A0A3Q0KMZ9_SCHMA Loading...

Broad substrate specificity ATP-binding cassette transporter ABCG2

AlphaFold DB , UniProt , Accession A0A3Q0KMZ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 904 aa.

						>A0A3Q0KMZ9_SCHMA|A0A3Q0KMZ9
MTLPTSFLPVDHHDTTIVTNDHKIMKSLSDYYINENKQKLHSNLQTNFSEFTCLSQIIKQTNPLTHNSNQNTKIFTSNKGNLILSQHENQQIIQSPQYNYMPRVNKMPRDLRSHHNCLKQLINSNSPQPFDSSQITSPEDTQFSVSMPTHSSNISDFPDSKLFHNHTTDHTDLPVTTDGSFEAFKILNNPLDNNYTPTEDHKQYRSLHDTIQDGKFPYTKMNSQTIPDNASNNSIQPTNIEKNYNQVNSTMSKKQTLTNFDEFPPTPGGSFSQRGKISGAKLSFHHISYEVKIQKTLCSKPVIKTILDDVSGILRPGMNALMGPTGSGKSSLLDVLAGRKDPKFLSGKVLIDGRPQPKNFKCISGYVVQDDIVMGTLTVRENLSFSAALRMTMHYTTEERNQKVNDIIDELGLNAVADSKVGTELVRGVSGGERKRTSIGMELITEPPVLFLDEPTTGLDAYMAGQVVKTLKALAKRGRTIIFSIHQPKYSIYKLFDTLTLIYRGQIIYHGLAKKEPIRYFGRLGYVCENHNNPPDFFMDVIHGECLRQNGNTPDVQIVDHHDTQERMHLVGQQLIQDWQTSEMAQHVLEEVSSIANRLEKYENGSKKSKDKAVDISFAASYFRQLKKVCWRSILNLLRDPLASVIQTIVYLFFALSMGIVYFQMNDSLESGIQNRTGLFYFCTLQVIFVNLATIELFIKERVLFIHESSSGYYQVSVYFFSKVICDIIPTKVLPILLFMPICYWMAGLQKTFGAFMFFELILCLTTLAAAAIALFISASVTVFGLANAIISIIYVFMMAFSGFLINLKSMAVWLSWLRYFSIFRYSMGGLLAMEMKTLRFCPMNNSNTTINRQCQNGTTYLEDQEIPYITGWDLWYNVVGLMVIMIAFYILCYVRLRLLNKYK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.4	Very low	33.3	Very low	237 Å²	237	149.6 Å²	149.6	100%	1.167	84%	0.839	S	S	*	*				0	144	0	-84.8	161.6	153.3	0	0	108.3
2	T	31.5	Very low	33.2	Very low	139 Å²	139	152.3 Å²	152.3	85%	0.853	84%	0.839	S	S	*	*			trans	41	96.1	161	51	0	0	0	0	118.9
3	L	31.3	Very low	33.4	Very low	148 Å²	148	153.6 Å²	153.6	78%	0.775	84%	0.835	S	S	*	*			trans	-63.3	163.6	145.2	-104	165.3	0	0	0	110.3	T5	L3-T5 HydrophobicContact CD2-CG2 4.16Å
4	P	37.3	Very low	33.3	Very low	126 Å²	126	151.7 Å²	151.7	82%	0.818	82%	0.824	S	S	*	*				-144.9	166.4	92.7	38.7	-22.8	0	0	0	116.2
5	T	29.8	Very low	33.3	Very low	111 Å²	111	150.9 Å²	150.9	68%	0.681	83%	0.826	S	S	*	*			trans	-113.1	142.9	173.7	45.8	0	0	0	0	111.8	L3	L3-T5 HydrophobicContact CD2-CG2 4.16Å
6	S	39.1	Very low	33	Very low	111 Å²	111	150.3 Å²	150.3	78%	0.776	83%	0.828	S	S	*	*			trans	-149	109.3	162.5	53.1	0	0	0	0	108.8
7	F	31.7	Very low	33.1	Very low	194 Å²	194	150.2 Å²	150.2	85%	0.851	83%	0.825	S	S	*	*				66.8	110.3	77.3	-84.6	-70.1	0	0	0	114.9
8	L	31.7	Very low	33.2	Very low	171 Å²	171	148.3 Å²	148.3	90%	0.895	82%	0.818	S	S	*	*			trans	-171.1	134.8	135	-102.1	170	0	0	0	109.5
9	P	33.1	Very low	33.2	Very low	110 Å²	110	147.6 Å²	147.6	71%	0.714	82%	0.819	S	S	*	*			trans	-108.9	163.5	179.8	39.8	-32.6	0	0	0	114.1
10	V	38.2	Very low	33.5	Very low	145 Å²	145	145.9 Å²	145.9	88%	0.879	81%	0.808	S	S	*	*			trans	-145.3	150.4	162.9	-176.7	0	0	0	0	108.7
11	D	34.1	Very low	34	Very low	154 Å²	154	144.2 Å²	144.2	82%	0.824	80%	0.798	S	S	*	*			trans	-86.8	175.6	-158.5	-62.4	-80	0	0	0	118.4
12	H	32.5	Very low	34.7	Very low	181 Å²	181	140.1 Å²	140.1	84%	0.838	78%	0.775	S	S	*	*			trans	-69.3	148.1	179.1	-75	-100.3	0	0	0	114.6
13	H	35.9	Very low	35.2	Very low	170 Å²	170	141.6 Å²	141.6	79%	0.787	77%	0.77	S	S	*	*				-155.6	134.9	123.6	-110.9	-74.1	0	0	0	112.5
14	D	31.3	Very low	35.8	Very low	127 Å²	127	139.3 Å²	139.3	68%	0.679	76%	0.758	S	S	*	*			trans	15.8	115.5	160.6	-50.5	-44.9	0	0	0	122.1
15	T	33	Very low	35.9	Very low	140 Å²	140	139.2 Å²	139.2	86%	0.859	75%	0.747	S	S	*	*				-157.2	111.2	128	-7.2	0	0	0	0	111.5
16	T	30	Very low	36.8	Very low	140 Å²	140	140.3 Å²	140.3	86%	0.859	74%	0.743	S	S	*	*			trans	-92.7	112.2	-179.7	50.2	0	0	0	0	112.3
17	I	33.5	Very low	37.2	Very low	150 Å²	150	138.4 Å²	138.4	77%	0.769	73%	0.73	S	S	*	*			trans	-130.4	109.2	167.7	-61.8	-175.1	0	0	0	111.1
18	V	34.5	Very low	37.6	Very low	116 Å²	116	133.6 Å²	133.6	70%	0.703	71%	0.712	S	S	*	*			trans	43	91.8	153.7	-168.9	0	0	0	0	117.8	N20	V18-N20 PolarHBondContact O-N 3.18Å
19	T	33.2	Very low	38.2	Very low	135 Å²	135	127.8 Å²	127.8	83%	0.828	69%	0.686	S	S	*	*			trans	-76.7	101.9	162.6	52.2	0	0	0	0	111.7
20	N	40.6	Very low	38.9	Very low	112 Å²	112	126 Å²	126	60%	0.599	67%	0.67	S	S	*	*			trans	-140.9	-41.1	163.8	-112.7	-25	0	0	0	113.8	V18 H22 K23	V18-N20 PolarHBondContact O-N 3.18Å; N20-H22 PolarHBondContact O-N 3.43Å; N20-H22 VanDerWaalsContact O-N 3.11Å; N20-K23 PolarHBondContact O-N 3.3Å
21	D	42.6	Very low	39.7	Very low	112 Å²	112	125.9 Å²	125.9	60%	0.599	66%	0.655	S	S	*	*	H	α-helix	trans	-61.2	-25.6	-176.7	-64.7	-52.4	0	0	0	114.3	K23 I24 M25	D21-K23 PolarHBondContact O-N 3.31Å; D21-I24 PolarHBondContact O-N 2.82Å; D21-M25 PolarHBondContact O-N 2.77Å
22	H	43.3	Very low	40	Very low	151 Å²	151	125.8 Å²	125.8	70%	0.699	64%	0.644	S	S	*	*	H	α-helix	trans	-61.2	-27.8	179.3	-112.8	-47.8	0	0	0	113.8	N20 K26	N20-H22 PolarHBondContact O-N 3.43Å; N20-H22 VanDerWaalsContact O-N 3.11Å; H22-K26 VanDerWaalsContact O-CB 3.22Å; H22-K26 WeakPolarHBondContact O-CB 3.36Å; H22-K26 PolarHBondContact O-N 3.48Å; H22-K26 VanDerWaalsContact O-N 3.13Å
23	K	42.3	Very low	41.1	Very low	170 Å²	170	121.8 Å²	121.8	74%	0.739	63%	0.628	S	S	*	*	H	α-helix	trans	-73.5	-38.4	172.3	-82.1	-178.6	176.2	173.9	0	111.8	N20 D21 S27	N20-K23 PolarHBondContact O-N 3.3Å; D21-K23 PolarHBondContact O-N 3.31Å; K23-S27 WeakPolarHBondContact O-CB 3.27Å; K23-S27 PolarHBondContact O-N 3.48Å; K23-S27 PolarHBondContact O-OG 3.38Å
24	I	44.8	Very low	41.6	Very low	100 Å²	100	118.1 Å²	118.1	51%	0.513	61%	0.614	S	S	.	*	H	α-helix	trans	-69.4	-50.4	179.5	-59.4	178	0	0	0	109.8	D21 K26 S27 L28	D21-I24 PolarHBondContact O-N 2.82Å; I24-K26 VanDerWaalsContact C-N 3.3Å; I24-K26 PolarHBondContact O-N 3.34Å; I24-S27 PolarHBondContact O-N 3.36Å; I24-S27 PolarHBondContact O-OG 3.14Å; I24-L28 HydrophobicContact CG2-CD1 4.03Å; I24-L28 WeakPolarHBondContact O-CG 3.44Å; I24-L28 PolarHBondContact O-N 2.76Å
25	M	39.7	Very low	42.4	Very low	123 Å²	123	115.1 Å²	115.1	61%	0.606	60%	0.596	S	S	*	*	H	α-helix	trans	-58	-40.2	174.8	-94.1	-158.6	-78	0	0	112.5	D21 L28 S29	D21-M25 PolarHBondContact O-N 2.77Å; M25-L28 PolarHBondContact O-N 2.89Å; M25-S29 PolarHBondContact O-N 3.3Å; M25-S29 PolarHBondContact O-OG 2.95Å
26	K	47.5	Very low	42.9	Very low	135 Å²	135	113 Å²	113	59%	0.587	58%	0.579	S	S	*	*	H	α-helix	trans	-68.7	-39.3	177.1	-165.4	168.9	-174.5	176.5	0	112.6	H22 I24 L28 S29 D30	H22-K26 VanDerWaalsContact O-CB 3.22Å; H22-K26 WeakPolarHBondContact O-CB 3.36Å; H22-K26 PolarHBondContact O-N 3.48Å; H22-K26 VanDerWaalsContact O-N 3.13Å; I24-K26 VanDerWaalsContact C-N 3.3Å; I24-K26 PolarHBondContact O-N 3.34Å; K26-L28 VanDerWaalsContact C-N 3.3Å; K26-L28 PolarHBondContact O-N 3.3Å; K26-S29 WeakPolarHBondContact CA-OG 3.19Å; K26-S29 PolarHBondContact O-N 3.23Å; K26-S29 PolarHBondContact O-OG 3.01Å; K26-D30 VanDerWaalsContact O-CB 3.31Å; K26-D30 WeakPolarHBondContact O-CB 3.27Å; K26-D30 PolarHBondContact O-N 2.91Å
27	S	47.3	Very low	43.6	Very low	71 Å²	71	112 Å²	112	50%	0.497	56%	0.564	S	S	.	*	H	α-helix	trans	-64.1	-35.4	173.5	72.3	0	0	0	0	112.8	K23 I24 Y31	K23-S27 WeakPolarHBondContact O-CB 3.27Å; K23-S27 PolarHBondContact O-N 3.48Å; K23-S27 PolarHBondContact O-OG 3.38Å; I24-S27 PolarHBondContact O-N 3.36Å; I24-S27 PolarHBondContact O-OG 3.14Å; S27-Y31 VanDerWaalsContact O-CB 3.27Å; S27-Y31 WeakPolarHBondContact O-CB 3.13Å; S27-Y31 PolarHBondContact O-N 2.7Å
28	L	41.3	Very low	44	Very low	92 Å²	92	111.8 Å²	111.8	48%	0.482	56%	0.559	S	S	.	*	H	α-helix	trans	-73	-40.2	175.4	-73.1	170.1	0	0	0	111.9	I24 M25 K26 Y31 Y32	I24-L28 HydrophobicContact CG2-CD1 4.03Å; I24-L28 WeakPolarHBondContact O-CG 3.44Å; I24-L28 PolarHBondContact O-N 2.76Å; M25-L28 PolarHBondContact O-N 2.89Å; K26-L28 VanDerWaalsContact C-N 3.3Å; K26-L28 PolarHBondContact O-N 3.3Å; L28-Y31 PolarHBondContact O-N 2.95Å; L28-Y32 WeakPolarHBondContact O-CB 3.49Å; L28-Y32 WeakPolarHBondContact O-CD2 3.48Å; L28-Y32 PolarHBondContact O-N 3.5Å
29	S	43.9	Very low	44.3	Very low	50 Å²	50	111.1 Å²	111.1	35%	0.35	55%	0.547	S	S	.	.	H	α-helix	trans	-63.4	-45.3	173.4	66.6	0	0	0	0	111	M25 K26 Y31 Y32 I33	M25-S29 PolarHBondContact O-N 3.3Å; M25-S29 PolarHBondContact O-OG 2.95Å; K26-S29 WeakPolarHBondContact CA-OG 3.19Å; K26-S29 PolarHBondContact O-N 3.23Å; K26-S29 PolarHBondContact O-OG 3.01Å; S29-Y31 VanDerWaalsContact C-N 3.31Å; S29-Y31 PolarHBondContact O-N 3.27Å; S29-Y32 PolarHBondContact O-N 3.28Å; S29-I33 WeakPolarHBondContact O-CB 3.47Å; S29-I33 WeakPolarHBondContact O-CD1 3.44Å; S29-I33 WeakPolarHBondContact O-CG1 3.34Å; S29-I33 PolarHBondContact O-N 3.31Å
30	D	48.8	Very low	44.5	Very low	72 Å²	72	109.9 Å²	109.9	39%	0.385	54%	0.535	S	S	.	.	H	α-helix	trans	-68.9	-32.2	-178.5	-64.8	-9.6	0	0	0	111.2	K26 N34	K26-D30 VanDerWaalsContact O-CB 3.31Å; K26-D30 WeakPolarHBondContact O-CB 3.27Å; K26-D30 PolarHBondContact O-N 2.91Å; D30-N34 VanDerWaalsContact O-CB 3.31Å; D30-N34 WeakPolarHBondContact O-CB 3.46Å; D30-N34 PolarHBondContact O-N 3.47Å; D30-N34 PolarHBondContact O-ND2 3.32Å
31	Y	54	Low	44.6	Very low	142 Å²	142	109.9 Å²	109.9	56%	0.557	53%	0.531	S	S	*	.	H	α-helix	trans	-66	-53.8	169.9	-176.1	-84.7	0	0	0	111.7	S27 L28 S29 I33 N34 E35	S27-Y31 VanDerWaalsContact O-CB 3.27Å; S27-Y31 WeakPolarHBondContact O-CB 3.13Å; S27-Y31 PolarHBondContact O-N 2.7Å; L28-Y31 PolarHBondContact O-N 2.95Å; S29-Y31 VanDerWaalsContact C-N 3.31Å; S29-Y31 PolarHBondContact O-N 3.27Å; Y31-I33 VanDerWaalsContact C-N 3.31Å; Y31-I33 PolarHBondContact O-N 3.22Å; Y31-N34 PolarHBondContact O-N 3.49Å; Y31-E35 WeakPolarHBondContact CE1-OE2 3.48Å; Y31-E35 PolarHBondContact O-N 3.47Å; Y31-E35 PolarHBondContact OH-OE2 3.16Å
32	Y	41.1	Very low	44.5	Very low	152 Å²	152	107.5 Å²	107.5	60%	0.596	52%	0.523	S	S	*	.	H	α-helix	trans	-62.3	-36.3	178.9	-96.8	-83.9	0	0	0	112.8	L28 S29 N36	L28-Y32 WeakPolarHBondContact O-CB 3.49Å; L28-Y32 WeakPolarHBondContact O-CD2 3.48Å; L28-Y32 PolarHBondContact O-N 3.5Å; S29-Y32 PolarHBondContact O-N 3.28Å; Y32-N36 VanDerWaalsContact O-CB 3.27Å; Y32-N36 WeakPolarHBondContact O-CB 3.5Å; Y32-N36 PolarHBondContact O-N 3.31Å; Y32-N36 PolarHBondContact O-ND2 2.73Å
33	I	55.7	Low	44.4	Very low	98 Å²	98	104.1 Å²	104.1	50%	0.503	51%	0.51	S	S	.	.	H	α-helix	trans	-67	-46.4	175.3	-72.3	165.1	0	0	0	109.7	S29 Y31 K37	S29-I33 WeakPolarHBondContact O-CB 3.47Å; S29-I33 WeakPolarHBondContact O-CD1 3.44Å; S29-I33 WeakPolarHBondContact O-CG1 3.34Å; S29-I33 PolarHBondContact O-N 3.31Å; Y31-I33 VanDerWaalsContact C-N 3.31Å; Y31-I33 PolarHBondContact O-N 3.22Å; I33-K37 WeakPolarHBondContact O-CB 3.47Å; I33-K37 PolarHBondContact O-N 3Å
34	N	46	Very low	44.2	Very low	92 Å²	92	99.6 Å²	99.6	49%	0.492	49%	0.494	S	S	.	.	H	α-helix	trans	-67.2	-42.5	179.7	-79.7	-52.8	0	0	0	112.9	D30 Y31 K37 Q38	D30-N34 VanDerWaalsContact O-CB 3.31Å; D30-N34 WeakPolarHBondContact O-CB 3.46Å; D30-N34 PolarHBondContact O-N 3.47Å; D30-N34 PolarHBondContact O-ND2 3.32Å; Y31-N34 PolarHBondContact O-N 3.49Å; N34-K37 PolarHBondContact O-N 3.49Å; N34-Q38 WeakPolarHBondContact O-CG 3.34Å; N34-Q38 PolarHBondContact O-N 3.03Å
35	E	48.7	Very low	43.9	Very low	65 Å²	65	101.8 Å²	101.8	30%	0.304	50%	0.501	S	S	.	.	H	α-helix	trans	-65.3	-42.1	178.3	-157.2	-168.6	123.6	0	0	111.3	Y31 K39	Y31-E35 WeakPolarHBondContact CE1-OE2 3.48Å; Y31-E35 PolarHBondContact O-N 3.47Å; Y31-E35 PolarHBondContact OH-OE2 3.16Å; E35-K39 WeakPolarHBondContact O-CB 3.4Å; E35-K39 WeakPolarHBondContact O-CG 3.41Å; E35-K39 PolarHBondContact O-N 3.24Å; E35-K39 WeakPolarHBondContact OE1-CE 3.43Å; E35-K39 IonicContact OE1-NZ 2.77Å; E35-K39 PolarHBondContact OE1-NZ 3.26Å
36	N	43.4	Very low	44	Very low	94 Å²	94	99.1 Å²	99.1	50%	0.503	49%	0.492	S	S	.	.	H	α-helix	trans	-67.2	-35.8	172.6	-77.9	-61.3	0	0	0	112.5	Y32 K39 L40	Y32-N36 VanDerWaalsContact O-CB 3.27Å; Y32-N36 WeakPolarHBondContact O-CB 3.5Å; Y32-N36 PolarHBondContact O-N 3.31Å; Y32-N36 PolarHBondContact O-ND2 2.73Å; N36-K39 CarbonylContact O-C 3.54Å; N36-K39 PolarHBondContact O-N 3.08Å; N36-L40 WeakPolarHBondContact O-CB 3.5Å; N36-L40 PolarHBondContact O-N 3.11Å
37	K	44.4	Very low	43.7	Very low	121 Å²	121	96.4 Å²	96.4	53%	0.526	48%	0.484	S	S	.	.	H	α-helix	trans	-69.9	-36.6	179.1	-167.8	174.8	-172.9	-178.4	0	111.9	I33 N34 L40 H41	I33-K37 WeakPolarHBondContact O-CB 3.47Å; I33-K37 PolarHBondContact O-N 3Å; N34-K37 PolarHBondContact O-N 3.49Å; K37-L40 PolarHBondContact O-N 3.34Å; K37-H41 WeakPolarHBondContact O-CB 3.46Å; K37-H41 PolarHBondContact O-CD2 3.21Å; K37-H41 PolarHBondContact O-N 3.36Å
38	Q	40.6	Very low	43.6	Very low	144 Å²	144	100 Å²	100	67%	0.673	49%	0.491	S	S	*	.	H	α-helix	trans	-65.1	-48.6	169.9	-73.8	-176.6	-8.1	0	0	111.5	N34 L40 H41 S42	N34-Q38 WeakPolarHBondContact O-CG 3.34Å; N34-Q38 PolarHBondContact O-N 3.03Å; Q38-L40 VanDerWaalsContact C-N 3.26Å; Q38-L40 PolarHBondContact O-N 2.79Å; Q38-H41 PolarHBondContact O-N 3.44Å; Q38-S42 PolarHBondContact O-N 3.12Å; Q38-S42 PolarHBondContact O-OG 2.81Å
39	K	41.3	Very low	43.5	Very low	102 Å²	102	98.3 Å²	98.3	44%	0.443	49%	0.487	S	S	.	.	H	α-helix	trans	-62.1	-30.8	174.9	-74.8	170.8	172.7	172.5	0	112.7	E35 N36 S42 N43	E35-K39 WeakPolarHBondContact O-CB 3.4Å; E35-K39 WeakPolarHBondContact O-CG 3.41Å; E35-K39 PolarHBondContact O-N 3.24Å; E35-K39 WeakPolarHBondContact OE1-CE 3.43Å; E35-K39 IonicContact OE1-NZ 2.77Å; E35-K39 PolarHBondContact OE1-NZ 3.26Å; N36-K39 CarbonylContact O-C 3.54Å; N36-K39 PolarHBondContact O-N 3.08Å; K39-S42 PolarHBondContact O-OG 3.1Å; K39-N43 WeakPolarHBondContact O-CB 3.46Å; K39-N43 PolarHBondContact O-N 2.97Å; K39-N43 PolarHBondContact O-ND2 3.18Å
40	L	38.4	Very low	43.5	Very low	110 Å²	110	100.7 Å²	100.7	58%	0.576	49%	0.493	S	S	*	.	H	α-helix	trans	-76.5	-40.6	176.2	-165.2	74.2	0	0	0	111.3	N36 K37 Q38 N43 L44	N36-L40 WeakPolarHBondContact O-CB 3.5Å; N36-L40 PolarHBondContact O-N 3.11Å; K37-L40 PolarHBondContact O-N 3.34Å; Q38-L40 VanDerWaalsContact C-N 3.26Å; Q38-L40 PolarHBondContact O-N 2.79Å; L40-N43 PolarHBondContact O-N 2.82Å; L40-L44 HydrophobicContact CD2-CD1 4.27Å; L40-L44 HydrophobicContact CG-CD1 3.94Å; L40-L44 HydrophobicContact CG-CG 4.44Å; L40-L44 VanDerWaalsContact O-CB 3.28Å; L40-L44 WeakPolarHBondContact O-CB 3.31Å; L40-L44 WeakPolarHBondContact O-CG 3.42Å; L40-L44 PolarHBondContact O-N 2.92Å
41	H	42.7	Very low	43.3	Very low	111 Å²	111	104.7 Å²	104.7	51%	0.514	51%	0.507	S	S	.	.	H	α-helix	trans	-62.3	-45.6	176.2	-101.6	-88.6	0	0	0	112.5	K37 Q38 N43 L44 Q45	K37-H41 WeakPolarHBondContact O-CB 3.46Å; K37-H41 PolarHBondContact O-CD2 3.21Å; K37-H41 PolarHBondContact O-N 3.36Å; Q38-H41 PolarHBondContact O-N 3.44Å; H41-N43 PolarHBondContact O-N 3Å; H41-L44 PolarHBondContact O-N 3.37Å; H41-Q45 PolarHBondContact O-N 3.08Å
42	S	40	Very low	43.1	Very low	63 Å²	63	101.6 Å²	101.6	44%	0.441	50%	0.503	S	S	.	.	H	α-helix	trans	-63	-42.9	178.6	59.8	0	0	0	0	112	Q38 K39 Q45 T46	Q38-S42 PolarHBondContact O-N 3.12Å; Q38-S42 PolarHBondContact O-OG 2.81Å; K39-S42 PolarHBondContact O-OG 3.1Å; S42-Q45 PolarHBondContact O-N 3.17Å; S42-T46 PolarHBondContact O-N 3.47Å; S42-T46 PolarHBondContact O-OG1 3.13Å
43	N	40	Very low	42.8	Very low	79 Å²	79	95 Å²	95	42%	0.422	48%	0.479	S	S	.	.	H	α-helix	trans	-69.9	-32.4	175.6	-75.6	-60.3	0	0	0	113.2	K39 L40 H41 T46 N47	K39-N43 WeakPolarHBondContact O-CB 3.46Å; K39-N43 PolarHBondContact O-N 2.97Å; K39-N43 PolarHBondContact O-ND2 3.18Å; L40-N43 PolarHBondContact O-N 2.82Å; H41-N43 PolarHBondContact O-N 3Å; N43-T46 WeakPolarHBondContact CA-OG1 3.19Å; N43-T46 PolarHBondContact O-OG1 2.78Å; N43-N47 WeakPolarHBondContact O-CB 3.46Å; N43-N47 PolarHBondContact O-N 3.11Å; N43-N47 PolarHBondContact O-ND2 2.83Å; N43-N47 PolarHBondContact O-OD1 3.2Å
44	L	39	Very low	42.3	Very low	76 Å²	76	94.8 Å²	94.8	40%	0.398	48%	0.478	S	S	.	.	H	α-helix	trans	-68.4	-37.8	174.3	-83.8	167.1	0	0	0	111.9	L40 H41 N47 F48	L40-L44 HydrophobicContact CD2-CD1 4.27Å; L40-L44 HydrophobicContact CG-CD1 3.94Å; L40-L44 HydrophobicContact CG-CG 4.44Å; L40-L44 VanDerWaalsContact O-CB 3.28Å; L40-L44 WeakPolarHBondContact O-CB 3.31Å; L40-L44 WeakPolarHBondContact O-CG 3.42Å; L40-L44 PolarHBondContact O-N 2.92Å; H41-L44 PolarHBondContact O-N 3.37Å; L44-N47 PolarHBondContact O-N 2.92Å; L44-F48 WeakPolarHBondContact O-CB 3.39Å; L44-F48 PolarHBondContact O-N 3.44Å
45	Q	38.9	Very low	42.4	Very low	145 Å²	145	93.2 Å²	93.2	68%	0.678	47%	0.474	S	S	*	.	H	α-helix	trans	-65.9	-39.8	175.9	-73.8	-177.3	-73.8	0	0	112.3	H41 S42 S49	H41-Q45 PolarHBondContact O-N 3.08Å; S42-Q45 PolarHBondContact O-N 3.17Å; Q45-S49 PolarHBondContact O-N 3.14Å
46	T	41.9	Very low	42.3	Very low	68 Å²	68	95.8 Å²	95.8	42%	0.417	49%	0.487	S	S	.	.	H	α-helix	trans	-63.8	-48.6	171.3	43.1	0	0	0	0	111.4	S42 N43 F48 S49 E50	S42-T46 PolarHBondContact O-N 3.47Å; S42-T46 PolarHBondContact O-OG1 3.13Å; N43-T46 WeakPolarHBondContact CA-OG1 3.19Å; N43-T46 PolarHBondContact O-OG1 2.78Å; T46-F48 VanDerWaalsContact C-N 3.35Å; T46-F48 PolarHBondContact O-N 3.1Å; T46-S49 WeakPolarHBondContact O-CB 3.43Å; T46-S49 PolarHBondContact O-N 3.2Å; T46-S49 PolarHBondContact O-OG 2.68Å; T46-E50 PolarHBondContact O-N 3.31Å; T46-E50 VanDerWaalsContact O-N 3.15Å
47	N	41.1	Very low	42.6	Very low	77 Å²	77	95.1 Å²	95.1	41%	0.412	48%	0.482	S	S	.	.	H	α-helix	trans	-63.6	-36.7	-177.1	-66	0.5	0	0	0	112.8	N43 L44 S49 E50 F51	N43-N47 WeakPolarHBondContact O-CB 3.46Å; N43-N47 PolarHBondContact O-N 3.11Å; N43-N47 PolarHBondContact O-ND2 2.83Å; N43-N47 PolarHBondContact O-OD1 3.2Å; L44-N47 PolarHBondContact O-N 2.92Å; N47-S49 VanDerWaalsContact C-N 3.33Å; N47-S49 PolarHBondContact O-N 2.98Å; N47-E50 PolarHBondContact O-N 3.48Å; N47-F51 PolarHBondContact O-N 3.48Å; N47-F51 VanDerWaalsContact O-N 3.11Å
48	F	45	Very low	43	Very low	146 Å²	146	95 Å²	95	64%	0.64	49%	0.486	S	S	*	.	H	α-helix	trans	-66.2	-34.3	173.5	-102	-86.5	0	0	0	112.5	L44 T46 E50 T52	L44-F48 WeakPolarHBondContact O-CB 3.39Å; L44-F48 PolarHBondContact O-N 3.44Å; T46-F48 VanDerWaalsContact C-N 3.35Å; T46-F48 PolarHBondContact O-N 3.1Å; F48-E50 VanDerWaalsContact C-N 3.33Å; F48-T52 WeakPolarHBondContact O-CB 3.3Å; F48-T52 PolarHBondContact O-N 2.97Å; F48-T52 PolarHBondContact O-OG1 3.26Å
49	S	38.7	Very low	43.4	Very low	57 Å²	57	96.7 Å²	96.7	40%	0.399	49%	0.491	S	S	.	.	H	α-helix	trans	-65.8	-36	175.1	80.9	0	0	0	0	112.1	Q45 T46 N47 T52 C53	Q45-S49 PolarHBondContact O-N 3.14Å; T46-S49 WeakPolarHBondContact O-CB 3.43Å; T46-S49 PolarHBondContact O-N 3.2Å; T46-S49 PolarHBondContact O-OG 2.68Å; N47-S49 VanDerWaalsContact C-N 3.33Å; N47-S49 PolarHBondContact O-N 2.98Å; S49-T52 PolarHBondContact O-N 3.12Å; S49-C53 PolarHBondContact O-N 3.08Å; S49-C53 VanDerWaalsContact O-N 3.13Å
50	E	43.1	Very low	43.6	Very low	101 Å²	101	100 Å²	100	47%	0.472	51%	0.508	S	S	.	.	H	α-helix	trans	-68	-48	176.3	-65.7	-176.5	165	0	0	111.8	T46 N47 F48 T52 C53 L54	T46-E50 PolarHBondContact O-N 3.31Å; T46-E50 VanDerWaalsContact O-N 3.15Å; N47-E50 PolarHBondContact O-N 3.48Å; F48-E50 VanDerWaalsContact C-N 3.33Å; E50-T52 VanDerWaalsContact C-N 3.27Å; E50-T52 PolarHBondContact O-N 3.48Å; E50-C53 PolarHBondContact O-N 2.91Å; E50-L54 PolarHBondContact O-N 3.43Å
51	F	46.1	Very low	43.8	Very low	156 Å²	156	99.5 Å²	99.5	68%	0.684	51%	0.51	S	S	*	.	H	α-helix	trans	-59.3	-37.9	174.2	-95.3	-82.6	0	0	0	112.5	N47 C53 L54 S55	N47-F51 PolarHBondContact O-N 3.48Å; N47-F51 VanDerWaalsContact O-N 3.11Å; F51-C53 PolarHBondContact O-N 3.4Å; F51-L54 PolarHBondContact O-N 3.31Å; F51-S55 PolarHBondContact O-N 3.44Å
52	T	48.1	Very low	43.4	Very low	76 Å²	76	101.2 Å²	101.2	47%	0.466	52%	0.523	S	S	.	.	H	α-helix	trans	-63.3	-42.4	177.1	-54.3	0	0	0	0	111	F48 S49 E50 S55 Q56	F48-T52 WeakPolarHBondContact O-CB 3.3Å; F48-T52 PolarHBondContact O-N 2.97Å; F48-T52 PolarHBondContact O-OG1 3.26Å; S49-T52 PolarHBondContact O-N 3.12Å; E50-T52 VanDerWaalsContact C-N 3.27Å; E50-T52 PolarHBondContact O-N 3.48Å; T52-S55 WeakPolarHBondContact O-CB 3.48Å; T52-S55 PolarHBondContact O-N 2.95Å; T52-S55 PolarHBondContact O-OG 3.22Å; T52-Q56 PolarHBondContact O-N 3.27Å
53	C	35.5	Very low	43.2	Very low	15 Å²	15	103.9 Å²	103.9	10%	0.101	54%	0.538	C	S	.	.	H	α-helix	trans	-68.2	-37.9	176.2	-174.1	0	0	0	0	113.2	S49 E50 F51 S55 Q56 I57 C298	S49-C53 PolarHBondContact O-N 3.08Å; S49-C53 VanDerWaalsContact O-N 3.13Å; E50-C53 PolarHBondContact O-N 2.91Å; F51-C53 PolarHBondContact O-N 3.4Å; C53-S55 PolarHBondContact O-N 2.99Å; C53-Q56 WeakPolarHBondContact O-CA 3.49Å; C53-Q56 WeakPolarHBondContact O-CB 3.42Å; C53-Q56 PolarHBondContact O-N 2.97Å; C53-I57 PolarHBondContact O-N 2.97Å; C53-C298 HydrophobicContact CB-CB 4.17Å; C53-C298 WeakPolarHBondContact CB-SG 3.46Å; C53-C298 WeakPolarHBondContact SG-CB 3.46Å; C53-C298 CovalentContact SG-SG 2.01Å; C53-C298 PolarHBondContact SG-SG 2.82Å
54	L	44.5	Very low	42.8	Very low	93 Å²	93	108.6 Å²	108.6	49%	0.487	56%	0.563	S	S	.	*	H	α-helix	trans	-54.6	-38.3	173.8	-90.6	165.7	0	0	0	111.8	E50 F51 Q56 I57 I58	E50-L54 PolarHBondContact O-N 3.43Å; F51-L54 PolarHBondContact O-N 3.31Å; L54-Q56 VanDerWaalsContact C-N 3.31Å; L54-Q56 PolarHBondContact O-N 3.02Å; L54-I57 PolarHBondContact O-N 3.2Å; L54-I58 WeakPolarHBondContact O-CD1 3.37Å; L54-I58 VanDerWaalsContact O-CG1 3.29Å; L54-I58 WeakPolarHBondContact O-CG1 3.33Å; L54-I58 PolarHBondContact O-N 2.87Å; L54-I58 VanDerWaalsContact O-N 3.1Å
55	S	48.5	Very low	42.5	Very low	58 Å²	58	110.7 Å²	110.7	41%	0.406	58%	0.579	S	S	.	*	H	α-helix	trans	-65.9	-29	174.2	85.1	0	0	0	0	114.2	F51 T52 C53 K59	F51-S55 PolarHBondContact O-N 3.44Å; T52-S55 WeakPolarHBondContact O-CB 3.48Å; T52-S55 PolarHBondContact O-N 2.95Å; T52-S55 PolarHBondContact O-OG 3.22Å; C53-S55 PolarHBondContact O-N 2.99Å; S55-K59 WeakPolarHBondContact O-CG 3.28Å; S55-K59 PolarHBondContact O-N 2.94Å
56	Q	46.8	Very low	42.2	Very low	120 Å²	120	111.6 Å²	111.6	56%	0.561	58%	0.583	S	S	*	*	H	α-helix	trans	-78.5	-41.1	176.1	-69.6	-174.7	-23.4	0	0	111.9	T52 C53 L54 K59 Q60	T52-Q56 PolarHBondContact O-N 3.27Å; C53-Q56 WeakPolarHBondContact O-CA 3.49Å; C53-Q56 WeakPolarHBondContact O-CB 3.42Å; C53-Q56 PolarHBondContact O-N 2.97Å; L54-Q56 VanDerWaalsContact C-N 3.31Å; L54-Q56 PolarHBondContact O-N 3.02Å; Q56-K59 PolarHBondContact O-N 3.29Å; Q56-Q60 PolarHBondContact O-N 3.31Å
57	I	49.1	Very low	41.8	Very low	80 Å²	80	114.6 Å²	114.6	41%	0.41	60%	0.596	S	S	.	*	H	α-helix	trans	-60.4	-49.1	176.1	-67.4	171.8	0	0	0	110.2	C53 L54 K59 Q60 T61	C53-I57 PolarHBondContact O-N 2.97Å; L54-I57 PolarHBondContact O-N 3.2Å; I57-K59 PolarHBondContact O-N 3.12Å; I57-Q60 PolarHBondContact O-N 3.06Å; I57-T61 PolarHBondContact O-N 2.76Å; I57-T61 PolarHBondContact O-OG1 2.73Å
58	I	53.4	Low	41.4	Very low	118 Å²	118	115.4 Å²	115.4	61%	0.605	61%	0.608	S	S	*	*	H	α-helix	trans	-60.7	-30.7	179	-67.8	167.2	0	0	0	111.7	L54	L54-I58 WeakPolarHBondContact O-CD1 3.37Å; L54-I58 VanDerWaalsContact O-CG1 3.29Å; L54-I58 WeakPolarHBondContact O-CG1 3.33Å; L54-I58 PolarHBondContact O-N 2.87Å; L54-I58 VanDerWaalsContact O-N 3.1Å
59	K	49.8	Very low	40.6	Very low	180 Å²	180	115.8 Å²	115.8	78%	0.783	62%	0.617	S	S	*	*	H	α-helix	trans	-76.6	-16.1	175.1	-80.3	-179.2	175.5	-178.6	0	114.7	S55 Q56 I57	S55-K59 WeakPolarHBondContact O-CG 3.28Å; S55-K59 PolarHBondContact O-N 2.94Å; Q56-K59 PolarHBondContact O-N 3.29Å; I57-K59 PolarHBondContact O-N 3.12Å
60	Q	45.9	Very low	40.4	Very low	171 Å²	171	122.3 Å²	122.3	80%	0.799	64%	0.641	S	S	*	*	H	α-helix	trans	-97.1	-15.1	178.8	-72.7	-171.6	-18.2	0	0	113.7	Q56 I57 N62	Q56-Q60 PolarHBondContact O-N 3.31Å; I57-Q60 PolarHBondContact O-N 3.06Å; Q60-N62 PolarHBondContact O-N 3.19Å
61	T	41.8	Very low	39.8	Very low	100 Å²	100	124.3 Å²	124.3	61%	0.613	66%	0.655	S	S	*	*			trans	-100.4	70.6	179.7	55.8	0	0	0	0	112.3	I57	I57-T61 PolarHBondContact O-N 2.76Å; I57-T61 PolarHBondContact O-OG1 2.73Å
62	N	33.7	Very low	39.1	Very low	146 Å²	146	123 Å²	123	78%	0.781	66%	0.659	S	S	*	*			trans	-139.3	115.3	167.1	-125.7	-7.9	0	0	0	109.2	Q60 L64	Q60-N62 PolarHBondContact O-N 3.19Å; N62-L64 PolarHBondContact O-N 3.02Å
63	P	35.9	Very low	38.2	Very low	119 Å²	119	127.6 Å²	127.6	77%	0.773	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-82.1	117	-170.2	30.9	-33.4	0	0	0	112
64	L	32.6	Very low	37.8	Very low	178 Å²	178	133 Å²	133	93%	0.932	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-82.7	129.9	166.3	-75.9	170.7	0	0	0	110.4	N62	N62-L64 PolarHBondContact O-N 3.02Å
65	T	31.9	Very low	37.1	Very low	120 Å²	120	137.9 Å²	137.9	74%	0.736	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-94.4	169.8	173.6	46.4	0	0	0	0	111.7
66	H	33.3	Very low	36	Very low	165 Å²	165	141 Å²	141	76%	0.764	73%	0.734	S	S	*	*			trans	84.8	125.9	170.7	-81.4	-76.4	0	0	0	121.3
67	N	32.2	Very low	35.2	Very low	131 Å²	131	140.6 Å²	140.6	70%	0.701	75%	0.745	S	S	*	*			trans	82.1	92.8	138.6	-67.4	8.2	0	0	0	121.9
68	S	32.5	Very low	34.3	Very low	94 Å²	94	143.8 Å²	143.8	66%	0.657	76%	0.762	S	S	*	*				70.8	117.2	115.9	67.9	0	0	0	0	121.9
69	N	29.1	Very low	33.1	Very low	153 Å²	153	147.8 Å²	147.8	82%	0.818	78%	0.776	S	S	*	*			trans	48.1	113.5	132.5	-55.3	-9.1	0	0	0	119.7
70	Q	33.8	Very low	32.1	Very low	195 Å²	195	142.6 Å²	142.6	91%	0.911	77%	0.773	S	S	*	*				-167.3	170.3	99.2	-101.5	179.3	21.8	0	0	113.4
71	N	31.6	Very low	31.1	Very low	142 Å²	142	142.3 Å²	142.3	76%	0.759	78%	0.777	S	S	*	*			trans	-88.1	172.1	-162.5	-67	-50.9	0	0	0	115.2
72	T	31.9	Very low	30.5	Very low	128 Å²	128	144.7 Å²	144.7	79%	0.785	79%	0.785	S	S	*	*			trans	68.4	153.1	145.2	37.9	0	0	0	0	119.1
73	K	28.1	Very low	30.1	Very low	173 Å²	173	146 Å²	146	75%	0.752	79%	0.79	S	S	*	*			cis	-170.4	160.3	-27.9	-131.7	-176.7	-171.8	176.9	0	108
74	I	28.3	Very low	29.7	Very low	128 Å²	128	146.1 Å²	146.1	66%	0.656	78%	0.784	S	S	*	*			trans	64.6	118.8	156.9	-57.1	154.8	0	0	0	117.1
75	F	28.8	Very low	29.3	Very low	196 Å²	196	142.5 Å²	142.5	86%	0.86	77%	0.774	S	S	*	*				-165.3	154.3	109.6	-112	-75.3	0	0	0	111.5
76	T	26.6	Very low	29.2	Very low	125 Å²	125	145.3 Å²	145.3	77%	0.767	78%	0.778	S	S	*	*			trans	-138.1	169.9	-177	49.5	0	0	0	0	110.8
77	S	28.5	Very low	28.9	Very low	111 Å²	111	144.6 Å²	144.6	78%	0.776	78%	0.775	S	S	*	*			trans	76.6	147.1	-173.7	-141.3	0	0	0	0	113
78	N	30.3	Very low	28.8	Very low	146 Å²	146	147.1 Å²	147.1	78%	0.781	78%	0.783	S	S	*	*			cis	-146.8	177.3	24	-154.1	-13.6	0	0	0	113.1
79	K	28.5	Very low	28.5	Very low	203 Å²	203	149.4 Å²	149.4	88%	0.883	79%	0.787	S	S	*	*			trans	-70.1	148.1	174.5	-67.3	177.5	177.2	177.6	0	112.2
80	G	28.3	Very low	28.4	Very low	71 Å²	71	146.7 Å²	146.7	73%	0.732	77%	0.77	S	S	*	*			trans	-165.9	123.2	164	0	0	0	0	0	111.4
81	N	25.7	Very low	28.1	Very low	165 Å²	165	146.3 Å²	146.3	88%	0.882	77%	0.768	S	S	*	*			trans	-75.3	124.7	169.1	-76.7	-7.1	0	0	0	108.6
82	L	28	Very low	27.8	Very low	149 Å²	149	147.3 Å²	147.3	78%	0.78	77%	0.772	S	S	*	*			trans	-126.8	98.1	164.8	-134.2	77.9	0	0	0	109	L84	L82-L84 HydrophobicContact CD2-CD1 3.82Å; L82-L84 HydrophobicContact CG-CD1 4.47Å; L82-L84 PolarHBondContact O-N 2.95Å
83	I	25.8	Very low	27.6	Very low	173 Å²	173	148.7 Å²	148.7	89%	0.887	77%	0.773	S	S	*	*			trans	-75.6	112.9	159.4	-63.1	171.3	0	0	0	105.2
84	L	28.4	Very low	27.4	Very low	122 Å²	122	149.5 Å²	149.5	64%	0.639	78%	0.779	S	S	*	*			trans	-143.4	108.5	174.6	-142.8	159.2	0	0	0	108.9	L82	L82-L84 HydrophobicContact CD2-CD1 3.82Å; L82-L84 HydrophobicContact CG-CD1 4.47Å; L82-L84 PolarHBondContact O-N 2.95Å
85	S	24.6	Very low	27.2	Very low	103 Å²	103	147.3 Å²	147.3	72%	0.72	78%	0.775	S	S	*	*			trans	-71.6	132.8	179.5	38.3	0	0	0	0	110.7
86	Q	29.6	Very low	27.1	Very low	178 Å²	178	143.4 Å²	143.4	83%	0.832	77%	0.77	S	S	*	*			trans	-130.1	104	166	-68.7	-163.7	-62	0	0	109.9	E88	Q86-E88 PolarHBondContact O-N 3.5Å
87	H	27.4	Very low	27	Very low	151 Å²	151	145.4 Å²	145.4	70%	0.699	77%	0.77	S	S	*	*			trans	-66.4	110.1	167.1	-86.8	-104.2	0	0	0	109.6
88	E	28.6	Very low	26.9	Very low	183 Å²	183	149.3 Å²	149.3	86%	0.855	77%	0.769	S	S	*	*			trans	-155.6	16.2	162.9	-127.9	173.8	-163.7	0	0	114.5	Q86	Q86-E88 PolarHBondContact O-N 3.5Å
89	N	27.8	Very low	26.6	Very low	142 Å²	142	149.4 Å²	149.4	76%	0.759	77%	0.77	S	S	*	*			trans	-115.3	40.8	-174.9	-83.3	-73.3	0	0	0	114.3
90	Q	26.7	Very low	26.6	Very low	97 Å²	97	149.5 Å²	149.5	45%	0.453	77%	0.766	S	S	.	*			trans	-131.2	66.4	174	-87.1	-179.9	-26.9	0	0	112.7	D563	Q90-D563 PolarHBondContact NE2-OD2 2.73Å
91	Q	26.2	Very low	26.4	Very low	187 Å²	187	154.4 Å²	154.4	87%	0.874	77%	0.772	S	S	*	*	S	Bend	trans	-162.2	165.6	154.6	-112.1	162.9	65.1	0	0	110
92	I	25.8	Very low	26.6	Very low	163 Å²	163	151.9 Å²	151.9	84%	0.836	77%	0.765	S	S	*	*			trans	63.9	55.2	-176.4	-36	177.2	0	0	0	113.8
93	I	26.6	Very low	26.4	Very low	157 Å²	157	156.4 Å²	156.4	81%	0.805	77%	0.771	S	S	*	*			trans	-119.2	75.7	143.4	-54.1	-178.6	0	0	0	107.6
94	Q	23.8	Very low	26.6	Very low	189 Å²	189	154.2 Å²	154.2	88%	0.883	77%	0.766	S	S	*	*			trans	-97.5	90.7	162.7	-78.3	-176.1	-20.3	0	0	108.5
95	S	25.8	Very low	26.6	Very low	83 Å²	83	155.9 Å²	155.9	58%	0.58	78%	0.776	S	S	*	*			trans	-63.9	157	145.5	47.4	0	0	0	0	108.7	Q97	S95-Q97 PolarHBondContact O-N 3.15Å
96	P	26.2	Very low	26.9	Very low	114 Å²	114	160.7 Å²	160.7	74%	0.74	78%	0.783	S	S	*	*			trans	-62.3	106	174.9	-21	33.3	0	0	0	110.4	Y98	P96-Y98 HydrophobicContact CB-CE2 4.46Å; P96-Y98 PolarHBondContact O-N 2.87Å
97	Q	25.4	Very low	26.6	Very low	167 Å²	167	160.7 Å²	160.7	78%	0.78	79%	0.785	S	S	*	*			trans	-71.7	100.1	170.3	-83.5	-168.7	-30.7	0	0	109.2	S95 N99	S95-Q97 PolarHBondContact O-N 3.15Å; Q97-N99 PolarHBondContact O-N 3.05Å; Q97-N99 VanDerWaalsContact O-N 3.11Å
98	Y	25	Very low	26.7	Very low	193 Å²	193	158.7 Å²	158.7	76%	0.757	79%	0.786	S	S	*	*			trans	-68.7	103	162.4	-81.4	-87.4	0	0	0	108.7	P96 Y100	P96-Y98 HydrophobicContact CB-CE2 4.46Å; P96-Y98 PolarHBondContact O-N 2.87Å; Y98-Y100 PolarHBondContact O-N 3.31Å
99	N	24.5	Very low	26.7	Very low	148 Å²	148	160.2 Å²	160.2	79%	0.791	78%	0.784	S	S	*	*			trans	-65.8	89.4	178.1	-84.4	-27.3	0	0	0	111.5	Q97 M101	Q97-N99 PolarHBondContact O-N 3.05Å; Q97-N99 VanDerWaalsContact O-N 3.11Å; N99-M101 PolarHBondContact O-N 3.3Å
100	Y	28.4	Very low	26.8	Very low	204 Å²	204	160.1 Å²	160.1	80%	0.8	78%	0.783	S	S	*	*			trans	-72.3	101.2	161.9	-97.3	-88.9	0	0	0	109.4	Y98 P102	Y98-Y100 PolarHBondContact O-N 3.31Å; Y100-P102 VanDerWaalsContact O-CD 3.27Å; Y100-P102 WeakPolarHBondContact O-CD 3.43Å
101	M	23.5	Very low	26.9	Very low	175 Å²	175	163 Å²	163	86%	0.862	80%	0.801	S	S	*	*			trans	-94.6	105.5	173.6	-161.4	-174.6	-158.7	0	0	109.8	N99 R103	N99-M101 PolarHBondContact O-N 3.3Å; M101-R103 PolarHBondContact O-N 3.05Å
102	P	30.7	Very low	26.9	Very low	112 Å²	112	166 Å²	166	73%	0.727	80%	0.804	S	S	*	*			trans	-76.3	109.1	179	30	-32.9	0	0	0	110.4	Y100 V104	Y100-P102 VanDerWaalsContact O-CD 3.27Å; Y100-P102 WeakPolarHBondContact O-CD 3.43Å; P102-V104 PolarHBondContact O-N 2.83Å
103	R	24.1	Very low	27.1	Very low	243 Å²	243	162.6 Å²	162.6	92%	0.917	80%	0.796	S	S	*	*			trans	-66.7	101.3	167.5	-79.8	-174.4	174.7	-180	-1	110	M101	M101-R103 PolarHBondContact O-N 3.05Å
104	V	30.6	Very low	27.4	Very low	128 Å²	128	164.4 Å²	164.4	78%	0.776	80%	0.8	S	S	*	*			trans	-125.1	102.1	165.6	-177.1	0	0	0	0	109.3	P102 K106	P102-V104 PolarHBondContact O-N 2.83Å; V104-K106 PolarHBondContact O-N 3.11Å
105	N	27.2	Very low	27.8	Very low	157 Å²	157	163 Å²	163	84%	0.84	79%	0.793	S	S	*	*			trans	-76	111.4	171	-75.5	-11	0	0	0	109.9
106	K	31.2	Very low	27.9	Very low	203 Å²	203	165.6 Å²	165.6	88%	0.883	80%	0.8	S	S	*	*			trans	-179.2	112.6	138.2	-101.6	163.3	-176	-175.5	0	112	V104	V104-K106 PolarHBondContact O-N 3.11Å
107	M	23.7	Very low	27.9	Very low	178 Å²	178	165.9 Å²	165.9	88%	0.877	80%	0.804	S	S	*	*			trans	-71.3	153.3	151.8	-115.8	-177.6	-172.4	0	0	108.5
108	P	29.1	Very low	28	Very low	110 Å²	110	165.4 Å²	165.4	71%	0.714	81%	0.806	S	S	*	*				-149	144.1	83.5	37.2	-19	0	0	0	117.7
109	R	29.1	Very low	28	Very low	214 Å²	214	166 Å²	166	81%	0.808	81%	0.813	S	S	*	*			trans	63	144.5	137.1	-64.9	-177.8	-172.3	-179.5	2.2	121.7
110	D	29.3	Very low	28.2	Very low	140 Å²	140	167.6 Å²	167.6	75%	0.749	82%	0.815	S	S	*	*			trans	55.2	129.7	155.7	-45.5	-31.6	0	0	0	117.7
111	L	29.4	Very low	28.3	Very low	159 Å²	159	165.4 Å²	165.4	83%	0.832	82%	0.816	S	S	*	*			cis	-130.7	160.2	38	-95.5	72.8	0	0	0	114.6
112	R	26.3	Very low	28.8	Very low	248 Å²	248	164.2 Å²	164.2	94%	0.936	81%	0.812	S	S	*	*			trans	-97.4	111.5	159.2	-71.8	-180	179	175	0	110.9
113	S	30.4	Very low	28.8	Very low	93 Å²	93	166.5 Å²	166.5	65%	0.65	82%	0.818	S	S	*	*			trans	-177.7	107.9	148.7	43.6	0	0	0	0	112.7
114	H	31.9	Very low	29.2	Very low	195 Å²	195	159.7 Å²	159.7	90%	0.903	81%	0.808	S	S	*	*				-169.1	147.9	118.5	-114.2	-93.3	0	0	0	109.1
115	H	33.1	Very low	29.4	Very low	160 Å²	160	160.7 Å²	160.7	74%	0.741	81%	0.809	S	S	*	*			trans	-123.7	139.2	-164.8	-151.2	47.3	0	0	0	110.6
116	N	27.6	Very low	29.9	Very low	136 Å²	136	158.3 Å²	158.3	73%	0.727	80%	0.804	S	S	*	*			trans	46.8	115.1	160.6	-54.2	-19.2	0	0	0	119.2
117	C	25.3	Very low	30.2	Very low	121 Å²	121	154.7 Å²	154.7	82%	0.818	80%	0.802	S	S	*	*			trans	-132.4	129.1	150.8	-162.5	0	0	0	0	110.2
