 3.59Å; V765-Y767 PolarHBondContact O-N 3.05Å; V765-Y767 VanDerWaalsContact O-N 3.15Å
768	S	29	Very low	31.6	Very low	103 Å²	103	147.4 Å²	147.4	72%	0.72	82%	0.82	S	S	*	*			trans	-93.4	138	172.2	44.1	0	0	0	0	110.4
769	R	25.8	Very low	31.7	Very low	237 Å²	237	149 Å²	149	89%	0.894	82%	0.819	S	S	*	*			trans	112	142.9	158.3	-66.5	-174.2	-178.3	-168.5	0	117.1
770	P	45.7	Very low	31.9	Very low	202 Å²	202	143.9 Å²	143.9	100%	1.312	81%	0.812	S	S	*	*			cis	-96.5	0	-43.5	35.7	-25.1	0	0	0	112.1

Retrieved 770 of 770 residues in 1156.4 ms (Link to these results)

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