118	L	27.1	Very low	30.5	Very low	157 Å²	157	154.6 Å²	154.6	82%	0.822	80%	0.799	S	S	*	*			trans	20.8	109.1	177.5	-77.3	86.1	0	0	0	120.5
119	K	24.8	Very low	31	Very low	205 Å²	205	153.7 Å²	153.7	89%	0.891	79%	0.793	S	S	*	*				-86.5	132.3	129.5	-79.3	179.7	172.8	179.3	0	108.6
120	Q	29.1	Very low	31.2	Very low	181 Å²	181	153.9 Å²	153.9	85%	0.846	80%	0.8	S	S	*	*			trans	-178.5	169.4	140	-105.7	175.2	18.2	0	0	110.9
121	L	31	Very low	31.2	Very low	158 Å²	158	154 Å²	154	83%	0.827	80%	0.801	S	S	*	*			trans	70.8	129.3	-171.6	-51	175.1	0	0	0	113.7
122	I	35.1	Very low	31.4	Very low	151 Å²	151	151.4 Å²	151.4	77%	0.774	80%	0.796	S	S	*	*			cis	-139.8	148.5	-7.6	-97	152.7	0	0	0	108.4
123	N	29	Very low	31.8	Very low	159 Å²	159	144.1 Å²	144.1	85%	0.85	78%	0.783	S	S	*	*			trans	-86.5	147.4	177	-75.7	-24.4	0	0	0	113
124	S	33.8	Very low	31.9	Very low	101 Å²	101	148.7 Å²	148.7	71%	0.706	79%	0.794	S	S	*	*				-173	131.8	124.7	43.9	0	0	0	0	113.6
125	N	35.1	Very low	32.1	Very low	149 Å²	149	146.2 Å²	146.2	80%	0.797	79%	0.786	S	S	*	*			trans	46.3	106.7	147.5	-50.2	-6.7	0	0	0	118.9
126	S	36.2	Very low	32.2	Very low	106 Å²	106	144.8 Å²	144.8	74%	0.741	79%	0.789	S	S	*	*				77.4	145.1	57.7	77.4	0	0	0	0	115.5
127	P	37	Very low	32.2	Very low	127 Å²	127	143.3 Å²	143.3	83%	0.825	79%	0.79	S	S	*	*			cis	-132.7	-173.7	-6.1	38.5	-18.5	0	0	0	115.7
128	Q	30.9	Very low	32.9	Very low	177 Å²	177	142.8 Å²	142.8	83%	0.827	79%	0.785	S	S	*	*			trans	-98.7	-163.1	178.2	-119.8	-173.5	5.6	0	0	110.8
129	P	39.7	Very low	33.3	Very low	91 Å²	91	144 Å²	144	59%	0.591	79%	0.786	S	S	*	*			cis	-133.5	-165.7	-33.2	36.9	-18.8	0	0	0	112
130	F	33.3	Very low	33.6	Very low	217 Å²	217	141.6 Å²	141.6	95%	0.952	78%	0.783	S	S	*	*			trans	-146.3	149.1	135.2	-122.2	-80.9	0	0	0	110.1
131	D	29.9	Very low	33.8	Very low	142 Å²	142	140.1 Å²	140.1	76%	0.759	79%	0.786	S	S	*	*			trans	-138.2	145.3	-159.2	-150.8	-15.3	0	0	0	112.2
132	S	33.5	Very low	33.8	Very low	106 Å²	106	140.3 Å²	140.3	74%	0.741	78%	0.783	S	S	*	*			trans	175.9	140.5	163.5	54.8	0	0	0	0	113
133	S	35	Very low	33.6	Very low	94 Å²	94	142.2 Å²	142.2	66%	0.657	79%	0.786	S	S	*	*			cis	-176.4	117.5	-33	42.8	0	0	0	0	110.7
134	Q	32.6	Very low	33.5	Very low	189 Å²	189	139 Å²	139	88%	0.883	78%	0.776	S	S	*	*			trans	66	163.3	158.6	-55.8	176.6	-2.5	0	0	114.9
135	I	35.4	Very low	33.3	Very low	143 Å²	143	140.3 Å²	140.3	73%	0.733	78%	0.779	S	S	*	*			cis	-149.8	133.9	41.6	-82.2	174.9	0	0	0	112.4
136	T	34.8	Very low	33.1	Very low	130 Å²	130	138.3 Å²	138.3	80%	0.798	78%	0.777	S	S	*	*			trans	43.6	124.4	156.4	62	0	0	0	0	124.5
137	S	28.4	Very low	32.8	Very low	106 Å²	106	141.7 Å²	141.7	74%	0.741	78%	0.783	S	S	*	*			trans	-89.7	-161	141.3	64.3	0	0	0	0	109.3
138	P	39.7	Very low	32.7	Very low	110 Å²	110	141.7 Å²	141.7	71%	0.714	78%	0.783	S	S	*	*			cis	-113.6	-141.5	-3.7	22.1	5.1	0	0	0	111.6
139	E	35.5	Very low	32.7	Very low	183 Å²	183	138.7 Å²	138.7	86%	0.855	78%	0.777	S	S	*	*			cis	-145.4	-177.1	13.6	-73.1	-172.7	143.8	0	0	112.8
140	D	30.7	Very low	32.4	Very low	153 Å²	153	143.1 Å²	143.1	82%	0.818	79%	0.79	S	S	*	*			trans	-86.7	158.4	-173.6	-63.6	-74.7	0	0	0	116.1
141	T	34.2	Very low	32.3	Very low	150 Å²	150	136.9 Å²	136.9	92%	0.92	77%	0.773	S	S	*	*			trans	-160.5	154.2	132.4	-0.3	0	0	0	0	113.4
142	Q	29.2	Very low	32.6	Very low	162 Å²	162	136 Å²	136	76%	0.757	78%	0.778	S	S	*	*			trans	-92.1	156.9	178.5	-58.8	167.3	-6.4	0	0	111.3
143	F	31.3	Very low	32.5	Very low	191 Å²	191	138.2 Å²	138.2	84%	0.838	78%	0.782	S	S	*	*				179.2	-175.1	113.4	-109.1	-82.8	0	0	0	111.8
144	S	27.7	Very low	32.5	Very low	91 Å²	91	141.7 Å²	141.7	64%	0.636	79%	0.791	S	S	*	*			trans	-157	158.7	-156.6	62	0	0	0	0	115.5
145	V	29.6	Very low	32.6	Very low	129 Å²	129	137 Å²	137	78%	0.782	78%	0.78	S	S	*	*			trans	88.2	142.4	159.3	-173.1	0	0	0	0	118.5
146	S	31.3	Very low	32.6	Very low	107 Å²	107	136.7 Å²	136.7	75%	0.748	78%	0.779	S	S	*	*			trans	71.3	133.2	159.1	50.5	0	0	0	0	122
147	M	28.6	Very low	32.7	Very low	177 Å²	177	139.1 Å²	139.1	87%	0.872	78%	0.779	S	S	*	*			trans	-77.8	162.9	150	-65.1	179.6	171.3	0	0	109.9
148	P	34.6	Very low	33.2	Very low	127 Å²	127	139.5 Å²	139.5	83%	0.825	78%	0.779	S	S	*	*				-139.8	172.9	102.9	39.1	-28.2	0	0	0	114.6
149	T	31	Very low	33	Very low	114 Å²	114	141.8 Å²	141.8	70%	0.699	79%	0.785	S	S	*	*			trans	-88.7	142.2	175.1	49.2	0	0	0	0	112.6
150	H	34.4	Very low	33	Very low	184 Å²	184	138.1 Å²	138.1	85%	0.852	78%	0.78	S	S	*	*				-169.7	170.3	124.6	-113.2	-75.4	0	0	0	114.3
151	S	31.8	Very low	33.2	Very low	87 Å²	87	139.9 Å²	139.9	61%	0.608	78%	0.78	S	S	*	*			trans	-95.1	153.5	-167.9	50.5	0	0	0	0	115.9
152	S	34.6	Very low	33.1	Very low	123 Å²	123	138.4 Å²	138.4	86%	0.86	77%	0.766	S	S	*	*			trans	-156	164.1	143.8	-31.5	0	0	0	0	111.5
153	N	32.2	Very low	33.3	Very low	153 Å²	153	139.6 Å²	139.6	82%	0.818	77%	0.769	S	S	*	*			trans	-108.6	-167.8	-168.1	-63.1	-22.8	0	0	0	113.8
154	I	34.9	Very low	33.5	Very low	166 Å²	166	137.8 Å²	137.8	85%	0.851	76%	0.763	S	S	*	*			trans	98.1	118.8	170	-55.9	159.3	0	0	0	112.3
155	S	35.6	Very low	33.6	Very low	92 Å²	92	140.2 Å²	140.2	64%	0.643	77%	0.768	S	S	*	*			cis	-157.6	-164	-11.4	55.2	0	0	0	0	108.8
156	D	35.5	Very low	33.9	Very low	135 Å²	135	142.2 Å²	142.2	72%	0.722	77%	0.769	S	S	*	*			cis	-160.2	-167	14.4	-135.6	-55.4	0	0	0	114.4
157	F	36.6	Very low	34	Very low	181 Å²	181	142.1 Å²	142.1	79%	0.794	76%	0.764	S	S	*	*			trans	-81.1	177	-172	-89.7	-128.4	0	0	0	117.5
158	P	38.7	Very low	34.3	Very low	114 Å²	114	138.9 Å²	138.9	74%	0.74	76%	0.755	S	S	*	*			cis	-142.9	-175	-20.1	33.9	-11.6	0	0	0	118.2
159	D	34	Very low	34.3	Very low	158 Å²	158	139.1 Å²	139.1	85%	0.845	75%	0.749	S	S	*	*			trans	-89	166.2	-174.4	-38	-100.3	0	0	0	119.7
160	S	35.8	Very low	34.6	Very low	106 Å²	106	141.9 Å²	141.9	74%	0.741	75%	0.753	S	S	*	*			trans	-159.2	121.4	140.1	60.6	0	0	0	0	110.6
161	K	35.1	Very low	34.7	Very low	191 Å²	191	138.6 Å²	138.6	83%	0.83	75%	0.747	S	S	*	*				67.3	138.7	83.7	-73.6	-177.3	-179.5	175.9	0	115
162	L	31.7	Very low	34.8	Very low	119 Å²	119	141.2 Å²	141.2	62%	0.623	75%	0.754	S	S	*	*			cis	-169.1	-169.5	-9.2	-159.9	106.4	0	0	0	109.8
163	F	34.2	Very low	34.9	Very low	187 Å²	187	143.6 Å²	143.6	82%	0.82	76%	0.756	S	S	*	*			trans	85.1	149.9	168.9	-65	-93.2	0	0	0	119.4
164	H	35.6	Very low	34.9	Very low	153 Å²	153	141.6 Å²	141.6	71%	0.708	75%	0.751	S	S	*	*				-164.6	158	-51.5	-129.2	-83	0	0	0	111
165	N	29.3	Very low	35	Very low	141 Å²	141	140.3 Å²	140.3	75%	0.754	75%	0.751	S	S	*	*			trans	-80.8	159.6	179.6	-62.2	-24.4	0	0	0	114.7
166	H	35.5	Very low	35	Very low	172 Å²	172	141.4 Å²	141.4	80%	0.796	75%	0.754	S	S	*	*			trans	161.2	145.9	137.6	-92.6	-68.4	0	0	0	109.9
167	T	33.9	Very low	34.9	Very low	104 Å²	104	140.2 Å²	140.2	64%	0.638	75%	0.752	S	S	*	*			cis	175.8	158	-27.2	22.9	0	0	0	0	106.8
168	T	35.2	Very low	34.6	Very low	110 Å²	110	138.9 Å²	138.9	68%	0.675	75%	0.753	S	S	*	*			trans	66.7	104.1	152.1	50.5	0	0	0	0	122.7
169	D	34.8	Very low	34.2	Very low	132 Å²	132	136.7 Å²	136.7	71%	0.706	75%	0.751	S	S	*	*				102.8	135.2	110.4	-61.4	-13.8	0	0	0	125.7
170	H	37.9	Very low	34.1	Very low	171 Å²	171	134.8 Å²	134.8	79%	0.792	75%	0.75	S	S	*	*			trans	97	132.1	147.3	-74.2	-51.6	0	0	0	124.8
171	T	36.1	Very low	33.7	Very low	116 Å²	116	140 Å²	140	71%	0.712	76%	0.76	S	S	*	*			trans	76.8	86.9	154.6	47	0	0	0	0	122
172	D	34.7	Very low	33.4	Very low	141 Å²	141	139 Å²	139	75%	0.754	76%	0.758	S	S	*	*				43.1	115.3	118.4	-46.8	-31.8	0	0	0	121.8
173	L	35.8	Very low	33.3	Very low	173 Å²	173	138 Å²	138	91%	0.906	77%	0.767	S	S	*	*				-167.7	159	96	-116	100.8	0	0	0	111
174	P	32.9	Very low	33.1	Very low	112 Å²	112	139.1 Å²	139.1	73%	0.727	77%	0.772	S	S	*	*			trans	-110.6	140.5	-161.3	38	-31	0	0	0	116.6
175	V	36.3	Very low	32.7	Very low	139 Å²	139	140.7 Å²	140.7	84%	0.842	78%	0.777	S	S	*	*			trans	-138.2	115.6	156.3	-178.1	0	0	0	0	110.5
176	T	35.9	Very low	32.7	Very low	115 Å²	115	142.4 Å²	142.4	71%	0.706	78%	0.784	S	S	*	*			trans	-10.5	114.4	170.4	55	0	0	0	0	120.2
177	T	32.6	Very low	32.4	Very low	110 Å²	110	141.5 Å²	141.5	68%	0.675	78%	0.784	S	S	*	*				24	142.7	107.3	63.3	0	0	0	0	118.8
178	D	30.3	Very low	32.3	Very low	152 Å²	152	143.8 Å²	143.8	81%	0.813	79%	0.792	S	S	*	*			cis	-168.2	166.1	-7.8	-116.8	-42.1	0	0	0	111.6
179	G	30.8	Very low	32.1	Very low	69 Å²	69	146.3 Å²	146.3	71%	0.711	80%	0.802	S	S	*	*			trans	46.5	139.5	138.4	0	0	0	0	0	122.3
180	S	31.1	Very low	32.1	Very low	118 Å²	118	144.9 Å²	144.9	83%	0.825	80%	0.8	S	S	*	*			cis	-162	150.5	-0.5	50.4	0	0	0	0	109.8
181	F	29	Very low	31.7	Very low	214 Å²	214	144 Å²	144	94%	0.939	80%	0.8	S	S	*	*			trans	-122.3	47.1	-173.6	-152.7	-86.8	0	0	0	111.3
182	E	28.6	Very low	31.5	Very low	171 Å²	171	146.3 Å²	146.3	80%	0.799	81%	0.808	S	S	*	*			trans	-124.5	115.3	174.9	-75.3	-145.8	125.2	0	0	112.1
183	A	28.6	Very low	31.2	Very low	97 Å²	97	145.9 Å²	145.9	80%	0.802	81%	0.806	S	S	*	*			trans	-149.6	33.6	171.6	0	0	0	0	0	111.7
184	F	29.5	Very low	30.9	Very low	212 Å²	212	145.2 Å²	145.2	93%	0.93	80%	0.803	S	S	*	*	S	Bend	trans	-148.7	48.3	-175.7	-119.3	-73.7	0	0	0	114.6
185	K	28	Very low	30.8	Very low	186 Å²	186	150.9 Å²	150.9	81%	0.809	81%	0.812	S	S	*	*			trans	-152.5	170.6	167.7	-112.6	169.5	-174.4	173.9	0	111
186	I	30.3	Very low	30.5	Very low	176 Å²	176	149.5 Å²	149.5	90%	0.903	80%	0.803	S	S	*	*			trans	82.3	73.9	-170.8	-51.9	161.7	0	0	0	113
187	L	28.2	Very low	30.1	Very low	154 Å²	154	150 Å²	150	81%	0.806	81%	0.808	S	S	*	*			trans	-137.9	139.8	147.1	-133.9	168	0	0	0	105.4
188	N	31.5	Very low	30.2	Very low	151 Å²	151	150.9 Å²	150.9	81%	0.807	81%	0.814	S	S	*	*			trans	66.6	99.6	-170.8	-52.6	-25.2	0	0	0	115.8
189	N	32.4	Very low	30.1	Very low	163 Å²	163	151.6 Å²	151.6	87%	0.872	81%	0.813	S	S	*	*			trans	-150	136.9	130.2	-126.4	2.7	0	0	0	108.8
190	P	33	Very low	30.1	Very low	103 Å²	103	156.4 Å²	156.4	67%	0.669	82%	0.822	S	S	*	*			trans	-91.4	160.6	-176.8	36.5	-34.7	0	0	0	112.6
191	L	30.8	Very low	30	Very low	152 Å²	152	158 Å²	158	80%	0.796	82%	0.816	S	S	*	*			trans	44.8	107.5	154	-65.9	168.4	0	0	0	117.8
192	D	32	Very low	30	Very low	165 Å²	165	157.1 Å²	157.1	88%	0.882	81%	0.812	S	S	*	*			trans	-132.7	124.6	140.7	-139.5	-24	0	0	0	109.8
193	N	28.3	Very low	30	Very low	132 Å²	132	157.2 Å²	157.2	71%	0.706	81%	0.812	S	S	*	*			trans	-109.4	99.9	-176.7	-91.4	-31.2	0	0	0	108.2
194	N	28.7	Very low	30.2	Very low	158 Å²	158	163 Å²	163	85%	0.845	82%	0.815	S	S	*	*			trans	-179.5	101.2	150.7	-93.8	-36.4	0	0	0	111.3
195	Y	30.4	Very low	30.1	Very low	232 Å²	232	164.9 Å²	164.9	91%	0.91	82%	0.816	S	S	*	*			trans	-152.9	147.6	142	-127.2	-83.5	0	0	0	110.6
196	T	29.8	Very low	30.2	Very low	109 Å²	109	160.8 Å²	160.8	67%	0.669	81%	0.811	S	S	*	*			trans	-85.3	145.1	-163.1	46.2	0	0	0	0	114.1	T198	T196-T198 PolarHBondContact O-N 2.81Å
197	P	28.4	Very low	30.2	Very low	125 Å²	125	160.3 Å²	160.3	81%	0.812	81%	0.809	S	S	*	*			trans	-80.1	106.6	167.9	32.1	-31.3	0	0	0	110
198	T	34.3	Very low	30.5	Very low	130 Å²	130	161.6 Å²	161.6	80%	0.798	81%	0.811	S	S	*	*			trans	-71.5	137.4	165.7	47.2	0	0	0	0	110.4	T196	T196-T198 PolarHBondContact O-N 2.81Å
199	E	29.3	Very low	30.5	Very low	166 Å²	166	161.8 Å²	161.8	78%	0.776	81%	0.812	S	S	*	*			trans	-67.6	133.1	-178.1	-59.7	-169.2	113.8	0	0	112.9
200	D	30.7	Very low	30.5	Very low	171 Å²	171	159.8 Å²	159.8	91%	0.914	81%	0.806	S	S	*	*			trans	-143	71.5	148.4	-133.2	-21.3	0	0	0	108.6
201	H	29.1	Very low	30.5	Very low	152 Å²	152	163 Å²	163	70%	0.704	82%	0.815	S	S	*	*			trans	-96.3	149.1	-172.7	-106.5	-74.6	0	0	0	111.8
202	K	27.9	Very low	30.5	Very low	195 Å²	195	164.5 Å²	164.5	85%	0.848	82%	0.819	S	S	*	*			trans	90.7	65.3	167.8	-52.7	161.4	-175.8	165.1	0	117.9
203	Q	29.3	Very low	30.6	Very low	172 Å²	172	164.5 Å²	164.5	80%	0.804	82%	0.819	S	S	*	*	S	Bend	trans	-155.6	168.9	133.3	-110	164.7	31.5	0	0	110.7
204	Y	31.7	Very low	30.5	Very low	220 Å²	220	161.6 Å²	161.6	86%	0.863	82%	0.819	S	S	*	*	S	Bend	trans	65.5	41	178.6	-62.2	-82.5	0	0	0	118.6
205	R	27.3	Very low	30.6	Very low	250 Å²	250	163 Å²	163	94%	0.943	82%	0.818	S	S	*	*	S	Bend	trans	-141.8	72.6	154.6	-78.7	-163	-178.1	-179.2	3.1	112.6
206	S	30.1	Very low	30.6	Very low	101 Å²	101	161 Å²	161	71%	0.706	82%	0.815	S	S	*	*	S	Bend	trans	-163.4	12.1	168.3	62.7	0	0	0	0	115.6
207	L	30.8	Very low	30.7	Very low	166 Å²	166	160.7 Å²	160.7	87%	0.869	81%	0.814	S	S	*	*	S	Bend	trans	-116.4	48.9	-167.7	-150.3	82.8	0	0	0	113.8
208	H	34.3	Very low	30.5	Very low	180 Å²	180	166.1 Å²	166.1	83%	0.833	82%	0.82	S	S	*	*	S	Bend	trans	-138.3	-15.7	173.5	-112.2	-76	0	0	0	115.4
209	D	31.9	Very low	30.4	Very low	156 Å²	156	166 Å²	166	83%	0.834	82%	0.82	S	S	*	*	S	Bend	trans	-114.2	33.8	-174.2	-55.6	-65.2	0	0	0	112.9
210	T	32.1	Very low	30.4	Very low	121 Å²	121	167.1 Å²	167.1	74%	0.742	82%	0.822	S	S	*	*			trans	-148.5	47.5	-178.5	-35.9	0	0	0	0	112.9
211	I	33.5	Very low	30.4	Very low	170 Å²	170	168.2 Å²	168.2	87%	0.872	82%	0.824	S	S	*	*			trans	-133.4	58.6	163.8	-45.5	-179.3	0	0	0	109.6
212	Q	31.1	Very low	30.3	Very low	184 Å²	184	167.9 Å²	167.9	86%	0.86	83%	0.827	S	S	*	*			trans	-111.3	167.2	145.5	-72.9	-175.6	-38.4	0	0	107.3
213	D	32.9	Very low	30.3	Very low	165 Å²	165	163.8 Å²	163.8	88%	0.882	82%	0.823	S	S	*	*	S	Bend	trans	63.8	74.8	-179.3	-60.2	-21.4	0	0	0	117.9
214	G	28	Very low	30.4	Very low	70 Å²	70	165 Å²	165	72%	0.722	83%	0.829	S	S	*	*				59.7	119.9	105.6	0	0	0	0	0	121.4
215	K	29.1	Very low	30.2	Very low	187 Å²	187	161 Å²	161	81%	0.813	83%	0.827	S	S	*	*			trans	76	118.5	160.6	-50.9	171.3	-176.3	171.3	0	117.1
216	F	30.5	Very low	30.5	Very low	192 Å²	192	157.1 Å²	157.1	84%	0.842	82%	0.823	S	S	*	*				177.1	167	106.4	-94.2	-62.5	0	0	0	109.1
217	P	31.8	Very low	30.7	Very low	102 Å²	102	157.7 Å²	157.7	66%	0.662	83%	0.825	S	S	*	*			trans	-123.4	174.6	-130.5	37.7	-19.8	0	0	0	115.9
218	Y	25.8	Very low	30.6	Very low	238 Å²	238	156.6 Å²	156.6	93%	0.933	82%	0.82	S	S	*	*			trans	-77.3	135.3	164.3	-70.8	-83.9	0	0	0	111.3
219	T	31.9	Very low	30.5	Very low	129 Å²	129	155.6 Å²	155.6	79%	0.791	82%	0.821	S	S	*	*			trans	-123.9	134.7	168.3	-35.9	0	0	0	0	110
220	K	28.3	Very low	30.6	Very low	189 Å²	189	151.8 Å²	151.8	82%	0.822	81%	0.811	S	S	*	*			trans	-76.4	148.4	171.4	-63.5	173	179.8	174	0	109.7
221	M	30.2	Very low	30.7	Very low	194 Å²	194	150.7 Å²	150.7	96%	0.956	81%	0.808	S	S	*	*			trans	-106.1	117	152.2	-83.5	-174.4	165.5	0	0	108.8
222	N	28.2	Very low	30.6	Very low	145 Å²	145	149.2 Å²	149.2	78%	0.775	80%	0.802	S	S	*	*			trans	-128.3	142.3	165.3	-111.9	29.1	0	0	0	107.4
223	S	27	Very low	30.8	Very low	109 Å²	109	147.9 Å²	147.9	76%	0.762	80%	0.801	S	S	*	*			trans	-11.8	125.6	163.3	55.1	0	0	0	0	118.4
224	Q	31.8	Very low	30.6	Very low	198 Å²	198	144.6 Å²	144.6	93%	0.925	79%	0.791	S	S	*	*			trans	-149.5	146.3	146.4	-122.2	171.1	2.6	0	0	111.4
225	T	27.7	Very low	30.9	Very low	135 Å²	135	149.2 Å²	149.2	83%	0.828	80%	0.798	S	S	*	*			trans	-105	140.5	-169.2	44.5	0	0	0	0	112.4
226	I	32.5	Very low	31	Very low	168 Å²	168	148.7 Å²	148.7	86%	0.862	80%	0.798	S	S	*	*			trans	-135.6	144	169	-68.5	-173.8	0	0	0	107.2
227	P	35.2	Very low	31.3	Very low	114 Å²	114	144.1 Å²	144.1	74%	0.74	79%	0.788	S	S	*	*			trans	-108.2	-171.7	-138.1	42	-38.1	0	0	0	116.7
228	D	28.3	Very low	31.3	Very low	142 Å²	142	146.1 Å²	146.1	76%	0.759	80%	0.798	S	S	*	*			trans	-62.7	151.1	-169.9	-41	-89.3	0	0	0	116.1
229	N	33	Very low	31.6	Very low	160 Å²	160	141.5 Å²	141.5	86%	0.856	79%	0.789	S	S	*	*				-170.6	150.1	109.4	-107.3	-66.4	0	0	0	117
230	A	33.9	Very low	31.9	Very low	76 Å²	76	143.7 Å²	143.7	63%	0.628	80%	0.795	S	S	*	*			trans	58.3	99.3	144.5	0	0	0	0	0	123.1
231	S	34.2	Very low	32.1	Very low	98 Å²	98	141.3 Å²	141.3	69%	0.685	79%	0.786	S	S	*	*				93.8	129.8	114	76.3	0	0	0	0	123
232	N	31.8	Very low	32.2	Very low	139 Å²	139	138.8 Å²	138.8	74%	0.743	77%	0.77	S	S	*	*			trans	56.3	114.4	137.8	-55.7	-4.4	0	0	0	119.1
233	N	35	Very low	32.3	Very low	155 Å²	155	137.7 Å²	137.7	83%	0.829	76%	0.764	S	S	*	*				-163.5	165.2	63.6	-98.3	-42	0	0	0	115.8
234	S	28.6	Very low	32.4	Very low	97 Å²	97	142.2 Å²	142.2	68%	0.678	77%	0.766	S	S	*	*			trans	-72.3	158	-176.4	54.8	0	0	0	0	117.2
235	I	34.7	Very low	32.2	Very low	167 Å²	167	140.3 Å²	140.3	86%	0.856	76%	0.762	S	S	*	*				-170.4	153.9	113.1	-94	153.8	0	0	0	110.9
236	Q	30.4	Very low	32.3	Very low	176 Å²	176	141.8 Å²	141.8	82%	0.822	76%	0.759	S	S	*	*			trans	-114.8	-157	-175	-70.9	-168.8	-16.2	0	0	111.6
237	P	36	Very low	32.1	Very low	96 Å²	96	140.7 Å²	140.7	62%	0.623	76%	0.761	S	S	*	*				-128.7	-172.1	-78.3	39.4	-24	0	0	0	112.7
238	T	33.7	Very low	31.7	Very low	144 Å²	144	141.7 Å²	141.7	88%	0.883	76%	0.759	S	S	*	*			trans	-166.5	163.9	133.5	9	0	0	0	0	112.7
239	N	31	Very low	31.7	Very low	140 Å²	140	139.7 Å²	139.7	75%	0.749	76%	0.757	S	S	*	*			trans	-108	165.4	-169.1	-55.7	-46	0	0	0	113.4
240	I	37.7	Very low	31.4	Very low	176 Å²	176	138.5 Å²	138.5	90%	0.903	76%	0.755	S	S	*	*			trans	-150.8	146	133.4	-103	153.1	0	0	0	109.1
241	E	32.8	Very low	31.3	Very low	139 Å²	139	143.9 Å²	143.9	65%	0.65	77%	0.77	S	S	*	*			trans	-103.7	-172.6	-172.1	-46.6	179	102.6	0	0	111.1
242	K	31.9	Very low	30.9	Very low	141 Å²	141	144 Å²	144	61%	0.613	77%	0.771	S	S	*	*			cis	-166.9	162.4	7.7	-141.2	157.1	-165.1	149.5	0	110.1
243	N	30.5	Very low	30.6	Very low	122 Å²	122	146.5 Å²	146.5	65%	0.652	78%	0.775	S	S	*	*			trans	65.5	162.2	155.5	-65.8	-20	0	0	0	118.6
244	Y	30.3	Very low	30.2	Very low	203 Å²	203	147.6 Å²	147.6	80%	0.796	77%	0.772	S	S	*	*			cis	-133.8	145.8	5.7	-120.3	-66.1	0	0	0	111.5
245	N	27.2	Very low	30.1	Very low	158 Å²	158	150.6 Å²	150.6	85%	0.845	78%	0.776	S	S	*	*			trans	-155.7	84.4	173.8	-146.2	2.4	0	0	0	111.8
246	Q	28.6	Very low	29.8	Very low	166 Å²	166	147.9 Å²	147.9	78%	0.776	77%	0.767	S	S	*	*			trans	172.3	120.7	163.6	-106.4	179	7.4	0	0	111.7
247	V	29.3	Very low	29.7	Very low	146 Å²	146	145.1 Å²	145.1	89%	0.885	76%	0.757	S	S	*	*			trans	-148.8	132.3	140.7	-179.4	0	0	0	0	107
248	N	26.9	Very low	29.2	Very low	134 Å²	134	145.6 Å²	145.6	72%	0.717	76%	0.758	S	S	*	*			trans	-98.1	149.4	179.4	-79.3	-34.3	0	0	0	112.5
249	S	27.4	Very low	28.8	Very low	100 Å²	100	143.6 Å²	143.6	70%	0.699	74%	0.743	S	S	*	*			trans	35.3	112.7	147.4	62.7	0	0	0	0	120
250	T	27.2	Very low	28.8	Very low	135 Å²	135	145.5 Å²	145.5	83%	0.828	74%	0.744	S	S	*	*				177.8	163.3	110.3	30.1	0	0	0	0	111.9
251	M	31.3	Very low	28.1	Very low	189 Å²	189	143.9 Å²	143.9	93%	0.931	74%	0.738	S	S	*	*			trans	61.8	157	179.3	-58.4	-162.8	-177.7	0	0	117.5
252	S	27.1	Very low	27.9	Very low	101 Å²	101	144 Å²	144	71%	0.706	74%	0.738	S	S	*	*			cis	-170.1	133.2	-44.2	-174.9	0	0	0	0	107.5
253	K	25.6	Very low	27.8	Very low	192 Å²	192	145.9 Å²	145.9	84%	0.835	75%	0.747	S	S	*	*			trans	12.6	109.6	160.2	-63	171	177.3	172.7	0	118
254	K	26.3	Very low	27.7	Very low	177 Å²	177	144.2 Å²	144.2	77%	0.77	74%	0.742	S	S	*	*				168.9	133.7	119.6	-96.3	163.6	173.3	-175.9	0	114.2
255	Q	26.5	Very low	27.8	Very low	161 Å²	161	140.6 Å²	140.6	75%	0.752	74%	0.744	S	S	*	*			trans	64.4	165	147	-58	164.5	-93.9	0	0	114.8
256	T	28.2	Very low	28	Very low	110 Å²	110	139.4 Å²	139.4	68%	0.675	74%	0.743	S	S	*	*			cis	-135.2	151.2	6	-45.7	0	0	0	0	110.9	T258	T256-T258 HydrophobicContact CG2-CG2 3.97Å; T256-T258 WeakPolarHBondContact CG2-OG1 3.34Å
257	L	28	Very low	28.2	Very low	118 Å²	118	137.6 Å²	137.6	62%	0.618	75%	0.745	S	S	*	*			trans	-112.6	86	174.5	-170.2	160.5	0	0	0	108.3
258	T	25	Very low	28.1	Very low	105 Å²	105	134.5 Å²	134.5	64%	0.644	74%	0.743	S	S	*	*			trans	-154.3	179.9	-179.3	52.3	0	0	0	0	112.1	T256	T256-T258 HydrophobicContact CG2-CG2 3.97Å; T256-T258 WeakPolarHBondContact CG2-OG1 3.34Å
259	N	27.1	Very low	28	Very low	103 Å²	103	131.6 Å²	131.6	55%	0.551	74%	0.744	S	S	*	*			trans	71.8	70.8	170.4	-55.8	46.8	0	0	0	115.1	D261 E262	N259-D261 VanDerWaalsContact C-N 3.27Å; N259-E262 PolarHBondContact ND2-OE2 3.48Å
260	F	29	Very low	28	Very low	180 Å²	180	132.6 Å²	132.6	79%	0.789	75%	0.751	S	S	*	*	S	Bend	trans	-99.2	29.5	149.7	-122.9	-82.3	0	0	0	110.8
261	D	24.5	Very low	28	Very low	142 Å²	142	134.5 Å²	134.5	76%	0.759	75%	0.749	S	S	*	*			trans	-145.8	98.6	-178.8	-81.8	-60.2	0	0	0	107.6	N259	N259-D261 VanDerWaalsContact C-N 3.27Å
262	E	27.9	Very low	27.9	Very low	142 Å²	142	130.7 Å²	130.7	66%	0.664	74%	0.741	S	S	*	*			trans	-171.2	134.2	155.3	-110.7	171.4	139.7	0	0	112.8	N259	N259-E262 PolarHBondContact ND2-OE2 3.48Å
263	F	29	Very low	28.1	Very low	179 Å²	179	135 Å²	135	79%	0.785	75%	0.749	S	S	*	*			trans	49	127	166.4	-65.5	-76.4	0	0	0	122.6
264	P	29.5	Very low	28.9	Very low	87 Å²	87	132.7 Å²	132.7	57%	0.565	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-78	155.9	154.6	35.5	-33.1	0	0	0	111
265	P	32.3	Very low	29.7	Very low	127 Å²	127	127.5 Å²	127.5	83%	0.825	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-70.6	148.5	173.9	30.6	-35	0	0	0	111.9
266	T	31.7	Very low	30.9	Very low	134 Å²	134	129.5 Å²	129.5	82%	0.822	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-72	143.3	173.5	37.6	0	0	0	0	112	G268	T266-G268 PolarHBondContact O-N 2.88Å
267	P	31.5	Very low	32.6	Very low	128 Å²	128	126.2 Å²	126.2	83%	0.831	72%	0.716	S	S	*	*	S	Bend	trans	-79	101.1	177.9	30.9	-33	0	0	0	110.8
268	G	27	Very low	34.3	Very low	81 Å²	81	125.7 Å²	125.7	84%	0.835	72%	0.723	S	S	*	*			trans	179.6	74.5	179.1	0	0	0	0	0	114.1	T266	T266-G268 PolarHBondContact O-N 2.88Å
269	G	26.6	Very low	36.5	Very low	72 Å²	72	121.3 Å²	121.3	74%	0.742	70%	0.698	S	S	*	*	S	Bend	trans	177	137	176.8	0	0	0	0	0	113.1	F271	G269-F271 PolarHBondContact O-N 3.5Å
270	S	26.2	Very low	39.3	Very low	122 Å²	122	116.5 Å²	116.5	85%	0.853	67%	0.673	S	S	*	*			trans	-50.9	116.6	-175.8	32.4	0	0	0	0	114.5	S272	S270-S272 VanDerWaalsContact C-N 3.35Å; S270-S272 PolarHBondContact O-N 2.84Å
271	F	26.9	Very low	42.2	Very low	175 Å²	175	110.7 Å²	110.7	77%	0.768	65%	0.647	S	S	*	*			trans	-76.3	73.6	-174.1	-163.6	-96.9	0	0	0	112.6	G269	G269-F271 PolarHBondContact O-N 3.5Å
272	S	29.7	Very low	45.4	Very low	109 Å²	109	104 Å²	104	76%	0.762	61%	0.611	S	S	*	*			trans	-130.6	9.1	-177.3	-152.8	0	0	0	0	115.3	S270	S270-S272 VanDerWaalsContact C-N 3.35Å; S270-S272 PolarHBondContact O-N 2.84Å
273	Q	30.9	Very low	48.5	Very low	190 Å²	190	97.2 Å²	97.2	89%	0.888	58%	0.579	S	S	*	*			trans	-129.9	93.6	167.7	-65.8	-168.6	14.4	0	0	110	G275	Q273-G275 PolarHBondContact O-N 3.1Å; Q273-G275 VanDerWaalsContact O-N 3.12Å
274	R	42.1	Very low	51.6	Low	144 Å²	144	88.7 Å²	88.7	54%	0.543	54%	0.542	S	S	.	.			trans	-62.1	114	172.2	-81.7	-178.2	171.7	159.9	-4	108.8	D406	R274-D406 IonicContact CZ-OD1 2.7Å; R274-D406 IonicContact NH2-OD1 2.77Å; R274-D406 PolarHBondContact NH2-OD1 2.94Å
275	G	43.7	Very low	54.6	Low	68 Å²	68	85 Å²	85	70%	0.701	52%	0.517	S	S	*	.			trans	-55.1	137.6	-175.6	0	0	0	0	0	113.1	Q273 I277	Q273-G275 PolarHBondContact O-N 3.1Å; Q273-G275 VanDerWaalsContact O-N 3.12Å; G275-I277 PolarHBondContact O-N 3.44Å; G275-I277 VanDerWaalsContact O-N 3.16Å
276	K	52.9	Low	57.4	Low	203 Å²	203	83.2 Å²	83.2	88%	0.883	50%	0.498	S	S	*	.			trans	-72.5	106.5	-178.5	-168.2	177.7	-174.5	179.5	0	109.7	S278	K276-S278 PolarHBondContact O-N 2.87Å
277	I	62.2	Low	60.4	Low	41 Å²	41	76.9 Å²	76.9	21%	0.21	46%	0.459	C	S	.	.			trans	-62.2	119.3	-179.8	-58.5	176.5	0	0	0	108.9	G275 G279 R479	G275-I277 PolarHBondContact O-N 3.44Å; G275-I277 VanDerWaalsContact O-N 3.16Å; I277-G279 PolarHBondContact O-N 3.4Å; I277-R479 HydrophobicContact CD1-CG 4.48Å; I277-R479 HydrophobicContact CG2-CG 4.49Å
278	S	65.1	Low	63.3	Low	108 Å²	108	72 Å²	72	76%	0.755	43%	0.428	S	S	*	.			trans	-76.7	103.5	173.1	-169.9	0	0	0	0	109.4	K276	K276-S278 PolarHBondContact O-N 2.87Å
279	G	71.3	Confident	66.4	Low	12 Å²	12	68.9 Å²	68.9	12%	0.124	39%	0.391	C	S	.	.			trans	-67.2	147.8	171.6	0	0	0	0	0	112.1	I277 G478	I277-G279 PolarHBondContact O-N 3.4Å; G279-G478 WeakPolarHBondContact CA-O 3.49Å; G279-G478 PolarHBondContact N-O 2.95Å; G279-G478 VanDerWaalsContact N-O 3.11Å
280	A	84.8	Confident	69.5	Low	3 Å²	3	69.2 Å²	69.2	3%	0.025	37%	0.373	C	S	.	.			trans	-90.9	135.4	-179.8	0	0	0	0	0	111.7	L282 I351 D352 P448 V449 T480	A280-L282 PolarHBondContact O-N 3.39Å; A280-I351 HydrophobicContact CB-CG2 3.63Å; A280-D352 WeakPolarHBondContact CA-OD1 3.43Å; A280-D352 VanDerWaalsContact CA-OD2 3.32Å; A280-D352 WeakPolarHBondContact CA-OD2 3.42Å; A280-D352 WeakPolarHBondContact CB-OD2 3.44Å; A280-P448 HydrophobicContact CB-CB 4.32Å; A280-V449 HydrophobicContact CB-CG2 3.89Å; A280-T480 PolarHBondContact N-OG1 3.04Å; A280-T480 WeakPolarHBondContact O-CB 3.3Å; A280-T480 PolarHBondContact O-OG1 2.83Å
281	K	90.4	Very high	72.4	Confident	58 Å²	58	65.3 Å²	65.3	25%	0.252	34%	0.344	S	S	.	.			trans	-78.4	107.5	169.2	-174.6	-176.5	-174	-180	0	108.7	I313 D352 E591 I595	K281-I313 HydrophobicContact CD-CG2 4.34Å; K281-I313 HydrophobicContact CG-CG2 4.06Å; K281-D352 PolarHBondContact N-OD1 2.8Å; K281-D352 PolarHBondContact O-N 2.97Å; K281-E591 WeakPolarHBondContact CE-OE1 3.23Å; K281-E591 IonicContact NZ-OE1 3.22Å; K281-E591 PolarHBondContact NZ-OE1 3.12Å; K281-I595 HydrophobicContact CD-CD1 4.39Å
282	L	92.5	Very high	75.2	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	133.3	174.5	-166	155.1	0	0	0	108.9	A280 F284 L314 L336 V349 V449 F451 I482	A280-L282 PolarHBondContact O-N 3.39Å; L282-F284 HydrophobicContact CD2-CD1 4.04Å; L282-L314 HydrophobicContact CB-CB 4.43Å; L282-L314 HydrophobicContact CD2-CD1 4.41Å; L282-L314 PolarHBondContact N-O 3.3Å; L282-L314 PolarHBondContact O-N 2.91Å; L282-L336 HydrophobicContact CD2-CD1 4.29Å; L282-L336 HydrophobicContact CD2-CD2 4.06Å; L282-V349 HydrophobicContact CD2-CG1 4.11Å; L282-V349 HydrophobicContact CG-CG1 4.36Å; L282-V449 HydrophobicContact CD1-CG1 4.32Å; L282-F451 HydrophobicContact CD1-CE1 4.23Å; L282-F451 HydrophobicContact CD1-CZ 3.85Å; L282-I482 HydrophobicContact CD1-CD1 4.15Å
283	S	93.2	Very high	77.7	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	140.1	172.8	56	0	0	0	0	110	H285 G312 L350	S283-H285 WeakPolarHBondContact CB-NE2 3.24Å; S283-H285 PolarHBondContact OG-NE2 3.43Å; S283-G312 WeakPolarHBondContact CA-O 3.26Å; S283-L350 PolarHBondContact N-O 3.27Å; S283-L350 PolarHBondContact O-N 3.14Å; S283-L350 PolarHBondContact OG-O 3.34Å
284	F	93.9	Very high	79.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	137.7	179.6	53.9	-95	0	0	0	109.4	L282 I287 V310 S311 G312 L314 L336 V349 I507	L282-F284 HydrophobicContact CD2-CD1 4.04Å; F284-I287 HydrophobicContact CB-CG1 3.87Å; F284-V310 HydrophobicContact CD2-CG1 3.88Å; F284-V310 WeakPolarHBondContact CD2-O 3.43Å; F284-V310 HydrophobicContact CE2-CG1 3.48Å; F284-V310 VanDerWaalsContact CE2-CG1 3.48Å; F284-V310 HydrophobicContact CZ-CG1 4.46Å; F284-S311 CarbonylContact O-C 3.51Å; F284-S311 VanDerWaalsContact O-CA 3.31Å; F284-S311 WeakPolarHBondContact O-CA 3.43Å; F284-G312 VanDerWaalsContact CD2-N 3.35Å; F284-G312 PolarHBondContact N-O 3.36Å; F284-G312 PolarHBondContact O-N 3.36Å; F284-L314 HydrophobicContact CD1-CD1 4.45Å; F284-L314 HydrophobicContact CE1-CD1 3.94Å; F284-L314 HydrophobicContact CE1-CD2 4.31Å; F284-L314 HydrophobicContact CE1-CG 3.89Å; F284-L336 HydrophobicContact CB-CD2 3.59Å; F284-L336 HydrophobicContact CD1-CD1 3.97Å; F284-L336 HydrophobicContact CD1-CD2 3.71Å; F284-L336 HydrophobicContact CE1-CD1 4.14Å; F284-L336 HydrophobicContact CG-CD2 3.79Å; F284-V349 HydrophobicContact CB-CG2 4.44Å; F284-I507 HydrophobicContact CE2-CD1 4.23Å
285	H	92.3	Very high	81	Confident	9 Å²	9	57.5 Å²	57.5	4%	0.042	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	114.6	-162.1	-54.1	-123.4	0	0	0	108.3	S283 I287 G347 K348 V592	S283-H285 WeakPolarHBondContact CB-NE2 3.24Å; S283-H285 PolarHBondContact OG-NE2 3.43Å; H285-I287 VanDerWaalsContact C-N 3.33Å; H285-I287 PolarHBondContact O-N 3.46Å; H285-G347 CarbonylContact O-C 3.58Å; H285-G347 VanDerWaalsContact O-CA 3.23Å; H285-G347 WeakPolarHBondContact O-CA 3.15Å; H285-K348 HydrophobicContact CB-CB 4.26Å; H285-K348 PolarHBondContact CD2-O 2.8Å; H285-K348 PolarHBondContact N-O 3.13Å; H285-K348 PolarHBondContact O-N 2.99Å; H285-V592 HydrophobicContact CB-CG1 4.26Å; H285-V592 PolarHBondContact CE1-O 2.58Å; H285-V592 WeakPolarHBondContact ND1-CG1 3.4Å
286	H	91.5	Very high	82.3	Confident	90 Å²	90	57.1 Å²	57.1	42%	0.417	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.1	48.6	174.7	-60.4	-71.3	0	0	0	113.5	S288 D309 S311 G347	H286-S288 PolarHBondContact O-N 3.45Å; H286-D309 WeakPolarHBondContact CA-OD1 3.3Å; H286-D309 WeakPolarHBondContact CB-OD1 3.29Å; H286-D309 IonicContact CE1-OD1 2.99Å; H286-D309 IonicContact CE1-OD2 3.48Å; H286-D309 IonicContact CG-OD1 3.39Å; H286-D309 VanDerWaalsContact CG-OD1 3.3Å; H286-D309 VanDerWaalsContact ND1-CG 3.32Å; H286-D309 IonicContact ND1-OD1 3.05Å; H286-D309 PolarHBondContact ND1-OD1 3.14Å; H286-D309 IonicContact ND1-OD2 3.51Å; H286-D309 PolarHBondContact ND1-OD2 2.87Å; H286-D309 VanDerWaalsContact ND1-OD2 3.15Å; H286-S311 PolarHBondContact N-OG 3.44Å; H286-G347 WeakPolarHBondContact O-CA 3.23Å; H286-G347 PolarHBondContact O-N 3.12Å
287	I	92.8	Very high	83.1	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	109.8	-176.9	-61.6	-61.6	0	0	0	110.4	F284 H285 L307 D309 V310 V335 L345 S346 V349	F284-I287 HydrophobicContact CB-CG1 3.87Å; H285-I287 VanDerWaalsContact C-N 3.33Å; H285-I287 PolarHBondContact O-N 3.46Å; I287-L307 HydrophobicContact CG2-CD1 4.08Å; I287-D309 PolarHBondContact O-N 2.8Å; I287-V310 HydrophobicContact CB-CB 4.17Å; I287-V310 WeakPolarHBondContact CB-O 3.27Å; I287-V310 PolarHBondContact N-O 3.23Å; I287-V310 PolarHBondContact O-N 3.04Å; I287-V335 HydrophobicContact CG2-CG1 3.78Å; I287-L345 HydrophobicContact CG2-CD1 4.03Å; I287-S346 WeakPolarHBondContact CA-O 3.03Å; I287-V349 HydrophobicContact CD1-CG2 3.75Å
288	S	93.2	Very high	83.5	Confident	27 Å²	27	54.5 Å²	54.5	19%	0.189	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138	165.8	-59.8	0	0	0	0	110.3	H286 L307 D309 S346	H286-S288 PolarHBondContact O-N 3.45Å; S288-L307 CarbonylContact C-O 3.48Å; S288-L307 VanDerWaalsContact CA-O 3.23Å; S288-L307 WeakPolarHBondContact CA-O 3.37Å; S288-D309 PolarHBondContact OG-N 2.99Å; S288-S346 PolarHBondContact N-O 3.3Å; S288-S346 PolarHBondContact O-N 2.98Å
289	Y	92.8	Very high	84	Confident	15 Å²	15	51.5 Å²	51.5	6%	0.059	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	125.3	-178.7	178.8	-115.8	0	0	0	111.1	V291 I306 L307 V335 K340 F344 L345	Y289-V291 HydrophobicContact CD1-CG2 4.44Å; Y289-V291 HydrophobicContact CE1-CG2 3.6Å; Y289-I306 HydrophobicContact CD1-CB 4.18Å; Y289-I306 PolarHBondContact O-N 2.82Å; Y289-L307 PolarHBondContact N-O 2.86Å; Y289-L307 PolarHBondContact O-N 2.88Å; Y289-V335 HydrophobicContact CD2-CG2 4.45Å; Y289-V335 HydrophobicContact CG-CG2 4.25Å; Y289-K340 HydrophobicContact CE1-CD 4.22Å; Y289-K340 HydrophobicContact CE1-CG 4.18Å; Y289-K340 HydrophobicContact CE2-CB 3.92Å; Y289-K340 HydrophobicContact CE2-CG 4.18Å; Y289-F344 WeakPolarHBondContact CA-O 3.2Å; Y289-F344 HydrophobicContact CD2-CB 4.47Å; Y289-F344 VanDerWaalsContact CD2-O 3.28Å; Y289-F344 WeakPolarHBondContact CD2-O 3.41Å; Y289-F344 HydrophobicContact CE2-CB 4.16Å; Y289-L345 HydrophobicContact CD2-CB 4.35Å
290	E	91.5	Very high	84.3	Confident	78 Å²	78	59.9 Å²	59.9	36%	0.364	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	150.9	-178.2	-66.3	-178	173.8	0	0	112.2	I303 F344	E290-I303 HydrophobicContact CB-CG2 3.93Å; E290-I303 HydrophobicContact CG-CG2 3.95Å; E290-I303 VanDerWaalsContact OE2-CG2 3.28Å; E290-I303 WeakPolarHBondContact OE2-CG2 3.22Å; E290-F344 HydrophobicContact CB-CB 4.35Å; E290-F344 PolarHBondContact N-O 3.18Å; E290-F344 WeakPolarHBondContact O-CB 3.34Å
291	V	87.2	Confident	84	Confident	40 Å²	40	63.3 Å²	63.3	24%	0.242	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	132.2	169.4	174.1	0	0	0	0	110.2	Y289 I293 K304 I306	Y289-V291 HydrophobicContact CD1-CG2 4.44Å; Y289-V291 HydrophobicContact CE1-CG2 3.6Å; V291-I293 HydrophobicContact CG1-CG1 4.11Å; V291-I293 PolarHBondContact O-N 3.24Å; V291-K304 PolarHBondContact N-O 2.86Å; V291-K304 PolarHBondContact O-N 3.28Å; V291-I306 HydrophobicContact CB-CD1 3.85Å; V291-I306 HydrophobicContact CG2-CD1 3.44Å; V291-I306 VanDerWaalsContact CG2-CD1 3.44Å; V291-I306 HydrophobicContact CG2-CG1 4.29Å
292	K	85.1	Confident	83.7	Confident	117 Å²	117	65 Å²	65	51%	0.509	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	109.3	171.6	-73.5	177.3	179.9	-179.9	0	109.5	P301 I303 F344	K292-P301 HydrophobicContact CB-CB 4.47Å; K292-I303 HydrophobicContact CG-CG1 4.04Å; K292-F344 HydrophobicContact CD-CE1 3.88Å; K292-F344 HydrophobicContact CD-CZ 4.36Å; K292-F344 HydrophobicContact CG-CE1 4.36Å
293	I	81.9	Confident	83.4	Confident	71 Å²	71	69.2 Å²	69.2	36%	0.364	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	122.6	178.1	-57	178.9	0	0	0	108.5	V291 V302 K304	V291-I293 HydrophobicContact CG1-CG1 4.11Å; V291-I293 PolarHBondContact O-N 3.24Å; I293-V302 PolarHBondContact N-O 3.33Å; I293-V302 PolarHBondContact O-N 3.44Å; I293-K304 HydrophobicContact CD1-CB 3.78Å; I293-K304 HydrophobicContact CD1-CD 3.76Å; I293-K304 HydrophobicContact CD1-CG 4.36Å; I293-K304 HydrophobicContact CG1-CB 4.39Å
294	Q	74.3	Confident	83.2	Confident	98 Å²	98	74.9 Å²	74.9	46%	0.458	38%	0.38	S	S	.	.			trans	-110.4	111.9	172.8	-141.5	-171	-14.1	0	0	108.1	T296 L297 S299 P301	Q294-T296 VanDerWaalsContact C-N 3.34Å; Q294-T296 WeakPolarHBondContact CG-O 3.25Å; Q294-T296 PolarHBondContact NE2-O 2.86Å; Q294-L297 PolarHBondContact NE2-O 2.92Å; Q294-S299 WeakPolarHBondContact CG-O 3.16Å; Q294-S299 PolarHBondContact NE2-O 3.13Å; Q294-P301 HydrophobicContact CG-CB 4.31Å
295	K	68.3	Low	83	Confident	169 Å²	169	78 Å²	78	74%	0.735	40%	0.399	S	S	*	.	S	Bend	trans	-69.9	-29.5	-176.1	-75.8	-169.7	176.2	-175.6	0	113.3
296	T	71.3	Confident	82.9	Confident	59 Å²	59	79.7 Å²	79.7	36%	0.362	41%	0.408	S	S	.	.	S	Bend	trans	-142	163.4	170.7	69.6	0	0	0	0	108.2	Q294 C298 S299	Q294-T296 VanDerWaalsContact C-N 3.34Å; Q294-T296 WeakPolarHBondContact CG-O 3.25Å; Q294-T296 PolarHBondContact NE2-O 2.86Å; T296-C298 PolarHBondContact O-N 2.92Å; T296-C298 PolarHBondContact OG1-N 2.89Å; T296-S299 PolarHBondContact O-N 2.9Å; T296-S299 PolarHBondContact OG1-N 3.11Å; T296-S299 PolarHBondContact OG1-OG 2.75Å
297	L	68.8	Low	82.9	Confident	132 Å²	132	75.4 Å²	75.4	69%	0.691	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-23	176.8	-160.3	72.4	0	0	0	113.6	Q294	Q294-L297 PolarHBondContact NE2-O 2.92Å
298	C	71.3	Confident	82.9	Confident	57 Å²	57	78.6 Å²	78.6	39%	0.385	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-17.8	-173.5	-53.6	0	0	0	0	114.2	C53 T296	C53-C298 HydrophobicContact CB-CB 4.17Å; C53-C298 WeakPolarHBondContact CB-SG 3.46Å; C53-C298 WeakPolarHBondContact SG-CB 3.46Å; C53-C298 CovalentContact SG-SG 2.01Å; C53-C298 PolarHBondContact SG-SG 2.82Å; T296-C298 PolarHBondContact O-N 2.92Å; T296-C298 PolarHBondContact OG1-N 2.89Å
299	S	75.3	Confident	82.8	Confident	45 Å²	45	81.3 Å²	81.3	32%	0.315	42%	0.417	S	S	.	.	S	Bend	trans	-65.6	142.1	174.4	-60.8	0	0	0	0	110	Q294 T296	Q294-S299 WeakPolarHBondContact CG-O 3.16Å; Q294-S299 PolarHBondContact NE2-O 3.13Å; T296-S299 PolarHBondContact O-N 2.9Å; T296-S299 PolarHBondContact OG1-N 3.11Å; T296-S299 PolarHBondContact OG1-OG 2.75Å
300	K	77.7	Confident	82.8	Confident	189 Å²	189	80.7 Å²	80.7	82%	0.822	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-59	137.4	168.4	-67.1	-179.2	-179.5	177.1	0	109.2	V302	K300-V302 PolarHBondContact O-N 3.46Å
301	P	79.1	Confident	82.9	Confident	74 Å²	74	78 Å²	78	48%	0.481	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-66.9	122.4	179.3	26.7	-33.7	0	0	0	110.2	K292 Q294	K292-P301 HydrophobicContact CB-CB 4.47Å; Q294-P301 HydrophobicContact CG-CB 4.31Å
302	V	84.7	Confident	83.3	Confident	94 Å²	94	76 Å²	76	57%	0.57	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	127	175.8	-179.4	0	0	0	0	108.1	I293 K300	I293-V302 PolarHBondContact N-O 3.33Å; I293-V302 PolarHBondContact O-N 3.44Å; K300-V302 PolarHBondContact O-N 3.46Å
303	I	85.9	Confident	83.7	Confident	88 Å²	88	70.6 Å²	70.6	45%	0.451	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	126.8	171.8	-60.5	177.3	0	0	0	107.8	E290 K292	E290-I303 HydrophobicContact CB-CG2 3.93Å; E290-I303 HydrophobicContact CG-CG2 3.95Å; E290-I303 VanDerWaalsContact OE2-CG2 3.28Å; E290-I303 WeakPolarHBondContact OE2-CG2 3.22Å; K292-I303 HydrophobicContact CG-CG1 4.04Å
304	K	87.5	Confident	84.3	Confident	120 Å²	120	67.2 Å²	67.2	52%	0.522	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	119.5	171.5	-179	177.3	-179.4	-177.8	0	109.6	V291 I293	V291-K304 PolarHBondContact N-O 2.86Å; V291-K304 PolarHBondContact O-N 3.28Å; I293-K304 HydrophobicContact CD1-CB 3.78Å; I293-K304 HydrophobicContact CD1-CD 3.76Å; I293-K304 HydrophobicContact CD1-CG 4.36Å; I293-K304 HydrophobicContact CG1-CB 4.39Å
305	T	90	Very high	85.2	Confident	66 Å²	66	67 Å²	67	41%	0.405	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	131.7	167	-44.2	0	0	0	0	109.6	L307 D308	T305-L307 WeakPolarHBondContact CG2-O 3.43Å; T305-D308 HydrophobicContact CG2-CB 3.96Å
306	I	91	Very high	86.4	Confident	43 Å²	43	62 Å²	62	22%	0.221	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	-30	179.6	-62.2	-170.6	0	0	0	111.5	Y289 V291 G505	Y289-I306 HydrophobicContact CD1-CB 4.18Å; Y289-I306 PolarHBondContact O-N 2.82Å; V291-I306 HydrophobicContact CB-CD1 3.85Å; V291-I306 HydrophobicContact CG2-CD1 3.44Å; V291-I306 VanDerWaalsContact CG2-CD1 3.44Å; V291-I306 HydrophobicContact CG2-CG1 4.29Å; I306-G505 WeakPolarHBondContact O-CA 3.37Å
307	L	92.4	Very high	87.4	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.7	167.9	-56.4	172.4	0	0	0	107.6	I287 S288 Y289 T305 V310 L332 V335 G505	I287-L307 HydrophobicContact CG2-CD1 4.08Å; S288-L307 CarbonylContact C-O 3.48Å; S288-L307 VanDerWaalsContact CA-O 3.23Å; S288-L307 WeakPolarHBondContact CA-O 3.37Å; Y289-L307 PolarHBondContact N-O 2.86Å; Y289-L307 PolarHBondContact O-N 2.88Å; T305-L307 WeakPolarHBondContact CG2-O 3.43Å; L307-V310 HydrophobicContact CB-CG2 4.29Å; L307-L332 HydrophobicContact CD1-CB 4.13Å; L307-L332 HydrophobicContact CD1-CD1 4.08Å; L307-L332 HydrophobicContact CD2-CB 3.97Å; L307-V335 HydrophobicContact CD1-CB 4.41Å; L307-V335 HydrophobicContact CD1-CG2 4.02Å; L307-G505 WeakPolarHBondContact CA-O 3.34Å
308	D	92.5	Very high	88.7	Confident	68 Å²	68	53.2 Å²	53.2	36%	0.364	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	117.5	-176.4	-173.2	51.9	0	0	0	110.9	T305 V310 G505 Q506	T305-D308 HydrophobicContact CG2-CB 3.96Å; D308-V310 VanDerWaalsContact C-N 3.27Å; D308-V310 PolarHBondContact O-N 2.91Å; D308-V310 VanDerWaalsContact O-N 3.14Å; D308-G505 PolarHBondContact N-O 3.39Å; D308-Q506 HydrophobicContact CB-CG 3.85Å; D308-Q506 PolarHBondContact OD2-NE2 3.23Å
309	D	91.2	Very high	89.9	Confident	84 Å²	84	50.6 Å²	50.6	45%	0.449	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	42.9	39.7	-177.8	-153.7	41.9	0	0	0	117	H286 I287 S288 S311	H286-D309 WeakPolarHBondContact CA-OD1 3.3Å; H286-D309 WeakPolarHBondContact CB-OD1 3.29Å; H286-D309 IonicContact CE1-OD1 2.99Å; H286-D309 IonicContact CE1-OD2 3.48Å; H286-D309 IonicContact CG-OD1 3.39Å; H286-D309 VanDerWaalsContact CG-OD1 3.3Å; H286-D309 VanDerWaalsContact ND1-CG 3.32Å; H286-D309 IonicContact ND1-OD1 3.05Å; H286-D309 PolarHBondContact ND1-OD1 3.14Å; H286-D309 IonicContact ND1-OD2 3.51Å; H286-D309 PolarHBondContact ND1-OD2 2.87Å; H286-D309 VanDerWaalsContact ND1-OD2 3.15Å; I287-D309 PolarHBondContact O-N 2.8Å; S288-D309 PolarHBondContact OG-N 2.99Å; D309-S311 PolarHBondContact O-N 2.98Å
310	V	92.9	Very high	90.9	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	120	-173.8	174.8	0	0	0	0	111.3	F284 I287 L307 D308 L332 G505 I507	F284-V310 HydrophobicContact CD2-CG1 3.88Å; F284-V310 WeakPolarHBondContact CD2-O 3.43Å; F284-V310 HydrophobicContact CE2-CG1 3.48Å; F284-V310 VanDerWaalsContact CE2-CG1 3.48Å; F284-V310 HydrophobicContact CZ-CG1 4.46Å; I287-V310 HydrophobicContact CB-CB 4.17Å; I287-V310 WeakPolarHBondContact CB-O 3.27Å; I287-V310 PolarHBondContact N-O 3.23Å; I287-V310 PolarHBondContact O-N 3.04Å; L307-V310 HydrophobicContact CB-CG2 4.29Å; D308-V310 VanDerWaalsContact C-N 3.27Å; D308-V310 PolarHBondContact O-N 2.91Å; D308-V310 VanDerWaalsContact O-N 3.14Å; V310-L332 HydrophobicContact CG1-CD1 3.82Å; V310-L332 HydrophobicContact CG1-CD2 4.06Å; V310-G505 WeakPolarHBondContact CG2-O 3.47Å; V310-I507 HydrophobicContact CG1-CD1 3.93Å; V310-I507 HydrophobicContact CG1-CG1 4.23Å
311	S	93.8	Very high	91.8	Very high	20 Å²	20	39.4 Å²	39.4	14%	0.14	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	143	-179.5	-63.8	0	0	0	0	112.7	F284 H286 D309 I507	F284-S311 CarbonylContact O-C 3.51Å; F284-S311 VanDerWaalsContact O-CA 3.31Å; F284-S311 WeakPolarHBondContact O-CA 3.43Å; H286-S311 PolarHBondContact N-OG 3.44Å; D309-S311 PolarHBondContact O-N 2.98Å; S311-I507 WeakPolarHBondContact O-CD1 3.5Å
312	G	93.7	Very high	92.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.5	178.9	-176.4	0	0	0	0	0	116.4	S283 F284	S283-G312 WeakPolarHBondContact CA-O 3.26Å; F284-G312 VanDerWaalsContact CD2-N 3.35Å; F284-G312 PolarHBondContact N-O 3.36Å; F284-G312 PolarHBondContact O-N 3.36Å
313	I	94.3	Very high	92.9	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	123	-171.5	-59.5	-179.8	0	0	0	111.9	K281 R315 H510 E591 V592 I595	K281-I313 HydrophobicContact CD-CG2 4.34Å; K281-I313 HydrophobicContact CG-CG2 4.06Å; I313-R315 HydrophobicContact CG2-CG 4.04Å; I313-H510 PolarHBondContact N-NE2 2.75Å; I313-H510 PolarHBondContact O-CE1 2.76Å; I313-H510 VanDerWaalsContact O-CE1 3.31Å; I313-H510 PolarHBondContact O-NE2 3.47Å; I313-H510 VanDerWaalsContact O-NE2 3.16Å; I313-E591 HydrophobicContact CD1-CB 3.67Å; I313-E591 VanDerWaalsContact CD1-CD 3.41Å; I313-E591 HydrophobicContact CD1-CG 3.46Å; I313-E591 VanDerWaalsContact CD1-CG 3.46Å; I313-V592 HydrophobicContact CD1-CG2 3.86Å; I313-V592 HydrophobicContact CG1-CG2 3.52Å; I313-I595 HydrophobicContact CD1-CD1 3.92Å
314	L	94.7	Very high	93.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.7	176.9	-51.3	174.4	0	0	0	109	L282 F284 N319 L336 I482	L282-L314 HydrophobicContact CB-CB 4.43Å; L282-L314 HydrophobicContact CD2-CD1 4.41Å; L282-L314 PolarHBondContact N-O 3.3Å; L282-L314 PolarHBondContact O-N 2.91Å; F284-L314 HydrophobicContact CD1-CD1 4.45Å; F284-L314 HydrophobicContact CE1-CD1 3.94Å; F284-L314 HydrophobicContact CE1-CD2 4.31Å; F284-L314 HydrophobicContact CE1-CG 3.89Å; L314-N319 WeakPolarHBondContact CA-OD1 3.45Å; L314-N319 HydrophobicContact CD2-CB 3.99Å; L314-L336 HydrophobicContact CD1-CD1 3.7Å; L314-I482 HydrophobicContact CB-CD1 4.17Å; L314-I482 HydrophobicContact CB-CG1 4.32Å; L314-I482 HydrophobicContact CD1-CB 4.49Å; L314-I482 HydrophobicContact CD1-CD1 3.52Å; L314-I482 HydrophobicContact CD1-CG1 3.83Å; L314-I482 HydrophobicContact CD1-CG2 3.81Å; L314-I482 HydrophobicContact CG-CD1 4.48Å
315	R	92.6	Very high	93.2	Very high	94 Å²	94	27.3 Å²	27.3	36%	0.355	15%	0.153	S	C	.	.			trans	-110.5	159.9	-171.2	-64.1	-178.2	-177.6	82.9	-7.4	110.8	I313 G317 N319 E591	I313-R315 HydrophobicContact CG2-CG 4.04Å; R315-G317 PolarHBondContact O-N 2.92Å; R315-N319 PolarHBondContact N-OD1 3.5Å; R315-N319 VanDerWaalsContact N-OD1 3.16Å; R315-N319 PolarHBondContact O-ND2 3.28Å; R315-N319 PolarHBondContact O-OD1 2.91Å; R315-E591 IonicContact CZ-OE1 2.73Å; R315-E591 IonicContact CZ-OE2 3.54Å; R315-E591 IonicContact NE-OE1 3.76Å; R315-E591 IonicContact NH2-OE1 3.3Å; R315-E591 PolarHBondContact NH2-OE1 2.9Å; R315-E591 IonicContact NH2-OE2 3.55Å; R315-E591 PolarHBondContact NH2-OE2 3.04Å
316	P	93.3	Very high	93.1	Very high	64 Å²	64	28.2 Å²	28.2	42%	0.416	18%	0.175	S	C	.	.	S	Bend	trans	-47.6	126.1	167.5	-30.4	37.7	0	0	0	111.6	T480	P316-T480 WeakPolarHBondContact CA-OG1 3.32Å
317	G	93.7	Very high	93.1	Very high	7 Å²	7	26.4 Å²	26.4	7%	0.072	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	132.2	-171	-163.7	0	0	0	0	0	113.2	R315 N319 R479 I481	R315-G317 PolarHBondContact O-N 2.92Å; G317-N319 PolarHBondContact O-ND2 2.65Å; G317-R479 PolarHBondContact N-O 3.34Å; G317-R479 VanDerWaalsContact N-O 3.13Å; G317-I481 PolarHBondContact O-N 2.95Å
318	M	95.4	Very high	93	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	113.7	175.7	-70.3	-166	74.8	0	0	111.8	V468 L471 K472 A475 F483 L495 D497 T498	M318-V468 HydrophobicContact CE-CG1 3.86Å; M318-L471 HydrophobicContact CE-CB 3.68Å; M318-L471 HydrophobicContact CE-CD1 4.47Å; M318-L471 HydrophobicContact SD-CB 4.44Å; M318-K472 HydrophobicContact CG-CD 3.92Å; M318-K472 WeakPolarHBondContact SD-CA 3.16Å; M318-K472 HydrophobicContact SD-CB 3.62Å; M318-K472 HydrophobicContact SD-CD 3.4Å; M318-K472 WeakPolarHBondContact SD-CD 3.31Å; M318-K472 HydrophobicContact SD-CG 4.13Å; M318-A475 HydrophobicContact CG-CB 3.67Å; M318-F483 HydrophobicContact CB-CE1 4.2Å; M318-F483 HydrophobicContact CE-CD1 4.45Å; M318-F483 HydrophobicContact CE-CE1 3.52Å; M318-F483 HydrophobicContact CE-CZ 3.69Å; M318-L495 HydrophobicContact SD-CB 4.45Å; M318-D497 PolarHBondContact N-OD2 2.87Å; M318-D497 PolarHBondContact O-N 3.03Å; M318-T498 PolarHBondContact O-N 2.86Å; M318-T498 VanDerWaalsContact O-N 3.09Å
319	N	96.8	Very high	93	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	114.4	179.6	-50.4	-102.3	0	0	0	109.9	L314 R315 G317 I481 I482 F483 T498	L314-N319 WeakPolarHBondContact CA-OD1 3.45Å; L314-N319 HydrophobicContact CD2-CB 3.99Å; R315-N319 PolarHBondContact N-OD1 3.5Å; R315-N319 VanDerWaalsContact N-OD1 3.16Å; R315-N319 PolarHBondContact O-ND2 3.28Å; R315-N319 PolarHBondContact O-OD1 2.91Å; G317-N319 PolarHBondContact O-ND2 2.65Å; N319-I481 WeakPolarHBondContact CB-O 3.19Å; N319-I481 PolarHBondContact N-O 2.88Å; N319-I481 PolarHBondContact ND2-O 3.5Å; N319-I482 HydrophobicContact CB-CG1 4.33Å; N319-I482 WeakPolarHBondContact O-CA 2.81Å; N319-F483 WeakPolarHBondContact O-CD1 3.32Å; N319-F483 WeakPolarHBondContact O-CE1 3.46Å; N319-F483 PolarHBondContact O-N 3.19Å; N319-T498 WeakPolarHBondContact CA-OG1 3.4Å; N319-T498 VanDerWaalsContact CB-OG1 3.22Å; N319-T498 WeakPolarHBondContact CB-OG1 3.33Å; N319-T498 PolarHBondContact OD1-OG1 3.22Å
320	A	96.7	Very high	93.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	133.4	-178.7	0	0	0	0	0	112.1	F483 I485 F496 T498 L499 T500	A320-F483 HydrophobicContact CB-CE1 4.4Å; A320-F483 HydrophobicContact CB-CE2 3.86Å; A320-F483 HydrophobicContact CB-CZ 3.73Å; A320-I485 HydrophobicContact CB-CG2 4.5Å; A320-F496 HydrophobicContact CB-CD1 4.32Å; A320-F496 HydrophobicContact CB-CD2 3.53Å; A320-F496 HydrophobicContact CB-CE1 4.43Å; A320-F496 HydrophobicContact CB-CE2 3.65Å; A320-F496 HydrophobicContact CB-CG 3.9Å; A320-F496 HydrophobicContact CB-CZ 4.11Å; A320-T498 PolarHBondContact N-O 2.8Å; A320-L499 HydrophobicContact CB-CD1 4.22Å; A320-T500 PolarHBondContact O-N 3.28Å
321	L	96.1	Very high	93.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122.7	170.1	-49.5	-179.5	0	0	0	109	L332 L333 I482 F483 S484 I485 T500 I502	L321-L332 HydrophobicContact CD1-CD2 4.42Å; L321-L333 HydrophobicContact CD1-CB 4.42Å; L321-L333 HydrophobicContact CD1-CD1 4.05Å; L321-I482 HydrophobicContact CD1-CG2 4.25Å; L321-I482 HydrophobicContact CG-CG2 4.37Å; L321-F483 PolarHBondContact N-O 3.39Å; L321-S484 CarbonylContact O-C 3.59Å; L321-S484 WeakPolarHBondContact O-CA 3.46Å; L321-I485 PolarHBondContact O-N 2.9Å; L321-T500 HydrophobicContact CD2-CG2 4.36Å; L321-I502 HydrophobicContact CB-CD1 4.45Å
322	M	95	Very high	93.1	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	161.7	-173.6	179	167.2	172.2	0	0	111.6	I485 P488 L499 T500 L501 I502 P535 M539	M322-I485 HydrophobicContact CB-CG2 4.41Å; M322-P488 VanDerWaalsContact SD-CD 3.58Å; M322-P488 HydrophobicContact SD-CG 3.93Å; M322-L499 HydrophobicContact CB-CD1 4.19Å; M322-T500 PolarHBondContact N-O 2.94Å; M322-L501 HydrophobicContact CB-CD2 3.93Å; M322-L501 HydrophobicContact CG-CD2 4.08Å; M322-L501 WeakPolarHBondContact O-CA 3.16Å; M322-I502 PolarHBondContact O-N 2.71Å; M322-P535 HydrophobicContact CE-CB 3.69Å; M322-P535 WeakPolarHBondContact CE-O 3.27Å; M322-P535 HydrophobicContact SD-CB 4.01Å; M322-M539 HydrophobicContact CE-CG 3.48Å; M322-M539 VanDerWaalsContact CE-CG 3.48Å; M322-M539 HydrophobicContact CE-SD 3.66Å; M322-M539 HydrophobicContact CG-SD 4.38Å
323	G	92.2	Very high	93.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	14%	0.143	C	C	.	.			trans	141.4	178.1	-176.3	0	0	0	0	0	112.3	K329	G323-K329 PolarHBondContact O-NZ 3.23Å
324	P	90.3	Very high	93	Very high	5 Å²	5	21.4 Å²	21.4	3%	0.032	14%	0.143	C	C	.	.	S	Bend	trans	-57.1	164.4	-174.5	-28.8	36.9	0	0	0	116	S327 K329 Y503 M539 I542 M568	P324-S327 WeakPolarHBondContact O-CB 3.48Å; P324-S327 PolarHBondContact O-N 3.24Å; P324-S327 PolarHBondContact O-OG 3.26Å; P324-S327 VanDerWaalsContact O-OG 3.13Å; P324-K329 PolarHBondContact O-NZ 3.21Å; P324-Y503 HydrophobicContact CG-CD2 4.23Å; P324-M539 HydrophobicContact CB-CE 4.46Å; P324-M539 HydrophobicContact CG-CE 4.16Å; P324-I542 HydrophobicContact CG-CG2 3.58Å; P324-M568 HydrophobicContact CB-CE 3.89Å; P324-M568 HydrophobicContact CG-CE 3.84Å
325	T	89.9	Confident	92.9	Very high	116 Å²	116	21.6 Å²	21.6	71%	0.712	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	140.4	166.3	48.9	0	0	0	0	109.7	S327	T325-S327 PolarHBondContact O-N 2.86Å; T325-S327 VanDerWaalsContact O-N 3.14Å
326	G	86.8	Confident	92.9	Very high	85 Å²	85	17.1 Å²	17.1	88%	0.876	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	1.7	-175.6	0	0	0	0	0	116.5	G328	G326-G328 PolarHBondContact O-N 3.24Å; G326-G328 VanDerWaalsContact O-N 3.12Å
327	S	90.3	Very high	92.8	Very high	5 Å²	5	14 Å²	14	4%	0.035	11%	0.107	C	C	.	.	S	Bend	trans	-72.9	-1.2	-174.8	81.5	0	0	0	0	116.3	P324 T325 I502 G505	P324-S327 WeakPolarHBondContact O-CB 3.48Å; P324-S327 PolarHBondContact O-N 3.24Å; P324-S327 PolarHBondContact O-OG 3.26Å; P324-S327 VanDerWaalsContact O-OG 3.13Å; T325-S327 PolarHBondContact O-N 2.86Å; T325-S327 VanDerWaalsContact O-N 3.14Å; S327-I502 WeakPolarHBondContact CB-O 3.07Å; S327-I502 WeakPolarHBondContact O-CG2 3.49Å; S327-I502 PolarHBondContact OG-O 3.17Å; S327-G505 PolarHBondContact O-N 3.27Å
328	G	90.9	Very high	92.4	Very high	5 Å²	5	14.5 Å²	14.5	5%	0.052	11%	0.111	C	C	.	.	S	Bend	trans	103.4	-5.6	179.8	0	0	0	0	0	115.5	G326 S330 S331 L332	G326-G328 PolarHBondContact O-N 3.24Å; G326-G328 VanDerWaalsContact O-N 3.12Å; G328-S330 PolarHBondContact O-N 3.39Å; G328-S331 CarbonylContact O-C 3.54Å; G328-S331 WeakPolarHBondContact O-CA 3.4Å; G328-S331 WeakPolarHBondContact O-CB 3.33Å; G328-S331 PolarHBondContact O-N 2.99Å; G328-L332 PolarHBondContact O-N 3.31Å
329	K	92.9	Very high	92	Very high	9 Å²	9	15.2 Å²	15.2	4%	0.039	11%	0.114	C	C	.	.	H	α-helix	trans	-41.5	-62.6	-176.5	-56.9	-168.3	-64.5	-82	0	114.5	G323 P324 S331 L332 L333	G323-K329 PolarHBondContact O-NZ 3.23Å; P324-K329 PolarHBondContact O-NZ 3.21Å; K329-S331 VanDerWaalsContact C-N 3.31Å; K329-S331 PolarHBondContact O-N 3Å; K329-L332 PolarHBondContact O-N 2.84Å; K329-L333 PolarHBondContact O-N 3.06Å
330	S	92.6	Very high	91.5	Very high	31 Å²	31	16.4 Å²	16.4	22%	0.217	12%	0.119	C	C	.	.	H	α-helix	trans	-69.5	-28.5	-178.2	-53.5	0	0	0	0	112.5	G328 L333 D334 D453	G328-S330 PolarHBondContact O-N 3.39Å; S330-L333 PolarHBondContact O-N 2.64Å; S330-D334 WeakPolarHBondContact O-CB 3.27Å; S330-D334 PolarHBondContact O-N 2.98Å; S330-D453 VanDerWaalsContact CB-OD1 3.22Å; S330-D453 WeakPolarHBondContact CB-OD1 3.35Å; S330-D453 WeakPolarHBondContact CB-OD2 3.36Å; S330-D453 PolarHBondContact OG-OD1 2.88Å
331	S	92.7	Very high	90.8	Very high	24 Å²	24	17.4 Å²	17.4	17%	0.168	13%	0.125	C	C	.	.	H	α-helix	trans	-68.2	-40.7	174.5	-49.8	0	0	0	0	111.7	G328 K329 D334 V335	G328-S331 CarbonylContact O-C 3.54Å; G328-S331 WeakPolarHBondContact O-CA 3.4Å; G328-S331 WeakPolarHBondContact O-CB 3.33Å; G328-S331 PolarHBondContact O-N 2.99Å; K329-S331 VanDerWaalsContact C-N 3.31Å; K329-S331 PolarHBondContact O-N 3Å; S331-D334 PolarHBondContact O-N 3.15Å; S331-V335 WeakPolarHBondContact O-CG2 3.49Å; S331-V335 PolarHBondContact O-N 3.44Å
332	L	94.4	Very high	90.2	Very high	0 Å²	0	21 Å²	21	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.9	-47.5	170.7	-177.7	63.4	0	0	0	110.3	L307 V310 L321 G328 K329 D334 V335 L336 I502	L307-L332 HydrophobicContact CD1-CB 4.13Å; L307-L332 HydrophobicContact CD1-CD1 4.08Å; L307-L332 HydrophobicContact CD2-CB 3.97Å; V310-L332 HydrophobicContact CG1-CD1 3.82Å; V310-L332 HydrophobicContact CG1-CD2 4.06Å; L321-L332 HydrophobicContact CD1-CD2 4.42Å; G328-L332 PolarHBondContact O-N 3.31Å; K329-L332 PolarHBondContact O-N 2.84Å; L332-D334 VanDerWaalsContact C-N 3.29Å; L332-D334 PolarHBondContact O-N 2.93Å; L332-V335 PolarHBondContact O-N 3.28Å; L332-V335 VanDerWaalsContact O-N 3.09Å; L332-L336 HydrophobicContact CD1-CD1 4.41Å; L332-L336 HydrophobicContact CD1-CD2 4.19Å; L332-L336 HydrophobicContact CD1-CG 4.12Å; L332-L336 HydrophobicContact CG-CD1 4.17Å; L332-L336 HydrophobicContact CG-CG 4.23Å; L332-L336 WeakPolarHBondContact O-CG 3.46Å; L332-L336 PolarHBondContact O-N 2.77Å; L332-I502 HydrophobicContact CD2-CD1 3.57Å
333	L	94.3	Very high	89.7	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-55.9	-43.4	177.6	-165	78.6	0	0	0	112.1	L321 K329 S330 L336 A337 Y366 F451 L452 D453 I482	L321-L333 HydrophobicContact CD1-CB 4.42Å; L321-L333 HydrophobicContact CD1-CD1 4.05Å; K329-L333 PolarHBondContact O-N 3.06Å; S330-L333 PolarHBondContact O-N 2.64Å; L333-L336 PolarHBondContact O-N 3.12Å; L333-A337 VanDerWaalsContact O-CB 3.3Å; L333-A337 WeakPolarHBondContact O-CB 3.14Å; L333-A337 PolarHBondContact O-N 3.1Å; L333-Y366 HydrophobicContact CD2-CE2 4.15Å; L333-Y366 HydrophobicContact CG-CE2 4.25Å; L333-F451 HydrophobicContact CD1-CB 4.22Å; L333-F451 HydrophobicContact CD1-CD1 3.84Å; L333-F451 HydrophobicContact CG-CB 4.34Å; L333-F451 HydrophobicContact CG-CD1 4.37Å; L333-L452 VanDerWaalsContact CD2-C 3.48Å; L333-L452 WeakPolarHBondContact CD2-O 3.36Å; L333-D453 HydrophobicContact CD2-CB 3.82Å; L333-I482 HydrophobicContact CD1-CB 4.43Å; L333-I482 HydrophobicContact CD1-CG2 3.76Å
334	D	91.9	Very high	89.3	Confident	3 Å²	3	31.7 Å²	31.7	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-65.6	-38.3	175.8	-70.8	-26.8	0	0	0	112.9	S330 S331 L332 A337 G338 R339 K340 Y366 K904	S330-D334 WeakPolarHBondContact O-CB 3.27Å; S330-D334 PolarHBondContact O-N 2.98Å; S331-D334 PolarHBondContact O-N 3.15Å; L332-D334 VanDerWaalsContact C-N 3.29Å; L332-D334 PolarHBondContact O-N 2.93Å; D334-A337 PolarHBondContact O-N 3.19Å; D334-G338 PolarHBondContact O-N 3.33Å; D334-R339 HydrophobicContact CB-CB 4.33Å; D334-R339 WeakPolarHBondContact O-CA 3.23Å; D334-R339 PolarHBondContact O-N 2.92Å; D334-K340 HydrophobicContact CB-CD 3.88Å; D334-K340 HydrophobicContact CB-CG 3.82Å; D334-K340 WeakPolarHBondContact OD2-CE 3.28Å; D334-K340 IonicContact OD2-NZ 3.98Å; D334-Y366 PolarHBondContact OD1-OH 2.99Å; D334-K904 IonicContact OD1-NZ 3.13Å; D334-K904 PolarHBondContact OD1-NZ 3.16Å; D334-K904 WeakPolarHBondContact OD2-CD 3Å; D334-K904 WeakPolarHBondContact OD2-CE 3.38Å; D334-K904 IonicContact OD2-NZ 2.72Å; D334-K904 PolarHBondContact OD2-NZ 3.29Å
335	V	92.2	Very high	89.3	Confident	3 Å²	3	34 Å²	34	2%	0.018	21%	0.206	C	C	.	.	H	α-helix	trans	-66	-48.1	175.4	165	0	0	0	0	110.9	I287 Y289 L307 S331 L332 A337 G338 K340 L345	I287-V335 HydrophobicContact CG2-CG1 3.78Å; Y289-V335 HydrophobicContact CD2-CG2 4.45Å; Y289-V335 HydrophobicContact CG-CG2 4.25Å; L307-V335 HydrophobicContact CD1-CB 4.41Å; L307-V335 HydrophobicContact CD1-CG2 4.02Å; S331-V335 WeakPolarHBondContact O-CG2 3.49Å; S331-V335 PolarHBondContact O-N 3.44Å; L332-V335 PolarHBondContact O-N 3.28Å; L332-V335 VanDerWaalsContact O-N 3.09Å; V335-A337 PolarHBondContact O-N 3.36Å; V335-G338 PolarHBondContact O-N 3.43Å; V335-K340 HydrophobicContact CG2-CB 4.12Å; V335-K340 HydrophobicContact CG2-CG 3.72Å; V335-L345 HydrophobicContact CB-CD1 4.46Å; V335-L345 HydrophobicContact CG1-CD1 3.56Å; V335-L345 HydrophobicContact CG1-CD2 3.98Å; V335-L345 HydrophobicContact CG1-CG 4.45Å; V335-L345 HydrophobicContact CG2-CD1 3.98Å
336	L	92.7	Very high	89.4	Confident	0 Å²	0	32 Å²	32	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.8	-31.3	178.6	-59.7	-174.8	0	0	0	112.1	L282 F284 L314 L332 L333 G338 V349 Q356 F451	L282-L336 HydrophobicContact CD2-CD1 4.29Å; L282-L336 HydrophobicContact CD2-CD2 4.06Å; F284-L336 HydrophobicContact CB-CD2 3.59Å; F284-L336 HydrophobicContact CD1-CD1 3.97Å; F284-L336 HydrophobicContact CD1-CD2 3.71Å; F284-L336 HydrophobicContact CE1-CD1 4.14Å; F284-L336 HydrophobicContact CG-CD2 3.79Å; L314-L336 HydrophobicContact CD1-CD1 3.7Å; L332-L336 HydrophobicContact CD1-CD1 4.41Å; L332-L336 HydrophobicContact CD1-CD2 4.19Å; L332-L336 HydrophobicContact CD1-CG 4.12Å; L332-L336 HydrophobicContact CG-CD1 4.17Å; L332-L336 HydrophobicContact CG-CG 4.23Å; L332-L336 WeakPolarHBondContact O-CG 3.46Å; L332-L336 PolarHBondContact O-N 2.77Å; L333-L336 PolarHBondContact O-N 3.12Å; L336-G338 VanDerWaalsContact C-N 3.32Å; L336-V349 HydrophobicContact CD2-CG1 4.37Å; L336-V349 HydrophobicContact CD2-CG2 4.09Å; L336-Q356 PolarHBondContact O-NE2 3.09Å; L336-F451 HydrophobicContact CB-CE1 3.72Å; L336-F451 HydrophobicContact CB-CZ 4.22Å; L336-F451 WeakPolarHBondContact O-CZ 3.39Å
337	A	90.3	Very high	89.5	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-1.3	173.1	0	0	0	0	0	114.9	L333 D334 V335 R339 Y366 F451	L333-A337 VanDerWaalsContact O-CB 3.3Å; L333-A337 WeakPolarHBondContact O-CB 3.14Å; L333-A337 PolarHBondContact O-N 3.1Å; D334-A337 PolarHBondContact O-N 3.19Å; V335-A337 PolarHBondContact O-N 3.36Å; A337-R339 VanDerWaalsContact C-N 3.26Å; A337-R339 HydrophobicContact CB-CG 4.04Å; A337-R339 PolarHBondContact O-N 3.3Å; A337-Y366 HydrophobicContact CB-CD2 3.52Å; A337-Y366 HydrophobicContact CB-CE2 3.86Å; A337-F451 HydrophobicContact CB-CD1 4.41Å; A337-F451 HydrophobicContact CB-CD2 3.82Å; A337-F451 HydrophobicContact CB-CE2 3.92Å; A337-F451 HydrophobicContact CB-CG 4.07Å; A337-F451 HydrophobicContact CB-CZ 4.26Å
338	G	87	Confident	89.5	Confident	16 Å²	16	34.3 Å²	34.3	17%	0.165	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	20	-176.7	0	0	0	0	0	114.5	D334 V335 L336 K361	D334-G338 PolarHBondContact O-N 3.33Å; V335-G338 PolarHBondContact O-N 3.43Å; L336-G338 VanDerWaalsContact C-N 3.32Å; G338-K361 WeakPolarHBondContact O-CE 3.38Å; G338-K361 PolarHBondContact O-NZ 2.93Å
339	R	85.7	Confident	89.5	Confident	16 Å²	16	35 Å²	35	6%	0.06	20%	0.199	C	C	.	.			trans	-91.1	-6.8	-173.8	-69.1	-171.3	170.3	-134.5	-11.1	115	D334 A337 S711 Y903 K904	D334-R339 HydrophobicContact CB-CB 4.33Å; D334-R339 WeakPolarHBondContact O-CA 3.23Å; D334-R339 PolarHBondContact O-N 2.92Å; A337-R339 VanDerWaalsContact C-N 3.26Å; A337-R339 HydrophobicContact CB-CG 4.04Å; A337-R339 PolarHBondContact O-N 3.3Å; R339-S711 PolarHBondContact NH2-OG 3.42Å; R339-Y903 WeakPolarHBondContact O-CA 3.48Å; R339-Y903 WeakPolarHBondContact O-CD1 3.43Å; R339-K904 PolarHBondContact O-N 2.04Å
340	K	86.7	Confident	89.4	Confident	26 Å²	26	34.8 Å²	34.8	11%	0.113	20%	0.198	C	C	.	.	S	Bend	trans	-88.5	157.2	168.8	-65.5	-49.2	-168.5	166.7	0	113	Y289 D334 V335 Y903 K904	Y289-K340 HydrophobicContact CE1-CD 4.22Å; Y289-K340 HydrophobicContact CE1-CG 4.18Å; Y289-K340 HydrophobicContact CE2-CB 3.92Å; Y289-K340 HydrophobicContact CE2-CG 4.18Å; D334-K340 HydrophobicContact CB-CD 3.88Å; D334-K340 HydrophobicContact CB-CG 3.82Å; D334-K340 WeakPolarHBondContact OD2-CE 3.28Å; D334-K340 IonicContact OD2-NZ 3.98Å; V335-K340 HydrophobicContact CG2-CB 4.12Å; V335-K340 HydrophobicContact CG2-CG 3.72Å; K340-Y903 WeakPolarHBondContact O-CD1 2.98Å; K340-Y903 VanDerWaalsContact O-CE1 3.27Å; K340-Y903 WeakPolarHBondContact O-CE1 3.41Å; K340-K904 WeakPolarHBondContact CD-OXT 3.29Å; K340-K904 WeakPolarHBondContact CE-OXT 3.46Å; K340-K904 PolarHBondContact NZ-O 2.99Å; K340-K904 PolarHBondContact NZ-OXT 3.43Å
341	D	82.6	Confident	89.2	Confident	20 Å²	20	34.3 Å²	34.3	11%	0.107	19%	0.193	C	C	.	.			trans	-68.6	120.9	173.3	-174.2	-22.7	0	0	0	109.4	K343 Y903	D341-K343 PolarHBondContact O-N 2.68Å; D341-K343 VanDerWaalsContact O-N 3.12Å; D341-K343 WeakPolarHBondContact OD1-CB 3.31Å; D341-K343 VanDerWaalsContact OD1-CG 3.25Å; D341-K343 WeakPolarHBondContact OD1-CG 3.49Å; D341-K343 PolarHBondContact OD1-N 3.3Å; D341-K343 IonicContact OD1-NZ 3.98Å; D341-K343 IonicContact OD2-NZ 3.51Å; D341-K343 PolarHBondContact OD2-NZ 3.39Å; D341-Y903 HydrophobicContact CB-CD2 3.8Å; D341-Y903 HydrophobicContact CB-CE2 4.23Å; D341-Y903 HydrophobicContact CB-CG 4.05Å
342	P	82.7	Confident	88.9	Confident	76 Å²	76	38 Å²	38	49%	0.494	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-65.1	-12.5	-177.5	26.8	-36	0	0	0	114.6	F344 L345	P342-F344 PolarHBondContact O-N 3.13Å; P342-L345 PolarHBondContact O-N 3.5Å
343	K	84.5	Confident	88.3	Confident	162 Å²	162	39 Å²	39	70%	0.704	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-62.3	-19.7	178.4	-69.4	172.6	-156.1	130.6	0	115	D341	D341-K343 PolarHBondContact O-N 2.68Å; D341-K343 VanDerWaalsContact O-N 3.12Å; D341-K343 WeakPolarHBondContact OD1-CB 3.31Å; D341-K343 VanDerWaalsContact OD1-CG 3.25Å; D341-K343 WeakPolarHBondContact OD1-CG 3.49Å; D341-K343 PolarHBondContact OD1-N 3.3Å; D341-K343 IonicContact OD1-NZ 3.98Å; D341-K343 IonicContact OD2-NZ 3.51Å; D341-K343 PolarHBondContact OD2-NZ 3.39Å
344	F	85	Confident	87.9	Confident	64 Å²	64	45.9 Å²	45.9	28%	0.281	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-121.7	19.1	-177.9	-48.6	-73.2	0	0	0	112	Y289 E290 K292 P342	Y289-F344 WeakPolarHBondContact CA-O 3.2Å; Y289-F344 HydrophobicContact CD2-CB 4.47Å; Y289-F344 VanDerWaalsContact CD2-O 3.28Å; Y289-F344 WeakPolarHBondContact CD2-O 3.41Å; Y289-F344 HydrophobicContact CE2-CB 4.16Å; E290-F344 HydrophobicContact CB-CB 4.35Å; E290-F344 PolarHBondContact N-O 3.18Å; E290-F344 WeakPolarHBondContact O-CB 3.34Å; K292-F344 HydrophobicContact CD-CE1 3.88Å; K292-F344 HydrophobicContact CD-CZ 4.36Å; K292-F344 HydrophobicContact CG-CE1 4.36Å; P342-F344 PolarHBondContact O-N 3.13Å
345	L	90	Very high	87.5	Confident	53 Å²	53	49.2 Å²	49.2	28%	0.277	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.8	-177.1	177.1	62.4	0	0	0	110.1	I287 Y289 V335 P342	I287-L345 HydrophobicContact CG2-CD1 4.03Å; Y289-L345 HydrophobicContact CD2-CB 4.35Å; V335-L345 HydrophobicContact CB-CD1 4.46Å; V335-L345 HydrophobicContact CG1-CD1 3.56Å; V335-L345 HydrophobicContact CG1-CD2 3.98Å; V335-L345 HydrophobicContact CG1-CG 4.45Å; V335-L345 HydrophobicContact CG2-CD1 3.98Å; P342-L345 PolarHBondContact O-N 3.5Å
346	S	90.6	Very high	87.1	Confident	75 Å²	75	52.1 Å²	52.1	52%	0.524	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	159.9	170.6	-65.9	0	0	0	0	110.6	I287 S288	I287-S346 WeakPolarHBondContact CA-O 3.03Å; S288-S346 PolarHBondContact N-O 3.3Å; S288-S346 PolarHBondContact O-N 2.98Å
347	G	88.8	Confident	86.5	Confident	47 Å²	47	54.9 Å²	54.9	49%	0.485	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	95.3	-174.1	179.6	0	0	0	0	0	114.7	H285 H286	H285-G347 CarbonylContact O-C 3.58Å; H285-G347 VanDerWaalsContact O-CA 3.23Å; H285-G347 WeakPolarHBondContact O-CA 3.15Å; H286-G347 WeakPolarHBondContact O-CA 3.23Å; H286-G347 PolarHBondContact O-N 3.12Å
348	K	90.1	Very high	85.7	Confident	90 Å²	90	62.5 Å²	62.5	39%	0.391	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	135	-178.4	-58.2	-179.7	-175	-177.8	0	110.8	H285 L350 E600	H285-K348 HydrophobicContact CB-CB 4.26Å; H285-K348 PolarHBondContact CD2-O 2.8Å; H285-K348 PolarHBondContact N-O 3.13Å; H285-K348 PolarHBondContact O-N 2.99Å; K348-L350 HydrophobicContact CB-CD2 4.42Å; K348-E600 IonicContact NZ-OE1 2.66Å; K348-E600 PolarHBondContact NZ-OE1 2.94Å
349	V	91.2	Very high	85	Confident	20 Å²	20	62.7 Å²	62.7	12%	0.121	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	119.3	167.4	-178.3	0	0	0	0	108.7	L282 F284 I287 L336 Q356	L282-V349 HydrophobicContact CD2-CG1 4.11Å; L282-V349 HydrophobicContact CG-CG1 4.36Å; F284-V349 HydrophobicContact CB-CG2 4.44Å; I287-V349 HydrophobicContact CD1-CG2 3.75Å; L336-V349 HydrophobicContact CD2-CG1 4.37Å; L336-V349 HydrophobicContact CD2-CG2 4.09Å; V349-Q356 PolarHBondContact O-N 2.84Å
350	L	90.7	Very high	84.8	Confident	4 Å²	4	62.2 Å²	62.2	2%	0.021	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.7	-177.3	-52.3	-175.9	0	0	0	111.3	S283 K348 R354 P355 I595 L599	S283-L350 PolarHBondContact N-O 3.27Å; S283-L350 PolarHBondContact O-N 3.14Å; S283-L350 PolarHBondContact OG-O 3.34Å; K348-L350 HydrophobicContact CB-CD2 4.42Å; L350-R354 CarbonylContact C-O 3.55Å; L350-R354 WeakPolarHBondContact CA-O 3.24Å; L350-P355 HydrophobicContact CD2-CB 4.36Å; L350-I595 HydrophobicContact CD1-CG2 4.2Å; L350-L599 HydrophobicContact CD1-CD1 4.05Å; L350-L599 HydrophobicContact CD2-CD1 3.65Å; L350-L599 HydrophobicContact CG-CD1 4.49Å
351	I	88.5	Confident	84.3	Confident	22 Å²	22	63.5 Å²	63.5	11%	0.113	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	117.2	-179.5	-55.3	166.9	0	0	0	106.8	A280 G353 R354 Q356 F360	A280-I351 HydrophobicContact CB-CG2 3.63Å; I351-G353 PolarHBondContact O-N 2.84Å; I351-G353 VanDerWaalsContact O-N 3.08Å; I351-R354 PolarHBondContact N-O 2.93Å; I351-R354 PolarHBondContact O-N 2.76Å; I351-Q356 HydrophobicContact CD1-CB 4.31Å; I351-Q356 HydrophobicContact CD1-CG 4.16Å; I351-F360 HydrophobicContact CD1-CD2 3.55Å; I351-F360 HydrophobicContact CD1-CE1 4.33Å; I351-F360 HydrophobicContact CD1-CE2 3.27Å; I351-F360 HydrophobicContact CD1-CG 4.21Å; I351-F360 HydrophobicContact CD1-CZ 3.69Å; I351-F360 HydrophobicContact CG1-CE2 4.47Å
352	D	86.4	Confident	83.8	Confident	101 Å²	101	64.3 Å²	64.3	54%	0.54	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	30	-172.6	-60	-52.2	0	0	0	113.8	A280 K281 R354	A280-D352 WeakPolarHBondContact CA-OD1 3.43Å; A280-D352 VanDerWaalsContact CA-OD2 3.32Å; A280-D352 WeakPolarHBondContact CA-OD2 3.42Å; A280-D352 WeakPolarHBondContact CB-OD2 3.44Å; K281-D352 PolarHBondContact N-OD1 2.8Å; K281-D352 PolarHBondContact O-N 2.97Å; D352-R354 VanDerWaalsContact C-N 3.33Å
353	G	82.8	Confident	83.6	Confident	20 Å²	20	64.4 Å²	64.4	21%	0.206	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	11.3	-176.7	0	0	0	0	0	115.3	I351 L599	I351-G353 PolarHBondContact O-N 2.84Å; I351-G353 VanDerWaalsContact O-N 3.08Å; G353-L599 WeakPolarHBondContact O-CD1 3.46Å
354	R	84.9	Confident	83.8	Confident	145 Å²	145	56.7 Å²	56.7	55%	0.547	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	154.1	171.1	-65.5	-176.6	177.7	-174.2	-1	110.4	L350 I351 D352	L350-R354 CarbonylContact C-O 3.55Å; L350-R354 WeakPolarHBondContact CA-O 3.24Å; I351-R354 PolarHBondContact N-O 2.93Å; I351-R354 PolarHBondContact O-N 2.76Å; D352-R354 VanDerWaalsContact C-N 3.33Å
355	P	84.9	Confident	84	Confident	74 Å²	74	53.6 Å²	53.6	48%	0.481	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	152.1	177.3	30.5	-33.8	0	0	0	111.1	L350	L350-P355 HydrophobicContact CD2-CB 4.36Å
356	Q	82.8	Confident	84.1	Confident	63 Å²	63	51.1 Å²	51.1	29%	0.294	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-56.7	122.6	177.1	-174.9	-178.7	94.8	0	0	111	L336 V349 I351 F360	L336-Q356 PolarHBondContact O-NE2 3.09Å; V349-Q356 PolarHBondContact O-N 2.84Å; I351-Q356 HydrophobicContact CD1-CB 4.31Å; I351-Q356 HydrophobicContact CD1-CG 4.16Å; Q356-F360 VanDerWaalsContact CD-CD1 3.45Å; Q356-F360 HydrophobicContact CG-CB 3.57Å; Q356-F360 HydrophobicContact CG-CD1 3.65Å; Q356-F360 HydrophobicContact CG-CD2 4.41Å; Q356-F360 HydrophobicContact CG-CE1 4.4Å; Q356-F360 HydrophobicContact CG-CG 3.64Å; Q356-F360 VanDerWaalsContact NE2-CD1 3.28Å
357	P	79.5	Confident	84.3	Confident	59 Å²	59	47.6 Å²	47.6	38%	0.383	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-70.2	148.5	179.3	28.2	-33.6	0	0	0	110.7	N359 F360 I363	P357-N359 PolarHBondContact O-N 3.23Å; P357-F360 HydrophobicContact CG-CB 4.09Å; P357-F360 WeakPolarHBondContact O-CB 3.45Å; P357-F360 PolarHBondContact O-N 3.41Å; P357-I363 HydrophobicContact CG-CD1 4.23Å
358	K	73.4	Confident	84.4	Confident	159 Å²	159	46.2 Å²	46.2	69%	0.691	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-32.7	179.7	-67.4	-178.4	178.7	178.3	0	113.3	F360	K358-F360 VanDerWaalsContact C-N 3.31Å; K358-F360 PolarHBondContact O-N 3.22Å
359	N	73.2	Confident	84.4	Confident	21 Å²	21	45.8 Å²	45.8	11%	0.112	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	12.6	179.9	-63.6	-6.2	0	0	0	113.2	P357 K361 C362 I363 D615 I616	P357-N359 PolarHBondContact O-N 3.23Å; N359-K361 PolarHBondContact O-N 3.1Å; N359-K361 VanDerWaalsContact O-N 3.14Å; N359-C362 WeakPolarHBondContact O-CB 3.34Å; N359-C362 PolarHBondContact O-N 3.45Å; N359-I363 PolarHBondContact O-N 3.42Å; N359-D615 PolarHBondContact ND2-O 3.21Å; N359-I616 WeakPolarHBondContact OD1-CA 3.29Å; N359-I616 WeakPolarHBondContact OD1-CG1 3.33Å
360	F	81	Confident	84.2	Confident	6 Å²	6	50.7 Å²	50.7	3%	0.026	26%	0.259	C	S	.	.	H	α-helix	trans	-54.5	-34.6	-179.4	-175.5	-119.7	0	0	0	113	I351 Q356 P357 K358 C362 I363 S364 F451	I351-F360 HydrophobicContact CD1-CD2 3.55Å; I351-F360 HydrophobicContact CD1-CE1 4.33Å; I351-F360 HydrophobicContact CD1-CE2 3.27Å; I351-F360 HydrophobicContact CD1-CG 4.21Å; I351-F360 HydrophobicContact CD1-CZ 3.69Å; I351-F360 HydrophobicContact CG1-CE2 4.47Å; Q356-F360 VanDerWaalsContact CD-CD1 3.45Å; Q356-F360 HydrophobicContact CG-CB 3.57Å; Q356-F360 HydrophobicContact CG-CD1 3.65Å; Q356-F360 HydrophobicContact CG-CD2 4.41Å; Q356-F360 HydrophobicContact CG-CE1 4.4Å; Q356-F360 HydrophobicContact CG-CG 3.64Å; Q356-F360 VanDerWaalsContact NE2-CD1 3.28Å; P357-F360 HydrophobicContact CG-CB 4.09Å; P357-F360 WeakPolarHBondContact O-CB 3.45Å; P357-F360 PolarHBondContact O-N 3.41Å; K358-F360 VanDerWaalsContact C-N 3.31Å; K358-F360 PolarHBondContact O-N 3.22Å; F360-C362 PolarHBondContact O-N 2.89Å; F360-I363 PolarHBondContact O-N 3.21Å; F360-S364 PolarHBondContact O-N 2.01Å; F360-S364 PolarHBondContact O-OG 2.78Å; F360-S364 VanDerWaalsContact O-OG 3.04Å; F360-F451 AromaticContact CE1-CE2 3.78Å; F360-F451 HydrophobicContact CE1-CE2 3.78Å; F360-F451 HydrophobicContact CE1-CZ 4.07Å; F360-F451 AromaticContact CZ-CE2 3.8Å; F360-F451 HydrophobicContact CZ-CE2 3.8Å; F360-F451 HydrophobicContact CZ-CZ 4.07Å
361	K	77.5	Confident	84	Confident	53 Å²	53	51.7 Å²	51.7	23%	0.23	26%	0.264	C	S	.	.	H	α-helix	trans	-56.6	-21.5	174.9	-64.2	-175.3	178.3	-175.2	0	114.7	G338 N359	G338-K361 WeakPolarHBondContact O-CE 3.38Å; G338-K361 PolarHBondContact O-NZ 2.93Å; N359-K361 PolarHBondContact O-N 3.1Å; N359-K361 VanDerWaalsContact O-N 3.14Å
362	C	72.4	Confident	84	Confident	37 Å²	37	52.3 Å²	52.3	25%	0.25	27%	0.268	C	S	.	.	H	α-helix	trans	-98.7	-13.6	176.2	-58	0	0	0	0	113	N359 F360	N359-C362 WeakPolarHBondContact O-CB 3.34Å; N359-C362 PolarHBondContact O-N 3.45Å; F360-C362 PolarHBondContact O-N 2.89Å
363	I	78.4	Confident	84.2	Confident	77 Å²	77	48.2 Å²	48.2	40%	0.395	25%	0.247	S	C	.	.	H	α-helix	trans	-103.2	-36.3	-174.6	-59.8	166.2	0	0	0	111	P357 N359 F360 P447	P357-I363 HydrophobicContact CG-CD1 4.23Å; N359-I363 PolarHBondContact O-N 3.42Å; F360-I363 PolarHBondContact O-N 3.21Å; I363-P447 WeakPolarHBondContact O-CA 3.3Å; I363-P447 VanDerWaalsContact O-CB 3.25Å; I363-P447 WeakPolarHBondContact O-CB 3.44Å
364	S	87.3	Confident	84.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-84.3	142.5	170.8	64.6	0	0	0	0	111.4	F360 V449	F360-S364 PolarHBondContact O-N 2.01Å; F360-S364 PolarHBondContact O-OG 2.78Å; F360-S364 VanDerWaalsContact O-OG 3.04Å; S364-V449 WeakPolarHBondContact CA-O 3.38Å
365	G	90.1	Very high	84.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	140.8	166.4	0	0	0	0	0	110.4	E442 V449 F451	G365-E442 WeakPolarHBondContact CA-OE2 3.4Å; G365-V449 PolarHBondContact N-O 3.04Å; G365-V449 VanDerWaalsContact N-O 3.11Å; G365-F451 PolarHBondContact O-N 3.22Å
366	Y	92.7	Very high	85.2	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	115.5	173.4	-174.7	-72.1	0	0	0	111.1	L333 D334 A337 V368 E442 F451 D453 K904	L333-Y366 HydrophobicContact CD2-CE2 4.15Å; L333-Y366 HydrophobicContact CG-CE2 4.25Å; D334-Y366 PolarHBondContact OD1-OH 2.99Å; A337-Y366 HydrophobicContact CB-CD2 3.52Å; A337-Y366 HydrophobicContact CB-CE2 3.86Å; Y366-V368 HydrophobicContact CD1-CG1 4.15Å; Y366-V368 HydrophobicContact CE1-CG1 3.79Å; Y366-E442 PolarHBondContact N-OE2 3.39Å; Y366-F451 WeakPolarHBondContact CA-O 3.45Å; Y366-F451 HydrophobicContact CD2-CB 3.54Å; Y366-F451 HydrophobicContact CD2-CD2 4.43Å; Y366-F451 HydrophobicContact CD2-CG 4.2Å; Y366-F451 HydrophobicContact CE2-CB 4.13Å; Y366-F451 HydrophobicContact CG-CB 4.22Å; Y366-D453 PolarHBondContact OH-OD2 2.77Å; Y366-K904 PolarHBondContact OH-NZ 3.49Å
367	V	93.5	Very high	85.8	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	123.1	174.5	-177.6	0	0	0	0	108.9	I439 E442 L450 F451 L452 D453	V367-I439 HydrophobicContact CG1-CG1 4.33Å; V367-I439 HydrophobicContact CG2-CB 4.47Å; V367-I439 HydrophobicContact CG2-CG1 4.01Å; V367-E442 HydrophobicContact CG2-CB 4.41Å; V367-E442 HydrophobicContact CG2-CG 4.06Å; V367-L450 HydrophobicContact CG2-CD1 4.31Å; V367-F451 PolarHBondContact N-O 3.22Å; V367-L452 HydrophobicContact CB-CB 4.15Å; V367-L452 HydrophobicContact CB-CD2 4.01Å; V367-L452 HydrophobicContact CB-CG 3.93Å; V367-L452 HydrophobicContact CG1-CD2 4.33Å; V367-L452 HydrophobicContact CG2-CD2 4Å; V367-L452 HydrophobicContact CG2-CG 4.08Å; V367-L452 WeakPolarHBondContact O-CA 3.49Å; V367-D453 PolarHBondContact O-N 3.06Å
368	V	91.8	Very high	86.5	Confident	18 Å²	18	34.4 Å²	34.4	11%	0.109	18%	0.176	C	C	.	.			trans	-75.7	163.5	175.6	-81.6	0	0	0	0	112	Y366 D370 I372 K435	Y366-V368 HydrophobicContact CD1-CG1 4.15Å; Y366-V368 HydrophobicContact CE1-CG1 3.79Å; V368-D370 WeakPolarHBondContact CG2-O 3.32Å; V368-I372 HydrophobicContact CG2-CB 4.49Å; V368-I372 HydrophobicContact CG2-CD1 4.19Å; V368-I372 HydrophobicContact CG2-CG1 4.27Å; V368-K435 PolarHBondContact O-NZ 3.44Å
369	Q	90.3	Very high	87.6	Confident	82 Å²	82	26.9 Å²	26.9	38%	0.383	14%	0.143	S	C	.	.	S	Bend	trans	-61.6	-58.2	175.9	-172.3	175.2	27	0	0	110.8	K435 D453 E454	Q369-K435 PolarHBondContact O-NZ 2.88Å; Q369-D453 WeakPolarHBondContact CA-O 3.24Å; Q369-D453 HydrophobicContact CB-CB 4.38Å; Q369-E454 HydrophobicContact CG-CB 4.32Å; Q369-E454 PolarHBondContact NE2-OE2 3.22Å
370	D	86.6	Confident	88.8	Confident	123 Å²	123	29.3 Å²	29.3	66%	0.658	15%	0.151	S	C	*	.	S	Bend	trans	-75.6	133.8	172.6	-57.9	-48.2	0	0	0	111.6	V368 I372	V368-D370 WeakPolarHBondContact CG2-O 3.32Å; D370-I372 PolarHBondContact O-N 2.83Å
371	D	87.1	Confident	89.5	Confident	24 Å²	24	31.5 Å²	31.5	13%	0.128	16%	0.162	C	C	.	.			trans	-78.8	82.5	-178.8	-77.3	-21.6	0	0	0	112.8	V373 R434 K435	D371-V373 HydrophobicContact CB-CG2 4.34Å; D371-V373 PolarHBondContact O-N 2.89Å; D371-R434 HydrophobicContact CB-CG 3.8Å; D371-R434 PolarHBondContact O-NE 2.99Å; D371-R434 PolarHBondContact O-NH2 3.25Å; D371-K435 VanDerWaalsContact CG-CD 3.49Å; D371-K435 WeakPolarHBondContact OD1-CD 3.44Å; D371-K435 WeakPolarHBondContact OD1-CE 3.41Å; D371-K435 IonicContact OD1-NZ 2.75Å; D371-K435 PolarHBondContact OD1-NZ 3.15Å; D371-K435 WeakPolarHBondContact OD2-CA 3.46Å; D371-K435 VanDerWaalsContact OD2-CD 3.3Å; D371-K435 WeakPolarHBondContact OD2-CD 3.28Å; D371-K435 PolarHBondContact OD2-N 3.06Å
372	I	87.2	Confident	90.4	Very high	36 Å²	36	29.2 Å²	29.2	19%	0.185	15%	0.152	C	C	.	.			trans	-70.5	90.2	172.8	-56	174.1	0	0	0	109.2	V368 D370 V703 L704 H707	V368-I372 HydrophobicContact CG2-CB 4.49Å; V368-I372 HydrophobicContact CG2-CD1 4.19Å; V368-I372 HydrophobicContact CG2-CG1 4.27Å; D370-I372 PolarHBondContact O-N 2.83Å; I372-V703 HydrophobicContact CD1-CG1 3.99Å; I372-V703 HydrophobicContact CG1-CG1 4.48Å; I372-L704 HydrophobicContact CG2-CB 4.22Å; I372-L704 HydrophobicContact CG2-CD1 3.67Å; I372-H707 HydrophobicContact CB-CB 4.44Å; I372-H707 HydrophobicContact CD1-CB 3.85Å; I372-H707 HydrophobicContact CG2-CB 3.89Å
373	V	91.7	Very high	91.5	Very high	15 Å²	15	27.4 Å²	27.4	9%	0.091	14%	0.14	C	C	.	.			trans	-136.6	146.6	-179	-171.3	0	0	0	0	108.8	D371 G375 N382 V421 T437 M441	D371-V373 HydrophobicContact CB-CG2 4.34Å; D371-V373 PolarHBondContact O-N 2.89Å; V373-G375 PolarHBondContact O-N 2.95Å; V373-G375 VanDerWaalsContact O-N 3.14Å; V373-N382 HydrophobicContact CG1-CB 4.27Å; V373-N382 WeakPolarHBondContact CG1-OD1 3.32Å; V373-V421 HydrophobicContact CB-CG1 4.31Å; V373-V421 HydrophobicContact CG1-CB 4.49Å; V373-V421 HydrophobicContact CG1-CG1 4.01Å; V373-V421 HydrophobicContact CG1-CG2 4.12Å; V373-T437 HydrophobicContact CG1-CG2 4.24Å; V373-M441 HydrophobicContact CB-CE 4.45Å; V373-M441 HydrophobicContact CG1-CE 4.32Å; V373-M441 HydrophobicContact CG1-SD 4.32Å; V373-M441 HydrophobicContact CG2-CE 3.94Å
374	M	91.5	Very high	92.3	Very high	29 Å²	29	25.2 Å²	25.2	14%	0.143	13%	0.131	C	C	.	.			trans	-77.9	101.9	-177.9	-163.3	69.2	-169.3	0	0	111.2	T376 L377 N382 N636 L704	M374-T376 VanDerWaalsContact C-N 3.29Å; M374-T376 PolarHBondContact O-N 2.93Å; M374-L377 HydrophobicContact CB-CB 4.46Å; M374-L377 HydrophobicContact CG-CD1 4.01Å; M374-L377 PolarHBondContact O-N 3.48Å; M374-L377 VanDerWaalsContact O-N 3.16Å; M374-N382 WeakPolarHBondContact CB-OD1 3.18Å; M374-N382 PolarHBondContact N-OD1 3.46Å; M374-N382 VanDerWaalsContact N-OD1 3.16Å; M374-N382 PolarHBondContact O-ND2 2.84Å; M374-N382 VanDerWaalsContact O-ND2 3.12Å; M374-N636 HydrophobicContact CE-CB 4.14Å; M374-N636 VanDerWaalsContact CE-CG 3.41Å; M374-N636 WeakPolarHBondContact CE-OD1 3.46Å; M374-L704 HydrophobicContact SD-CD2 3.45Å; M374-L704 WeakPolarHBondContact SD-CD2 3.04Å
375	G	90.8	Very high	92.7	Very high	10 Å²	10	25.8 Å²	25.8	10%	0.103	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.5	-171.8	0	0	0	0	0	116.5	V373 L377 G422	V373-G375 PolarHBondContact O-N 2.95Å; V373-G375 VanDerWaalsContact O-N 3.14Å; G375-L377 VanDerWaalsContact C-N 3.33Å; G375-G422 WeakPolarHBondContact CA-O 3.29Å; G375-G422 PolarHBondContact O-N 3.44Å
376	T	91.2	Very high	92.8	Very high	13 Å²	13	25.8 Å²	25.8	8%	0.08	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-11.2	179.1	52.2	0	0	0	0	113.8	M374 T423 N636 R639 D640	M374-T376 VanDerWaalsContact C-N 3.29Å; M374-T376 PolarHBondContact O-N 2.93Å; T376-T423 HydrophobicContact CG2-CG2 4.34Å; T376-N636 WeakPolarHBondContact CB-OD1 3.22Å; T376-N636 WeakPolarHBondContact CG2-OD1 3.31Å; T376-N636 PolarHBondContact OG1-OD1 2.92Å; T376-R639 VanDerWaalsContact O-CD 3.27Å; T376-R639 WeakPolarHBondContact O-CD 3.39Å; T376-R639 PolarHBondContact O-NH1 3.42Å; T376-D640 HydrophobicContact CG2-CB 4.06Å
377	L	94.2	Very high	92.8	Very high	5 Å²	5	25.9 Å²	25.9	3%	0.026	13%	0.134	C	C	.	.	S	Bend	trans	-96.7	158.6	174.9	-89.4	60.2	0	0	0	110.9	M374 G375 E381 N382 V421 R632 L635	M374-L377 HydrophobicContact CB-CB 4.46Å; M374-L377 HydrophobicContact CG-CD1 4.01Å; M374-L377 PolarHBondContact O-N 3.48Å; M374-L377 VanDerWaalsContact O-N 3.16Å; G375-L377 VanDerWaalsContact C-N 3.33Å; L377-E381 WeakPolarHBondContact CA-OE2 3.41Å; L377-E381 HydrophobicContact CB-CB 4Å; L377-E381 HydrophobicContact CD2-CB 4.13Å; L377-E381 HydrophobicContact CG-CB 4.02Å; L377-N382 VanDerWaalsContact CB-ND2 3.29Å; L377-N382 WeakPolarHBondContact CB-ND2 3.33Å; L377-V421 PolarHBondContact O-N 3.28Å; L377-R632 HydrophobicContact CD1-CG 4.26Å; L377-R632 HydrophobicContact CD2-CG 3.94Å; L377-L635 HydrophobicContact CD1-CD2 4.42Å; L377-L635 HydrophobicContact CG-CD2 4.49Å
378	T	95.8	Very high	92.8	Very high	14 Å²	14	26.1 Å²	26.1	9%	0.086	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-75.4	167.1	171.5	73.4	0	0	0	0	111.9	R380 E381 N382 D418 S419	T378-R380 VanDerWaalsContact C-N 3.33Å; T378-R380 PolarHBondContact O-N 3.16Å; T378-E381 PolarHBondContact N-OE2 2.9Å; T378-E381 PolarHBondContact O-N 3.3Å; T378-E381 WeakPolarHBondContact OG1-CB 3.43Å; T378-E381 VanDerWaalsContact OG1-CG 3.28Å; T378-E381 WeakPolarHBondContact OG1-CG 3.07Å; T378-E381 PolarHBondContact OG1-N 2.85Å; T378-N382 PolarHBondContact O-N 2.9Å; T378-N382 PolarHBondContact O-ND2 2.99Å; T378-D418 VanDerWaalsContact CG2-O 3.23Å; T378-D418 WeakPolarHBondContact CG2-O 3.15Å; T378-S419 WeakPolarHBondContact CA-O 3.42Å; T378-S419 WeakPolarHBondContact CB-O 3.47Å
379	V	96.7	Very high	92.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-56.1	-49.1	172.3	172.3	0	0	0	0	110.4	E381 N382 L383 L413 V416 A417 S419 V421 V429 T437	V379-E381 PolarHBondContact O-N 3.31Å; V379-N382 PolarHBondContact O-N 2.99Å; V379-L383 HydrophobicContact CG1-CD1 4.16Å; V379-L383 WeakPolarHBondContact O-CG 3.4Å; V379-L383 PolarHBondContact O-N 2.67Å; V379-L383 VanDerWaalsContact O-N 3.13Å; V379-L413 HydrophobicContact CG1-CB 4.47Å; V379-L413 HydrophobicContact CG1-CD1 4.02Å; V379-V416 WeakPolarHBondContact CG2-O 3.15Å; V379-A417 WeakPolarHBondContact CB-O 3.07Å; V379-A417 PolarHBondContact N-O 2.99Å; V379-S419 PolarHBondContact N-O 2.92Å; V379-V421 HydrophobicContact CG2-CG2 4.05Å; V379-V429 HydrophobicContact CG2-CG1 4.07Å; V379-T437 HydrophobicContact CB-CG2 4.42Å; V379-T437 HydrophobicContact CG1-CG2 4.01Å; V379-T437 HydrophobicContact CG2-CG2 4.37Å
380	R	97.2	Very high	92.7	Very high	73 Å²	73	22.2 Å²	22.2	28%	0.275	12%	0.116	S	C	.	.	H	α-helix	trans	-60.9	-40.8	177.2	-170.5	-172.4	-55.1	-79	1.9	112.3	T378 L383 S384 V404 N405 I408 A417 D418	T378-R380 VanDerWaalsContact C-N 3.33Å; T378-R380 PolarHBondContact O-N 3.16Å; R380-L383 PolarHBondContact O-N 3.28Å; R380-S384 VanDerWaalsContact O-CB 3.27Å; R380-S384 WeakPolarHBondContact O-CB 3.5Å; R380-S384 PolarHBondContact O-N 2.95Å; R380-S384 PolarHBondContact O-OG 2.86Å; R380-S384 VanDerWaalsContact O-OG 3.1Å; R380-V404 HydrophobicContact CG-CG1 4.08Å; R380-N405 PolarHBondContact NH1-OD1 3.17Å; R380-I408 HydrophobicContact CB-CD1 4.17Å; R380-I408 HydrophobicContact CG-CD1 4.09Å; R380-A417 VanDerWaalsContact CB-O 3.25Å; R380-A417 WeakPolarHBondContact CB-O 3.48Å; R380-A417 PolarHBondContact N-O 3.48Å; R380-D418 WeakPolarHBondContact CD-OD1 3.2Å; R380-D418 IonicContact CZ-OD1 3.83Å; R380-D418 IonicContact CZ-OD2 3.58Å; R380-D418 IonicContact NE-OD1 3.51Å; R380-D418 PolarHBondContact NE-OD1 3.11Å; R380-D418 IonicContact NE-OD2 3.16Å; R380-D418 PolarHBondContact NE-OD2 2.94Å; R380-D418 IonicContact NH2-OD1 2.75Å; R380-D418 IonicContact NH2-OD2 2.75Å; R380-D418 PolarHBondContact NH2-OD2 3.07Å
381	E	96.5	Very high	92.6	Very high	52 Å²	52	17 Å²	17	24%	0.243	9%	0.088	C	C	.	.	H	α-helix	trans	-68.6	-39.8	179.2	-74.8	170.6	158.1	0	0	113.1	L377 T378 V379 L383 S384 F385 R639	L377-E381 WeakPolarHBondContact CA-OE2 3.41Å; L377-E381 HydrophobicContact CB-CB 4Å; L377-E381 HydrophobicContact CD2-CB 4.13Å; L377-E381 HydrophobicContact CG-CB 4.02Å; T378-E381 PolarHBondContact N-OE2 2.9Å; T378-E381 PolarHBondContact O-N 3.3Å; T378-E381 WeakPolarHBondContact OG1-CB 3.43Å; T378-E381 VanDerWaalsContact OG1-CG 3.28Å; T378-E381 WeakPolarHBondContact OG1-CG 3.07Å; T378-E381 PolarHBondContact OG1-N 2.85Å; V379-E381 PolarHBondContact O-N 3.31Å; E381-L383 VanDerWaalsContact C-N 3.35Å; E381-S384 PolarHBondContact O-N 2.98Å; E381-F385 VanDerWaalsContact O-CB 3.26Å; E381-F385 WeakPolarHBondContact O-CB 3.24Å; E381-F385 PolarHBondContact O-N 3Å; E381-R639 IonicContact OE1-CZ 2.65Å; E381-R639 IonicContact OE1-NH1 3.76Å; E381-R639 PolarHBondContact OE1-NH1 3.41Å; E381-R639 IonicContact OE1-NH2 2.83Å; E381-R639 PolarHBondContact OE1-NH2 2.91Å; E381-R639 IonicContact OE2-CZ 2.74Å; E381-R639 IonicContact OE2-NH1 2.81Å; E381-R639 PolarHBondContact OE2-NH1 2.68Å; E381-R639 IonicContact OE2-NH2 2.68Å
382	N	95.9	Very high	92.1	Very high	4 Å²	4	19 Å²	19	2%	0.021	10%	0.101	C	C	.	.	H	α-helix	trans	-61.6	-44.1	174.1	-82.5	-81.3	0	0	0	110.7	V373 M374 L377 T378 V379 F385 S386 M441	V373-N382 HydrophobicContact CG1-CB 4.27Å; V373-N382 WeakPolarHBondContact CG1-OD1 3.32Å; M374-N382 WeakPolarHBondContact CB-OD1 3.18Å; M374-N382 PolarHBondContact N-OD1 3.46Å; M374-N382 VanDerWaalsContact N-OD1 3.16Å; M374-N382 PolarHBondContact O-ND2 2.84Å; M374-N382 VanDerWaalsContact O-ND2 3.12Å; L377-N382 VanDerWaalsContact CB-ND2 3.29Å; L377-N382 WeakPolarHBondContact CB-ND2 3.33Å; T378-N382 PolarHBondContact O-N 2.9Å; T378-N382 PolarHBondContact O-ND2 2.99Å; V379-N382 PolarHBondContact O-N 2.99Å; N382-F385 PolarHBondContact O-N 3.37Å; N382-S386 PolarHBondContact O-N 3.01Å; N382-S386 VanDerWaalsContact O-N 3.08Å; N382-M441 HydrophobicContact CB-SD 3.91Å
383	L	95.8	Very high	91.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.1	-45.7	175.4	-65.4	172.1	0	0	0	112.3	V379 R380 E381 F385 S386 A387 V404 I407 I408 M441 I444	V379-L383 HydrophobicContact CG1-CD1 4.16Å; V379-L383 WeakPolarHBondContact O-CG 3.4Å; V379-L383 PolarHBondContact O-N 2.67Å; V379-L383 VanDerWaalsContact O-N 3.13Å; R380-L383 PolarHBondContact O-N 3.28Å; E381-L383 VanDerWaalsContact C-N 3.35Å; L383-F385 VanDerWaalsContact C-N 3.31Å; L383-F385 PolarHBondContact O-N 2.89Å; L383-S386 WeakPolarHBondContact O-CB 3.42Å; L383-S386 PolarHBondContact O-N 3.35Å; L383-A387 WeakPolarHBondContact O-CB 3.37Å; L383-A387 PolarHBondContact O-N 3.27Å; L383-V404 HydrophobicContact CB-CG1 3.8Å; L383-V404 HydrophobicContact CB-CG2 4.18Å; L383-V404 HydrophobicContact CD1-CG1 4.41Å; L383-I407 HydrophobicContact CD2-CG2 4.4Å; L383-I408 HydrophobicContact CD1-CD1 4.05Å; L383-I408 HydrophobicContact CD1-CG1 3.43Å; L383-I408 VanDerWaalsContact CD1-CG1 3.43Å; L383-M441 HydrophobicContact CD2-CG 4.13Å; L383-I444 HydrophobicContact CB-CD1 4.44Å; L383-I444 HydrophobicContact CD2-CG1 4.44Å
384	S	95	Very high	90.7	Very high	30 Å²	30	27.7 Å²	27.7	21%	0.21	14%	0.14	C	C	.	.	H	α-helix	trans	-65.7	-29.4	176.6	-71.7	0	0	0	0	113.5	R380 E381 A388	R380-S384 VanDerWaalsContact O-CB 3.27Å; R380-S384 WeakPolarHBondContact O-CB 3.5Å; R380-S384 PolarHBondContact O-N 2.95Å; R380-S384 PolarHBondContact O-OG 2.86Å; R380-S384 VanDerWaalsContact O-OG 3.1Å; E381-S384 PolarHBondContact O-N 2.98Å; S384-A388 VanDerWaalsContact O-CB 3.22Å; S384-A388 WeakPolarHBondContact O-CB 3.32Å; S384-A388 PolarHBondContact O-N 2.72Å
385	F	94.5	Very high	90.3	Very high	13 Å²	13	31.1 Å²	31.1	6%	0.057	15%	0.153	C	C	.	.	H	α-helix	trans	-67.9	-46.2	170.8	178.2	-96.1	0	0	0	111	E381 N382 L383 A388 L389 V629 R632 E708 Y713 Y714	E381-F385 VanDerWaalsContact O-CB 3.26Å; E381-F385 WeakPolarHBondContact O-CB 3.24Å; E381-F385 PolarHBondContact O-N 3Å; N382-F385 PolarHBondContact O-N 3.37Å; L383-F385 VanDerWaalsContact C-N 3.31Å; L383-F385 PolarHBondContact O-N 2.89Å; F385-A388 PolarHBondContact O-N 2.72Å; F385-L389 HydrophobicContact CD1-CD1 4.1Å; F385-L389 HydrophobicContact CD2-CD1 4.28Å; F385-L389 HydrophobicContact CE1-CD1 3.54Å; F385-L389 HydrophobicContact CE2-CD1 3.76Å; F385-L389 HydrophobicContact CG-CD1 4.43Å; F385-L389 HydrophobicContact CZ-CD1 3.36Å; F385-L389 WeakPolarHBondContact O-CG 3.07Å; F385-L389 PolarHBondContact O-N 3.27Å; F385-V629 HydrophobicContact CE2-CG2 4.32Å; F385-V629 HydrophobicContact CZ-CG2 4.18Å; F385-R632 HydrophobicContact CD2-CB 4.24Å; F385-R632 HydrophobicContact CE2-CB 4Å; F385-E708 WeakPolarHBondContact CE1-OE1 3.28Å; F385-Y713 HydrophobicContact CD1-CD1 4.41Å; F385-Y713 HydrophobicContact CE1-CD1 4.1Å; F385-Y714 HydrophobicContact CZ-CD1 4.48Å; F385-Y714 HydrophobicContact CZ-CE1 4.26Å
386	S	93.2	Very high	90.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.9	-48.7	172.3	-173.7	0	0	0	0	111.5	N382 L383 A388 L389 R390 M441	N382-S386 PolarHBondContact O-N 3.01Å; N382-S386 VanDerWaalsContact O-N 3.08Å; L383-S386 WeakPolarHBondContact O-CB 3.42Å; L383-S386 PolarHBondContact O-N 3.35Å; S386-A388 VanDerWaalsContact C-N 3.33Å; S386-A388 PolarHBondContact O-N 3.01Å; S386-L389 PolarHBondContact O-N 3.35Å; S386-R390 PolarHBondContact O-N 3.15Å; S386-R390 WeakPolarHBondContact OG-CD 3.37Å; S386-M441 PolarHBondContact OG-O 2.86Å
387	A	93.1	Very high	90	Very high	2 Å²	2	36.5 Å²	36.5	2%	0.017	18%	0.184	C	C	.	.	H	α-helix	trans	-58.4	-42.4	178.4	0	0	0	0	0	112.6	L383 L389 M391 R400 V404 I444	L383-A387 WeakPolarHBondContact O-CB 3.37Å; L383-A387 PolarHBondContact O-N 3.27Å; A387-L389 PolarHBondContact O-N 3.11Å; A387-M391 HydrophobicContact CB-SD 3.82Å; A387-M391 WeakPolarHBondContact O-CB 3.45Å; A387-M391 PolarHBondContact O-N 3.44Å; A387-R400 HydrophobicContact CB-CB 4.37Å; A387-V404 HydrophobicContact CB-CG2 3.86Å; A387-I444 HydrophobicContact CB-CD1 4.15Å; A387-I444 HydrophobicContact CB-CG2 4.15Å
388	A	92	Very high	89.9	Confident	5 Å²	5	42.2 Å²	42.2	4%	0.041	21%	0.21	C	C	.	.	H	α-helix	trans	-70.1	-13.4	-177.3	0	0	0	0	0	114.4	S384 F385 S386 R624 K628	S384-A388 VanDerWaalsContact O-CB 3.22Å; S384-A388 WeakPolarHBondContact O-CB 3.32Å; S384-A388 PolarHBondContact O-N 2.72Å; F385-A388 PolarHBondContact O-N 2.72Å; S386-A388 VanDerWaalsContact C-N 3.33Å; S386-A388 PolarHBondContact O-N 3.01Å; A388-R624 PolarHBondContact O-NE 3.25Å; A388-K628 HydrophobicContact CB-CD 3.81Å; A388-K628 HydrophobicContact CB-CG 3.93Å
389	L	91	Very high	89.7	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-115.6	-39.8	-175.4	-67.3	179.7	0	0	0	114.2	F385 S386 A387 A620 Q625 K628 Y713 Y714	F385-L389 HydrophobicContact CD1-CD1 4.1Å; F385-L389 HydrophobicContact CD2-CD1 4.28Å; F385-L389 HydrophobicContact CE1-CD1 3.54Å; F385-L389 HydrophobicContact CE2-CD1 3.76Å; F385-L389 HydrophobicContact CG-CD1 4.43Å; F385-L389 HydrophobicContact CZ-CD1 3.36Å; F385-L389 WeakPolarHBondContact O-CG 3.07Å; F385-L389 PolarHBondContact O-N 3.27Å; S386-L389 PolarHBondContact O-N 3.35Å; A387-L389 PolarHBondContact O-N 3.11Å; L389-A620 VanDerWaalsContact O-CB 3.28Å; L389-A620 WeakPolarHBondContact O-CB 3.44Å; L389-A620 PolarHBondContact O-N 3.33Å; L389-Q625 HydrophobicContact CD2-CB 4.18Å; L389-Q625 HydrophobicContact CD2-CG 4.18Å; L389-K628 HydrophobicContact CD2-CB 4.09Å; L389-Y713 HydrophobicContact CD1-CD1 4.22Å; L389-Y714 HydrophobicContact CD1-CD1 4.04Å
390	R	88.9	Confident	89.5	Confident	18 Å²	18	46 Å²	46	7%	0.068	23%	0.226	C	C	.	.	H	α-helix	trans	-98.4	-20.8	-173.5	-61.3	171.9	69.8	167.3	4.9	114.4	S386 M441 E442 T445 A619 Y713	S386-R390 PolarHBondContact O-N 3.15Å; S386-R390 WeakPolarHBondContact OG-CD 3.37Å; R390-M441 PolarHBondContact NH1-O 2.97Å; R390-E442 IonicContact CZ-OE1 3.77Å; R390-E442 IonicContact CZ-OE2 2.63Å; R390-E442 IonicContact NH1-OE1 2.67Å; R390-E442 PolarHBondContact NH1-OE1 2.76Å; R390-E442 IonicContact NH1-OE2 2.85Å; R390-E442 PolarHBondContact NH1-OE2 3.34Å; R390-E442 IonicContact NH2-OE1 2.95Å; R390-E442 IonicContact NH2-OE2 2.68Å; R390-E442 PolarHBondContact NH2-OE2 3.19Å; R390-T445 HydrophobicContact CB-CG2 3.43Å; R390-T445 VanDerWaalsContact CB-CG2 3.43Å; R390-T445 HydrophobicContact CG-CG2 4.31Å; R390-A619 WeakPolarHBondContact O-CB 3.41Å; R390-Y713 HydrophobicContact CG-CD1 4.28Å; R390-Y713 HydrophobicContact CG-CD2 4.47Å; R390-Y713 HydrophobicContact CG-CE1 4.5Å; R390-Y713 HydrophobicContact CG-CG 4.26Å; R390-Y713 VanDerWaalsContact NH1-CE2 3.31Å; R390-Y713 VanDerWaalsContact NH1-CZ 3.34Å; R390-Y713 PolarHBondContact NH1-OH 3Å
391	M	85.8	Confident	89.3	Confident	13 Å²	13	46.2 Å²	46.2	6%	0.064	23%	0.233	C	C	.	.	S	Bend	trans	-78.5	144.6	171.5	-61.5	177.5	70.2	0	0	110.3	A387 Y395 R400 K403 I444	A387-M391 HydrophobicContact CB-SD 3.82Å; A387-M391 WeakPolarHBondContact O-CB 3.45Å; A387-M391 PolarHBondContact O-N 3.44Å; M391-Y395 HydrophobicContact CB-CD2 4.21Å; M391-Y395 HydrophobicContact CE-CD1 4.1Å; M391-Y395 HydrophobicContact CE-CD2 3.83Å; M391-Y395 HydrophobicContact CE-CE1 4.22Å; M391-Y395 HydrophobicContact CE-CE2 3.97Å; M391-Y395 HydrophobicContact CE-CG 3.9Å; M391-R400 HydrophobicContact CE-CG 4.09Å; M391-R400 HydrophobicContact SD-CB 4.34Å; M391-R400 HydrophobicContact SD-CG 3.83Å; M391-K403 HydrophobicContact CE-CB 4.06Å; M391-K403 HydrophobicContact CE-CG 3.93Å; M391-K403 HydrophobicContact SD-CB 4.39Å; M391-K403 HydrophobicContact SD-CG 4.27Å; M391-I444 HydrophobicContact CG-CG2 3.89Å; M391-I444 HydrophobicContact SD-CG2 4.24Å
392	T	77.2	Confident	89.2	Confident	65 Å²	65	48.2 Å²	48.2	40%	0.399	24%	0.242	S	C	.	.			trans	-62.9	164.7	-179.1	60.8	0	0	0	0	112.4	H394 Y395 R400	T392-H394 VanDerWaalsContact C-N 3.32Å; T392-H394 PolarHBondContact O-N 3.5Å; T392-Y395 WeakPolarHBondContact OG1-CE2 3.37Å; T392-R400 PolarHBondContact O-NH2 2.89Å
393	M	70.3	Confident	89.1	Confident	81 Å²	81	49.8 Å²	49.8	40%	0.399	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-32.6	-176.9	-83	-67.7	166.9	0	0	114.6	Y395 R400 A620 S621 R624	M393-Y395 PolarHBondContact O-N 3.03Å; M393-Y395 VanDerWaalsContact O-N 3.11Å; M393-Y395 VanDerWaalsContact O-O 3.12Å; M393-R400 PolarHBondContact O-NH2 2.94Å; M393-R400 VanDerWaalsContact O-NH2 3.08Å; M393-A620 HydrophobicContact CE-CB 4.42Å; M393-S621 WeakPolarHBondContact CE-OG 2.95Å; M393-R624 HydrophobicContact CE-CB 4.04Å; M393-R624 HydrophobicContact CE-CG 4.31Å
394	H	78.3	Confident	89	Confident	154 Å²	154	49.8 Å²	49.8	71%	0.713	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.8	-171.8	-58.2	-72.9	0	0	0	114.3	T392	T392-H394 VanDerWaalsContact C-N 3.32Å; T392-H394 PolarHBondContact O-N 3.5Å
395	Y	82.9	Confident	89.1	Confident	101 Å²	101	51 Å²	51	40%	0.396	25%	0.253	S	S	.	.	S	Bend	trans	-65.9	146	177.5	-63.8	-79.9	0	0	0	112.5	M391 T392 M393 E399 R400	M391-Y395 HydrophobicContact CB-CD2 4.21Å; M391-Y395 HydrophobicContact CE-CD1 4.1Å; M391-Y395 HydrophobicContact CE-CD2 3.83Å; M391-Y395 HydrophobicContact CE-CE1 4.22Å; M391-Y395 HydrophobicContact CE-CE2 3.97Å; M391-Y395 HydrophobicContact CE-CG 3.9Å; T392-Y395 WeakPolarHBondContact OG1-CE2 3.37Å; M393-Y395 PolarHBondContact O-N 3.03Å; M393-Y395 VanDerWaalsContact O-N 3.11Å; M393-Y395 VanDerWaalsContact O-O 3.12Å; Y395-E399 WeakPolarHBondContact CA-OE2 3.32Å; Y395-E399 HydrophobicContact CD1-CB 4.2Å; Y395-R400 PolarHBondContact O-NH1 2.8Å; Y395-R400 PolarHBondContact O-NH2 3.45Å
396	T	88.9	Confident	89.1	Confident	58 Å²	58	51 Å²	51	36%	0.356	25%	0.254	S	S	.	.			trans	-72.5	178.5	168.8	62.6	0	0	0	0	111.5	E398 E399 R400	T396-E398 VanDerWaalsContact C-N 3.31Å; T396-E398 WeakPolarHBondContact CB-OE2 3.47Å; T396-E399 PolarHBondContact N-OE2 2.66Å; T396-E399 WeakPolarHBondContact OG1-CB 3.16Å; T396-E399 WeakPolarHBondContact OG1-CG 3.26Å; T396-E399 PolarHBondContact OG1-N 3.14Å; T396-E399 PolarHBondContact OG1-OE1 3.05Å; T396-E399 PolarHBondContact OG1-OE2 3.3Å; T396-R400 WeakPolarHBondContact O-CG 3.16Å; T396-R400 PolarHBondContact O-NH1 3.06Å
397	T	87.3	Confident	89.1	Confident	78 Å²	78	51.2 Å²	51.2	48%	0.479	26%	0.255	S	S	.	.	H	α-helix	trans	-75.3	-33.7	173.1	-58.2	0	0	0	0	109.9	R400 N401	T397-R400 PolarHBondContact O-N 2.88Å; T397-N401 VanDerWaalsContact O-CG 3.22Å; T397-N401 PolarHBondContact O-N 2.73Å; T397-N401 PolarHBondContact O-ND2 3.06Å; T397-N401 PolarHBondContact O-OD1 3.45Å
398	E	91	Very high	89.2	Confident	125 Å²	125	51.2 Å²	51.2	58%	0.584	25%	0.254	S	S	*	.	H	α-helix	trans	-68	-47.1	-176.5	-62.4	57	-126.7	0	0	109.7	T396 R400 N401 Q402	T396-E398 VanDerWaalsContact C-N 3.31Å; T396-E398 WeakPolarHBondContact CB-OE2 3.47Å; E398-R400 VanDerWaalsContact C-N 3.35Å; E398-R400 PolarHBondContact O-N 2.98Å; E398-N401 PolarHBondContact O-N 2.8Å; E398-Q402 WeakPolarHBondContact O-CB 3.13Å; E398-Q402 PolarHBondContact O-N 2.99Å
399	E	92.4	Very high	89.3	Confident	82 Å²	82	55.2 Å²	55.2	38%	0.383	28%	0.275	S	S	.	.	H	α-helix	trans	-62.1	-37.4	171.9	-75	157	-161.6	0	0	113	Y395 T396 Q402 K403	Y395-E399 WeakPolarHBondContact CA-OE2 3.32Å; Y395-E399 HydrophobicContact CD1-CB 4.2Å; T396-E399 PolarHBondContact N-OE2 2.66Å; T396-E399 WeakPolarHBondContact OG1-CB 3.16Å; T396-E399 WeakPolarHBondContact OG1-CG 3.26Å; T396-E399 PolarHBondContact OG1-N 3.14Å; T396-E399 PolarHBondContact OG1-OE1 3.05Å; T396-E399 PolarHBondContact OG1-OE2 3.3Å; E399-Q402 PolarHBondContact O-N 3.45Å; E399-K403 VanDerWaalsContact O-CB 3.32Å; E399-K403 WeakPolarHBondContact O-CB 3.28Å; E399-K403 PolarHBondContact O-N 2.86Å
400	R	91.8	Very high	89.3	Confident	10 Å²	10	56.5 Å²	56.5	4%	0.038	28%	0.281	C	S	.	.	H	α-helix	trans	-68.5	-40.1	175.9	-70.1	-174.1	-168.1	83.6	6.5	111.3	A387 M391 T392 M393 Y395 T396 T397 E398 K403 V404 R624	A387-R400 HydrophobicContact CB-CB 4.37Å; M391-R400 HydrophobicContact CE-CG 4.09Å; M391-R400 HydrophobicContact SD-CB 4.34Å; M391-R400 HydrophobicContact SD-CG 3.83Å; T392-R400 PolarHBondContact O-NH2 2.89Å; M393-R400 PolarHBondContact O-NH2 2.94Å; M393-R400 VanDerWaalsContact O-NH2 3.08Å; Y395-R400 PolarHBondContact O-NH1 2.8Å; Y395-R400 PolarHBondContact O-NH2 3.45Å; T396-R400 WeakPolarHBondContact O-CG 3.16Å; T396-R400 PolarHBondContact O-NH1 3.06Å; T397-R400 PolarHBondContact O-N 2.88Å; E398-R400 VanDerWaalsContact C-N 3.35Å; E398-R400 PolarHBondContact O-N 2.98Å; R400-K403 PolarHBondContact O-N 3.38Å; R400-V404 WeakPolarHBondContact O-CG2 3.39Å; R400-V404 PolarHBondContact O-N 3.06Å; R400-R624 VanDerWaalsContact NH1-NH2 3.14Å
401	N	93.8	Very high	89.5	Confident	78 Å²	78	55.8 Å²	55.8	42%	0.417	28%	0.279	S	S	.	.	H	α-helix	trans	-65.4	-41.9	174.7	-67.3	-14.5	0	0	0	111	T397 E398 K403 V404 N405	T397-N401 VanDerWaalsContact O-CG 3.22Å; T397-N401 PolarHBondContact O-N 2.73Å; T397-N401 PolarHBondContact O-ND2 3.06Å; T397-N401 PolarHBondContact O-OD1 3.45Å; E398-N401 PolarHBondContact O-N 2.8Å; N401-K403 VanDerWaalsContact C-N 3.34Å; N401-K403 PolarHBondContact O-N 3.34Å; N401-V404 WeakPolarHBondContact O-CB 3.43Å; N401-V404 PolarHBondContact O-N 2.75Å; N401-N405 PolarHBondContact O-N 3.16Å
402	Q	94.6	Very high	89.8	Confident	95 Å²	95	57.5 Å²	57.5	44%	0.444	30%	0.299	S	S	.	.	H	α-helix	trans	-63.7	-39	174.2	-176	54.9	31.9	0	0	111.8	E398 E399 V404 N405 D406	E398-Q402 WeakPolarHBondContact O-CB 3.13Å; E398-Q402 PolarHBondContact O-N 2.99Å; E399-Q402 PolarHBondContact O-N 3.45Å; Q402-V404 VanDerWaalsContact C-N 3.31Å; Q402-V404 PolarHBondContact O-N 3.48Å; Q402-N405 WeakPolarHBondContact O-CB 3.43Å; Q402-N405 PolarHBondContact O-N 3.09Å; Q402-D406 PolarHBondContact O-N 3.5Å
403	K	92.6	Very high	90.6	Very high	36 Å²	36	54.4 Å²	54.4	16%	0.157	28%	0.28	C	S	.	.	H	α-helix	trans	-65.6	-34.2	175.2	-168	67.1	-175.4	-176.2	0	112.7	M391 E399 R400 N401 I407 E446	M391-K403 HydrophobicContact CE-CB 4.06Å; M391-K403 HydrophobicContact CE-CG 3.93Å; M391-K403 HydrophobicContact SD-CB 4.39Å; M391-K403 HydrophobicContact SD-CG 4.27Å; E399-K403 VanDerWaalsContact O-CB 3.32Å; E399-K403 WeakPolarHBondContact O-CB 3.28Å; E399-K403 PolarHBondContact O-N 2.86Å; R400-K403 PolarHBondContact O-N 3.38Å; N401-K403 VanDerWaalsContact C-N 3.34Å; N401-K403 PolarHBondContact O-N 3.34Å; K403-I407 HydrophobicContact CG-CD1 4.3Å; K403-I407 WeakPolarHBondContact O-CD1 3.45Å; K403-I407 WeakPolarHBondContact O-CG1 3.46Å; K403-I407 PolarHBondContact O-N 3.28Å; K403-E446 VanDerWaalsContact CE-CD 3.41Å; K403-E446 WeakPolarHBondContact CE-OE2 3.38Å; K403-E446 IonicContact NZ-OE1 3.52Å; K403-E446 PolarHBondContact NZ-OE1 3Å; K403-E446 IonicContact NZ-OE2 2.7Å; K403-E446 PolarHBondContact NZ-OE2 3.13Å
404	V	95.4	Very high	91.8	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.006	29%	0.285	C	S	.	.	H	α-helix	trans	-65.5	-44.8	171	168	0	0	0	0	110.4	R380 L383 A387 R400 N401 Q402 I407 I408 I444	R380-V404 HydrophobicContact CG-CG1 4.08Å; L383-V404 HydrophobicContact CB-CG1 3.8Å; L383-V404 HydrophobicContact CB-CG2 4.18Å; L383-V404 HydrophobicContact CD1-CG1 4.41Å; A387-V404 HydrophobicContact CB-CG2 3.86Å; R400-V404 WeakPolarHBondContact O-CG2 3.39Å; R400-V404 PolarHBondContact O-N 3.06Å; N401-V404 WeakPolarHBondContact O-CB 3.43Å; N401-V404 PolarHBondContact O-N 2.75Å; Q402-V404 VanDerWaalsContact C-N 3.31Å; Q402-V404 PolarHBondContact O-N 3.48Å; V404-I407 PolarHBondContact O-N 3.09Å; V404-I408 HydrophobicContact CG1-CD1 3.69Å; V404-I408 HydrophobicContact CG1-CG1 4.35Å; V404-I408 VanDerWaalsContact O-CG1 3.26Å; V404-I408 WeakPolarHBondContact O-CG1 3.49Å; V404-I408 PolarHBondContact O-N 2.96Å; V404-I444 HydrophobicContact CG2-CD1 3.98Å
405	N	96.4	Very high	92.6	Very high	55 Å²	55	52.3 Å²	52.3	29%	0.294	29%	0.29	S	S	.	.	H	α-helix	trans	-58.7	-51.1	175	-64.5	-22	0	0	0	111.8	R380 N401 Q402 I407 I408 D409	R380-N405 PolarHBondContact NH1-OD1 3.17Å; N401-N405 PolarHBondContact O-N 3.16Å; Q402-N405 WeakPolarHBondContact O-CB 3.43Å; Q402-N405 PolarHBondContact O-N 3.09Å; N405-I407 PolarHBondContact O-N 2.88Å; N405-I407 VanDerWaalsContact O-N 3.09Å; N405-I408 PolarHBondContact O-N 2.81Å; N405-D409 PolarHBondContact O-N 2.81Å
406	D	93.8	Very high	93.2	Very high	14 Å²	14	48.4 Å²	48.4	8%	0.075	28%	0.276	C	S	.	.	H	α-helix	trans	-49.5	-38.6	176.1	-80.2	-35.5	0	0	0	112.5	R274 Q402 E410	R274-D406 IonicContact CZ-OD1 2.7Å; R274-D406 IonicContact NH2-OD1 2.77Å; R274-D406 PolarHBondContact NH2-OD1 2.94Å; Q402-D406 PolarHBondContact O-N 3.5Å; D406-E410 WeakPolarHBondContact O-CB 3.37Å; D406-E410 PolarHBondContact O-N 2.99Å
407	I	93.7	Very high	93.5	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.015	26%	0.26	C	S	.	.	H	α-helix	trans	-80.1	-36.6	-178.4	-73	168.7	0	0	0	111.9	L383 K403 V404 N405 D409 E410 L411 L443 I444	L383-I407 HydrophobicContact CD2-CG2 4.4Å; K403-I407 HydrophobicContact CG-CD1 4.3Å; K403-I407 WeakPolarHBondContact O-CD1 3.45Å; K403-I407 WeakPolarHBondContact O-CG1 3.46Å; K403-I407 PolarHBondContact O-N 3.28Å; V404-I407 PolarHBondContact O-N 3.09Å; N405-I407 PolarHBondContact O-N 2.88Å; N405-I407 VanDerWaalsContact O-N 3.09Å; I407-D409 VanDerWaalsContact C-N 3.33Å; I407-E410 PolarHBondContact O-N 3.27Å; I407-L411 HydrophobicContact CG2-CD1 3.64Å; I407-L411 HydrophobicContact CG2-CG 4.39Å; I407-L411 WeakPolarHBondContact O-CB 3.43Å; I407-L411 WeakPolarHBondContact O-CD1 3.35Å; I407-L411 WeakPolarHBondContact O-CG 3.45Å; I407-L411 PolarHBondContact O-N 2.83Å; I407-L443 HydrophobicContact CD1-CB 4.5Å; I407-I444 HydrophobicContact CD1-CD1 3.7Å; I407-I444 HydrophobicContact CD1-CG1 4.05Å
408	I	95.8	Very high	93.9	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-64	-41.8	173.6	-63.2	166.1	0	0	0	109.7	R380 L383 V404 N405 G412 L413 N414 A417	R380-I408 HydrophobicContact CB-CD1 4.17Å; R380-I408 HydrophobicContact CG-CD1 4.09Å; L383-I408 HydrophobicContact CD1-CD1 4.05Å; L383-I408 HydrophobicContact CD1-CG1 3.43Å; L383-I408 VanDerWaalsContact CD1-CG1 3.43Å; V404-I408 HydrophobicContact CG1-CD1 3.69Å; V404-I408 HydrophobicContact CG1-CG1 4.35Å; V404-I408 VanDerWaalsContact O-CG1 3.26Å; V404-I408 WeakPolarHBondContact O-CG1 3.49Å; V404-I408 PolarHBondContact O-N 2.96Å; N405-I408 PolarHBondContact O-N 2.81Å; I408-G412 PolarHBondContact O-N 2.86Å; I408-L413 HydrophobicContact CG2-CB 3.78Å; I408-L413 PolarHBondContact O-N 3.42Å; I408-N414 VanDerWaalsContact CG2-OD1 3.25Å; I408-N414 WeakPolarHBondContact CG2-OD1 3.47Å; I408-A417 HydrophobicContact CD1-CB 4.24Å; I408-A417 HydrophobicContact CG2-CB 3.84Å
409	D	93.9	Very high	94.2	Very high	90 Å²	90	43.2 Å²	43.2	48%	0.481	25%	0.252	S	S	.	.	H	α-helix	trans	-60.9	-51.6	171.8	-79.4	-48.3	0	0	0	111.8	N405 I407 L411 G412 N414	N405-D409 PolarHBondContact O-N 2.81Å; I407-D409 VanDerWaalsContact C-N 3.33Å; D409-L411 PolarHBondContact O-N 3.37Å; D409-G412 PolarHBondContact O-N 2.77Å; D409-N414 PolarHBondContact N-OD1 2.89Å; D409-N414 PolarHBondContact OD1-ND2 2.81Å; D409-N414 PolarHBondContact OD1-OD1 3.08Å
410	E	90.5	Very high	94.3	Very high	28 Å²	28	44 Å²	44	13%	0.131	25%	0.254	C	S	.	.	H	α-helix	trans	-62.4	-25.6	-177.8	176	162.7	-168.2	0	0	113.8	D406 I407 L474 R477	D406-E410 WeakPolarHBondContact O-CB 3.37Å; D406-E410 PolarHBondContact O-N 2.99Å; I407-E410 PolarHBondContact O-N 3.27Å; E410-L474 HydrophobicContact CG-CD2 3.85Å; E410-L474 WeakPolarHBondContact OE1-CD2 3.2Å; E410-R477 VanDerWaalsContact OE1-CD 3.3Å; E410-R477 WeakPolarHBondContact OE1-CD 3.47Å; E410-R477 IonicContact OE1-CZ 2.66Å; E410-R477 IonicContact OE1-NE 2.65Å; E410-R477 PolarHBondContact OE1-NE 3.11Å; E410-R477 IonicContact OE1-NH1 3.74Å; E410-R477 PolarHBondContact OE1-NH1 3.12Å; E410-R477 IonicContact OE1-NH2 3.73Å; E410-R477 PolarHBondContact OE1-NH2 2.95Å; E410-R477 IonicContact OE2-CZ 2.86Å; E410-R477 IonicContact OE2-NH1 3.92Å; E410-R477 PolarHBondContact OE2-NH1 3.11Å; E410-R477 IonicContact OE2-NH2 2.64Å; E410-R477 PolarHBondContact OE2-NH2 3.38Å
411	L	92.7	Very high	94.4	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.016	25%	0.253	C	S	.	.	H	α-helix	trans	-94.4	-10.5	175.5	-64.4	168.1	0	0	0	113.4	I407 D409 L413 R436 I439 G440 L443 T470	I407-L411 HydrophobicContact CG2-CD1 3.64Å; I407-L411 HydrophobicContact CG2-CG 4.39Å; I407-L411 WeakPolarHBondContact O-CB 3.43Å; I407-L411 WeakPolarHBondContact O-CD1 3.35Å; I407-L411 WeakPolarHBondContact O-CG 3.45Å; I407-L411 PolarHBondContact O-N 2.83Å; D409-L411 PolarHBondContact O-N 3.37Å; L411-L413 HydrophobicContact CB-CD1 3.79Å; L411-L413 HydrophobicContact CB-CG 3.89Å; L411-L413 HydrophobicContact CD1-CD1 3.89Å; L411-R436 WeakPolarHBondContact CD1-O 2.97Å; L411-R436 WeakPolarHBondContact O-CD 3.33Å; L411-R436 PolarHBondContact O-NH1 2.83Å; L411-I439 HydrophobicContact CD2-CG2 4.19Å; L411-G440 VanDerWaalsContact CD1-CA 3.43Å; L411-L443 HydrophobicContact CD2-CD1 3.9Å; L411-L443 HydrophobicContact CG-CD1 4.46Å; L411-T470 HydrophobicContact CD2-CG2 3.58Å
412	G	92.5	Very high	94.2	Very high	48 Å²	48	40.2 Å²	40.2	50%	0.495	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	43.9	-174.3	0	0	0	0	0	113	I408 D409 R436	I408-G412 PolarHBondContact O-N 2.86Å; D409-G412 PolarHBondContact O-N 2.77Å; G412-R436 PolarHBondContact O-NH1 2.96Å
413	L	94.7	Very high	93.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.231	C	C	.	.			trans	-103.2	3.9	-177.5	-71.4	173.3	0	0	0	113.8	V379 I408 L411 A415 V416 A417 E433 R436	V379-L413 HydrophobicContact CG1-CB 4.47Å; V379-L413 HydrophobicContact CG1-CD1 4.02Å; I408-L413 HydrophobicContact CG2-CB 3.78Å; I408-L413 PolarHBondContact O-N 3.42Å; L411-L413 HydrophobicContact CB-CD1 3.79Å; L411-L413 HydrophobicContact CB-CG 3.89Å; L411-L413 HydrophobicContact CD1-CD1 3.89Å; L413-A415 VanDerWaalsContact C-N 3.3Å; L413-A415 PolarHBondContact O-N 3.31Å; L413-A415 VanDerWaalsContact O-N 3.15Å; L413-V416 HydrophobicContact CB-CG2 4.38Å; L413-V416 HydrophobicContact CD2-CG2 3.89Å; L413-V416 CarbonylContact O-C 3.56Å; L413-V416 WeakPolarHBondContact O-CG2 3.28Å; L413-V416 PolarHBondContact O-N 2.87Å; L413-A417 PolarHBondContact O-N 2.99Å; L413-E433 HydrophobicContact CD2-CB 4.1Å; L413-E433 HydrophobicContact CD2-CG 4.11Å; L413-R436 HydrophobicContact CD1-CB 4.11Å; L413-R436 HydrophobicContact CD2-CB 4Å; L413-R436 HydrophobicContact CG-CB 4.3Å
414	N	95.1	Very high	93.2	Very high	92 Å²	92	45.2 Å²	45.2	49%	0.492	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-51.2	-42.3	-172.9	-67.5	-6.8	0	0	0	114.1	I408 D409 V416 A417	I408-N414 VanDerWaalsContact CG2-OD1 3.25Å; I408-N414 WeakPolarHBondContact CG2-OD1 3.47Å; D409-N414 PolarHBondContact N-OD1 2.89Å; D409-N414 PolarHBondContact OD1-ND2 2.81Å; D409-N414 PolarHBondContact OD1-OD1 3.08Å; N414-V416 PolarHBondContact O-N 2.69Å; N414-A417 PolarHBondContact O-N 3.28Å
415	A	94.8	Very high	92.4	Very high	99 Å²	99	52.9 Å²	52.9	82%	0.818	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-67.1	-19.2	-179.4	0	0	0	0	0	114.5	L413	L413-A415 VanDerWaalsContact C-N 3.3Å; L413-A415 PolarHBondContact O-N 3.31Å; L413-A415 VanDerWaalsContact O-N 3.15Å
416	V	95.5	Very high	91.8	Very high	19 Å²	19	54.4 Å²	54.4	12%	0.115	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-121.7	9.9	-178.2	-63.4	0	0	0	0	113	V379 L413 N414 D418 S419 V429 E433	V379-V416 WeakPolarHBondContact CG2-O 3.15Å; L413-V416 HydrophobicContact CB-CG2 4.38Å; L413-V416 HydrophobicContact CD2-CG2 3.89Å; L413-V416 CarbonylContact O-C 3.56Å; L413-V416 WeakPolarHBondContact O-CG2 3.28Å; L413-V416 PolarHBondContact O-N 2.87Å; N414-V416 PolarHBondContact O-N 2.69Å; V416-D418 VanDerWaalsContact C-N 3.28Å; V416-D418 PolarHBondContact O-N 3.07Å; V416-S419 WeakPolarHBondContact O-CB 3.4Å; V416-S419 PolarHBondContact O-N 3.34Å; V416-S419 VanDerWaalsContact O-N 3.1Å; V416-V429 HydrophobicContact CB-CG1 3.92Å; V416-V429 HydrophobicContact CG1-CG1 4.35Å; V416-V429 HydrophobicContact CG2-CG1 4.36Å; V416-E433 HydrophobicContact CG2-CB 4.32Å; V416-E433 HydrophobicContact CG2-CG 4.13Å
417	A	95.9	Very high	91.6	Very high	2 Å²	2	65.5 Å²	65.5	2%	0.017	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-41.7	-173.4	0	0	0	0	0	112.7	V379 R380 I408 L413 N414	V379-A417 WeakPolarHBondContact CB-O 3.07Å; V379-A417 PolarHBondContact N-O 2.99Å; R380-A417 VanDerWaalsContact CB-O 3.25Å; R380-A417 WeakPolarHBondContact CB-O 3.48Å; R380-A417 PolarHBondContact N-O 3.48Å; I408-A417 HydrophobicContact CD1-CB 4.24Å; I408-A417 HydrophobicContact CG2-CB 3.84Å; L413-A417 PolarHBondContact O-N 2.99Å; N414-A417 PolarHBondContact O-N 3.28Å
418	D	96	Very high	91.5	Very high	100 Å²	100	66.9 Å²	66.9	54%	0.535	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	9.8	-178.6	-60.9	-70.4	0	0	0	112.9	T378 R380 V416	T378-D418 VanDerWaalsContact CG2-O 3.23Å; T378-D418 WeakPolarHBondContact CG2-O 3.15Å; R380-D418 WeakPolarHBondContact CD-OD1 3.2Å; R380-D418 IonicContact CZ-OD1 3.83Å; R380-D418 IonicContact CZ-OD2 3.58Å; R380-D418 IonicContact NE-OD1 3.51Å; R380-D418 PolarHBondContact NE-OD1 3.11Å; R380-D418 IonicContact NE-OD2 3.16Å; R380-D418 PolarHBondContact NE-OD2 2.94Å; R380-D418 IonicContact NH2-OD1 2.75Å; R380-D418 IonicContact NH2-OD2 2.75Å; R380-D418 PolarHBondContact NH2-OD2 3.07Å; V416-D418 VanDerWaalsContact C-N 3.28Å; V416-D418 PolarHBondContact O-N 3.07Å
419	S	95.5	Very high	91.4	Very high	51 Å²	51	67.8 Å²	67.8	36%	0.357	38%	0.377	S	S	.	.	S	Bend	trans	-79.6	142.3	169.2	-53.4	0	0	0	0	111.1	T378 V379 V416	T378-S419 WeakPolarHBondContact CA-O 3.42Å; T378-S419 WeakPolarHBondContact CB-O 3.47Å; V379-S419 PolarHBondContact N-O 2.92Å; V416-S419 WeakPolarHBondContact O-CB 3.4Å; V416-S419 PolarHBondContact O-N 3.34Å; V416-S419 VanDerWaalsContact O-N 3.1Å
420	K	94.3	Very high	91.3	Very high	97 Å²	97	65.6 Å²	65.6	42%	0.422	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-60.9	137.8	170.2	-70.1	-177.7	-179.6	177.8	0	110.2	G422 G428 V429	K420-G422 VanDerWaalsContact C-N 3.25Å; K420-G422 PolarHBondContact O-N 3.39Å; K420-G428 WeakPolarHBondContact O-CA 3.43Å; K420-V429 PolarHBondContact O-N 3.38Å
421	V	94	Very high	91.2	Very high	4 Å²	4	66.3 Å²	66.3	2%	0.024	38%	0.383	C	S	.	.			trans	-64.2	-33.2	178.7	175	0	0	0	0	111.6	V373 L377 V379 V429 R434 T437	V373-V421 HydrophobicContact CB-CG1 4.31Å; V373-V421 HydrophobicContact CG1-CB 4.49Å; V373-V421 HydrophobicContact CG1-CG1 4.01Å; V373-V421 HydrophobicContact CG1-CG2 4.12Å; L377-V421 PolarHBondContact O-N 3.28Å; V379-V421 HydrophobicContact CG2-CG2 4.05Å; V421-V429 HydrophobicContact CG1-CG2 4.37Å; V421-V429 PolarHBondContact O-N 3.26Å; V421-R434 HydrophobicContact CG1-CG 4.03Å; V421-T437 HydrophobicContact CG2-CG2 4.4Å
422	G	90.4	Very high	91.1	Very high	6 Å²	6	66.2 Å²	66.2	6%	0.062	38%	0.383	C	S	.	.			trans	94.4	154.2	178.4	0	0	0	0	0	113.5	G375 K420 V426	G375-G422 WeakPolarHBondContact CA-O 3.29Å; G375-G422 PolarHBondContact O-N 3.44Å; K420-G422 VanDerWaalsContact C-N 3.25Å; K420-G422 PolarHBondContact O-N 3.39Å; G422-V426 CarbonylContact C-O 3.49Å; G422-V426 WeakPolarHBondContact CA-O 3.35Å
423	T	85.2	Confident	91.2	Very high	54 Å²	54	66 Å²	66	33%	0.331	37%	0.369	S	S	.	.			trans	-110.3	-179.3	174.5	67.5	0	0	0	0	109.9	T376 L425 V426	T376-T423 HydrophobicContact CG2-CG2 4.34Å; T423-L425 PolarHBondContact O-N 2.82Å; T423-L425 PolarHBondContact OG1-N 3.45Å; T423-V426 PolarHBondContact N-O 3.01Å; T423-V426 PolarHBondContact OG1-N 3.16Å
424	E	80.3	Confident	91.1	Very high	181 Å²	181	69.9 Å²	69.9	85%	0.846	38%	0.384	S	S	*	.	S	Bend	trans	-62.4	-26.3	173.2	-68.7	161.3	-167.8	0	0	112.7
425	L	78.9	Confident	91.1	Very high	163 Å²	163	65.8 Å²	65.8	85%	0.853	36%	0.361	S	S	*	.	S	Bend	trans	-99	-30.7	179.8	-58.3	177.9	0	0	0	112.9	T423	T423-L425 PolarHBondContact O-N 2.82Å; T423-L425 PolarHBondContact OG1-N 3.45Å
426	V	83.8	Confident	91	Very high	87 Å²	87	62.5 Å²	62.5	53%	0.527	33%	0.328	S	S	.	.	S	Bend	trans	-113.9	105.9	-175.8	-177.4	0	0	0	0	109.7	G422 T423 G428	G422-V426 CarbonylContact C-O 3.49Å; G422-V426 WeakPolarHBondContact CA-O 3.35Å; T423-V426 PolarHBondContact N-O 3.01Å; T423-V426 PolarHBondContact OG1-N 3.16Å; V426-G428 PolarHBondContact O-N 2.91Å
427	R	89.2	Confident	91	Very high	246 Å²	246	61.6 Å²	61.6	93%	0.928	32%	0.323	S	S	*	.			trans	-53.8	133.5	177.2	-178.3	178.1	176.9	178.4	-1	111.5
428	G	91.6	Very high	90.9	Very high	32 Å²	32	61.7 Å²	61.7	33%	0.33	32%	0.323	S	S	.	.			trans	-131.2	-135.7	172.8	0	0	0	0	0	111.6	K420 V426	K420-G428 WeakPolarHBondContact O-CA 3.43Å; V426-G428 PolarHBondContact O-N 2.91Å
429	V	93.5	Very high	90.9	Very high	22 Å²	22	56.9 Å²	56.9	13%	0.133	30%	0.297	C	S	.	.	S	Bend	trans	-64.8	161.2	179.7	-53.5	0	0	0	0	112.6	V379 V416 K420 V421 E433 R434	V379-V429 HydrophobicContact CG2-CG1 4.07Å; V416-V429 HydrophobicContact CB-CG1 3.92Å; V416-V429 HydrophobicContact CG1-CG1 4.35Å; V416-V429 HydrophobicContact CG2-CG1 4.36Å; K420-V429 PolarHBondContact O-N 3.38Å; V421-V429 HydrophobicContact CG1-CG2 4.37Å; V421-V429 PolarHBondContact O-N 3.26Å; V429-E433 HydrophobicContact CB-CB 3.84Å; V429-E433 HydrophobicContact CG2-CB 3.92Å; V429-R434 HydrophobicContact CG2-CB 4.07Å
430	S	92	Very high	90.8	Very high	44 Å²	44	54.5 Å²	54.5	31%	0.308	28%	0.28	S	S	.	.			trans	-67.1	159.5	177.2	70	0	0	0	0	112.4	G432 E433 R434	S430-G432 VanDerWaalsContact C-N 3.25Å; S430-G432 PolarHBondContact O-N 3.2Å; S430-E433 VanDerWaalsContact CB-OE2 3.24Å; S430-E433 WeakPolarHBondContact CB-OE2 3.35Å; S430-E433 PolarHBondContact N-OE2 3.47Å; S430-E433 WeakPolarHBondContact O-CA 3.05Å; S430-E433 WeakPolarHBondContact O-CB 3.45Å; S430-E433 PolarHBondContact O-N 3.38Å; S430-E433 WeakPolarHBondContact OG-CG 3.43Å; S430-E433 PolarHBondContact OG-N 3.07Å; S430-E433 PolarHBondContact OG-OE2 2.85Å; S430-R434 PolarHBondContact O-N 2.87Å
431	G	89.6	Confident	90.8	Very high	42 Å²	42	50.2 Å²	50.2	43%	0.433	26%	0.262	S	S	.	.	H	α-helix	trans	-55.2	-38.8	177.2	0	0	0	0	0	113.3	E433 R434 K435 L459	G431-E433 VanDerWaalsContact C-N 3.29Å; G431-E433 PolarHBondContact O-N 3.02Å; G431-R434 PolarHBondContact O-N 2.87Å; G431-K435 WeakPolarHBondContact O-CB 3.22Å; G431-K435 PolarHBondContact O-N 2.74Å; G431-L459 VanDerWaalsContact C-CD2 3.43Å
432	G	90.4	Very high	90.7	Very high	2 Å²	2	50.1 Å²	50.1	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-70.6	-20.4	176.4	0	0	0	0	0	114.3	S430 R436	S430-G432 VanDerWaalsContact C-N 3.25Å; S430-G432 PolarHBondContact O-N 3.2Å; G432-R436 VanDerWaalsContact O-CG 3.29Å; G432-R436 WeakPolarHBondContact O-CG 3.34Å; G432-R436 PolarHBondContact O-N 3.48Å; G432-R436 PolarHBondContact O-NE 3.11Å
433	E	93.5	Very high	90.8	Very high	42 Å²	42	50 Å²	50	20%	0.196	26%	0.259	C	S	.	.	H	α-helix	trans	-87.1	-39.1	172.5	-72.9	157.6	154	0	0	111.5	L413 V416 V429 S430 G431 K435 R436 T437	L413-E433 HydrophobicContact CD2-CB 4.1Å; L413-E433 HydrophobicContact CD2-CG 4.11Å; V416-E433 HydrophobicContact CG2-CB 4.32Å; V416-E433 HydrophobicContact CG2-CG 4.13Å; V429-E433 HydrophobicContact CB-CB 3.84Å; V429-E433 HydrophobicContact CG2-CB 3.92Å; S430-E433 VanDerWaalsContact CB-OE2 3.24Å; S430-E433 WeakPolarHBondContact CB-OE2 3.35Å; S430-E433 PolarHBondContact N-OE2 3.47Å; S430-E433 WeakPolarHBondContact O-CA 3.05Å; S430-E433 WeakPolarHBondContact O-CB 3.45Å; S430-E433 PolarHBondContact O-N 3.38Å; S430-E433 WeakPolarHBondContact OG-CG 3.43Å; S430-E433 PolarHBondContact OG-N 3.07Å; S430-E433 PolarHBondContact OG-OE2 2.85Å; G431-E433 VanDerWaalsContact C-N 3.29Å; G431-E433 PolarHBondContact O-N 3.02Å; E433-K435 VanDerWaalsContact C-N 3.34Å; E433-K435 PolarHBondContact O-N 3.42Å; E433-R436 PolarHBondContact O-N 2.75Å; E433-T437 WeakPolarHBondContact O-CB 3.41Å; E433-T437 PolarHBondContact O-N 2.84Å; E433-T437 PolarHBondContact O-OG1 3.43Å
434	R	94	Very high	91.1	Very high	82 Å²	82	47.5 Å²	47.5	31%	0.309	24%	0.244	S	C	.	.	H	α-helix	trans	-59.7	-43.5	170.9	-175.3	174.7	171.1	176	-7.3	111	D371 V421 V429 S430 G431 T437 S438	D371-R434 HydrophobicContact CB-CG 3.8Å; D371-R434 PolarHBondContact O-NE 2.99Å; D371-R434 PolarHBondContact O-NH2 3.25Å; V421-R434 HydrophobicContact CG1-CG 4.03Å; V429-R434 HydrophobicContact CG2-CB 4.07Å; S430-R434 PolarHBondContact O-N 2.87Å; G431-R434 PolarHBondContact O-N 2.87Å; R434-T437 WeakPolarHBondContact O-CB 3.22Å; R434-T437 PolarHBondContact O-N 2.9Å; R434-S438 PolarHBondContact O-N 3.32Å
435	K	93.8	Very high	91.3	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.026	21%	0.214	C	C	.	.	H	α-helix	trans	-64.1	-43.7	176.4	-160.5	57.7	166.9	-177	0	112.3	V368 Q369 D371 G431 E433 T437 S438 I439 L459 V467	V368-K435 PolarHBondContact O-NZ 3.44Å; Q369-K435 PolarHBondContact O-NZ 2.88Å; D371-K435 VanDerWaalsContact CG-CD 3.49Å; D371-K435 WeakPolarHBondContact OD1-CD 3.44Å; D371-K435 WeakPolarHBondContact OD1-CE 3.41Å; D371-K435 IonicContact OD1-NZ 2.75Å; D371-K435 PolarHBondContact OD1-NZ 3.15Å; D371-K435 WeakPolarHBondContact OD2-CA 3.46Å; D371-K435 VanDerWaalsContact OD2-CD 3.3Å; D371-K435 WeakPolarHBondContact OD2-CD 3.28Å; D371-K435 PolarHBondContact OD2-N 3.06Å; G431-K435 WeakPolarHBondContact O-CB 3.22Å; G431-K435 PolarHBondContact O-N 2.74Å; E433-K435 VanDerWaalsContact C-N 3.34Å; E433-K435 PolarHBondContact O-N 3.42Å; K435-T437 VanDerWaalsContact C-N 3.33Å; K435-T437 PolarHBondContact O-N 2.63Å; K435-S438 PolarHBondContact O-N 2.8Å; K435-I439 HydrophobicContact CG-CD1 4.48Å; K435-I439 VanDerWaalsContact O-CG1 3.28Å; K435-I439 WeakPolarHBondContact O-CG1 3.14Å; K435-I439 PolarHBondContact O-N 2.87Å; K435-L459 HydrophobicContact CB-CD1 4.43Å; K435-L459 HydrophobicContact CG-CD1 4.49Å; K435-V467 HydrophobicContact CB-CG2 4.45Å; K435-V467 HydrophobicContact CG-CG1 4.44Å
436	R	94	Very high	91.7	Very high	31 Å²	31	36.4 Å²	36.4	12%	0.117	19%	0.19	C	C	.	.	H	α-helix	trans	-63.4	-36.6	173.2	-75.8	-176.7	-68	150.1	-4.7	112.3	L411 G412 L413 G432 E433 I439 G440 V467	L411-R436 WeakPolarHBondContact CD1-O 2.97Å; L411-R436 WeakPolarHBondContact O-CD 3.33Å; L411-R436 PolarHBondContact O-NH1 2.83Å; G412-R436 PolarHBondContact O-NH1 2.96Å; L413-R436 HydrophobicContact CD1-CB 4.11Å; L413-R436 HydrophobicContact CD2-CB 4Å; L413-R436 HydrophobicContact CG-CB 4.3Å; G432-R436 VanDerWaalsContact O-CG 3.29Å; G432-R436 WeakPolarHBondContact O-CG 3.34Å; G432-R436 PolarHBondContact O-N 3.48Å; G432-R436 PolarHBondContact O-NE 3.11Å; E433-R436 PolarHBondContact O-N 2.75Å; R436-I439 PolarHBondContact O-N 2.65Å; R436-G440 PolarHBondContact O-N 2.68Å; R436-V467 HydrophobicContact CG-CG2 4.26Å
437	T	95.3	Very high	91.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.9	-44.5	174.4	-56.5	0	0	0	0	111.2	V373 V379 V421 E433 R434 K435 G440 M441	V373-T437 HydrophobicContact CG1-CG2 4.24Å; V379-T437 HydrophobicContact CB-CG2 4.42Å; V379-T437 HydrophobicContact CG1-CG2 4.01Å; V379-T437 HydrophobicContact CG2-CG2 4.37Å; V421-T437 HydrophobicContact CG2-CG2 4.4Å; E433-T437 WeakPolarHBondContact O-CB 3.41Å; E433-T437 PolarHBondContact O-N 2.84Å; E433-T437 PolarHBondContact O-OG1 3.43Å; R434-T437 WeakPolarHBondContact O-CB 3.22Å; R434-T437 PolarHBondContact O-N 2.9Å; K435-T437 VanDerWaalsContact C-N 3.33Å; K435-T437 PolarHBondContact O-N 2.63Å; T437-G440 WeakPolarHBondContact O-CA 3.25Å; T437-G440 PolarHBondContact O-N 2.58Å; T437-G440 VanDerWaalsContact O-N 3.13Å; T437-M441 WeakPolarHBondContact O-CG 3.21Å; T437-M441 PolarHBondContact O-N 2.85Å
438	S	94.6	Very high	91.8	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.021	13%	0.132	C	C	.	.	H	α-helix	trans	-59.7	-47	174.5	-172.2	0	0	0	0	112.1	R434 K435 G440 M441	R434-S438 PolarHBondContact O-N 3.32Å; K435-S438 PolarHBondContact O-N 2.8Å; S438-G440 VanDerWaalsContact C-N 3.28Å; S438-G440 PolarHBondContact O-N 3.05Å; S438-M441 PolarHBondContact O-N 3.32Å
439	I	94.5	Very high	91.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-56.3	-43.8	172.1	-66.2	163.3	0	0	0	110.9	V367 L411 K435 R436 M441 E442 L443 L450 L452 V467 L471 L474	V367-I439 HydrophobicContact CG1-CG1 4.33Å; V367-I439 HydrophobicContact CG2-CB 4.47Å; V367-I439 HydrophobicContact CG2-CG1 4.01Å; L411-I439 HydrophobicContact CD2-CG2 4.19Å; K435-I439 HydrophobicContact CG-CD1 4.48Å; K435-I439 VanDerWaalsContact O-CG1 3.28Å; K435-I439 WeakPolarHBondContact O-CG1 3.14Å; K435-I439 PolarHBondContact O-N 2.87Å; R436-I439 PolarHBondContact O-N 2.65Å; I439-M441 PolarHBondContact O-N 2.91Å; I439-E442 PolarHBondContact O-N 2.92Å; I439-L443 HydrophobicContact CG2-CD1 3.84Å; I439-L443 HydrophobicContact CG2-CG 4.23Å; I439-L443 WeakPolarHBondContact O-CG 3.27Å; I439-L443 PolarHBondContact O-N 2.95Å; I439-L450 HydrophobicContact CG2-CD2 4.43Å; I439-L452 HydrophobicContact CD1-CD2 3.9Å; I439-L452 HydrophobicContact CG1-CD2 3.72Å; I439-V467 HydrophobicContact CD1-CG1 3.9Å; I439-L471 HydrophobicContact CD1-CD2 4.23Å; I439-L474 HydrophobicContact CG2-CD1 4.15Å
440	G	94.5	Very high	91.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.5	-42.5	178.2	0	0	0	0	0	113.9	L411 R436 T437 S438 E442 L443 I444	L411-G440 VanDerWaalsContact CD1-CA 3.43Å; R436-G440 PolarHBondContact O-N 2.68Å; T437-G440 WeakPolarHBondContact O-CA 3.25Å; T437-G440 PolarHBondContact O-N 2.58Å; T437-G440 VanDerWaalsContact O-N 3.13Å; S438-G440 VanDerWaalsContact C-N 3.28Å; S438-G440 PolarHBondContact O-N 3.05Å; G440-E442 PolarHBondContact O-N 2.92Å; G440-L443 PolarHBondContact O-N 3.5Å; G440-L443 VanDerWaalsContact O-N 3.09Å; G440-I444 WeakPolarHBondContact O-CG1 3.28Å; G440-I444 PolarHBondContact O-N 3.49Å
441	M	93.8	Very high	92	Very high	7 Å²	7	17.6 Å²	17.6	3%	0.034	10%	0.095	C	C	.	.	H	α-helix	trans	-60	-29.8	178.8	-65.5	-164.6	-52.4	0	0	112.8	V373 N382 L383 S386 R390 T437 S438 I439	V373-M441 HydrophobicContact CB-CE 4.45Å; V373-M441 HydrophobicContact CG1-CE 4.32Å; V373-M441 HydrophobicContact CG1-SD 4.32Å; V373-M441 HydrophobicContact CG2-CE 3.94Å; N382-M441 HydrophobicContact CB-SD 3.91Å; L383-M441 HydrophobicContact CD2-CG 4.13Å; S386-M441 PolarHBondContact OG-O 2.86Å; R390-M441 PolarHBondContact NH1-O 2.97Å; T437-M441 WeakPolarHBondContact O-CG 3.21Å; T437-M441 PolarHBondContact O-N 2.85Å; S438-M441 PolarHBondContact O-N 3.32Å; I439-M441 PolarHBondContact O-N 2.91Å
442	E	92.4	Very high	92.3	Very high	3 Å²	3	15.6 Å²	15.6	1%	0.014	8%	0.075	C	C	.	.	H	α-helix	trans	-84	-30.8	174.7	-65.5	-58.9	122.2	0	0	113.4	G365 Y366 V367 R390 I439 G440 I444 T445 P447 L450	G365-E442 WeakPolarHBondContact CA-OE2 3.4Å; Y366-E442 PolarHBondContact N-OE2 3.39Å; V367-E442 HydrophobicContact CG2-CB 4.41Å; V367-E442 HydrophobicContact CG2-CG 4.06Å; R390-E442 IonicContact CZ-OE1 3.77Å; R390-E442 IonicContact CZ-OE2 2.63Å; R390-E442 IonicContact NH1-OE1 2.67Å; R390-E442 PolarHBondContact NH1-OE1 2.76Å; R390-E442 IonicContact NH1-OE2 2.85Å; R390-E442 PolarHBondContact NH1-OE2 3.34Å; R390-E442 IonicContact NH2-OE1 2.95Å; R390-E442 IonicContact NH2-OE2 2.68Å; R390-E442 PolarHBondContact NH2-OE2 3.19Å; I439-E442 PolarHBondContact O-N 2.92Å; G440-E442 PolarHBondContact O-N 2.92Å; E442-I444 PolarHBondContact O-N 3.01Å; E442-T445 PolarHBondContact O-OG1 3.06Å; E442-P447 WeakPolarHBondContact O-CD 3.27Å; E442-P447 WeakPolarHBondContact O-CG 3.42Å; E442-L450 HydrophobicContact CB-CD1 4.12Å
443	L	92.2	Very high	92.5	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.01	8%	0.075	C	C	.	.	H	α-helix	trans	-68.1	-20.5	177.9	-74.7	171.9	0	0	0	114	I407 L411 I439 G440 T445 E446 L450 L474	I407-L443 HydrophobicContact CD1-CB 4.5Å; L411-L443 HydrophobicContact CD2-CD1 3.9Å; L411-L443 HydrophobicContact CG-CD1 4.46Å; I439-L443 HydrophobicContact CG2-CD1 3.84Å; I439-L443 HydrophobicContact CG2-CG 4.23Å; I439-L443 WeakPolarHBondContact O-CG 3.27Å; I439-L443 PolarHBondContact O-N 2.95Å; G440-L443 PolarHBondContact O-N 3.5Å; G440-L443 VanDerWaalsContact O-N 3.09Å; L443-T445 PolarHBondContact O-N 3.03Å; L443-E446 WeakPolarHBondContact O-CA 3.45Å; L443-E446 PolarHBondContact O-N 2.67Å; L443-L450 HydrophobicContact CD2-CD2 4.19Å; L443-L474 HydrophobicContact CD1-CD1 3.78Å; L443-L474 HydrophobicContact CD1-CD2 3.6Å; L443-L474 HydrophobicContact CD1-CG 4.37Å; L443-L474 HydrophobicContact CD2-CD1 4.36Å; L443-L474 HydrophobicContact CD2-CD2 4.04Å
444	I	91	Very high	92.5	Very high	3 Å²	3	14.9 Å²	14.9	2%	0.015	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-34.4	179.3	-71.2	-82.4	0	0	0	113.3	L383 A387 M391 V404 I407 G440 E442 E446	L383-I444 HydrophobicContact CB-CD1 4.44Å; L383-I444 HydrophobicContact CD2-CG1 4.44Å; A387-I444 HydrophobicContact CB-CD1 4.15Å; A387-I444 HydrophobicContact CB-CG2 4.15Å; M391-I444 HydrophobicContact CG-CG2 3.89Å; M391-I444 HydrophobicContact SD-CG2 4.24Å; V404-I444 HydrophobicContact CG2-CD1 3.98Å; I407-I444 HydrophobicContact CD1-CD1 3.7Å; I407-I444 HydrophobicContact CD1-CG1 4.05Å; G440-I444 WeakPolarHBondContact O-CG1 3.28Å; G440-I444 PolarHBondContact O-N 3.49Å; E442-I444 PolarHBondContact O-N 3.01Å; I444-E446 PolarHBondContact O-N 2.9Å
445	T	85.2	Confident	92.5	Very high	35 Å²	35	11 Å²	11	22%	0.215	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	8.4	177.4	52.5	0	0	0	0	114	R390 E442 L443 P447	R390-T445 HydrophobicContact CB-CG2 3.43Å; R390-T445 VanDerWaalsContact CB-CG2 3.43Å; R390-T445 HydrophobicContact CG-CG2 4.31Å; E442-T445 PolarHBondContact O-OG1 3.06Å; L443-T445 PolarHBondContact O-N 3.03Å; T445-P447 VanDerWaalsContact C-CD 3.5Å; T445-P447 VanDerWaalsContact C-N 3.33Å
446	E	86.2	Confident	92.5	Very high	75 Å²	75	11.6 Å²	11.6	35%	0.35	6%	0.06	S	C	.	.			trans	45.9	47.3	-172.2	-51.3	-140.1	83	0	0	114.5	K403 L443 I444 R479	K403-E446 VanDerWaalsContact CE-CD 3.41Å; K403-E446 WeakPolarHBondContact CE-OE2 3.38Å; K403-E446 IonicContact NZ-OE1 3.52Å; K403-E446 PolarHBondContact NZ-OE1 3Å; K403-E446 IonicContact NZ-OE2 2.7Å; K403-E446 PolarHBondContact NZ-OE2 3.13Å; L443-E446 WeakPolarHBondContact O-CA 3.45Å; L443-E446 PolarHBondContact O-N 2.67Å; I444-E446 PolarHBondContact O-N 2.9Å; E446-R479 IonicContact OE1-NH2 3.91Å
447	P	88.8	Confident	92.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.076	C	C	.	.			trans	-60.9	134.2	-171.1	27.8	-36.4	0	0	0	112.1	I363 E442 T445 V449 R479	I363-P447 WeakPolarHBondContact O-CA 3.3Å; I363-P447 VanDerWaalsContact O-CB 3.25Å; I363-P447 WeakPolarHBondContact O-CB 3.44Å; E442-P447 WeakPolarHBondContact O-CD 3.27Å; E442-P447 WeakPolarHBondContact O-CG 3.42Å; T445-P447 VanDerWaalsContact C-CD 3.5Å; T445-P447 VanDerWaalsContact C-N 3.33Å; P447-V449 VanDerWaalsContact C-N 3.27Å; P447-V449 PolarHBondContact O-N 3.07Å; P447-R479 PolarHBondContact O-NH1 2.93Å
448	P	86.5	Confident	91.8	Very high	37 Å²	37	16.7 Å²	16.7	24%	0.24	11%	0.109	C	C	.	.	S	Bend	trans	-72.8	-24.1	177.4	29.6	-34.7	0	0	0	112.1	A280 T480	A280-P448 HydrophobicContact CB-CB 4.32Å; P448-T480 WeakPolarHBondContact O-CB 3.44Å; P448-T480 PolarHBondContact O-N 3.05Å
449	V	92.2	Very high	91.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	125	173.2	-171.2	0	0	0	0	109.3	A280 L282 S364 G365 P447 F451 T480 I482	A280-V449 HydrophobicContact CB-CG2 3.89Å; L282-V449 HydrophobicContact CD1-CG1 4.32Å; S364-V449 WeakPolarHBondContact CA-O 3.38Å; G365-V449 PolarHBondContact N-O 3.04Å; G365-V449 VanDerWaalsContact N-O 3.11Å; P447-V449 VanDerWaalsContact C-N 3.27Å; P447-V449 PolarHBondContact O-N 3.07Å; V449-F451 HydrophobicContact CB-CE2 4.4Å; V449-F451 HydrophobicContact CG1-CD2 4.27Å; V449-F451 HydrophobicContact CG1-CE1 4.09Å; V449-F451 HydrophobicContact CG1-CE2 3.71Å; V449-F451 HydrophobicContact CG1-CZ 3.61Å; V449-T480 CarbonylContact C-O 3.59Å; V449-T480 VanDerWaalsContact CA-O 3.32Å; V449-T480 WeakPolarHBondContact CA-O 3.34Å; V449-T480 HydrophobicContact CG1-CG2 4.36Å; V449-I482 HydrophobicContact CG1-CD1 3.71Å
450	L	94.4	Very high	91.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	117.7	176.2	179.7	66.7	0	0	0	109.6	V367 I439 E442 L443 L452 T480 I481 I482	V367-L450 HydrophobicContact CG2-CD1 4.31Å; I439-L450 HydrophobicContact CG2-CD2 4.43Å; E442-L450 HydrophobicContact CB-CD1 4.12Å; L443-L450 HydrophobicContact CD2-CD2 4.19Å; L450-L452 HydrophobicContact CD2-CD1 4.1Å; L450-L452 HydrophobicContact CG-CD1 3.93Å; L450-L452 HydrophobicContact CG-CG 4.42Å; L450-T480 PolarHBondContact N-O 3.14Å; L450-I481 HydrophobicContact CB-CG1 4.45Å; L450-I481 HydrophobicContact CD2-CD1 4.44Å; L450-I481 WeakPolarHBondContact O-CA 3.49Å; L450-I482 PolarHBondContact O-N 3.49Å
451	F	95.3	Very high	91.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	140.2	174.3	-58.2	-83.6	0	0	0	110.3	L282 L333 L336 A337 F360 G365 Y366 V367 V449 I482	L282-F451 HydrophobicContact CD1-CE1 4.23Å; L282-F451 HydrophobicContact CD1-CZ 3.85Å; L333-F451 HydrophobicContact CD1-CB 4.22Å; L333-F451 HydrophobicContact CD1-CD1 3.84Å; L333-F451 HydrophobicContact CG-CB 4.34Å; L333-F451 HydrophobicContact CG-CD1 4.37Å; L336-F451 HydrophobicContact CB-CE1 3.72Å; L336-F451 HydrophobicContact CB-CZ 4.22Å; L336-F451 WeakPolarHBondContact O-CZ 3.39Å; A337-F451 HydrophobicContact CB-CD1 4.41Å; A337-F451 HydrophobicContact CB-CD2 3.82Å; A337-F451 HydrophobicContact CB-CE2 3.92Å; A337-F451 HydrophobicContact CB-CG 4.07Å; A337-F451 HydrophobicContact CB-CZ 4.26Å; F360-F451 AromaticContact CE1-CE2 3.78Å; F360-F451 HydrophobicContact CE1-CE2 3.78Å; F360-F451 HydrophobicContact CE1-CZ 4.07Å; F360-F451 AromaticContact CZ-CE2 3.8Å; F360-F451 HydrophobicContact CZ-CE2 3.8Å; F360-F451 HydrophobicContact CZ-CZ 4.07Å; G365-F451 PolarHBondContact O-N 3.22Å; Y366-F451 WeakPolarHBondContact CA-O 3.45Å; Y366-F451 HydrophobicContact CD2-CB 3.54Å; Y366-F451 HydrophobicContact CD2-CD2 4.43Å; Y366-F451 HydrophobicContact CD2-CG 4.2Å; Y366-F451 HydrophobicContact CE2-CB 4.13Å; Y366-F451 HydrophobicContact CG-CB 4.22Å; V367-F451 PolarHBondContact N-O 3.22Å; V449-F451 HydrophobicContact CB-CE2 4.4Å; V449-F451 HydrophobicContact CG1-CD2 4.27Å; V449-F451 HydrophobicContact CG1-CE1 4.09Å; V449-F451 HydrophobicContact CG1-CE2 3.71Å; V449-F451 HydrophobicContact CG1-CZ 3.61Å; F451-I482 CarbonylContact C-O 3.55Å; F451-I482 VanDerWaalsContact CA-O 3.27Å; F451-I482 WeakPolarHBondContact CA-O 3.14Å; F451-I482 HydrophobicContact CD1-CB 4.04Å; F451-I482 HydrophobicContact CD1-CD1 4.02Å; F451-I482 HydrophobicContact CD1-CG2 4.34Å; F451-I482 HydrophobicContact CE1-CB 4.43Å; F451-I482 HydrophobicContact CE1-CD1 3.56Å; F451-I482 HydrophobicContact CZ-CD1 4.28Å
452	L	95.8	Very high	91.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	122.7	172	-51.2	93.8	0	0	0	111.8	L333 V367 I439 L450 P455 L471 I481 I482 F483 S484	L333-L452 VanDerWaalsContact CD2-C 3.48Å; L333-L452 WeakPolarHBondContact CD2-O 3.36Å; V367-L452 HydrophobicContact CB-CB 4.15Å; V367-L452 HydrophobicContact CB-CD2 4.01Å; V367-L452 HydrophobicContact CB-CG 3.93Å; V367-L452 HydrophobicContact CG1-CD2 4.33Å; V367-L452 HydrophobicContact CG2-CD2 4Å; V367-L452 HydrophobicContact CG2-CG 4.08Å; V367-L452 WeakPolarHBondContact O-CA 3.49Å; I439-L452 HydrophobicContact CD1-CD2 3.9Å; I439-L452 HydrophobicContact CG1-CD2 3.72Å; L450-L452 HydrophobicContact CD2-CD1 4.1Å; L450-L452 HydrophobicContact CG-CD1 3.93Å; L450-L452 HydrophobicContact CG-CG 4.42Å; L452-P455 HydrophobicContact CB-CB 3.99Å; L452-P455 HydrophobicContact CB-CG 3.87Å; L452-P455 HydrophobicContact CD2-CB 3.84Å; L452-P455 HydrophobicContact CD2-CG 4.27Å; L452-L471 HydrophobicContact CD1-CD1 4.43Å; L452-L471 HydrophobicContact CD1-CD2 4.03Å; L452-L471 HydrophobicContact CD2-CD1 4.17Å; L452-L471 HydrophobicContact CD2-CD2 3.75Å; L452-I481 HydrophobicContact CD1-CG2 3.52Å; L452-I482 PolarHBondContact N-O 3.21Å; L452-F483 HydrophobicContact CB-CB 3.97Å; L452-F483 HydrophobicContact CD1-CB 4.18Å; L452-F483 WeakPolarHBondContact O-CA 3.49Å; L452-F483 WeakPolarHBondContact O-CB 3.45Å; L452-S484 PolarHBondContact O-N 3.46Å; L452-S484 VanDerWaalsContact O-N 3.15Å
453	D	94.7	Very high	91.1	Very high	4 Å²	4	34 Å²	34	2%	0.021	20%	0.197	C	C	.	.	S	Bend	trans	-84.9	115.6	173.4	-142.8	-3.4	0	0	0	109.1	S330 L333 Y366 V367 Q369 S484 K904	S330-D453 VanDerWaalsContact CB-OD1 3.22Å; S330-D453 WeakPolarHBondContact CB-OD1 3.35Å; S330-D453 WeakPolarHBondContact CB-OD2 3.36Å; S330-D453 PolarHBondContact OG-OD1 2.88Å; L333-D453 HydrophobicContact CD2-CB 3.82Å; Y366-D453 PolarHBondContact OH-OD2 2.77Å; V367-D453 PolarHBondContact O-N 3.06Å; Q369-D453 WeakPolarHBondContact CA-O 3.24Å; Q369-D453 HydrophobicContact CB-CB 4.38Å; D453-S484 WeakPolarHBondContact CA-OG 3.46Å; D453-S484 PolarHBondContact OD1-OG 3.23Å; D453-K904 IonicContact OD2-NZ 2.68Å; D453-K904 PolarHBondContact OD2-NZ 3.36Å
454	E	93.1	Very high	91.2	Very high	24 Å²	24	34.2 Å²	34.2	11%	0.112	20%	0.198	C	C	.	.			trans	37.6	61.5	-180	-58.9	-164.1	165.5	0	0	116.1	Q369 T456 T457 S484	Q369-E454 HydrophobicContact CG-CB 4.32Å; Q369-E454 PolarHBondContact NE2-OE2 3.22Å; E454-T456 PolarHBondContact O-N 2.88Å; E454-T457 WeakPolarHBondContact CB-OG1 3.22Å; E454-T457 PolarHBondContact O-N 3.49Å; E454-T457 VanDerWaalsContact O-N 3.08Å; E454-T457 PolarHBondContact OE2-OG1 3.04Å; E454-S484 WeakPolarHBondContact CA-O 3.39Å; E454-S484 PolarHBondContact N-OG 2.93Å
455	P	94.3	Very high	91.3	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	3.2	-171.8	30.2	-36.7	0	0	0	115.5	L452 L471 F483 S484	L452-P455 HydrophobicContact CB-CB 3.99Å; L452-P455 HydrophobicContact CB-CG 3.87Å; L452-P455 HydrophobicContact CD2-CB 3.84Å; L452-P455 HydrophobicContact CD2-CG 4.27Å; P455-L471 HydrophobicContact CG-CD1 4.27Å; P455-F483 HydrophobicContact CG-CB 4.07Å; P455-F483 HydrophobicContact CG-CD2 4.37Å; P455-F483 HydrophobicContact CG-CG 4.46Å; P455-S484 VanDerWaalsContact CD-O 3.31Å; P455-S484 WeakPolarHBondContact CD-O 3.17Å
456	T	92.9	Very high	91.6	Very high	18 Å²	18	35.4 Å²	35.4	11%	0.11	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-7.2	177.4	55.4	0	0	0	0	113.6	E454 L459 A464 V468 I485	E454-T456 PolarHBondContact O-N 2.88Å; T456-L459 PolarHBondContact O-N 3.17Å; T456-A464 HydrophobicContact CG2-CB 3.82Å; T456-V468 HydrophobicContact CG2-CG2 3.75Å; T456-I485 HydrophobicContact CG2-CD1 3.93Å; T456-I485 WeakPolarHBondContact OG1-CD1 3.47Å
457	T	89.9	Confident	92	Very high	72 Å²	72	31.9 Å²	31.9	44%	0.442	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	138.9	178.8	-69.7	0	0	0	0	110	E454 L459	E454-T457 WeakPolarHBondContact CB-OG1 3.22Å; E454-T457 PolarHBondContact O-N 3.49Å; E454-T457 VanDerWaalsContact O-N 3.08Å; E454-T457 PolarHBondContact OE2-OG1 3.04Å; T457-L459 VanDerWaalsContact C-N 3.26Å; T457-L459 PolarHBondContact O-N 3.28Å
458	G	86.5	Confident	92.3	Very high	67 Å²	67	31.9 Å²	31.9	69%	0.691	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	76	-0.3	-176	0	0	0	0	0	116
459	L	91	Very high	92.6	Very high	38 Å²	38	35.6 Å²	35.6	20%	0.199	20%	0.2	C	C	.	.	S	Bend	trans	-101.6	150.3	177	-58.4	-176.1	0	0	0	111.9	G431 K435 T456 T457 M463 A464 V467	G431-L459 VanDerWaalsContact C-CD2 3.43Å; K435-L459 HydrophobicContact CB-CD1 4.43Å; K435-L459 HydrophobicContact CG-CD1 4.49Å; T456-L459 PolarHBondContact O-N 3.17Å; T457-L459 VanDerWaalsContact C-N 3.26Å; T457-L459 PolarHBondContact O-N 3.28Å; L459-M463 HydrophobicContact CB-CB 4.41Å; L459-A464 HydrophobicContact CB-CB 4.18Å; L459-V467 HydrophobicContact CD1-CG2 3.83Å
460	D	90.6	Very high	92.6	Very high	89 Å²	89	36.5 Å²	36.5	48%	0.476	21%	0.206	S	C	.	.			trans	-68.4	163	166.1	74.5	67.9	0	0	0	111.6	Y462 M463 A464	D460-Y462 VanDerWaalsContact C-N 3.26Å; D460-Y462 PolarHBondContact O-N 2.74Å; D460-Y462 WeakPolarHBondContact OD1-CA 3.36Å; D460-Y462 VanDerWaalsContact OD1-CB 3.29Å; D460-Y462 WeakPolarHBondContact OD1-CB 3.31Å; D460-Y462 PolarHBondContact OD1-N 3.34Å; D460-M463 PolarHBondContact O-N 2.92Å; D460-M463 PolarHBondContact OD1-N 3.45Å; D460-M463 WeakPolarHBondContact OD2-CG 3.4Å; D460-A464 VanDerWaalsContact O-CB 3.27Å; D460-A464 WeakPolarHBondContact O-CB 3.42Å; D460-A464 PolarHBondContact O-N 3.02Å
461	A	89.3	Confident	92.7	Very high	47 Å²	47	36.5 Å²	36.5	39%	0.388	21%	0.206	S	C	.	.	H	α-helix	trans	-64.6	-23.5	-174.3	0	0	0	0	0	115	G465 K489	A461-G465 PolarHBondContact O-N 3.38Å; A461-K489 HydrophobicContact CB-CD 3.93Å
462	Y	91.4	Very high	92.6	Very high	149 Å²	149	38 Å²	38	58%	0.584	21%	0.213	S	C	*	.	H	α-helix	trans	-79.6	-49.7	174.8	174	-85.3	0	0	0	109.8	D460 G465 Q466	D460-Y462 VanDerWaalsContact C-N 3.26Å; D460-Y462 PolarHBondContact O-N 2.74Å; D460-Y462 WeakPolarHBondContact OD1-CA 3.36Å; D460-Y462 VanDerWaalsContact OD1-CB 3.29Å; D460-Y462 WeakPolarHBondContact OD1-CB 3.31Å; D460-Y462 PolarHBondContact OD1-N 3.34Å; Y462-G465 CarbonylContact O-C 3.52Å; Y462-G465 WeakPolarHBondContact O-CA 3.18Å; Y462-G465 PolarHBondContact O-N 3.38Å; Y462-Q466 HydrophobicContact CD1-CG 4.18Å; Y462-Q466 HydrophobicContact CE1-CG 3.83Å; Y462-Q466 WeakPolarHBondContact O-CG 3.4Å; Y462-Q466 PolarHBondContact O-N 3.4Å; Y462-Q466 PolarHBondContact OH-NE2 3.12Å
463	M	92.3	Very high	92.5	Very high	54 Å²	54	40.4 Å²	40.4	27%	0.266	23%	0.232	S	C	.	.	H	α-helix	trans	-63.7	-43.3	179.9	-67.3	-61.9	174.6	0	0	112.2	L459 D460 G465 Q466 V467	L459-M463 HydrophobicContact CB-CB 4.41Å; D460-M463 PolarHBondContact O-N 2.92Å; D460-M463 PolarHBondContact OD1-N 3.45Å; D460-M463 WeakPolarHBondContact OD2-CG 3.4Å; M463-G465 VanDerWaalsContact C-N 3.26Å; M463-G465 PolarHBondContact O-N 3.04Å; M463-Q466 PolarHBondContact O-N 3.37Å; M463-Q466 VanDerWaalsContact O-N 3.1Å; M463-V467 WeakPolarHBondContact O-CG2 3.48Å; M463-V467 PolarHBondContact O-N 3.18Å
464	A	93.5	Very high	92.3	Very high	6 Å²	6	40.2 Å²	40.2	5%	0.05	23%	0.231	C	C	.	.	H	α-helix	trans	-55.5	-43	169.5	0	0	0	0	0	111.6	T456 L459 D460 Q466 V467 V468 I492	T456-A464 HydrophobicContact CG2-CB 3.82Å; L459-A464 HydrophobicContact CB-CB 4.18Å; D460-A464 VanDerWaalsContact O-CB 3.27Å; D460-A464 WeakPolarHBondContact O-CB 3.42Å; D460-A464 PolarHBondContact O-N 3.02Å; A464-Q466 VanDerWaalsContact C-N 3.34Å; A464-Q466 PolarHBondContact O-N 3.35Å; A464-V467 PolarHBondContact O-N 2.74Å; A464-V468 WeakPolarHBondContact O-CG2 3.39Å; A464-V468 PolarHBondContact O-N 3.45Å; A464-I492 HydrophobicContact CB-CD1 4.09Å
465	G	92.8	Very high	92.3	Very high	11 Å²	11	39.4 Å²	39.4	11%	0.113	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-36.3	175	0	0	0	0	0	113.7	A461 Y462 M463 K469	A461-G465 PolarHBondContact O-N 3.38Å; Y462-G465 CarbonylContact O-C 3.52Å; Y462-G465 WeakPolarHBondContact O-CA 3.18Å; Y462-G465 PolarHBondContact O-N 3.38Å; M463-G465 VanDerWaalsContact C-N 3.26Å; M463-G465 PolarHBondContact O-N 3.04Å; G465-K469 VanDerWaalsContact O-CG 3.27Å; G465-K469 WeakPolarHBondContact O-CG 3.37Å; G465-K469 PolarHBondContact O-N 3.44Å
466	Q	92.3	Very high	92.2	Very high	52 Å²	52	47.5 Å²	47.5	24%	0.243	26%	0.263	C	S	.	.	H	α-helix	trans	-71.8	-44.6	174.9	-57.4	-63.1	26.5	0	0	111.7	Y462 M463 A464 V468 K469 T470	Y462-Q466 HydrophobicContact CD1-CG 4.18Å; Y462-Q466 HydrophobicContact CE1-CG 3.83Å; Y462-Q466 WeakPolarHBondContact O-CG 3.4Å; Y462-Q466 PolarHBondContact O-N 3.4Å; Y462-Q466 PolarHBondContact OH-NE2 3.12Å; M463-Q466 PolarHBondContact O-N 3.37Å; M463-Q466 VanDerWaalsContact O-N 3.1Å; A464-Q466 VanDerWaalsContact C-N 3.34Å; A464-Q466 PolarHBondContact O-N 3.35Å; Q466-V468 VanDerWaalsContact C-N 3.33Å; Q466-V468 PolarHBondContact O-N 3.02Å; Q466-K469 WeakPolarHBondContact O-CB 3.49Å; Q466-K469 PolarHBondContact O-N 2.79Å; Q466-K469 VanDerWaalsContact O-N 3.12Å; Q466-K469 VanDerWaalsContact OE1-CD 3.31Å; Q466-T470 PolarHBondContact O-N 3.08Å; Q466-T470 PolarHBondContact O-OG1 2.87Å
467	V	93.7	Very high	91.9	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-56.3	-46.3	175.9	173.8	0	0	0	0	111	K435 R436 I439 L459 M463 A464 K469 T470 L471	K435-V467 HydrophobicContact CB-CG2 4.45Å; K435-V467 HydrophobicContact CG-CG1 4.44Å; R436-V467 HydrophobicContact CG-CG2 4.26Å; I439-V467 HydrophobicContact CD1-CG1 3.9Å; L459-V467 HydrophobicContact CD1-CG2 3.83Å; M463-V467 WeakPolarHBondContact O-CG2 3.48Å; M463-V467 PolarHBondContact O-N 3.18Å; A464-V467 PolarHBondContact O-N 2.74Å; V467-K469 PolarHBondContact O-N 2.9Å; V467-T470 WeakPolarHBondContact O-CB 3.4Å; V467-T470 PolarHBondContact O-N 3.35Å; V467-L471 WeakPolarHBondContact O-CG 3.41Å; V467-L471 PolarHBondContact O-N 2.94Å
468	V	94.9	Very high	91.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66.6	-34.3	178.4	178.6	0	0	0	0	112.1	M318 T456 A464 Q466 L471 K472 I492 L495	M318-V468 HydrophobicContact CE-CG1 3.86Å; T456-V468 HydrophobicContact CG2-CG2 3.75Å; A464-V468 WeakPolarHBondContact O-CG2 3.39Å; A464-V468 PolarHBondContact O-N 3.45Å; Q466-V468 VanDerWaalsContact C-N 3.33Å; Q466-V468 PolarHBondContact O-N 3.02Å; V468-L471 PolarHBondContact O-N 3.37Å; V468-K472 PolarHBondContact O-N 3.37Å; V468-I492 HydrophobicContact CB-CG1 4.33Å; V468-I492 HydrophobicContact CB-CG2 4.48Å; V468-I492 HydrophobicContact CG1-CG2 4.07Å; V468-I492 HydrophobicContact CG2-CD1 4.33Å; V468-I492 HydrophobicContact CG2-CG1 4.2Å; V468-I492 HydrophobicContact CG2-CG2 4.02Å; V468-L495 HydrophobicContact CB-CD1 4.39Å; V468-L495 HydrophobicContact CG1-CB 4.24Å; V468-L495 HydrophobicContact CG1-CD1 3.67Å
469	K	93.8	Very high	92	Very high	114 Å²	114	45.5 Å²	45.5	50%	0.496	23%	0.231	S	C	.	.	H	α-helix	trans	-64.8	-40.4	171.6	-72.4	169.8	-161.3	167.9	0	112.1	G465 Q466 V467 K472 A473 L495	G465-K469 VanDerWaalsContact O-CG 3.27Å; G465-K469 WeakPolarHBondContact O-CG 3.37Å; G465-K469 PolarHBondContact O-N 3.44Å; Q466-K469 WeakPolarHBondContact O-CB 3.49Å; Q466-K469 PolarHBondContact O-N 2.79Å; Q466-K469 VanDerWaalsContact O-N 3.12Å; Q466-K469 VanDerWaalsContact OE1-CD 3.31Å; V467-K469 PolarHBondContact O-N 2.9Å; K469-K472 WeakPolarHBondContact O-CB 3.45Å; K469-K472 PolarHBondContact O-N 3.29Å; K469-K472 VanDerWaalsContact O-N 3.11Å; K469-A473 PolarHBondContact O-N 3Å; K469-L495 HydrophobicContact CG-CD1 4.1Å
470	T	92.8	Very high	92.2	Very high	20 Å²	20	43.7 Å²	43.7	12%	0.123	22%	0.221	C	C	.	.	H	α-helix	trans	-60.2	-46.8	173	-56.3	0	0	0	0	110.3	L411 Q466 V467 K472 A473 L474	L411-T470 HydrophobicContact CD2-CG2 3.58Å; Q466-T470 PolarHBondContact O-N 3.08Å; Q466-T470 PolarHBondContact O-OG1 2.87Å; V467-T470 WeakPolarHBondContact O-CB 3.4Å; V467-T470 PolarHBondContact O-N 3.35Å; T470-K472 VanDerWaalsContact C-N 3.27Å; T470-K472 PolarHBondContact O-N 2.85Å; T470-A473 WeakPolarHBondContact O-CB 3.35Å; T470-A473 PolarHBondContact O-N 3.39Å; T470-A473 VanDerWaalsContact O-N 3.08Å; T470-L474 HydrophobicContact CG2-CD1 4.28Å; T470-L474 VanDerWaalsContact O-CG 3.31Å; T470-L474 WeakPolarHBondContact O-CG 3.38Å; T470-L474 PolarHBondContact O-N 2.88Å
471	L	94.7	Very high	92.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-56.9	-38.4	171.9	-63.4	176.6	0	0	0	112.3	M318 I439 L452 P455 V467 V468 L474 A475 I481	M318-L471 HydrophobicContact CE-CB 3.68Å; M318-L471 HydrophobicContact CE-CD1 4.47Å; M318-L471 HydrophobicContact SD-CB 4.44Å; I439-L471 HydrophobicContact CD1-CD2 4.23Å; L452-L471 HydrophobicContact CD1-CD1 4.43Å; L452-L471 HydrophobicContact CD1-CD2 4.03Å; L452-L471 HydrophobicContact CD2-CD1 4.17Å; L452-L471 HydrophobicContact CD2-CD2 3.75Å; P455-L471 HydrophobicContact CG-CD1 4.27Å; V467-L471 WeakPolarHBondContact O-CG 3.41Å; V467-L471 PolarHBondContact O-N 2.94Å; V468-L471 PolarHBondContact O-N 3.37Å; L471-L474 HydrophobicContact CD2-CD1 4.18Å; L471-L474 PolarHBondContact O-N 3.08Å; L471-A475 WeakPolarHBondContact O-CB 3.27Å; L471-A475 PolarHBondContact O-N 3.11Å; L471-I481 HydrophobicContact CD2-CD1 4.43Å; L471-I481 HydrophobicContact CD2-CG2 4.32Å; L471-I481 WeakPolarHBondContact O-CD1 3.49Å
472	K	94.7	Very high	92.8	Very high	32 Å²	32	37.2 Å²	37.2	14%	0.139	18%	0.18	C	C	.	.	H	α-helix	trans	-66.1	-38	175.3	-168	64.7	177.9	-170.3	0	112.9	M318 V468 K469 T470 K476 L495 D497	M318-K472 HydrophobicContact CG-CD 3.92Å; M318-K472 WeakPolarHBondContact SD-CA 3.16Å; M318-K472 HydrophobicContact SD-CB 3.62Å; M318-K472 HydrophobicContact SD-CD 3.4Å; M318-K472 WeakPolarHBondContact SD-CD 3.31Å; M318-K472 HydrophobicContact SD-CG 4.13Å; V468-K472 PolarHBondContact O-N 3.37Å; K469-K472 WeakPolarHBondContact O-CB 3.45Å; K469-K472 PolarHBondContact O-N 3.29Å; K469-K472 VanDerWaalsContact O-N 3.11Å; T470-K472 VanDerWaalsContact C-N 3.27Å; T470-K472 PolarHBondContact O-N 2.85Å; K472-K476 WeakPolarHBondContact O-CB 3.47Å; K472-K476 WeakPolarHBondContact O-CG 3.32Å; K472-K476 PolarHBondContact O-N 3.37Å; K472-L495 HydrophobicContact CD-CB 4.5Å; K472-L495 WeakPolarHBondContact CD-O 3.35Å; K472-L495 WeakPolarHBondContact CE-O 3.45Å; K472-L495 HydrophobicContact CG-CD2 4.45Å; K472-L495 PolarHBondContact NZ-O 3.07Å; K472-D497 IonicContact NZ-OD1 3.87Å; K472-D497 PolarHBondContact NZ-OD1 3.37Å; K472-D497 IonicContact NZ-OD2 3.64Å; K472-D497 PolarHBondContact NZ-OD2 2.9Å
473	A	92.4	Very high	93	Very high	49 Å²	49	30.1 Å²	30.1	41%	0.405	15%	0.152	S	C	.	.	H	α-helix	trans	-64.9	-42.7	175.1	0	0	0	0	0	111.5	K469 T470 K476 R477	K469-A473 PolarHBondContact O-N 3Å; T470-A473 WeakPolarHBondContact O-CB 3.35Å; T470-A473 PolarHBondContact O-N 3.39Å; T470-A473 VanDerWaalsContact O-N 3.08Å; A473-K476 PolarHBondContact O-N 3.32Å; A473-R477 PolarHBondContact O-N 3.48Å
474	L	91.5	Very high	93.2	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-61.8	-46.1	174.8	-65.4	168.4	0	0	0	111.9	E410 I439 L443 T470 L471 K476 R477 I481	E410-L474 HydrophobicContact CG-CD2 3.85Å; E410-L474 WeakPolarHBondContact OE1-CD2 3.2Å; I439-L474 HydrophobicContact CG2-CD1 4.15Å; L443-L474 HydrophobicContact CD1-CD1 3.78Å; L443-L474 HydrophobicContact CD1-CD2 3.6Å; L443-L474 HydrophobicContact CD1-CG 4.37Å; L443-L474 HydrophobicContact CD2-CD1 4.36Å; L443-L474 HydrophobicContact CD2-CD2 4.04Å; T470-L474 HydrophobicContact CG2-CD1 4.28Å; T470-L474 VanDerWaalsContact O-CG 3.31Å; T470-L474 WeakPolarHBondContact O-CG 3.38Å; T470-L474 PolarHBondContact O-N 2.88Å; L471-L474 HydrophobicContact CD2-CD1 4.18Å; L471-L474 PolarHBondContact O-N 3.08Å; L474-K476 PolarHBondContact O-N 2.88Å; L474-R477 PolarHBondContact O-N 3.06Å; L474-I481 HydrophobicContact CB-CD1 3.64Å
475	A	93	Very high	93.2	Very high	6 Å²	6	27.3 Å²	27.3	5%	0.05	14%	0.138	C	C	.	.	H	α-helix	trans	-63.6	-38.9	177.5	0	0	0	0	0	112.4	M318 L471 R477 G478 I481	M318-A475 HydrophobicContact CG-CB 3.67Å; L471-A475 WeakPolarHBondContact O-CB 3.27Å; L471-A475 PolarHBondContact O-N 3.11Å; A475-R477 PolarHBondContact O-N 2.89Å; A475-G478 PolarHBondContact O-N 3.18Å; A475-I481 HydrophobicContact CB-CD1 3.96Å; A475-I481 HydrophobicContact CB-CG1 4.25Å
476	K	91.7	Very high	92.9	Very high	171 Å²	171	29.4 Å²	29.4	74%	0.743	14%	0.144	S	C	*	.	H	α-helix	trans	-59.6	-23.9	175.3	-82.7	179.6	175	-172.4	0	113.8	K472 A473 L474 G478	K472-K476 WeakPolarHBondContact O-CB 3.47Å; K472-K476 WeakPolarHBondContact O-CG 3.32Å; K472-K476 PolarHBondContact O-N 3.37Å; A473-K476 PolarHBondContact O-N 3.32Å; L474-K476 PolarHBondContact O-N 2.88Å; K476-G478 PolarHBondContact O-N 3.21Å
477	R	87.1	Confident	92.6	Very high	94 Å²	94	31.5 Å²	31.5	36%	0.355	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	0.6	174	-62.2	-170.6	-176.5	-172.1	14.7	113.9	E410 A473 L474 A475	E410-R477 VanDerWaalsContact OE1-CD 3.3Å; E410-R477 WeakPolarHBondContact OE1-CD 3.47Å; E410-R477 IonicContact OE1-CZ 2.66Å; E410-R477 IonicContact OE1-NE 2.65Å; E410-R477 PolarHBondContact OE1-NE 3.11Å; E410-R477 IonicContact OE1-NH1 3.74Å; E410-R477 PolarHBondContact OE1-NH1 3.12Å; E410-R477 IonicContact OE1-NH2 3.73Å; E410-R477 PolarHBondContact OE1-NH2 2.95Å; E410-R477 IonicContact OE2-CZ 2.86Å; E410-R477 IonicContact OE2-NH1 3.92Å; E410-R477 PolarHBondContact OE2-NH1 3.11Å; E410-R477 IonicContact OE2-NH2 2.64Å; E410-R477 PolarHBondContact OE2-NH2 3.38Å; A473-R477 PolarHBondContact O-N 3.48Å; L474-R477 PolarHBondContact O-N 3.06Å; A475-R477 PolarHBondContact O-N 2.89Å
478	G	87.3	Confident	92.6	Very high	19 Å²	19	31.7 Å²	31.7	20%	0.196	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	105	-0.4	177.4	0	0	0	0	0	114.8	G279 A475 K476	G279-G478 WeakPolarHBondContact CA-O 3.49Å; G279-G478 PolarHBondContact N-O 2.95Å; G279-G478 VanDerWaalsContact N-O 3.11Å; A475-G478 PolarHBondContact O-N 3.18Å; K476-G478 PolarHBondContact O-N 3.21Å
479	R	91.4	Very high	92.4	Very high	3 Å²	3	37.7 Å²	37.7	1%	0.011	18%	0.181	C	C	.	.			trans	-70.5	143.5	179.6	-62	179.4	-176	-85.6	4.4	111.9	I277 G317 E446 P447 I481	I277-R479 HydrophobicContact CD1-CG 4.48Å; I277-R479 HydrophobicContact CG2-CG 4.49Å; G317-R479 PolarHBondContact N-O 3.34Å; G317-R479 VanDerWaalsContact N-O 3.13Å; E446-R479 IonicContact OE1-NH2 3.91Å; P447-R479 PolarHBondContact O-NH1 2.93Å; R479-I481 HydrophobicContact CB-CG1 4.23Å
480	T	94.4	Very high	92.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	109.4	168.8	-60.3	0	0	0	0	108.9	A280 P316 P448 V449 L450 I482	A280-T480 PolarHBondContact N-OG1 3.04Å; A280-T480 WeakPolarHBondContact O-CB 3.3Å; A280-T480 PolarHBondContact O-OG1 2.83Å; P316-T480 WeakPolarHBondContact CA-OG1 3.32Å; P448-T480 WeakPolarHBondContact O-CB 3.44Å; P448-T480 PolarHBondContact O-N 3.05Å; V449-T480 CarbonylContact C-O 3.59Å; V449-T480 VanDerWaalsContact CA-O 3.32Å; V449-T480 WeakPolarHBondContact CA-O 3.34Å; V449-T480 HydrophobicContact CG1-CG2 4.36Å; L450-T480 PolarHBondContact N-O 3.14Å; T480-I482 HydrophobicContact CG2-CD1 4.2Å; T480-I482 HydrophobicContact CG2-CG1 4.18Å
481	I	95.9	Very high	92.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.5	-179.8	-53.2	-170.6	0	0	0	109.2	G317 N319 L450 L452 L471 L474 A475 R479 F483	G317-I481 PolarHBondContact O-N 2.95Å; N319-I481 WeakPolarHBondContact CB-O 3.19Å; N319-I481 PolarHBondContact N-O 2.88Å; N319-I481 PolarHBondContact ND2-O 3.5Å; L450-I481 HydrophobicContact CB-CG1 4.45Å; L450-I481 HydrophobicContact CD2-CD1 4.44Å; L450-I481 WeakPolarHBondContact O-CA 3.49Å; L452-I481 HydrophobicContact CD1-CG2 3.52Å; L471-I481 HydrophobicContact CD2-CD1 4.43Å; L471-I481 HydrophobicContact CD2-CG2 4.32Å; L471-I481 WeakPolarHBondContact O-CD1 3.49Å; L474-I481 HydrophobicContact CB-CD1 3.64Å; A475-I481 HydrophobicContact CB-CD1 3.96Å; A475-I481 HydrophobicContact CB-CG1 4.25Å; R479-I481 HydrophobicContact CB-CG1 4.23Å; I481-F483 HydrophobicContact CG2-CD1 4.22Å
482	I	96.5	Very high	92.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123.6	-175.8	-53.9	164.2	0	0	0	107.7	L282 L314 N319 L321 L333 V449 L450 F451 L452 T480	L282-I482 HydrophobicContact CD1-CD1 4.15Å; L314-I482 HydrophobicContact CB-CD1 4.17Å; L314-I482 HydrophobicContact CB-CG1 4.32Å; L314-I482 HydrophobicContact CD1-CB 4.49Å; L314-I482 HydrophobicContact CD1-CD1 3.52Å; L314-I482 HydrophobicContact CD1-CG1 3.83Å; L314-I482 HydrophobicContact CD1-CG2 3.81Å; L314-I482 HydrophobicContact CG-CD1 4.48Å; N319-I482 HydrophobicContact CB-CG1 4.33Å; N319-I482 WeakPolarHBondContact O-CA 2.81Å; L321-I482 HydrophobicContact CD1-CG2 4.25Å; L321-I482 HydrophobicContact CG-CG2 4.37Å; L333-I482 HydrophobicContact CD1-CB 4.43Å; L333-I482 HydrophobicContact CD1-CG2 3.76Å; V449-I482 HydrophobicContact CG1-CD1 3.71Å; L450-I482 PolarHBondContact O-N 3.49Å; F451-I482 CarbonylContact C-O 3.55Å; F451-I482 VanDerWaalsContact CA-O 3.27Å; F451-I482 WeakPolarHBondContact CA-O 3.14Å; F451-I482 HydrophobicContact CD1-CB 4.04Å; F451-I482 HydrophobicContact CD1-CD1 4.02Å; F451-I482 HydrophobicContact CD1-CG2 4.34Å; F451-I482 HydrophobicContact CE1-CB 4.43Å; F451-I482 HydrophobicContact CE1-CD1 3.56Å; F451-I482 HydrophobicContact CZ-CD1 4.28Å; L452-I482 PolarHBondContact N-O 3.21Å; T480-I482 HydrophobicContact CG2-CD1 4.2Å; T480-I482 HydrophobicContact CG2-CG1 4.18Å
483	F	96.7	Very high	92.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	143.8	-176.9	59.7	-81.2	0	0	0	113.1	M318 N319 A320 L321 L452 P455 I481 I485 F496	M318-F483 HydrophobicContact CB-CE1 4.2Å; M318-F483 HydrophobicContact CE-CD1 4.45Å; M318-F483 HydrophobicContact CE-CE1 3.52Å; M318-F483 HydrophobicContact CE-CZ 3.69Å; N319-F483 WeakPolarHBondContact O-CD1 3.32Å; N319-F483 WeakPolarHBondContact O-CE1 3.46Å; N319-F483 PolarHBondContact O-N 3.19Å; A320-F483 HydrophobicContact CB-CE1 4.4Å; A320-F483 HydrophobicContact CB-CE2 3.86Å; A320-F483 HydrophobicContact CB-CZ 3.73Å; L321-F483 PolarHBondContact N-O 3.39Å; L452-F483 HydrophobicContact CB-CB 3.97Å; L452-F483 HydrophobicContact CD1-CB 4.18Å; L452-F483 WeakPolarHBondContact O-CA 3.49Å; L452-F483 WeakPolarHBondContact O-CB 3.45Å; P455-F483 HydrophobicContact CG-CB 4.07Å; P455-F483 HydrophobicContact CG-CD2 4.37Å; P455-F483 HydrophobicContact CG-CG 4.46Å; I481-F483 HydrophobicContact CG2-CD1 4.22Å; F483-I485 HydrophobicContact CD2-CB 4.27Å; F483-I485 HydrophobicContact CE2-CB 4.34Å; F483-I485 HydrophobicContact CE2-CD1 4.35Å; F483-I485 HydrophobicContact CE2-CG2 4.27Å; F483-F496 HydrophobicContact CE2-CD1 4.35Å; F483-F496 AromaticContact CE2-CE1 3.75Å; F483-F496 HydrophobicContact CE2-CE1 3.75Å; F483-F496 HydrophobicContact CE2-CZ 4.05Å; F483-F496 AromaticContact CZ-CD1 3.71Å; F483-F496 HydrophobicContact CZ-CD1 3.71Å; F483-F496 AromaticContact CZ-CE1 3.57Å; F483-F496 HydrophobicContact CZ-CE1 3.57Å; F483-F496 HydrophobicContact CZ-CG 4.5Å; F483-F496 HydrophobicContact CZ-CZ 4.23Å
484	S	95.9	Very high	92.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	145.4	167.3	48.4	0	0	0	0	110.3	L321 L452 D453 E454 P455	L321-S484 CarbonylContact O-C 3.59Å; L321-S484 WeakPolarHBondContact O-CA 3.46Å; L452-S484 PolarHBondContact O-N 3.46Å; L452-S484 VanDerWaalsContact O-N 3.15Å; D453-S484 WeakPolarHBondContact CA-OG 3.46Å; D453-S484 PolarHBondContact OD1-OG 3.23Å; E454-S484 WeakPolarHBondContact CA-O 3.39Å; E454-S484 PolarHBondContact N-OG 2.93Å; P455-S484 VanDerWaalsContact CD-O 3.31Å; P455-S484 WeakPolarHBondContact CD-O 3.17Å
485	I	93.9	Very high	92.6	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	21%	0.211	C	C	.	.			trans	-149.7	149.1	174.1	-164.9	153.7	0	0	0	111.9	A320 L321 M322 T456 F483 P488 I492 F496	A320-I485 HydrophobicContact CB-CG2 4.5Å; L321-I485 PolarHBondContact O-N 2.9Å; M322-I485 HydrophobicContact CB-CG2 4.41Å; T456-I485 HydrophobicContact CG2-CD1 3.93Å; T456-I485 WeakPolarHBondContact OG1-CD1 3.47Å; F483-I485 HydrophobicContact CD2-CB 4.27Å; F483-I485 HydrophobicContact CE2-CB 4.34Å; F483-I485 HydrophobicContact CE2-CD1 4.35Å; F483-I485 HydrophobicContact CE2-CG2 4.27Å; I485-P488 HydrophobicContact CD1-CB 3.86Å; I485-P488 HydrophobicContact CG1-CB 4.14Å; I485-P488 HydrophobicContact CG1-CG 4.44Å; I485-P488 HydrophobicContact CG2-CG 4.22Å; I485-I492 HydrophobicContact CD1-CG2 3.97Å; I485-F496 HydrophobicContact CD1-CZ 4.32Å; I485-F496 HydrophobicContact CG2-CE2 4.39Å; I485-F496 HydrophobicContact CG2-CZ 4.13Å
486	H	86.1	Confident	92.8	Very high	55 Å²	55	44.5 Å²	44.5	26%	0.255	21%	0.208	S	C	.	.	S	Bend	trans	-115	134.2	175.1	-160.7	-90.6	0	0	0	109.4
487	Q	86.5	Confident	92.9	Very high	96 Å²	96	38.6 Å²	38.6	45%	0.449	19%	0.185	S	C	.	.	S	Bend	trans	34.2	61.8	174	-71.1	167.6	-38.6	0	0	115.4	M539	Q487-M539 HydrophobicContact CG-CG 4.29Å
488	P	93	Very high	93.3	Very high	4 Å²	4	34.5 Å²	34.5	3%	0.026	17%	0.17	C	C	.	.			trans	-72.4	135.4	-179.9	28.2	-32.4	0	0	0	112.1	M322 I485 I492 F496 N533 P535	M322-P488 VanDerWaalsContact SD-CD 3.58Å; M322-P488 HydrophobicContact SD-CG 3.93Å; I485-P488 HydrophobicContact CD1-CB 3.86Å; I485-P488 HydrophobicContact CG1-CB 4.14Å; I485-P488 HydrophobicContact CG1-CG 4.44Å; I485-P488 HydrophobicContact CG2-CG 4.22Å; P488-I492 HydrophobicContact CB-CB 4.21Å; P488-I492 HydrophobicContact CB-CG2 3.61Å; P488-F496 HydrophobicContact CB-CZ 4.15Å; P488-F496 HydrophobicContact CG-CE2 4.15Å; P488-F496 HydrophobicContact CG-CZ 4.11Å; P488-N533 PolarHBondContact O-ND2 3.34Å; P488-P535 HydrophobicContact CG-CB 3.78Å; P488-P535 HydrophobicContact CG-CG 3.99Å; P488-P535 WeakPolarHBondContact O-CG 3.49Å
489	K	92.1	Very high	93.8	Very high	127 Å²	127	33.6 Å²	33.6	55%	0.552	16%	0.161	S	C	*	.			trans	-57.8	150.8	169.8	-66.2	-161.4	177.7	-170.4	0	112	A461 S491 I492 Y493	A461-K489 HydrophobicContact CB-CD 3.93Å; K489-S491 PolarHBondContact O-N 2.71Å; K489-I492 WeakPolarHBondContact O-CA 3.2Å; K489-I492 WeakPolarHBondContact O-CB 3.34Å; K489-I492 PolarHBondContact O-N 2.8Å; K489-Y493 PolarHBondContact O-N 2.82Å
490	Y	92.7	Very high	94	Very high	122 Å²	122	33.5 Å²	33.5	48%	0.478	16%	0.16	S	C	.	.	H	α-helix	trans	-49	-36.3	180	-170.8	-142.6	0	0	0	114.6	I492 Y493 K494 N533 P534	Y490-I492 VanDerWaalsContact C-N 3.34Å; Y490-I492 PolarHBondContact O-N 3.21Å; Y490-Y493 HydrophobicContact CD2-CD1 4.22Å; Y490-Y493 HydrophobicContact CE2-CD1 4.47Å; Y490-Y493 PolarHBondContact O-N 3.22Å; Y490-K494 HydrophobicContact CD2-CG 4.44Å; Y490-K494 VanDerWaalsContact CE1-NZ 3.33Å; Y490-K494 HydrophobicContact CE2-CG 4.25Å; Y490-K494 WeakPolarHBondContact O-CG 3.35Å; Y490-K494 PolarHBondContact O-N 2.89Å; Y490-K494 VanDerWaalsContact O-N 3.11Å; Y490-K494 WeakPolarHBondContact OH-CE 3.47Å; Y490-N533 WeakPolarHBondContact CA-OD1 3.22Å; Y490-N533 WeakPolarHBondContact CB-OD1 3.3Å; Y490-N533 PolarHBondContact N-OD1 2.82Å; Y490-P534 HydrophobicContact CE2-CG 4.32Å
491	S	93.3	Very high	94	Very high	77 Å²	77	33.5 Å²	33.5	54%	0.538	16%	0.16	S	C	.	.	H	α-helix	trans	-64.8	-32.8	176.8	51.3	0	0	0	0	113.8	K489	K489-S491 PolarHBondContact O-N 2.71Å
492	I	94.6	Very high	93.9	Very high	8 Å²	8	33.5 Å²	33.5	4%	0.041	16%	0.161	C	C	.	.	H	α-helix	trans	-77.4	-48.1	173.7	-75.7	170.1	0	0	0	109.5	A464 V468 I485 P488 K489 Y490 K494 L495 F496	A464-I492 HydrophobicContact CB-CD1 4.09Å; V468-I492 HydrophobicContact CB-CG1 4.33Å; V468-I492 HydrophobicContact CB-CG2 4.48Å; V468-I492 HydrophobicContact CG1-CG2 4.07Å; V468-I492 HydrophobicContact CG2-CD1 4.33Å; V468-I492 HydrophobicContact CG2-CG1 4.2Å; V468-I492 HydrophobicContact CG2-CG2 4.02Å; I485-I492 HydrophobicContact CD1-CG2 3.97Å; P488-I492 HydrophobicContact CB-CB 4.21Å; P488-I492 HydrophobicContact CB-CG2 3.61Å; K489-I492 WeakPolarHBondContact O-CA 3.2Å; K489-I492 WeakPolarHBondContact O-CB 3.34Å; K489-I492 PolarHBondContact O-N 2.8Å; Y490-I492 VanDerWaalsContact C-N 3.34Å; Y490-I492 PolarHBondContact O-N 3.21Å; I492-K494 VanDerWaalsContact C-N 3.31Å; I492-K494 PolarHBondContact O-N 2.91Å; I492-L495 WeakPolarHBondContact O-CB 3.32Å; I492-L495 PolarHBondContact O-N 3.37Å; I492-F496 HydrophobicContact CG2-CE1 3.65Å; I492-F496 HydrophobicContact CG2-CZ 3.71Å; I492-F496 WeakPolarHBondContact O-CE1 3.45Å
493	Y	94.6	Very high	93.7	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-55.9	-39.5	-178.8	174.1	-114	0	0	0	113.8	K489 Y490 L495 F496 L499 K514 P517 P534 P535 F538	K489-Y493 PolarHBondContact O-N 2.82Å; Y490-Y493 HydrophobicContact CD2-CD1 4.22Å; Y490-Y493 HydrophobicContact CE2-CD1 4.47Å; Y490-Y493 PolarHBondContact O-N 3.22Å; Y493-L495 PolarHBondContact O-N 3.02Å; Y493-F496 AromaticContact CD2-CD2 3.71Å; Y493-F496 HydrophobicContact CD2-CD2 3.71Å; Y493-F496 AromaticContact CD2-CE2 3.91Å; Y493-F496 HydrophobicContact CD2-CE2 3.91Å; Y493-F496 HydrophobicContact CE2-CD2 4.32Å; Y493-F496 PolarHBondContact O-N 2.79Å; Y493-F496 VanDerWaalsContact O-N 3.14Å; Y493-L499 HydrophobicContact CE2-CD2 4.32Å; Y493-K514 WeakPolarHBondContact OH-CA 3.46Å; Y493-K514 PolarHBondContact OH-N 2.98Å; Y493-K514 VanDerWaalsContact OH-N 3.09Å; Y493-K514 PolarHBondContact OH-O 2.95Å; Y493-P517 VanDerWaalsContact OH-CG 3.24Å; Y493-P517 WeakPolarHBondContact OH-CG 3.31Å; Y493-P534 HydrophobicContact CD1-CB 4.46Å; Y493-P534 HydrophobicContact CE1-CB 3.96Å; Y493-P534 HydrophobicContact CE1-CG 4.27Å; Y493-P535 HydrophobicContact CD1-CG 4.09Å; Y493-P535 HydrophobicContact CD2-CG 3.66Å; Y493-P535 HydrophobicContact CE2-CG 4.38Å; Y493-P535 HydrophobicContact CG-CG 3.49Å; Y493-P535 VanDerWaalsContact CG-CG 3.49Å; Y493-F538 HydrophobicContact CE2-CE2 4.16Å
494	K	94	Very high	93.4	Very high	110 Å²	110	40.2 Å²	40.2	48%	0.478	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-24.1	175.9	-78.5	178.2	-176.2	-179.2	0	114.3	Y490 I492 K514	Y490-K494 HydrophobicContact CD2-CG 4.44Å; Y490-K494 VanDerWaalsContact CE1-NZ 3.33Å; Y490-K494 HydrophobicContact CE2-CG 4.25Å; Y490-K494 WeakPolarHBondContact O-CG 3.35Å; Y490-K494 PolarHBondContact O-N 2.89Å; Y490-K494 VanDerWaalsContact O-N 3.11Å; Y490-K494 WeakPolarHBondContact OH-CE 3.47Å; I492-K494 VanDerWaalsContact C-N 3.31Å; I492-K494 PolarHBondContact O-N 2.91Å; K494-K514 WeakPolarHBondContact O-CE 3.27Å
495	L	95	Very high	93.2	Very high	44 Å²	44	40.2 Å²	40.2	23%	0.23	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-16.4	-176.7	-58.7	175	0	0	0	113.1	M318 V468 K469 K472 I492 Y493	M318-L495 HydrophobicContact SD-CB 4.45Å; V468-L495 HydrophobicContact CB-CD1 4.39Å; V468-L495 HydrophobicContact CG1-CB 4.24Å; V468-L495 HydrophobicContact CG1-CD1 3.67Å; K469-L495 HydrophobicContact CG-CD1 4.1Å; K472-L495 HydrophobicContact CD-CB 4.5Å; K472-L495 WeakPolarHBondContact CD-O 3.35Å; K472-L495 WeakPolarHBondContact CE-O 3.45Å; K472-L495 HydrophobicContact CG-CD2 4.45Å; K472-L495 PolarHBondContact NZ-O 3.07Å; I492-L495 WeakPolarHBondContact O-CB 3.32Å; I492-L495 PolarHBondContact O-N 3.37Å; Y493-L495 PolarHBondContact O-N 3.02Å
496	F	95.6	Very high	93.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.196	C	C	.	.			trans	-68.8	149.2	-178	-54.8	-11.3	0	0	0	111.3	A320 F483 I485 P488 I492 Y493 L499 A513 K514	A320-F496 HydrophobicContact CB-CD1 4.32Å; A320-F496 HydrophobicContact CB-CD2 3.53Å; A320-F496 HydrophobicContact CB-CE1 4.43Å; A320-F496 HydrophobicContact CB-CE2 3.65Å; A320-F496 HydrophobicContact CB-CG 3.9Å; A320-F496 HydrophobicContact CB-CZ 4.11Å; F483-F496 HydrophobicContact CE2-CD1 4.35Å; F483-F496 AromaticContact CE2-CE1 3.75Å; F483-F496 HydrophobicContact CE2-CE1 3.75Å; F483-F496 HydrophobicContact CE2-CZ 4.05Å; F483-F496 AromaticContact CZ-CD1 3.71Å; F483-F496 HydrophobicContact CZ-CD1 3.71Å; F483-F496 AromaticContact CZ-CE1 3.57Å; F483-F496 HydrophobicContact CZ-CE1 3.57Å; F483-F496 HydrophobicContact CZ-CG 4.5Å; F483-F496 HydrophobicContact CZ-CZ 4.23Å; I485-F496 HydrophobicContact CD1-CZ 4.32Å; I485-F496 HydrophobicContact CG2-CE2 4.39Å; I485-F496 HydrophobicContact CG2-CZ 4.13Å; P488-F496 HydrophobicContact CB-CZ 4.15Å; P488-F496 HydrophobicContact CG-CE2 4.15Å; P488-F496 HydrophobicContact CG-CZ 4.11Å; I492-F496 HydrophobicContact CG2-CE1 3.65Å; I492-F496 HydrophobicContact CG2-CZ 3.71Å; I492-F496 WeakPolarHBondContact O-CE1 3.45Å; Y493-F496 AromaticContact CD2-CD2 3.71Å; Y493-F496 HydrophobicContact CD2-CD2 3.71Å; Y493-F496 AromaticContact CD2-CE2 3.91Å; Y493-F496 HydrophobicContact CD2-CE2 3.91Å; Y493-F496 HydrophobicContact CE2-CD2 4.32Å; Y493-F496 PolarHBondContact O-N 2.79Å; Y493-F496 VanDerWaalsContact O-N 3.14Å; F496-L499 HydrophobicContact CD2-CD1 4.49Å; F496-A513 HydrophobicContact CB-CB 3.67Å; F496-K514 WeakPolarHBondContact O-CE 3.45Å; F496-K514 PolarHBondContact O-NZ 2.61Å
497	D	95.4	Very high	93.5	Very high	47 Å²	47	40.3 Å²	40.3	25%	0.251	19%	0.187	S	C	.	.	S	Bend	trans	-103.9	-43.9	173.2	-60.2	-50.3	0	0	0	110.8	M318 K472 L512 A513 K514	M318-D497 PolarHBondContact N-OD2 2.87Å; M318-D497 PolarHBondContact O-N 3.03Å; K472-D497 IonicContact NZ-OD1 3.87Å; K472-D497 PolarHBondContact NZ-OD1 3.37Å; K472-D497 IonicContact NZ-OD2 3.64Å; K472-D497 PolarHBondContact NZ-OD2 2.9Å; D497-L512 WeakPolarHBondContact O-CA 3.47Å; D497-A513 PolarHBondContact O-N 3.31Å; D497-K514 IonicContact OD1-NZ 3.15Å; D497-K514 PolarHBondContact OD1-NZ 2.97Å
498	T	95.4	Very high	93.9	Very high	8 Å²	8	35.8 Å²	35.8	5%	0.049	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	154.1	170	64.5	0	0	0	0	111.5	M318 N319 A320 G511	M318-T498 PolarHBondContact O-N 2.86Å; M318-T498 VanDerWaalsContact O-N 3.09Å; N319-T498 WeakPolarHBondContact CA-OG1 3.4Å; N319-T498 VanDerWaalsContact CB-OG1 3.22Å; N319-T498 WeakPolarHBondContact CB-OG1 3.33Å; N319-T498 PolarHBondContact OD1-OG1 3.22Å; A320-T498 PolarHBondContact N-O 2.8Å; T498-G511 CarbonylContact C-O 3.59Å; T498-G511 WeakPolarHBondContact CA-O 3.25Å; T498-G511 VanDerWaalsContact CB-O 3.26Å; T498-G511 WeakPolarHBondContact CB-O 3.44Å
499	L	96	Very high	94	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	134.6	176.1	179.9	69.9	0	0	0	109	A320 M322 Y493 F496 L501 Y509 G511 A513 P517 F538	A320-L499 HydrophobicContact CB-CD1 4.22Å; M322-L499 HydrophobicContact CB-CD1 4.19Å; Y493-L499 HydrophobicContact CE2-CD2 4.32Å; F496-L499 HydrophobicContact CD2-CD1 4.49Å; L499-L501 HydrophobicContact CD1-CD2 4.25Å; L499-L501 HydrophobicContact CD2-CD1 4.49Å; L499-L501 HydrophobicContact CD2-CD2 4.13Å; L499-L501 HydrophobicContact CD2-CG 4.18Å; L499-L501 HydrophobicContact CG-CD2 4.22Å; L499-L501 HydrophobicContact CG-CG 4.32Å; L499-Y509 HydrophobicContact CB-CE1 4.44Å; L499-Y509 HydrophobicContact CD2-CD1 4.43Å; L499-G511 PolarHBondContact N-O 3.34Å; L499-G511 PolarHBondContact O-N 2.87Å; L499-A513 HydrophobicContact CB-CB 4.28Å; L499-P517 HydrophobicContact CD2-CB 4.16Å; L499-P517 HydrophobicContact CD2-CG 4.04Å; L499-F538 HydrophobicContact CD2-CD2 4.09Å; L499-F538 HydrophobicContact CD2-CE2 3.9Å
500	T	95.9	Very high	94.1	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122.5	168.3	-48.2	0	0	0	0	109.2	A320 L321 M322 I502 I507 Y509 H510	A320-T500 PolarHBondContact O-N 3.28Å; L321-T500 HydrophobicContact CD2-CG2 4.36Å; M322-T500 PolarHBondContact N-O 2.94Å; T500-I502 HydrophobicContact CG2-CD1 4.38Å; T500-I502 HydrophobicContact CG2-CG1 4Å; T500-I507 HydrophobicContact CG2-CD1 4.03Å; T500-I507 HydrophobicContact CG2-CG1 4.15Å; T500-I507 HydrophobicContact CG2-CG2 4.49Å; T500-Y509 CarbonylContact C-O 3.47Å; T500-Y509 VanDerWaalsContact CA-O 3.27Å; T500-Y509 WeakPolarHBondContact CA-O 3.29Å; T500-H510 HydrophobicContact CG2-CB 4.25Å; T500-H510 PolarHBondContact OG1-ND1 2.92Å
501	L	95.2	Very high	94.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	127.8	174.3	-62.4	179.7	0	0	0	109.7	M322 L499 I507 I508 Y509 F521 F538	M322-L501 HydrophobicContact CB-CD2 3.93Å; M322-L501 HydrophobicContact CG-CD2 4.08Å; M322-L501 WeakPolarHBondContact O-CA 3.16Å; L499-L501 HydrophobicContact CD1-CD2 4.25Å; L499-L501 HydrophobicContact CD2-CD1 4.49Å; L499-L501 HydrophobicContact CD2-CD2 4.13Å; L499-L501 HydrophobicContact CD2-CG 4.18Å; L499-L501 HydrophobicContact CG-CD2 4.22Å; L499-L501 HydrophobicContact CG-CG 4.32Å; L501-I507 WeakPolarHBondContact O-CA 3.33Å; L501-I508 HydrophobicContact CB-CB 4.31Å; L501-I508 PolarHBondContact O-N 2.96Å; L501-Y509 PolarHBondContact N-O 3.04Å; L501-F521 HydrophobicContact CD1-CE2 3.61Å; L501-F521 HydrophobicContact CD1-CZ 3.67Å; L501-F538 HydrophobicContact CD1-CB 4.01Å; L501-F538 HydrophobicContact CD1-CD2 4.37Å; L501-F538 HydrophobicContact CD1-CG 4.18Å
502	I	93.8	Very high	94.2	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128.2	-172.3	-50.4	173.3	0	0	0	110.3	L321 M322 S327 L332 T500 Q506	L321-I502 HydrophobicContact CB-CD1 4.45Å; M322-I502 PolarHBondContact O-N 2.71Å; S327-I502 WeakPolarHBondContact CB-O 3.07Å; S327-I502 WeakPolarHBondContact O-CG2 3.49Å; S327-I502 PolarHBondContact OG-O 3.17Å; L332-I502 HydrophobicContact CD2-CD1 3.57Å; T500-I502 HydrophobicContact CG2-CD1 4.38Å; T500-I502 HydrophobicContact CG2-CG1 4Å; I502-Q506 CarbonylContact C-O 3.53Å; I502-Q506 WeakPolarHBondContact CA-O 3.5Å; I502-Q506 WeakPolarHBondContact CG2-O 3.22Å
503	Y	93	Very high	94.1	Very high	3 Å²	3	26.7 Å²	26.7	1%	0.012	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130	177.8	-179.1	-93.3	0	0	0	110.8	P324 G505 Q506 I508 I542 M568 H569 I576	P324-Y503 HydrophobicContact CG-CD2 4.23Å; Y503-G505 PolarHBondContact O-N 3.05Å; Y503-Q506 PolarHBondContact N-O 2.95Å; Y503-Q506 PolarHBondContact O-N 3.18Å; Y503-I508 VanDerWaalsContact CB-CD1 3.42Å; Y503-I508 HydrophobicContact CG-CD1 4.09Å; Y503-I542 HydrophobicContact CD2-CG2 3.46Å; Y503-I542 VanDerWaalsContact CD2-CG2 3.46Å; Y503-I542 HydrophobicContact CE2-CG2 3.99Å; Y503-I542 HydrophobicContact CG-CG2 4.39Å; Y503-M568 HydrophobicContact CE2-CE 3.84Å; Y503-M568 HydrophobicContact CE2-CG 4.1Å; Y503-M568 VanDerWaalsContact CZ-O 3.29Å; Y503-M568 PolarHBondContact OH-O 2.79Å; Y503-H569 WeakPolarHBondContact OH-CA 3.49Å; Y503-I576 HydrophobicContact CD1-CD1 3.88Å
504	R	90.2	Very high	93.8	Very high	137 Å²	137	30.8 Å²	30.8	52%	0.517	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	42.8	31.3	-179.2	-68	-173.1	-174.8	-147.9	-2.1	115.6	H569	R504-H569 PolarHBondContact NH1-CD2 3.31Å; R504-H569 PolarHBondContact NH1-NE2 2.91Å
505	G	90.3	Very high	93.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.7	-0.5	-179.8	0	0	0	0	0	116.4	I306 L307 D308 V310 S327 Y503	I306-G505 WeakPolarHBondContact O-CA 3.37Å; L307-G505 WeakPolarHBondContact CA-O 3.34Å; D308-G505 PolarHBondContact N-O 3.39Å; V310-G505 WeakPolarHBondContact CG2-O 3.47Å; S327-G505 PolarHBondContact O-N 3.27Å; Y503-G505 PolarHBondContact O-N 3.05Å
506	Q	93.7	Very high	93.5	Very high	47 Å²	47	33.6 Å²	33.6	22%	0.22	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	159.9	-179.8	-66.7	169.2	-40.6	0	0	110.8	D308 I502 Y503 I576	D308-Q506 HydrophobicContact CB-CG 3.85Å; D308-Q506 PolarHBondContact OD2-NE2 3.23Å; I502-Q506 CarbonylContact C-O 3.53Å; I502-Q506 WeakPolarHBondContact CA-O 3.5Å; I502-Q506 WeakPolarHBondContact CG2-O 3.22Å; Y503-Q506 PolarHBondContact N-O 2.95Å; Y503-Q506 PolarHBondContact O-N 3.18Å; Q506-I576 HydrophobicContact CB-CD1 3.99Å; Q506-I576 HydrophobicContact CB-CG1 4.1Å; Q506-I576 HydrophobicContact CB-CG2 4.19Å
507	I	94.4	Very high	93.4	Very high	12 Å²	12	33.6 Å²	33.6	6%	0.062	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	135.7	179.9	-67.9	178	0	0	0	110.9	F284 V310 S311 T500 L501 Y509 H510 W579	F284-I507 HydrophobicContact CE2-CD1 4.23Å; V310-I507 HydrophobicContact CG1-CD1 3.93Å; V310-I507 HydrophobicContact CG1-CG1 4.23Å; S311-I507 WeakPolarHBondContact O-CD1 3.5Å; T500-I507 HydrophobicContact CG2-CD1 4.03Å; T500-I507 HydrophobicContact CG2-CG1 4.15Å; T500-I507 HydrophobicContact CG2-CG2 4.49Å; L501-I507 WeakPolarHBondContact O-CA 3.33Å; I507-Y509 WeakPolarHBondContact CG2-O 3.39Å; I507-H510 HydrophobicContact CD1-CB 4.43Å; I507-H510 HydrophobicContact CG2-CB 3.96Å; I507-W579 HydrophobicContact CG2-CD2 4.35Å; I507-W579 HydrophobicContact CG2-CG 4.38Å; I507-W579 HydrophobicContact CG2-CZ2 4.35Å
508	I	93.7	Very high	93.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-28.9	169.5	-75.8	178.6	0	0	0	112	L501 Y503 Y520 F521 I542 L575 I576 W579	L501-I508 HydrophobicContact CB-CB 4.31Å; L501-I508 PolarHBondContact O-N 2.96Å; Y503-I508 VanDerWaalsContact CB-CD1 3.42Å; Y503-I508 HydrophobicContact CG-CD1 4.09Å; I508-Y520 VanDerWaalsContact O-CE1 3.24Å; I508-Y520 WeakPolarHBondContact O-CE1 3Å; I508-Y520 PolarHBondContact O-OH 3.1Å; I508-Y520 VanDerWaalsContact O-OH 3.06Å; I508-F521 HydrophobicContact CG2-CE1 4.19Å; I508-F521 HydrophobicContact CG2-CZ 3.96Å; I508-I542 HydrophobicContact CD1-CD1 4.08Å; I508-I542 HydrophobicContact CD1-CG1 3.89Å; I508-L575 HydrophobicContact CD1-CB 3.73Å; I508-L575 HydrophobicContact CD1-CD1 4.09Å; I508-L575 HydrophobicContact CG1-CB 3.89Å; I508-L575 HydrophobicContact CG2-CB 4.01Å; I508-I576 HydrophobicContact CG1-CG1 3.98Å; I508-W579 WeakPolarHBondContact O-CB 3.39Å
509	Y	94.7	Very high	93.1	Very high	3 Å²	3	40.6 Å²	40.6	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	137.9	176	179.3	-99.8	0	0	0	110.2	L499 T500 L501 I507 L512 E516 P517 Y520 W579 M584	L499-Y509 HydrophobicContact CB-CE1 4.44Å; L499-Y509 HydrophobicContact CD2-CD1 4.43Å; T500-Y509 CarbonylContact C-O 3.47Å; T500-Y509 VanDerWaalsContact CA-O 3.27Å; T500-Y509 WeakPolarHBondContact CA-O 3.29Å; L501-Y509 PolarHBondContact N-O 3.04Å; I507-Y509 WeakPolarHBondContact CG2-O 3.39Å; Y509-L512 PolarHBondContact OH-O 3.03Å; Y509-L512 VanDerWaalsContact OH-O 3.11Å; Y509-E516 WeakPolarHBondContact OH-CB 3.41Å; Y509-P517 HydrophobicContact CD1-CB 4.09Å; Y509-P517 HydrophobicContact CE1-CB 3.8Å; Y509-P517 HydrophobicContact CE1-CG 4.31Å; Y509-P517 HydrophobicContact CE2-CB 4.44Å; Y509-Y520 AromaticContact CD2-CD1 3.43Å; Y509-Y520 HydrophobicContact CD2-CD1 3.43Å; Y509-Y520 VanDerWaalsContact CD2-CD1 3.43Å; Y509-Y520 AromaticContact CD2-CE1 3.9Å; Y509-Y520 HydrophobicContact CD2-CE1 3.9Å; Y509-Y520 AromaticContact CD2-CG 3.77Å; Y509-Y520 HydrophobicContact CD2-CG 3.77Å; Y509-Y520 HydrophobicContact CE2-CD1 4.16Å; Y509-Y520 HydrophobicContact CE2-CG 4.08Å; Y509-Y520 HydrophobicContact CG-CD1 4.18Å; Y509-Y520 HydrophobicContact CG-CE1 4.47Å; Y509-W579 HydrophobicContact CD2-CE3 4.4Å; Y509-W579 AromaticContact CD2-CZ3 3.89Å; Y509-W579 HydrophobicContact CD2-CZ3 3.89Å; Y509-W579 HydrophobicContact CE2-CZ3 4.43Å; Y509-M584 HydrophobicContact CE2-CE 4.3Å; Y509-M584 HydrophobicContact CE2-SD 4.41Å
510	H	95.3	Very high	92.9	Very high	7 Å²	7	40.9 Å²	40.9	3%	0.032	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	111.5	169.9	176.6	78.8	0	0	0	110.4	I313 T500 I507 W579	I313-H510 PolarHBondContact N-NE2 2.75Å; I313-H510 PolarHBondContact O-CE1 2.76Å; I313-H510 VanDerWaalsContact O-CE1 3.31Å; I313-H510 PolarHBondContact O-NE2 3.47Å; I313-H510 VanDerWaalsContact O-NE2 3.16Å; T500-H510 HydrophobicContact CG2-CB 4.25Å; T500-H510 PolarHBondContact OG1-ND1 2.92Å; I507-H510 HydrophobicContact CD1-CB 4.43Å; I507-H510 HydrophobicContact CG2-CB 3.96Å; H510-W579 HydrophobicContact CB-CH2 4.2Å; H510-W579 HydrophobicContact CB-CZ2 3.81Å; H510-W579 VanDerWaalsContact N-CH2 3.3Å; H510-W579 VanDerWaalsContact O-CH2 3.29Å; H510-W579 WeakPolarHBondContact O-CH2 3.35Å
511	G	93.9	Very high	92.7	Very high	20 Å²	20	40.9 Å²	40.9	21%	0.206	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.8	-161.6	-174.3	0	0	0	0	0	114.5	T498 L499	T498-G511 CarbonylContact C-O 3.59Å; T498-G511 WeakPolarHBondContact CA-O 3.25Å; T498-G511 VanDerWaalsContact CB-O 3.26Å; T498-G511 WeakPolarHBondContact CB-O 3.44Å; L499-G511 PolarHBondContact N-O 3.34Å; L499-G511 PolarHBondContact O-N 2.87Å
512	L	94.7	Very high	92.5	Very high	112 Å²	112	43 Å²	43	59%	0.586	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	144.3	173.9	-67.7	174.9	0	0	0	110.8	D497 Y509 E516 P517	D497-L512 WeakPolarHBondContact O-CA 3.47Å; Y509-L512 PolarHBondContact OH-O 3.03Å; Y509-L512 VanDerWaalsContact OH-O 3.11Å; L512-E516 HydrophobicContact CB-CG 4.36Å; L512-P517 VanDerWaalsContact O-CD 3.32Å; L512-P517 WeakPolarHBondContact O-CD 3.27Å
513	A	91.4	Very high	92.3	Very high	6 Å²	6	51.2 Å²	51.2	5%	0.05	24%	0.238	C	C	.	.	S	Bend	trans	-78	-169.2	175.4	0	0	0	0	0	112.5	F496 D497 L499 K515	F496-A513 HydrophobicContact CB-CB 3.67Å; D497-A513 PolarHBondContact O-N 3.31Å; L499-A513 HydrophobicContact CB-CB 4.28Å; A513-K515 PolarHBondContact O-N 3.2Å
514	K	89.1	Confident	92.1	Very high	89 Å²	89	52.4 Å²	52.4	39%	0.387	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	-94.6	174.7	-53.6	146.4	-174.5	142.2	0	113.1	Y493 K494 F496 D497	Y493-K514 WeakPolarHBondContact OH-CA 3.46Å; Y493-K514 PolarHBondContact OH-N 2.98Å; Y493-K514 VanDerWaalsContact OH-N 3.09Å; Y493-K514 PolarHBondContact OH-O 2.95Å; K494-K514 WeakPolarHBondContact O-CE 3.27Å; F496-K514 WeakPolarHBondContact O-CE 3.45Å; F496-K514 PolarHBondContact O-NZ 2.61Å; D497-K514 IonicContact OD1-NZ 3.15Å; D497-K514 PolarHBondContact OD1-NZ 2.97Å
515	K	90.2	Very high	91.9	Very high	151 Å²	151	46.2 Å²	46.2	66%	0.657	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-29.3	-171.6	-70.3	-169.4	176.4	-173.2	0	114.3	A513 I518 R519	A513-K515 PolarHBondContact O-N 3.2Å; K515-I518 PolarHBondContact O-N 3.33Å; K515-R519 WeakPolarHBondContact O-CG 3.46Å; K515-R519 PolarHBondContact O-N 2.82Å
516	E	92.2	Very high	91.9	Very high	62 Å²	62	46.3 Å²	46.3	29%	0.29	22%	0.224	S	C	.	.	H	α-helix	trans	-67.2	-37.8	-174.7	-56.2	-41.7	116.6	0	0	115.4	Y509 L512 I518 R519 Y520	Y509-E516 WeakPolarHBondContact OH-CB 3.41Å; L512-E516 HydrophobicContact CB-CG 4.36Å; E516-I518 VanDerWaalsContact C-N 3.33Å; E516-I518 PolarHBondContact O-N 3.02Å; E516-R519 VanDerWaalsContact CD-NH1 3.34Å; E516-R519 WeakPolarHBondContact O-CB 3.09Å; E516-R519 PolarHBondContact O-N 2.78Å; E516-R519 WeakPolarHBondContact OE1-CD 3.44Å; E516-R519 IonicContact OE1-CZ 2.73Å; E516-R519 IonicContact OE1-NE 3.97Å; E516-R519 IonicContact OE1-NH1 3.95Å; E516-R519 PolarHBondContact OE1-NH1 3.28Å; E516-R519 WeakPolarHBondContact OE2-CD 3.38Å; E516-R519 IonicContact OE2-CZ 2.91Å; E516-R519 IonicContact OE2-NH1 3.08Å; E516-R519 PolarHBondContact OE2-NH1 3.43Å; E516-R519 VanDerWaalsContact OE2-NH1 3.13Å; E516-Y520 PolarHBondContact O-N 3.07Å
517	P	92.2	Very high	91.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.5	-34.8	173.3	24	-34.5	0	0	0	112.2	Y493 L499 Y509 L512 R519 Y520 F521 F538	Y493-P517 VanDerWaalsContact OH-CG 3.24Å; Y493-P517 WeakPolarHBondContact OH-CG 3.31Å; L499-P517 HydrophobicContact CD2-CB 4.16Å; L499-P517 HydrophobicContact CD2-CG 4.04Å; Y509-P517 HydrophobicContact CD1-CB 4.09Å; Y509-P517 HydrophobicContact CE1-CB 3.8Å; Y509-P517 HydrophobicContact CE1-CG 4.31Å; Y509-P517 HydrophobicContact CE2-CB 4.44Å; L512-P517 VanDerWaalsContact O-CD 3.32Å; L512-P517 WeakPolarHBondContact O-CD 3.27Å; P517-R519 VanDerWaalsContact C-N 3.31Å; P517-R519 PolarHBondContact O-N 2.78Å; P517-Y520 WeakPolarHBondContact O-CB 3.42Å; P517-Y520 PolarHBondContact O-N 3.38Å; P517-F521 WeakPolarHBondContact O-CD2 3.34Å; P517-F521 PolarHBondContact O-N 3.49Å; P517-F538 HydrophobicContact CB-CE1 4.06Å; P517-F538 HydrophobicContact CB-CE2 4.01Å; P517-F538 HydrophobicContact CB-CZ 3.6Å; P517-F538 HydrophobicContact CG-CE2 3.95Å; P517-F538 HydrophobicContact CG-CZ 3.64Å
518	I	92.4	Very high	91.2	Very high	54 Å²	54	48.5 Å²	48.5	28%	0.277	24%	0.242	S	C	.	.	H	α-helix	trans	-64.1	-40.1	174.6	-50.2	176.3	0	0	0	110.1	K515 E516 G522 C528 P534 F538	K515-I518 PolarHBondContact O-N 3.33Å; E516-I518 VanDerWaalsContact C-N 3.33Å; E516-I518 PolarHBondContact O-N 3.02Å; I518-G522 PolarHBondContact O-N 3.48Å; I518-C528 HydrophobicContact CG2-CB 4.05Å; I518-P534 HydrophobicContact CD1-CB 3.85Å; I518-P534 HydrophobicContact CD1-CG 3.77Å; I518-P534 HydrophobicContact CG1-CB 4.13Å; I518-F538 HydrophobicContact CG1-CE1 4.13Å; I518-F538 HydrophobicContact CG1-CZ 3.86Å
519	R	92.1	Very high	90.8	Very high	149 Å²	149	55.2 Å²	55.2	56%	0.562	27%	0.273	S	S	*	.	H	α-helix	trans	-65.3	-37.9	173.4	-73.2	166.5	155.7	-171.4	-12.4	112.7	K515 E516 P517 R523	K515-R519 WeakPolarHBondContact O-CG 3.46Å; K515-R519 PolarHBondContact O-N 2.82Å; E516-R519 VanDerWaalsContact CD-NH1 3.34Å; E516-R519 WeakPolarHBondContact O-CB 3.09Å; E516-R519 PolarHBondContact O-N 2.78Å; E516-R519 WeakPolarHBondContact OE1-CD 3.44Å; E516-R519 IonicContact OE1-CZ 2.73Å; E516-R519 IonicContact OE1-NE 3.97Å; E516-R519 IonicContact OE1-NH1 3.95Å; E516-R519 PolarHBondContact OE1-NH1 3.28Å; E516-R519 WeakPolarHBondContact OE2-CD 3.38Å; E516-R519 IonicContact OE2-CZ 2.91Å; E516-R519 IonicContact OE2-NH1 3.08Å; E516-R519 PolarHBondContact OE2-NH1 3.43Å; E516-R519 VanDerWaalsContact OE2-NH1 3.13Å; P517-R519 VanDerWaalsContact C-N 3.31Å; P517-R519 PolarHBondContact O-N 2.78Å; R519-R523 WeakPolarHBondContact O-CG 3.49Å; R519-R523 PolarHBondContact O-N 3.14Å
520	Y	93	Very high	90.2	Very high	6 Å²	6	62.1 Å²	62.1	2%	0.024	31%	0.31	C	S	.	.	H	α-helix	trans	-62.6	-57.1	176	172.5	-119	0	0	0	111.5	I508 Y509 E516 P517 G522 R523 L524 W579 M584	I508-Y520 VanDerWaalsContact O-CE1 3.24Å; I508-Y520 WeakPolarHBondContact O-CE1 3Å; I508-Y520 PolarHBondContact O-OH 3.1Å; I508-Y520 VanDerWaalsContact O-OH 3.06Å; Y509-Y520 AromaticContact CD2-CD1 3.43Å; Y509-Y520 HydrophobicContact CD2-CD1 3.43Å; Y509-Y520 VanDerWaalsContact CD2-CD1 3.43Å; Y509-Y520 AromaticContact CD2-CE1 3.9Å; Y509-Y520 HydrophobicContact CD2-CE1 3.9Å; Y509-Y520 AromaticContact CD2-CG 3.77Å; Y509-Y520 HydrophobicContact CD2-CG 3.77Å; Y509-Y520 HydrophobicContact CE2-CD1 4.16Å; Y509-Y520 HydrophobicContact CE2-CG 4.08Å; Y509-Y520 HydrophobicContact CG-CD1 4.18Å; Y509-Y520 HydrophobicContact CG-CE1 4.47Å; E516-Y520 PolarHBondContact O-N 3.07Å; P517-Y520 WeakPolarHBondContact O-CB 3.42Å; P517-Y520 PolarHBondContact O-N 3.38Å; Y520-G522 PolarHBondContact O-N 2.79Å; Y520-R523 WeakPolarHBondContact O-CB 3.29Å; Y520-R523 PolarHBondContact O-N 3.06Å; Y520-L524 HydrophobicContact CD1-CD1 4.45Å; Y520-L524 HydrophobicContact CD2-CD1 4.49Å; Y520-L524 HydrophobicContact CE1-CD1 3.9Å; Y520-L524 HydrophobicContact CE2-CD1 3.95Å; Y520-L524 HydrophobicContact CE2-CG 4.25Å; Y520-L524 PolarHBondContact O-N 2.71Å; Y520-L524 VanDerWaalsContact O-N 3.11Å; Y520-W579 HydrophobicContact CE1-CE3 4.43Å; Y520-W579 HydrophobicContact CE2-CE3 4.22Å; Y520-W579 AromaticContact CZ-CE3 3.87Å; Y520-W579 VanDerWaalsContact OH-CA 3.23Å; Y520-W579 WeakPolarHBondContact OH-CA 3.48Å; Y520-W579 WeakPolarHBondContact OH-CB 3.48Å; Y520-W579 PolarHBondContact OH-N 3Å; Y520-M584 HydrophobicContact CD2-CE 3.32Å; Y520-M584 HydrophobicContact CE2-CE 4.07Å; Y520-M584 HydrophobicContact CG-CE 3.89Å
521	F	92	Very high	89.7	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-61.2	-33.4	177.3	-72.3	-68	0	0	0	112.3	L501 I508 P517 L524 G525 Y526 F537 F538 V541 L575	L501-F521 HydrophobicContact CD1-CE2 3.61Å; L501-F521 HydrophobicContact CD1-CZ 3.67Å; I508-F521 HydrophobicContact CG2-CE1 4.19Å; I508-F521 HydrophobicContact CG2-CZ 3.96Å; P517-F521 WeakPolarHBondContact O-CD2 3.34Å; P517-F521 PolarHBondContact O-N 3.49Å; F521-L524 HydrophobicContact CD1-CD1 4.43Å; F521-L524 CarbonylContact O-C 3.52Å; F521-L524 WeakPolarHBondContact O-CA 3.2Å; F521-L524 WeakPolarHBondContact O-CB 3.07Å; F521-L524 PolarHBondContact O-N 3.26Å; F521-L524 VanDerWaalsContact O-N 3.12Å; F521-G525 PolarHBondContact O-N 3.03Å; F521-Y526 CarbonylContact C-O 3.59Å; F521-Y526 HydrophobicContact CD1-CD2 4.17Å; F521-Y526 PolarHBondContact O-N 3.38Å; F521-F537 HydrophobicContact CB-CE1 4Å; F521-F537 HydrophobicContact CB-CZ 4.19Å; F521-F537 HydrophobicContact CG-CE1 4.44Å; F521-F538 AromaticContact CD2-CD1 3.44Å; F521-F538 HydrophobicContact CD2-CD1 3.44Å; F521-F538 VanDerWaalsContact CD2-CD1 3.44Å; F521-F538 AromaticContact CD2-CE1 3.68Å; F521-F538 HydrophobicContact CD2-CE1 3.68Å; F521-F538 HydrophobicContact CD2-CG 4.4Å; F521-F538 HydrophobicContact CE2-CB 4.32Å; F521-F538 AromaticContact CE2-CD1 3.46Å; F521-F538 HydrophobicContact CE2-CD1 3.46Å; F521-F538 VanDerWaalsContact CE2-CD1 3.46Å; F521-F538 HydrophobicContact CE2-CE1 4.02Å; F521-F538 AromaticContact CE2-CG 3.99Å; F521-F538 HydrophobicContact CE2-CG 3.99Å; F521-F538 HydrophobicContact CG-CD1 4.49Å; F521-V541 HydrophobicContact CD1-CG1 3.89Å; F521-V541 HydrophobicContact CE1-CG1 3.81Å; F521-L575 HydrophobicContact CD1-CD2 4.41Å; F521-L575 HydrophobicContact CE1-CD2 4Å
522	G	90.6	Very high	89.5	Confident	43 Å²	43	73 Å²	73	44%	0.443	36%	0.357	S	S	.	.	H	α-helix	trans	-62.4	-39.3	170.8	0	0	0	0	0	114.3	I518 Y520 L524 G525 Y526	I518-G522 PolarHBondContact O-N 3.48Å; Y520-G522 PolarHBondContact O-N 2.79Å; G522-L524 VanDerWaalsContact C-N 3.27Å; G522-L524 PolarHBondContact O-N 2.82Å; G522-G525 PolarHBondContact O-N 3Å; G522-Y526 WeakPolarHBondContact CA-O 3.43Å; G522-Y526 PolarHBondContact N-O 2.9Å
523	R	89.5	Confident	89.3	Confident	175 Å²	175	68.8 Å²	68.8	66%	0.66	34%	0.335	S	S	*	.	H	α-helix	trans	-65.8	-30.1	171.1	-71.2	179.3	-172	-164.6	3.9	112.1	R519 Y520 G525 E583	R519-R523 WeakPolarHBondContact O-CG 3.49Å; R519-R523 PolarHBondContact O-N 3.14Å; Y520-R523 WeakPolarHBondContact O-CB 3.29Å; Y520-R523 PolarHBondContact O-N 3.06Å; R523-G525 VanDerWaalsContact C-N 3.28Å; R523-G525 PolarHBondContact O-N 3.44Å; R523-E583 IonicContact NH1-OE2 3.27Å; R523-E583 PolarHBondContact NH1-OE2 3.44Å; R523-E583 VanDerWaalsContact NH1-OE2 3.08Å
524	L	88.1	Confident	89.4	Confident	27 Å²	27	69 Å²	69	14%	0.141	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-2.1	177.5	-64.8	-174.1	0	0	0	114.2	Y520 F521 G522 Y526 R548 L575 D578	Y520-L524 HydrophobicContact CD1-CD1 4.45Å; Y520-L524 HydrophobicContact CD2-CD1 4.49Å; Y520-L524 HydrophobicContact CE1-CD1 3.9Å; Y520-L524 HydrophobicContact CE2-CD1 3.95Å; Y520-L524 HydrophobicContact CE2-CG 4.25Å; Y520-L524 PolarHBondContact O-N 2.71Å; Y520-L524 VanDerWaalsContact O-N 3.11Å; F521-L524 HydrophobicContact CD1-CD1 4.43Å; F521-L524 CarbonylContact O-C 3.52Å; F521-L524 WeakPolarHBondContact O-CA 3.2Å; F521-L524 WeakPolarHBondContact O-CB 3.07Å; F521-L524 PolarHBondContact O-N 3.26Å; F521-L524 VanDerWaalsContact O-N 3.12Å; G522-L524 VanDerWaalsContact C-N 3.27Å; G522-L524 PolarHBondContact O-N 2.82Å; L524-Y526 HydrophobicContact CB-CD2 3.89Å; L524-Y526 HydrophobicContact CB-CE2 4.07Å; L524-R548 PolarHBondContact O-NE 2.73Å; L524-R548 PolarHBondContact O-NH2 3.33Å; L524-L575 HydrophobicContact CD1-CD2 3.95Å; L524-D578 HydrophobicContact CD1-CB 4Å; L524-D578 HydrophobicContact CD2-CB 3.82Å
525	G	87.4	Confident	89.6	Confident	8 Å²	8	64.7 Å²	64.7	8%	0.082	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.2	1.4	177.7	0	0	0	0	0	115.6	F521 G522 R523 Q549 N550	F521-G525 PolarHBondContact O-N 3.03Å; G522-G525 PolarHBondContact O-N 3Å; R523-G525 VanDerWaalsContact C-N 3.28Å; R523-G525 PolarHBondContact O-N 3.44Å; G525-Q549 PolarHBondContact O-N 2.97Å; G525-N550 VanDerWaalsContact CA-O 3.27Å; G525-N550 WeakPolarHBondContact CA-O 3.45Å
526	Y	88.4	Confident	89.7	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.008	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-93.5	119.7	178.2	-56.9	-85.8	0	0	0	111	F521 G522 L524 V541 C546 R548 L575	F521-Y526 CarbonylContact C-O 3.59Å; F521-Y526 HydrophobicContact CD1-CD2 4.17Å; F521-Y526 PolarHBondContact O-N 3.38Å; G522-Y526 WeakPolarHBondContact CA-O 3.43Å; G522-Y526 PolarHBondContact N-O 2.9Å; L524-Y526 HydrophobicContact CB-CD2 3.89Å; L524-Y526 HydrophobicContact CB-CE2 4.07Å; Y526-V541 HydrophobicContact CD1-CB 4.49Å; Y526-V541 HydrophobicContact CD1-CG1 3.98Å; Y526-V541 HydrophobicContact CD1-CG2 3.82Å; Y526-V541 HydrophobicContact CD2-CG1 4.15Å; Y526-V541 HydrophobicContact CE1-CG1 3.86Å; Y526-V541 HydrophobicContact CE1-CG2 4.4Å; Y526-V541 HydrophobicContact CE2-CG1 4.06Å; Y526-V541 HydrophobicContact CG-CG1 4.11Å; Y526-V541 HydrophobicContact CG-CG2 4.02Å; Y526-C546 HydrophobicContact CD1-CB 4.36Å; Y526-C546 WeakPolarHBondContact CE1-O 3.43Å; Y526-R548 HydrophobicContact CD1-CG 3.98Å; Y526-R548 HydrophobicContact CD2-CG 4.29Å; Y526-R548 HydrophobicContact CE1-CG 3.4Å; Y526-R548 VanDerWaalsContact CE1-CG 3.4Å; Y526-R548 HydrophobicContact CE2-CG 3.76Å; Y526-R548 HydrophobicContact CG-CG 4.4Å; Y526-L575 HydrophobicContact CE2-CD2 3.76Å
527	V	87.1	Confident	89.7	Confident	77 Å²	77	56.7 Å²	56.7	47%	0.467	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-94.5	117.6	178.7	-178.9	0	0	0	0	109.8	E529 Q549	V527-E529 PolarHBondContact O-N 2.91Å; V527-Q549 VanDerWaalsContact CG2-OE1 3.32Å
528	C	87.1	Confident	89.7	Confident	28 Å²	28	56.7 Å²	56.7	19%	0.189	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-73	121	167.9	-178.3	0	0	0	0	109.1	I518 F537	I518-C528 HydrophobicContact CG2-CB 4.05Å; C528-F537 HydrophobicContact CB-CD1 3.78Å; C528-F537 HydrophobicContact CB-CD2 4.1Å; C528-F537 HydrophobicContact CB-CE1 3.72Å; C528-F537 HydrophobicContact CB-CE2 4.03Å; C528-F537 HydrophobicContact CB-CG 3.97Å; C528-F537 HydrophobicContact CB-CZ 3.84Å
529	E	85.9	Confident	89.7	Confident	141 Å²	141	54.2 Å²	54.2	66%	0.659	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-62.2	149.8	176.2	-63	-171.1	161	0	0	112.1	V527 N532	V527-E529 PolarHBondContact O-N 2.91Å; E529-N532 HydrophobicContact CB-CB 4.28Å; E529-N532 PolarHBondContact O-N 2.97Å
530	N	81.7	Confident	89.6	Confident	147 Å²	147	48.8 Å²	48.8	79%	0.786	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	138.4	170.2	-70.5	-47.1	0	0	0	109.5	N532	N530-N532 PolarHBondContact O-N 3.26Å
531	H	84.6	Confident	89.4	Confident	197 Å²	197	48.5 Å²	48.5	91%	0.912	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	-9.5	-176.5	-45.7	-85.3	0	0	0	117
532	N	89.1	Confident	89.3	Confident	59 Å²	59	48.5 Å²	48.5	32%	0.316	25%	0.252	S	S	.	.	S	Bend	trans	-67.8	151.1	169.3	-163.6	0.7	0	0	0	110.9	E529 N530 P534	E529-N532 HydrophobicContact CB-CB 4.28Å; E529-N532 PolarHBondContact O-N 2.97Å; N530-N532 PolarHBondContact O-N 3.26Å; N532-P534 WeakPolarHBondContact O-CD 3.43Å
533	N	91.9	Very high	89.1	Confident	24 Å²	24	48.4 Å²	48.4	13%	0.128	24%	0.24	C	C	.	.			trans	-80.2	115.3	177.5	-174.9	32.3	0	0	0	109.2	P488 Y490 P535 D536 F537	P488-N533 PolarHBondContact O-ND2 3.34Å; Y490-N533 WeakPolarHBondContact CA-OD1 3.22Å; Y490-N533 WeakPolarHBondContact CB-OD1 3.3Å; Y490-N533 PolarHBondContact N-OD1 2.82Å; N533-P535 VanDerWaalsContact C-CD 3.42Å; N533-P535 VanDerWaalsContact OD1-CD 3.28Å; N533-P535 WeakPolarHBondContact OD1-CD 3.5Å; N533-D536 HydrophobicContact CB-CB 4.31Å; N533-D536 WeakPolarHBondContact CB-OD2 3.08Å; N533-D536 VanDerWaalsContact ND2-CG 3.34Å; N533-D536 PolarHBondContact ND2-OD2 2.92Å; N533-D536 PolarHBondContact O-N 3.47Å; N533-F537 PolarHBondContact O-N 3.2Å; N533-F537 VanDerWaalsContact O-N 3.1Å
534	P	92.6	Very high	88.7	Confident	9 Å²	9	40.2 Å²	40.2	6%	0.058	21%	0.209	C	C	.	.	H	α-helix	trans	-55.3	-37.9	-173	-26.2	34.4	0	0	0	116.3	Y490 Y493 I518 N532 D536 F538	Y490-P534 HydrophobicContact CE2-CG 4.32Å; Y493-P534 HydrophobicContact CD1-CB 4.46Å; Y493-P534 HydrophobicContact CE1-CB 3.96Å; Y493-P534 HydrophobicContact CE1-CG 4.27Å; I518-P534 HydrophobicContact CD1-CB 3.85Å; I518-P534 HydrophobicContact CD1-CG 3.77Å; I518-P534 HydrophobicContact CG1-CB 4.13Å; N532-P534 WeakPolarHBondContact O-CD 3.43Å; P534-D536 VanDerWaalsContact C-N 3.3Å; P534-D536 PolarHBondContact O-N 3.09Å; P534-F538 HydrophobicContact CB-CE2 4.2Å; P534-F538 HydrophobicContact CB-CZ 3.89Å; P534-F538 VanDerWaalsContact O-CD1 3.31Å; P534-F538 WeakPolarHBondContact O-CD1 3.31Å; P534-F538 WeakPolarHBondContact O-CD2 3.47Å; P534-F538 WeakPolarHBondContact O-CE2 3.47Å; P534-F538 WeakPolarHBondContact O-CG 3.28Å; P534-F538 PolarHBondContact O-N 3.36Å
535	P	92.5	Very high	88.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.9	-38.6	171.7	-24.1	34.7	0	0	0	114.2	M322 P488 Y493 N533 F538 M539	M322-P535 HydrophobicContact CE-CB 3.69Å; M322-P535 WeakPolarHBondContact CE-O 3.27Å; M322-P535 HydrophobicContact SD-CB 4.01Å; P488-P535 HydrophobicContact CG-CB 3.78Å; P488-P535 HydrophobicContact CG-CG 3.99Å; P488-P535 WeakPolarHBondContact O-CG 3.49Å; Y493-P535 HydrophobicContact CD1-CG 4.09Å; Y493-P535 HydrophobicContact CD2-CG 3.66Å; Y493-P535 HydrophobicContact CE2-CG 4.38Å; Y493-P535 HydrophobicContact CG-CG 3.49Å; Y493-P535 VanDerWaalsContact CG-CG 3.49Å; N533-P535 VanDerWaalsContact C-CD 3.42Å; N533-P535 VanDerWaalsContact OD1-CD 3.28Å; N533-P535 WeakPolarHBondContact OD1-CD 3.5Å; P535-F538 PolarHBondContact O-N 2.69Å; P535-M539 WeakPolarHBondContact O-CG 3.46Å; P535-M539 PolarHBondContact O-N 2.86Å
536	D	92.9	Very high	88	Confident	42 Å²	42	46 Å²	46	23%	0.225	24%	0.236	C	C	.	.	H	α-helix	trans	-74.7	-46.1	-177.9	-57.4	-27.4	0	0	0	108.6	N533 P534 F538 M539 D540	N533-D536 HydrophobicContact CB-CB 4.31Å; N533-D536 WeakPolarHBondContact CB-OD2 3.08Å; N533-D536 VanDerWaalsContact ND2-CG 3.34Å; N533-D536 PolarHBondContact ND2-OD2 2.92Å; N533-D536 PolarHBondContact O-N 3.47Å; P534-D536 VanDerWaalsContact C-N 3.3Å; P534-D536 PolarHBondContact O-N 3.09Å; D536-F538 PolarHBondContact O-N 3.32Å; D536-F538 VanDerWaalsContact O-N 3.12Å; D536-M539 CarbonylContact O-C 3.51Å; D536-M539 VanDerWaalsContact O-CA 3.32Å; D536-M539 WeakPolarHBondContact O-CA 3.29Å; D536-M539 VanDerWaalsContact O-CB 3.28Å; D536-M539 WeakPolarHBondContact O-CB 3.48Å; D536-M539 PolarHBondContact O-N 3.32Å; D536-D540 PolarHBondContact O-N 3.17Å; D536-D540 VanDerWaalsContact O-OD1 3.08Å
537	F	92.7	Very high	87.2	Confident	3 Å²	3	49.6 Å²	49.6	1%	0.013	26%	0.256	C	S	.	.	H	α-helix	trans	-49.6	-39.9	168	164.1	-102.2	0	0	0	113.7	F521 C528 N533 M539 D540 V541	F521-F537 HydrophobicContact CB-CE1 4Å; F521-F537 HydrophobicContact CB-CZ 4.19Å; F521-F537 HydrophobicContact CG-CE1 4.44Å; C528-F537 HydrophobicContact CB-CD1 3.78Å; C528-F537 HydrophobicContact CB-CD2 4.1Å; C528-F537 HydrophobicContact CB-CE1 3.72Å; C528-F537 HydrophobicContact CB-CE2 4.03Å; C528-F537 HydrophobicContact CB-CG 3.97Å; C528-F537 HydrophobicContact CB-CZ 3.84Å; N533-F537 PolarHBondContact O-N 3.2Å; N533-F537 VanDerWaalsContact O-N 3.1Å; F537-M539 VanDerWaalsContact C-N 3.29Å; F537-M539 PolarHBondContact O-N 3.05Å; F537-D540 WeakPolarHBondContact CA-OD2 3.42Å; F537-D540 PolarHBondContact N-OD2 3.27Å; F537-D540 PolarHBondContact O-N 2.89Å; F537-V541 HydrophobicContact CD2-CG2 4.06Å; F537-V541 HydrophobicContact CE1-CG2 4.41Å; F537-V541 HydrophobicContact CE2-CG2 3.65Å; F537-V541 HydrophobicContact CZ-CG2 3.85Å; F537-V541 WeakPolarHBondContact O-CB 3.49Å; F537-V541 VanDerWaalsContact O-CG2 3.27Å; F537-V541 WeakPolarHBondContact O-CG2 3.4Å; F537-V541 PolarHBondContact O-N 2.92Å
538	F	92.8	Very high	86.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.9	-29	175	-54.4	-32.6	0	0	0	113	Y493 L499 L501 P517 I518 F521 P534 P535 D536 I542	Y493-F538 HydrophobicContact CE2-CE2 4.16Å; L499-F538 HydrophobicContact CD2-CD2 4.09Å; L499-F538 HydrophobicContact CD2-CE2 3.9Å; L501-F538 HydrophobicContact CD1-CB 4.01Å; L501-F538 HydrophobicContact CD1-CD2 4.37Å; L501-F538 HydrophobicContact CD1-CG 4.18Å; P517-F538 HydrophobicContact CB-CE1 4.06Å; P517-F538 HydrophobicContact CB-CE2 4.01Å; P517-F538 HydrophobicContact CB-CZ 3.6Å; P517-F538 HydrophobicContact CG-CE2 3.95Å; P517-F538 HydrophobicContact CG-CZ 3.64Å; I518-F538 HydrophobicContact CG1-CE1 4.13Å; I518-F538 HydrophobicContact CG1-CZ 3.86Å; F521-F538 AromaticContact CD2-CD1 3.44Å; F521-F538 HydrophobicContact CD2-CD1 3.44Å; F521-F538 VanDerWaalsContact CD2-CD1 3.44Å; F521-F538 AromaticContact CD2-CE1 3.68Å; F521-F538 HydrophobicContact CD2-CE1 3.68Å; F521-F538 HydrophobicContact CD2-CG 4.4Å; F521-F538 HydrophobicContact CE2-CB 4.32Å; F521-F538 AromaticContact CE2-CD1 3.46Å; F521-F538 HydrophobicContact CE2-CD1 3.46Å; F521-F538 VanDerWaalsContact CE2-CD1 3.46Å; F521-F538 HydrophobicContact CE2-CE1 4.02Å; F521-F538 AromaticContact CE2-CG 3.99Å; F521-F538 HydrophobicContact CE2-CG 3.99Å; F521-F538 HydrophobicContact CG-CD1 4.49Å; P534-F538 HydrophobicContact CB-CE2 4.2Å; P534-F538 HydrophobicContact CB-CZ 3.89Å; P534-F538 VanDerWaalsContact O-CD1 3.31Å; P534-F538 WeakPolarHBondContact O-CD1 3.31Å; P534-F538 WeakPolarHBondContact O-CD2 3.47Å; P534-F538 WeakPolarHBondContact O-CE2 3.47Å; P534-F538 WeakPolarHBondContact O-CG 3.28Å; P534-F538 PolarHBondContact O-N 3.36Å; P535-F538 PolarHBondContact O-N 2.69Å; D536-F538 PolarHBondContact O-N 3.32Å; D536-F538 VanDerWaalsContact O-N 3.12Å; F538-I542 VanDerWaalsContact O-CD1 3.26Å; F538-I542 WeakPolarHBondContact O-CD1 2.94Å; F538-I542 WeakPolarHBondContact O-CG1 3.44Å; F538-I542 PolarHBondContact O-N 2.9Å
539	M	91	Very high	85.8	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-75.8	-44.3	173	-61.2	-67.7	-60	0	0	111	M322 P324 Q487 P535 D536 F537 V541 I542 H543	M322-M539 HydrophobicContact CE-CG 3.48Å; M322-M539 VanDerWaalsContact CE-CG 3.48Å; M322-M539 HydrophobicContact CE-SD 3.66Å; M322-M539 HydrophobicContact CG-SD 4.38Å; P324-M539 HydrophobicContact CB-CE 4.46Å; P324-M539 HydrophobicContact CG-CE 4.16Å; Q487-M539 HydrophobicContact CG-CG 4.29Å; P535-M539 WeakPolarHBondContact O-CG 3.46Å; P535-M539 PolarHBondContact O-N 2.86Å; D536-M539 CarbonylContact O-C 3.51Å; D536-M539 VanDerWaalsContact O-CA 3.32Å; D536-M539 WeakPolarHBondContact O-CA 3.29Å; D536-M539 VanDerWaalsContact O-CB 3.28Å; D536-M539 WeakPolarHBondContact O-CB 3.48Å; D536-M539 PolarHBondContact O-N 3.32Å; F537-M539 VanDerWaalsContact C-N 3.29Å; F537-M539 PolarHBondContact O-N 3.05Å; M539-V541 VanDerWaalsContact C-N 3.3Å; M539-V541 PolarHBondContact O-N 3.15Å; M539-I542 CarbonylContact O-C 3.45Å; M539-I542 WeakPolarHBondContact O-CA 3.21Å; M539-I542 PolarHBondContact O-N 3.39Å; M539-H543 VanDerWaalsContact O-CG 3.26Å; M539-H543 PolarHBondContact O-N 3.23Å
540	D	90.2	Very high	84.4	Confident	35 Å²	35	51.7 Å²	51.7	19%	0.187	26%	0.26	C	S	.	.	H	α-helix	trans	-61.6	-39.3	-179.2	-49	-23	0	0	0	111	D536 F537 H543 G544 E545 C546	D536-D540 PolarHBondContact O-N 3.17Å; D536-D540 VanDerWaalsContact O-OD1 3.08Å; F537-D540 WeakPolarHBondContact CA-OD2 3.42Å; F537-D540 PolarHBondContact N-OD2 3.27Å; F537-D540 PolarHBondContact O-N 2.89Å; D540-H543 PolarHBondContact O-N 2.93Å; D540-G544 PolarHBondContact O-N 3.06Å; D540-E545 HydrophobicContact CB-CB 4.42Å; D540-E545 PolarHBondContact O-N 3.16Å; D540-C546 PolarHBondContact O-N 3.03Å
541	V	90.2	Very high	83.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.3	-44.4	168.9	167.6	0	0	0	0	111.7	F521 Y526 F537 M539 H543 G544 C546 V571 L575	F521-V541 HydrophobicContact CD1-CG1 3.89Å; F521-V541 HydrophobicContact CE1-CG1 3.81Å; Y526-V541 HydrophobicContact CD1-CB 4.49Å; Y526-V541 HydrophobicContact CD1-CG1 3.98Å; Y526-V541 HydrophobicContact CD1-CG2 3.82Å; Y526-V541 HydrophobicContact CD2-CG1 4.15Å; Y526-V541 HydrophobicContact CE1-CG1 3.86Å; Y526-V541 HydrophobicContact CE1-CG2 4.4Å; Y526-V541 HydrophobicContact CE2-CG1 4.06Å; Y526-V541 HydrophobicContact CG-CG1 4.11Å; Y526-V541 HydrophobicContact CG-CG2 4.02Å; F537-V541 HydrophobicContact CD2-CG2 4.06Å; F537-V541 HydrophobicContact CE1-CG2 4.41Å; F537-V541 HydrophobicContact CE2-CG2 3.65Å; F537-V541 HydrophobicContact CZ-CG2 3.85Å; F537-V541 WeakPolarHBondContact O-CB 3.49Å; F537-V541 VanDerWaalsContact O-CG2 3.27Å; F537-V541 WeakPolarHBondContact O-CG2 3.4Å; F537-V541 PolarHBondContact O-N 2.92Å; M539-V541 VanDerWaalsContact C-N 3.3Å; M539-V541 PolarHBondContact O-N 3.15Å; V541-H543 VanDerWaalsContact C-N 3.31Å; V541-H543 PolarHBondContact O-N 2.77Å; V541-G544 PolarHBondContact O-N 3.41Å; V541-G544 VanDerWaalsContact O-N 3.14Å; V541-C546 HydrophobicContact CG2-CB 3.72Å; V541-V571 VanDerWaalsContact O-CG1 3.3Å; V541-V571 WeakPolarHBondContact O-CG1 3.48Å; V541-L575 HydrophobicContact CG1-CD1 3.87Å; V541-L575 HydrophobicContact CG1-CD2 4.39Å
542	I	88.9	Confident	81.5	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-70.3	-26	179.3	-71.3	170	0	0	0	112.5	P324 Y503 I508 F538 M539 G544 L575	P324-I542 HydrophobicContact CG-CG2 3.58Å; Y503-I542 HydrophobicContact CD2-CG2 3.46Å; Y503-I542 VanDerWaalsContact CD2-CG2 3.46Å; Y503-I542 HydrophobicContact CE2-CG2 3.99Å; Y503-I542 HydrophobicContact CG-CG2 4.39Å; I508-I542 HydrophobicContact CD1-CD1 4.08Å; I508-I542 HydrophobicContact CD1-CG1 3.89Å; F538-I542 VanDerWaalsContact O-CD1 3.26Å; F538-I542 WeakPolarHBondContact O-CD1 2.94Å; F538-I542 WeakPolarHBondContact O-CG1 3.44Å; F538-I542 PolarHBondContact O-N 2.9Å; M539-I542 CarbonylContact O-C 3.45Å; M539-I542 WeakPolarHBondContact O-CA 3.21Å; M539-I542 PolarHBondContact O-N 3.39Å; I542-G544 VanDerWaalsContact C-N 3.33Å; I542-L575 HydrophobicContact CG1-CD1 4.14Å
543	H	86.4	Confident	79.8	Confident	41 Å²	41	48 Å²	48	19%	0.19	26%	0.262	C	S	.	.	H	α-helix	trans	-80.2	-13.4	172.4	-62.3	164.5	0	0	0	113	M539 D540 V541 E545	M539-H543 VanDerWaalsContact O-CG 3.26Å; M539-H543 PolarHBondContact O-N 3.23Å; D540-H543 PolarHBondContact O-N 2.93Å; V541-H543 VanDerWaalsContact C-N 3.31Å; V541-H543 PolarHBondContact O-N 2.77Å; H543-E545 HydrophobicContact CB-CG 4.08Å; H543-E545 IonicContact CG-OE1 2.73Å; H543-E545 IonicContact ND1-OE1 3.39Å
544	G	82	Confident	77.8	Confident	2 Å²	2	50.7 Å²	50.7	2%	0.021	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	25.5	-175.8	0	0	0	0	0	113.7	D540 V541 I542 R567	D540-G544 PolarHBondContact O-N 3.06Å; V541-G544 PolarHBondContact O-N 3.41Å; V541-G544 VanDerWaalsContact O-N 3.14Å; I542-G544 VanDerWaalsContact C-N 3.33Å; G544-R567 PolarHBondContact O-NH2 3.01Å
545	E	80.9	Confident	76	Confident	123 Å²	123	50.8 Å²	50.8	58%	0.575	28%	0.281	S	S	*	.			trans	-82	-40.5	174	-64.4	179.6	-139.6	0	0	110.7	D540 H543	D540-E545 HydrophobicContact CB-CB 4.42Å; D540-E545 PolarHBondContact O-N 3.16Å; H543-E545 HydrophobicContact CB-CG 4.08Å; H543-E545 IonicContact CG-OE1 2.73Å; H543-E545 IonicContact ND1-OE1 3.39Å
546	C	79.5	Confident	74	Confident	33 Å²	33	55.4 Å²	55.4	22%	0.223	31%	0.309	C	S	.	.	S	Bend	trans	-81.5	124.5	169.3	-58.9	0	0	0	0	111.1	Y526 D540 V541	Y526-C546 HydrophobicContact CD1-CB 4.36Å; Y526-C546 WeakPolarHBondContact CE1-O 3.43Å; D540-C546 PolarHBondContact O-N 3.03Å; V541-C546 HydrophobicContact CG2-CB 3.72Å
547	L	72	Confident	71.9	Confident	78 Å²	78	61.8 Å²	61.8	41%	0.408	34%	0.337	S	S	.	.			trans	-88.8	149.3	173.2	-57.4	177.8	0	0	0	111.7	Q549 D555 V559	L547-Q549 PolarHBondContact O-N 2.77Å; L547-D555 HydrophobicContact CD2-CB 4.15Å; L547-V559 HydrophobicContact CD1-CG2 4.22Å; L547-V559 HydrophobicContact CD2-CG2 4.47Å
548	R	75.5	Confident	70.2	Confident	33 Å²	33	62.1 Å²	62.1	13%	0.125	34%	0.339	C	S	.	.			trans	-69	113.9	173.9	-61.5	173	98.9	139.2	6.6	109.5	L524 Y526 D555 D578	L524-R548 PolarHBondContact O-NE 2.73Å; L524-R548 PolarHBondContact O-NH2 3.33Å; Y526-R548 HydrophobicContact CD1-CG 3.98Å; Y526-R548 HydrophobicContact CD2-CG 4.29Å; Y526-R548 HydrophobicContact CE1-CG 3.4Å; Y526-R548 VanDerWaalsContact CE1-CG 3.4Å; Y526-R548 HydrophobicContact CE2-CG 3.76Å; Y526-R548 HydrophobicContact CG-CG 4.4Å; R548-D555 VanDerWaalsContact CB-OD2 3.27Å; R548-D555 WeakPolarHBondContact CB-OD2 3.32Å; R548-D555 WeakPolarHBondContact CD-OD1 3.44Å; R548-D555 WeakPolarHBondContact CG-OD2 3.45Å; R548-D555 PolarHBondContact N-OD2 3.43Å; R548-D578 IonicContact CZ-OD2 3.71Å; R548-D578 VanDerWaalsContact CZ-OD2 3.27Å; R548-D578 IonicContact NH1-OD2 3.77Å; R548-D578 PolarHBondContact NH1-OD2 2.87Å; R548-D578 IonicContact NH2-OD1 3.2Å; R548-D578 IonicContact NH2-OD2 3.55Å; R548-D578 PolarHBondContact NH2-OD2 2.66Å
549	Q	68.2	Low	68.4	Low	130 Å²	130	65.4 Å²	65.4	61%	0.607	36%	0.359	S	S	*	.	S	Bend	trans	-81.5	-25.2	-176.4	-65.1	-176.7	0.4	0	0	113.1	G525 V527 L547	G525-Q549 PolarHBondContact O-N 2.97Å; V527-Q549 VanDerWaalsContact CG2-OE1 3.32Å; L547-Q549 PolarHBondContact O-N 2.77Å
550	N	56.6	Low	66.5	Low	127 Å²	127	72 Å²	72	68%	0.679	39%	0.394	S	S	*	.	S	Bend	trans	-140.7	116.3	177.8	-75.3	-71.5	0	0	0	110.4	G525	G525-N550 VanDerWaalsContact CA-O 3.27Å; G525-N550 WeakPolarHBondContact CA-O 3.45Å
551	G	54.6	Low	64.8	Low	46 Å²	46	73.3 Å²	73.3	47%	0.474	40%	0.399	S	S	.	.	S	Bend	trans	-176	156.7	176.1	0	0	0	0	0	111.5	T553	G551-T553 PolarHBondContact O-N 3.33Å
552	N	51	Low	63.2	Low	179 Å²	179	82.6 Å²	82.6	96%	0.957	44%	0.442	S	S	*	.	S	Bend	trans	-65.8	-17.5	-177.5	-71	-4	0	0	0	113.6
553	T	52.5	Low	62.2	Low	101 Å²	101	84.9 Å²	84.9	62%	0.62	45%	0.454	S	S	*	.	S	Bend	trans	-122.1	101.8	166.1	50	0	0	0	0	107.6	G551	G551-T553 PolarHBondContact O-N 3.33Å
554	P	51.5	Low	61.6	Low	80 Å²	80	87.4 Å²	87.4	52%	0.519	47%	0.473	S	S	.	.			trans	-68.5	146.1	169	30.6	-34.5	0	0	0	109.1	V556	P554-V556 HydrophobicContact CB-CG2 4.17Å; P554-V556 HydrophobicContact CG-CG2 4.15Å; P554-V556 PolarHBondContact O-N 2.91Å
555	D	54.2	Low	61.3	Low	11 Å²	11	92.8 Å²	92.8	6%	0.059	50%	0.497	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	17.9	-171.7	-62.1	-30.9	0	0	0	115.1	L547 R548 Q557 I558 V559	L547-D555 HydrophobicContact CD2-CB 4.15Å; R548-D555 VanDerWaalsContact CB-OD2 3.27Å; R548-D555 WeakPolarHBondContact CB-OD2 3.32Å; R548-D555 WeakPolarHBondContact CD-OD1 3.44Å; R548-D555 WeakPolarHBondContact CG-OD2 3.45Å; R548-D555 PolarHBondContact N-OD2 3.43Å; D555-Q557 PolarHBondContact O-N 2.6Å; D555-Q557 VanDerWaalsContact O-N 3.14Å; D555-I558 HydrophobicContact CB-CB 4.39Å; D555-I558 HydrophobicContact CB-CD1 4.06Å; D555-I558 HydrophobicContact CB-CG1 4.34Å; D555-I558 WeakPolarHBondContact O-CA 3.34Å; D555-I558 WeakPolarHBondContact O-CB 3.3Å; D555-I558 PolarHBondContact O-N 3.43Å; D555-V559 PolarHBondContact O-N 2.98Å
556	V	50.1	Low	61.1	Low	98 Å²	98	90.4 Å²	90.4	59%	0.594	49%	0.486	S	S	*	.	H	α-helix	trans	-53.1	-36.9	-178.9	-179.3	0	0	0	0	111.7	P554 I558 V559	P554-V556 HydrophobicContact CB-CG2 4.17Å; P554-V556 HydrophobicContact CG-CG2 4.15Å; P554-V556 PolarHBondContact O-N 2.91Å; V556-I558 PolarHBondContact O-N 3.46Å; V556-V559 PolarHBondContact O-N 2.82Å
557	Q	49.8	Very low	61	Low	175 Å²	175	91.5 Å²	91.5	82%	0.818	49%	0.485	S	S	*	.	H	α-helix	trans	-70.5	-14.1	176.3	-64.9	-177.1	-1.6	0	0	114.3	D555	D555-Q557 PolarHBondContact O-N 2.6Å; D555-Q557 VanDerWaalsContact O-N 3.14Å
558	I	56.2	Low	61.4	Low	11 Å²	11	90 Å²	90	6%	0.056	48%	0.477	C	S	.	.	H	α-helix	trans	-92.9	-21.4	177.7	-50.4	-179.9	0	0	0	110.6	D555 V556 D560 H561 R567 V571	D555-I558 HydrophobicContact CB-CB 4.39Å; D555-I558 HydrophobicContact CB-CD1 4.06Å; D555-I558 HydrophobicContact CB-CG1 4.34Å; D555-I558 WeakPolarHBondContact O-CA 3.34Å; D555-I558 WeakPolarHBondContact O-CB 3.3Å; D555-I558 PolarHBondContact O-N 3.43Å; V556-I558 PolarHBondContact O-N 3.46Å; I558-D560 PolarHBondContact O-N 3.43Å; I558-H561 PolarHBondContact O-N 2.88Å; I558-R567 HydrophobicContact CG2-CB 4.24Å; I558-R567 HydrophobicContact CG2-CG 3.92Å; I558-R567 WeakPolarHBondContact O-CD 3.31Å; I558-R567 WeakPolarHBondContact O-CG 3.45Å; I558-V571 HydrophobicContact CD1-CG2 4.03Å; I558-V571 HydrophobicContact CG2-CG2 4.23Å
559	V	54.4	Low	61.8	Low	69 Å²	69	91 Å²	91	42%	0.418	48%	0.483	S	S	.	.	H	α-helix	trans	-68.8	-32.8	-176.4	177.9	0	0	0	0	112.6	L547 D555 V556 H561	L547-V559 HydrophobicContact CD1-CG2 4.22Å; L547-V559 HydrophobicContact CD2-CG2 4.47Å; D555-V559 PolarHBondContact O-N 2.98Å; V556-V559 PolarHBondContact O-N 2.82Å; V559-H561 PolarHBondContact O-N 3.19Å
560	D	51.8	Low	62.6	Low	139 Å²	139	87.3 Å²	87.3	74%	0.743	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-13.6	-178.6	-71.4	-22.6	0	0	0	114.1	I558 H562	I558-D560 PolarHBondContact O-N 3.43Å; D560-H562 PolarHBondContact O-N 2.89Å
561	H	55.4	Low	64	Low	64 Å²	64	81.5 Å²	81.5	30%	0.296	44%	0.436	S	S	.	.			trans	-81	106.4	176.6	-76.7	-84.5	0	0	0	111.7	I558 V559 D563 E566 R567	I558-H561 PolarHBondContact O-N 2.88Å; V559-H561 PolarHBondContact O-N 3.19Å; H561-D563 VanDerWaalsContact C-N 3.28Å; H561-D563 PolarHBondContact O-N 2.78Å; H561-E566 VanDerWaalsContact CE1-CD 3.5Å; H561-E566 IonicContact CE1-OE1 3.66Å; H561-E566 IonicContact CE1-OE2 3.38Å; H561-E566 PolarHBondContact CE1-OE2 3.29Å; H561-E566 IonicContact CG-OE2 3.64Å; H561-E566 IonicContact ND1-OE1 2.7Å; H561-E566 IonicContact ND1-OE2 2.69Å; H561-E566 PolarHBondContact ND1-OE2 3.43Å; H561-R567 HydrophobicContact CB-CG 3.88Å; H561-R567 WeakPolarHBondContact O-CD 3.27Å
562	H	55.8	Low	65.5	Low	195 Å²	195	79.3 Å²	79.3	90%	0.903	41%	0.414	S	S	*	.			trans	-68.3	-17.5	178.7	-103.4	-63.1	0	0	0	114.9	D560	D560-H562 PolarHBondContact O-N 2.89Å
563	D	68.1	Low	67.2	Low	48 Å²	48	75.5 Å²	75.5	26%	0.257	39%	0.39	S	S	.	.			trans	-89.2	115.9	174.8	-176.7	7.4	0	0	0	111.6	Q90 H561 Q565 E566 R567	Q90-D563 PolarHBondContact NE2-OD2 2.73Å; H561-D563 VanDerWaalsContact C-N 3.28Å; H561-D563 PolarHBondContact O-N 2.78Å; D563-Q565 PolarHBondContact O-N 2.86Å; D563-Q565 WeakPolarHBondContact OD1-CB 3.45Å; D563-Q565 PolarHBondContact OD1-N 3.39Å; D563-E566 HydrophobicContact CB-CB 4.26Å; D563-E566 PolarHBondContact O-N 3.22Å; D563-E566 VanDerWaalsContact O-N 3.11Å; D563-R567 PolarHBondContact O-N 3.5Å
564	T	74	Confident	68.9	Low	93 Å²	93	73.4 Å²	73.4	57%	0.571	37%	0.373	S	S	*	.	H	α-helix	trans	-52.9	-34.4	172.5	-44.6	0	0	0	0	112.6	M568	T564-M568 WeakPolarHBondContact O-CB 3.41Å; T564-M568 PolarHBondContact O-N 3.4Å
565	Q	74.9	Confident	70.8	Confident	116 Å²	116	69.6 Å²	69.6	54%	0.542	35%	0.349	S	S	.	.	H	α-helix	trans	-71	-31.7	-179.6	-58.9	-168.5	9.3	0	0	113.1	D563 H569	D563-Q565 PolarHBondContact O-N 2.86Å; D563-Q565 WeakPolarHBondContact OD1-CB 3.45Å; D563-Q565 PolarHBondContact OD1-N 3.39Å; Q565-H569 WeakPolarHBondContact O-CB 3.13Å; Q565-H569 PolarHBondContact O-N 2.94Å; Q565-H569 VanDerWaalsContact O-N 3.1Å
566	E	77.4	Confident	72.5	Confident	72 Å²	72	69.5 Å²	69.5	34%	0.336	35%	0.348	S	S	.	.	H	α-helix	trans	-74.9	-44.3	176.7	-173	163.3	-142.7	0	0	110.5	H561 D563 M568 H569 L570	H561-E566 VanDerWaalsContact CE1-CD 3.5Å; H561-E566 IonicContact CE1-OE1 3.66Å; H561-E566 IonicContact CE1-OE2 3.38Å; H561-E566 PolarHBondContact CE1-OE2 3.29Å; H561-E566 IonicContact CG-OE2 3.64Å; H561-E566 IonicContact ND1-OE1 2.7Å; H561-E566 IonicContact ND1-OE2 2.69Å; H561-E566 PolarHBondContact ND1-OE2 3.43Å; D563-E566 HydrophobicContact CB-CB 4.26Å; D563-E566 PolarHBondContact O-N 3.22Å; D563-E566 VanDerWaalsContact O-N 3.11Å; E566-M568 PolarHBondContact O-N 2.79Å; E566-H569 WeakPolarHBondContact O-CA 3.44Å; E566-H569 VanDerWaalsContact O-CB 3.31Å; E566-H569 WeakPolarHBondContact O-CB 3.39Å; E566-H569 PolarHBondContact O-N 3.01Å; E566-L570 HydrophobicContact CG-CD1 4.37Å; E566-L570 WeakPolarHBondContact O-CG 3.41Å; E566-L570 PolarHBondContact O-N 3.44Å
567	R	77.6	Confident	74.4	Confident	56 Å²	56	70.9 Å²	70.9	21%	0.211	35%	0.348	C	S	.	.	H	α-helix	trans	-57.5	-49.1	171.6	-71.2	-178.5	45.8	170.6	-6.7	112.3	G544 I558 H561 D563 H569 L570 V571	G544-R567 PolarHBondContact O-NH2 3.01Å; I558-R567 HydrophobicContact CG2-CB 4.24Å; I558-R567 HydrophobicContact CG2-CG 3.92Å; I558-R567 WeakPolarHBondContact O-CD 3.31Å; I558-R567 WeakPolarHBondContact O-CG 3.45Å; H561-R567 HydrophobicContact CB-CG 3.88Å; H561-R567 WeakPolarHBondContact O-CD 3.27Å; D563-R567 PolarHBondContact O-N 3.5Å; R567-H569 PolarHBondContact O-N 3.45Å; R567-L570 PolarHBondContact O-N 3.37Å; R567-V571 WeakPolarHBondContact O-CG2 3.21Å; R567-V571 PolarHBondContact O-N 3.5Å
568	M	80.8	Confident	76.4	Confident	46 Å²	46	64.4 Å²	64.4	23%	0.227	32%	0.319	C	S	.	.	H	α-helix	trans	-58	-27.4	173.1	176.9	-178.9	179.8	0	0	112.4	P324 Y503 T564 E566 G572	P324-M568 HydrophobicContact CB-CE 3.89Å; P324-M568 HydrophobicContact CG-CE 3.84Å; Y503-M568 HydrophobicContact CE2-CE 3.84Å; Y503-M568 HydrophobicContact CE2-CG 4.1Å; Y503-M568 VanDerWaalsContact CZ-O 3.29Å; Y503-M568 PolarHBondContact OH-O 2.79Å; T564-M568 WeakPolarHBondContact O-CB 3.41Å; T564-M568 PolarHBondContact O-N 3.4Å; E566-M568 PolarHBondContact O-N 2.79Å; M568-G572 PolarHBondContact O-N 3.22Å
569	H	83.6	Confident	78.1	Confident	54 Å²	54	64.7 Å²	64.7	25%	0.25	32%	0.319	C	S	.	.	H	α-helix	trans	-76.6	-51	175.4	-171.8	-131.7	0	0	0	112.4	Y503 R504 Q565 E566 R567 G572 Q573	Y503-H569 WeakPolarHBondContact OH-CA 3.49Å; R504-H569 PolarHBondContact NH1-CD2 3.31Å; R504-H569 PolarHBondContact NH1-NE2 2.91Å; Q565-H569 WeakPolarHBondContact O-CB 3.13Å; Q565-H569 PolarHBondContact O-N 2.94Å; Q565-H569 VanDerWaalsContact O-N 3.1Å; E566-H569 WeakPolarHBondContact O-CA 3.44Å; E566-H569 VanDerWaalsContact O-CB 3.31Å; E566-H569 WeakPolarHBondContact O-CB 3.39Å; E566-H569 PolarHBondContact O-N 3.01Å; R567-H569 PolarHBondContact O-N 3.45Å; H569-G572 PolarHBondContact O-N 3.39Å; H569-Q573 VanDerWaalsContact CE1-CD 3.48Å; H569-Q573 PolarHBondContact CE1-NE2 3.02Å; H569-Q573 PolarHBondContact NE2-NE2 3.5Å; H569-Q573 WeakPolarHBondContact O-CG 3.28Å; H569-Q573 PolarHBondContact O-N 3.48Å
570	L	84.1	Confident	79.8	Confident	53 Å²	53	67.1 Å²	67.1	28%	0.277	33%	0.326	S	S	.	.	H	α-helix	trans	-61.5	-49	-178.3	-65.8	170.8	0	0	0	111.4	E566 R567 G572 Q573 Q574	E566-L570 HydrophobicContact CG-CD1 4.37Å; E566-L570 WeakPolarHBondContact O-CG 3.41Å; E566-L570 PolarHBondContact O-N 3.44Å; R567-L570 PolarHBondContact O-N 3.37Å; L570-G572 PolarHBondContact O-N 2.96Å; L570-Q573 PolarHBondContact O-N 3.01Å; L570-Q574 WeakPolarHBondContact O-CG 3.3Å; L570-Q574 PolarHBondContact O-N 3.31Å
571	V	85.6	Confident	81.7	Confident	5 Å²	5	64.9 Å²	64.9	3%	0.03	32%	0.317	C	S	.	.	H	α-helix	trans	-63.4	-42.3	177	177.5	0	0	0	0	110.9	V541 I558 R567 Q573 Q574 L575	V541-V571 VanDerWaalsContact O-CG1 3.3Å; V541-V571 WeakPolarHBondContact O-CG1 3.48Å; I558-V571 HydrophobicContact CD1-CG2 4.03Å; I558-V571 HydrophobicContact CG2-CG2 4.23Å; R567-V571 WeakPolarHBondContact O-CG2 3.21Å; R567-V571 PolarHBondContact O-N 3.5Å; V571-Q573 PolarHBondContact O-N 3.38Å; V571-Q574 PolarHBondContact O-N 3.35Å; V571-L575 HydrophobicContact CG1-CD1 3.96Å; V571-L575 HydrophobicContact CG1-CG 4.35Å; V571-L575 VanDerWaalsContact O-CG 3.28Å; V571-L575 WeakPolarHBondContact O-CG 3.46Å; V571-L575 PolarHBondContact O-N 3.17Å
572	G	86	Confident	83.4	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-58.1	-45	175.2	0	0	0	0	0	113.1	M568 H569 L570 L575 I576	M568-G572 PolarHBondContact O-N 3.22Å; H569-G572 PolarHBondContact O-N 3.39Å; L570-G572 PolarHBondContact O-N 2.96Å; G572-L575 PolarHBondContact O-N 2.8Å; G572-I576 WeakPolarHBondContact O-CD1 3.28Å; G572-I576 WeakPolarHBondContact O-CG1 3.29Å; G572-I576 PolarHBondContact O-N 2.97Å
573	Q	87.1	Confident	85.1	Confident	100 Å²	100	59.9 Å²	59.9	47%	0.467	30%	0.297	S	S	.	.	H	α-helix	trans	-65	-42.6	177	-74.2	-172.5	-45.7	0	0	112.6	H569 L570 V571 L575 I576 Q577	H569-Q573 VanDerWaalsContact CE1-CD 3.48Å; H569-Q573 PolarHBondContact CE1-NE2 3.02Å; H569-Q573 PolarHBondContact NE2-NE2 3.5Å; H569-Q573 WeakPolarHBondContact O-CG 3.28Å; H569-Q573 PolarHBondContact O-N 3.48Å; L570-Q573 PolarHBondContact O-N 3.01Å; V571-Q573 PolarHBondContact O-N 3.38Å; Q573-L575 PolarHBondContact O-N 3.48Å; Q573-I576 PolarHBondContact O-N 3.01Å; Q573-Q577 PolarHBondContact O-N 3.48Å; Q573-Q577 VanDerWaalsContact O-N 3.16Å
574	Q	88.6	Confident	86.1	Confident	57 Å²	57	60.2 Å²	60.2	27%	0.266	30%	0.297	S	S	.	.	H	α-helix	trans	-58.6	-46.5	174.1	-71.3	-178.5	6.2	0	0	111.6	L570 V571 I576 Q577 D578	L570-Q574 WeakPolarHBondContact O-CG 3.3Å; L570-Q574 PolarHBondContact O-N 3.31Å; V571-Q574 PolarHBondContact O-N 3.35Å; Q574-I576 PolarHBondContact O-N 3.35Å; Q574-Q577 PolarHBondContact O-N 2.98Å; Q574-Q577 VanDerWaalsContact O-N 3.08Å; Q574-D578 WeakPolarHBondContact O-CB 3.31Å; Q574-D578 VanDerWaalsContact O-CG 3.32Å; Q574-D578 PolarHBondContact O-N 2.91Å
575	L	90.5	Very high	86.8	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-26.8	-179.9	-71.6	173	0	0	0	113.6	I508 F521 L524 Y526 V541 I542 V571 G572 Q573 W579	I508-L575 HydrophobicContact CD1-CB 3.73Å; I508-L575 HydrophobicContact CD1-CD1 4.09Å; I508-L575 HydrophobicContact CG1-CB 3.89Å; I508-L575 HydrophobicContact CG2-CB 4.01Å; F521-L575 HydrophobicContact CD1-CD2 4.41Å; F521-L575 HydrophobicContact CE1-CD2 4Å; L524-L575 HydrophobicContact CD1-CD2 3.95Å; Y526-L575 HydrophobicContact CE2-CD2 3.76Å; V541-L575 HydrophobicContact CG1-CD1 3.87Å; V541-L575 HydrophobicContact CG1-CD2 4.39Å; I542-L575 HydrophobicContact CG1-CD1 4.14Å; V571-L575 HydrophobicContact CG1-CD1 3.96Å; V571-L575 HydrophobicContact CG1-CG 4.35Å; V571-L575 VanDerWaalsContact O-CG 3.28Å; V571-L575 WeakPolarHBondContact O-CG 3.46Å; V571-L575 PolarHBondContact O-N 3.17Å; G572-L575 PolarHBondContact O-N 2.8Å; Q573-L575 PolarHBondContact O-N 3.48Å; L575-W579 WeakPolarHBondContact O-CB 3.42Å; L575-W579 PolarHBondContact O-N 2.78Å; L575-W579 VanDerWaalsContact O-N 3.12Å
576	I	90.4	Very high	87.6	Confident	9 Å²	9	56 Å²	56	5%	0.046	27%	0.273	C	S	.	.	H	α-helix	trans	-73.9	-43.1	172.7	-68.1	154.7	0	0	0	110.7	Y503 Q506 I508 G572 Q573 Q574 W579 Q580	Y503-I576 HydrophobicContact CD1-CD1 3.88Å; Q506-I576 HydrophobicContact CB-CD1 3.99Å; Q506-I576 HydrophobicContact CB-CG1 4.1Å; Q506-I576 HydrophobicContact CB-CG2 4.19Å; I508-I576 HydrophobicContact CG1-CG1 3.98Å; G572-I576 WeakPolarHBondContact O-CD1 3.28Å; G572-I576 WeakPolarHBondContact O-CG1 3.29Å; G572-I576 PolarHBondContact O-N 2.97Å; Q573-I576 PolarHBondContact O-N 3.01Å; Q574-I576 PolarHBondContact O-N 3.35Å; I576-W579 PolarHBondContact O-N 2.86Å; I576-Q580 WeakPolarHBondContact O-CG 3.27Å; I576-Q580 PolarHBondContact O-N 3.42Å
577	Q	91.2	Very high	88.3	Confident	127 Å²	127	58.1 Å²	58.1	59%	0.593	28%	0.283	S	S	*	.	H	α-helix	trans	-67.2	-41	176.7	-173.9	175.6	-2.7	0	0	111.8	Q573 Q574 W579 Q580 T581	Q573-Q577 PolarHBondContact O-N 3.48Å; Q573-Q577 VanDerWaalsContact O-N 3.16Å; Q574-Q577 PolarHBondContact O-N 2.98Å; Q574-Q577 VanDerWaalsContact O-N 3.08Å; Q577-W579 VanDerWaalsContact C-N 3.29Å; Q577-W579 PolarHBondContact O-N 3.34Å; Q577-Q580 PolarHBondContact O-N 2.77Å; Q577-T581 WeakPolarHBondContact O-CB 3.48Å; Q577-T581 WeakPolarHBondContact O-CG2 3.37Å; Q577-T581 PolarHBondContact O-N 3.07Å; Q577-T581 PolarHBondContact O-OG1 3.48Å
578	D	91.1	Very high	88.8	Confident	38 Å²	38	56.6 Å²	56.6	20%	0.203	28%	0.28	C	S	.	.	H	α-helix	trans	-60	-38.4	172.6	-74.6	-22	0	0	0	111.2	L524 R548 Q574 T581 S582	L524-D578 HydrophobicContact CD1-CB 4Å; L524-D578 HydrophobicContact CD2-CB 3.82Å; R548-D578 IonicContact CZ-OD2 3.71Å; R548-D578 VanDerWaalsContact CZ-OD2 3.27Å; R548-D578 IonicContact NH1-OD2 3.77Å; R548-D578 PolarHBondContact NH1-OD2 2.87Å; R548-D578 IonicContact NH2-OD1 3.2Å; R548-D578 IonicContact NH2-OD2 3.55Å; R548-D578 PolarHBondContact NH2-OD2 2.66Å; Q574-D578 WeakPolarHBondContact O-CB 3.31Å; Q574-D578 VanDerWaalsContact O-CG 3.32Å; Q574-D578 PolarHBondContact O-N 2.91Å; D578-T581 PolarHBondContact O-OG1 2.9Å; D578-S582 WeakPolarHBondContact O-CB 3.49Å; D578-S582 PolarHBondContact O-N 3.01Å
579	W	92.6	Very high	89.3	Confident	18 Å²	18	58 Å²	58	7%	0.068	29%	0.288	C	S	.	.	H	α-helix	trans	-67.2	-53.5	173.9	177.6	-112.3	0	0	0	111.6	I507 I508 Y509 H510 Y520 L575 I576 Q577 T581 S582 M584 A585	I507-W579 HydrophobicContact CG2-CD2 4.35Å; I507-W579 HydrophobicContact CG2-CG 4.38Å; I507-W579 HydrophobicContact CG2-CZ2 4.35Å; I508-W579 WeakPolarHBondContact O-CB 3.39Å; Y509-W579 HydrophobicContact CD2-CE3 4.4Å; Y509-W579 AromaticContact CD2-CZ3 3.89Å; Y509-W579 HydrophobicContact CD2-CZ3 3.89Å; Y509-W579 HydrophobicContact CE2-CZ3 4.43Å; H510-W579 HydrophobicContact CB-CH2 4.2Å; H510-W579 HydrophobicContact CB-CZ2 3.81Å; H510-W579 VanDerWaalsContact N-CH2 3.3Å; H510-W579 VanDerWaalsContact O-CH2 3.29Å; H510-W579 WeakPolarHBondContact O-CH2 3.35Å; Y520-W579 HydrophobicContact CE1-CE3 4.43Å; Y520-W579 HydrophobicContact CE2-CE3 4.22Å; Y520-W579 AromaticContact CZ-CE3 3.87Å; Y520-W579 VanDerWaalsContact OH-CA 3.23Å; Y520-W579 WeakPolarHBondContact OH-CA 3.48Å; Y520-W579 WeakPolarHBondContact OH-CB 3.48Å; Y520-W579 PolarHBondContact OH-N 3Å; L575-W579 WeakPolarHBondContact O-CB 3.42Å; L575-W579 PolarHBondContact O-N 2.78Å; L575-W579 VanDerWaalsContact O-N 3.12Å; I576-W579 PolarHBondContact O-N 2.86Å; Q577-W579 VanDerWaalsContact C-N 3.29Å; Q577-W579 PolarHBondContact O-N 3.34Å; W579-T581 PolarHBondContact O-N 2.87Å; W579-S582 WeakPolarHBondContact O-CB 3.26Å; W579-S582 PolarHBondContact O-N 3.08Å; W579-S582 PolarHBondContact O-OG 3.18Å; W579-M584 HydrophobicContact CH2-CB 4.07Å; W579-M584 HydrophobicContact CZ3-CB 3.97Å; W579-A585 HydrophobicContact CD2-CB 3.99Å; W579-A585 HydrophobicContact CE3-CB 4.47Å; W579-A585 HydrophobicContact CG-CB 4.4Å; W579-A585 HydrophobicContact CH2-CB 4.29Å; W579-A585 HydrophobicContact CZ2-CB 3.78Å; W579-A585 WeakPolarHBondContact O-CB 3.43Å
580	Q	89.6	Confident	89.7	Confident	119 Å²	119	61.5 Å²	61.5	56%	0.556	31%	0.305	S	S	*	.	H	α-helix	trans	-58	-32.1	-178.2	-74.4	175.1	-10.5	0	0	113.4	I576 Q577	I576-Q580 WeakPolarHBondContact O-CG 3.27Å; I576-Q580 PolarHBondContact O-N 3.42Å; Q577-Q580 PolarHBondContact O-N 2.77Å
581	T	91	Very high	90	Very high	92 Å²	92	60.9 Å²	60.9	56%	0.564	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-8	177.2	52.5	0	0	0	0	114.1	Q577 D578 W579	Q577-T581 WeakPolarHBondContact O-CB 3.48Å; Q577-T581 WeakPolarHBondContact O-CG2 3.37Å; Q577-T581 PolarHBondContact O-N 3.07Å; Q577-T581 PolarHBondContact O-OG1 3.48Å; D578-T581 PolarHBondContact O-OG1 2.9Å; W579-T581 PolarHBondContact O-N 2.87Å
582	S	91.2	Very high	90.1	Very high	19 Å²	19	60.7 Å²	60.7	13%	0.133	30%	0.299	C	S	.	.	S	Bend	trans	-77.9	145.5	-175	75.9	0	0	0	0	114.6	D578 W579 M584 A585 Q586	D578-S582 WeakPolarHBondContact O-CB 3.49Å; D578-S582 PolarHBondContact O-N 3.01Å; W579-S582 WeakPolarHBondContact O-CB 3.26Å; W579-S582 PolarHBondContact O-N 3.08Å; W579-S582 PolarHBondContact O-OG 3.18Å; S582-M584 PolarHBondContact O-N 3.19Å; S582-M584 VanDerWaalsContact O-N 3.13Å; S582-A585 PolarHBondContact O-N 2.96Å; S582-A585 VanDerWaalsContact O-N 3.12Å; S582-A585 PolarHBondContact OG-N 3.02Å; S582-Q586 WeakPolarHBondContact O-CG 3.18Å; S582-Q586 PolarHBondContact O-N 3.25Å; S582-Q586 VanDerWaalsContact O-N 3.1Å
583	E	91.5	Very high	90.2	Very high	135 Å²	135	63 Å²	63	63%	0.631	32%	0.315	S	S	*	.	H	α-helix	trans	-50.6	-35.5	170.8	-54.6	170.8	138.9	0	0	112.4	R523 Q586 H587	R523-E583 IonicContact NH1-OE2 3.27Å; R523-E583 PolarHBondContact NH1-OE2 3.44Å; R523-E583 VanDerWaalsContact NH1-OE2 3.08Å; E583-Q586 PolarHBondContact O-N 2.98Å; E583-H587 WeakPolarHBondContact O-CB 3.24Å; E583-H587 PolarHBondContact O-N 3.36Å
584	M	89.4	Confident	90.3	Very high	55 Å²	55	60.9 Å²	60.9	27%	0.271	31%	0.311	S	S	.	.	H	α-helix	trans	-72.9	-39.3	-178.1	-70.4	-176.6	-68.7	0	0	112.1	Y509 Y520 W579 S582 V588	Y509-M584 HydrophobicContact CE2-CE 4.3Å; Y509-M584 HydrophobicContact CE2-SD 4.41Å; Y520-M584 HydrophobicContact CD2-CE 3.32Å; Y520-M584 HydrophobicContact CE2-CE 4.07Å; Y520-M584 HydrophobicContact CG-CE 3.89Å; W579-M584 HydrophobicContact CH2-CB 4.07Å; W579-M584 HydrophobicContact CZ3-CB 3.97Å; S582-M584 PolarHBondContact O-N 3.19Å; S582-M584 VanDerWaalsContact O-N 3.13Å; M584-V588 WeakPolarHBondContact O-CB 3.47Å; M584-V588 VanDerWaalsContact O-CG2 3.25Å; M584-V588 WeakPolarHBondContact O-CG2 3.44Å; M584-V588 PolarHBondContact O-N 3.13Å
585	A	89.3	Confident	90.2	Very high	14 Å²	14	58.9 Å²	58.9	12%	0.116	30%	0.302	C	S	.	.	H	α-helix	trans	-66.3	-40.2	173.3	0	0	0	0	0	111.3	W579 S582 V588 L589	W579-A585 HydrophobicContact CD2-CB 3.99Å; W579-A585 HydrophobicContact CE3-CB 4.47Å; W579-A585 HydrophobicContact CG-CB 4.4Å; W579-A585 HydrophobicContact CH2-CB 4.29Å; W579-A585 HydrophobicContact CZ2-CB 3.78Å; W579-A585 WeakPolarHBondContact O-CB 3.43Å; S582-A585 PolarHBondContact O-N 2.96Å; S582-A585 VanDerWaalsContact O-N 3.12Å; S582-A585 PolarHBondContact OG-N 3.02Å; A585-V588 PolarHBondContact O-N 3.48Å; A585-L589 WeakPolarHBondContact O-CB 3.18Å; A585-L589 PolarHBondContact O-N 2.86Å
586	Q	91.1	Very high	89.8	Confident	106 Å²	106	59.5 Å²	59.5	50%	0.495	31%	0.308	S	S	.	.	H	α-helix	trans	-60.6	-52.1	175.5	-67.8	174.4	5.8	0	0	111.4	S582 E583 V588 L589 E590	S582-Q586 WeakPolarHBondContact O-CG 3.18Å; S582-Q586 PolarHBondContact O-N 3.25Å; S582-Q586 VanDerWaalsContact O-N 3.1Å; E583-Q586 PolarHBondContact O-N 2.98Å; Q586-V588 VanDerWaalsContact C-N 3.29Å; Q586-V588 PolarHBondContact O-N 3.47Å; Q586-L589 PolarHBondContact O-N 3.26Å; Q586-E590 WeakPolarHBondContact O-CG 3.46Å; Q586-E590 PolarHBondContact O-N 3.21Å
587	H	91.4	Very high	89.5	Confident	118 Å²	118	63.1 Å²	63.1	55%	0.546	33%	0.327	S	S	.	.	H	α-helix	trans	-59.8	-36.9	176.2	-178.7	-62.3	0	0	0	112.5	E583 E591	E583-H587 WeakPolarHBondContact O-CB 3.24Å; E583-H587 PolarHBondContact O-N 3.36Å; H587-E591 PolarHBondContact O-N 3.39Å
588	V	89.8	Confident	89	Confident	23 Å²	23	66.5 Å²	66.5	14%	0.139	34%	0.335	C	S	.	.	H	α-helix	trans	-64.1	-45.2	173.3	167	0	0	0	0	110.6	M584 A585 Q586 E591 V592	M584-V588 WeakPolarHBondContact O-CB 3.47Å; M584-V588 VanDerWaalsContact O-CG2 3.25Å; M584-V588 WeakPolarHBondContact O-CG2 3.44Å; M584-V588 PolarHBondContact O-N 3.13Å; A585-V588 PolarHBondContact O-N 3.48Å; Q586-V588 VanDerWaalsContact C-N 3.29Å; Q586-V588 PolarHBondContact O-N 3.47Å; V588-E591 PolarHBondContact O-N 3.21Å; V588-V592 HydrophobicContact CG1-CG2 4.26Å; V588-V592 WeakPolarHBondContact O-CB 3.47Å; V588-V592 WeakPolarHBondContact O-CG2 3.37Å; V588-V592 PolarHBondContact O-N 3.19Å
589	L	90.3	Very high	88.3	Confident	76 Å²	76	65.2 Å²	65.2	40%	0.398	33%	0.328	S	S	.	.	H	α-helix	trans	-68.1	-34.9	-179.5	-171.4	63.2	0	0	0	112.7	A585 Q586 V592 S593	A585-L589 WeakPolarHBondContact O-CB 3.18Å; A585-L589 PolarHBondContact O-N 2.86Å; Q586-L589 PolarHBondContact O-N 3.26Å; L589-V592 PolarHBondContact O-N 3.07Å; L589-S593 VanDerWaalsContact O-CB 3.29Å; L589-S593 WeakPolarHBondContact O-CB 3.19Å; L589-S593 PolarHBondContact O-N 2.96Å; L589-S593 PolarHBondContact O-OG 3.19Å
590	E	91.3	Very high	87.4	Confident	127 Å²	127	67.9 Å²	67.9	59%	0.593	34%	0.341	S	S	*	.	H	α-helix	trans	-62.4	-47.3	169.7	-74	178.7	178.7	0	0	111.4	Q586 V592 S593 S594	Q586-E590 WeakPolarHBondContact O-CG 3.46Å; Q586-E590 PolarHBondContact O-N 3.21Å; E590-V592 PolarHBondContact O-N 3.21Å; E590-S593 PolarHBondContact O-OG 3.2Å; E590-S593 VanDerWaalsContact O-OG 3.11Å; E590-S594 VanDerWaalsContact O-CB 3.3Å; E590-S594 WeakPolarHBondContact O-CB 3.47Å; E590-S594 PolarHBondContact O-N 3.06Å
591	E	90.3	Very high	86.7	Confident	40 Å²	40	70.1 Å²	70.1	19%	0.187	35%	0.349	C	S	.	.	H	α-helix	trans	-65.8	-39.5	177.6	-164.7	-173.9	157.6	0	0	111.6	K281 I313 R315 H587 V588 S594 I595	K281-E591 WeakPolarHBondContact CE-OE1 3.23Å; K281-E591 IonicContact NZ-OE1 3.22Å; K281-E591 PolarHBondContact NZ-OE1 3.12Å; I313-E591 HydrophobicContact CD1-CB 3.67Å; I313-E591 VanDerWaalsContact CD1-CD 3.41Å; I313-E591 HydrophobicContact CD1-CG 3.46Å; I313-E591 VanDerWaalsContact CD1-CG 3.46Å; R315-E591 IonicContact CZ-OE1 2.73Å; R315-E591 IonicContact CZ-OE2 3.54Å; R315-E591 IonicContact NE-OE1 3.76Å; R315-E591 IonicContact NH2-OE1 3.3Å; R315-E591 PolarHBondContact NH2-OE1 2.9Å; R315-E591 IonicContact NH2-OE2 3.55Å; R315-E591 PolarHBondContact NH2-OE2 3.04Å; H587-E591 PolarHBondContact O-N 3.39Å; V588-E591 PolarHBondContact O-N 3.21Å; E591-S594 PolarHBondContact O-OG 3.06Å; E591-I595 WeakPolarHBondContact O-CD1 3.48Å; E591-I595 WeakPolarHBondContact O-CG1 3.3Å; E591-I595 PolarHBondContact O-N 3.41Å
592	V	88.8	Confident	85.5	Confident	2 Å²	2	72.1 Å²	72.1	1%	0.012	35%	0.347	C	S	.	.	H	α-helix	trans	-60.8	-56.1	174.7	167.6	0	0	0	0	110.3	H285 I313 V588 L589 E590 S594 I595 A596	H285-V592 HydrophobicContact CB-CG1 4.26Å; H285-V592 PolarHBondContact CE1-O 2.58Å; H285-V592 WeakPolarHBondContact ND1-CG1 3.4Å; I313-V592 HydrophobicContact CD1-CG2 3.86Å; I313-V592 HydrophobicContact CG1-CG2 3.52Å; V588-V592 HydrophobicContact CG1-CG2 4.26Å; V588-V592 WeakPolarHBondContact O-CB 3.47Å; V588-V592 WeakPolarHBondContact O-CG2 3.37Å; V588-V592 PolarHBondContact O-N 3.19Å; L589-V592 PolarHBondContact O-N 3.07Å; E590-V592 PolarHBondContact O-N 3.21Å; V592-S594 VanDerWaalsContact C-N 3.29Å; V592-S594 PolarHBondContact O-N 2.73Å; V592-I595 WeakPolarHBondContact O-CB 3.32Å; V592-I595 PolarHBondContact O-N 3.39Å; V592-A596 PolarHBondContact O-N 2.9Å
593	S	88.3	Confident	84.4	Confident	47 Å²	47	76.3 Å²	76.3	33%	0.329	36%	0.364	S	S	.	.	H	α-helix	trans	-63.1	-32.4	-179.6	60.2	0	0	0	0	112.6	L589 E590 I595 A596 N597	L589-S593 VanDerWaalsContact O-CB 3.29Å; L589-S593 WeakPolarHBondContact O-CB 3.19Å; L589-S593 PolarHBondContact O-N 2.96Å; L589-S593 PolarHBondContact O-OG 3.19Å; E590-S593 PolarHBondContact O-OG 3.2Å; E590-S593 VanDerWaalsContact O-OG 3.11Å; S593-I595 PolarHBondContact O-N 3.02Å; S593-A596 PolarHBondContact O-N 2.68Å; S593-N597 VanDerWaalsContact O-CB 3.29Å; S593-N597 WeakPolarHBondContact O-CB 3.15Å; S593-N597 PolarHBondContact O-N 2.66Å; S593-N597 PolarHBondContact O-ND2 3.3Å; S593-N597 VanDerWaalsContact O-ND2 3.1Å
594	S	88.5	Confident	83.1	Confident	56 Å²	56	76.6 Å²	76.6	39%	0.392	37%	0.37	S	S	.	.	H	α-helix	trans	-59.5	-31.8	172.3	84.2	0	0	0	0	113.1	E590 E591 V592 R598	E590-S594 VanDerWaalsContact O-CB 3.3Å; E590-S594 WeakPolarHBondContact O-CB 3.47Å; E590-S594 PolarHBondContact O-N 3.06Å; E591-S594 PolarHBondContact O-OG 3.06Å; V592-S594 VanDerWaalsContact C-N 3.29Å; V592-S594 PolarHBondContact O-N 2.73Å; S594-R598 VanDerWaalsContact O-CG 3.3Å; S594-R598 WeakPolarHBondContact O-CG 3.23Å; S594-R598 PolarHBondContact O-N 2.78Å
595	I	86.1	Confident	81.7	Confident	15 Å²	15	77.2 Å²	77.2	8%	0.077	39%	0.39	C	S	.	.	H	α-helix	trans	-76.4	-44.2	177	-61.1	160.2	0	0	0	110.1	K281 I313 L350 E591 V592 S593 R598 L599	K281-I595 HydrophobicContact CD-CD1 4.39Å; I313-I595 HydrophobicContact CD1-CD1 3.92Å; L350-I595 HydrophobicContact CD1-CG2 4.2Å; E591-I595 WeakPolarHBondContact O-CD1 3.48Å; E591-I595 WeakPolarHBondContact O-CG1 3.3Å; E591-I595 PolarHBondContact O-N 3.41Å; V592-I595 WeakPolarHBondContact O-CB 3.32Å; V592-I595 PolarHBondContact O-N 3.39Å; S593-I595 PolarHBondContact O-N 3.02Å; I595-R598 PolarHBondContact O-N 3.35Å; I595-L599 PolarHBondContact O-N 3.21Å
596	A	82.4	Confident	80	Confident	14 Å²	14	78.4 Å²	78.4	12%	0.116	40%	0.398	C	S	.	.	H	α-helix	trans	-60.8	-46.7	175.6	0	0	0	0	0	112	V592 S593 R598 L599 E600	V592-A596 PolarHBondContact O-N 2.9Å; S593-A596 PolarHBondContact O-N 2.68Å; A596-R598 PolarHBondContact O-N 3.43Å; A596-R598 VanDerWaalsContact O-N 3.15Å; A596-L599 WeakPolarHBondContact O-CB 3.38Å; A596-L599 PolarHBondContact O-N 2.93Å; A596-E600 PolarHBondContact O-N 2.87Å
597	N	84	Confident	77.9	Confident	85 Å²	85	82.8 Å²	82.8	46%	0.455	42%	0.416	S	S	.	.	H	α-helix	trans	-61.1	-24	178	-73.7	-33.1	0	0	0	113.3	S593 K601	S593-N597 VanDerWaalsContact O-CB 3.29Å; S593-N597 WeakPolarHBondContact O-CB 3.15Å; S593-N597 PolarHBondContact O-N 2.66Å; S593-N597 PolarHBondContact O-ND2 3.3Å; S593-N597 VanDerWaalsContact O-ND2 3.1Å; N597-K601 WeakPolarHBondContact O-CD 3.37Å; N597-K601 VanDerWaalsContact O-CG 3.24Å; N597-K601 WeakPolarHBondContact O-CG 3.49Å; N597-K601 PolarHBondContact O-N 2.86Å
598	R	81.6	Confident	75.6	Confident	197 Å²	197	87 Å²	87	74%	0.743	43%	0.432	S	S	*	.	H	α-helix	trans	-78.3	-37.4	172.3	-75.8	172.2	62.6	170.3	0.2	112.4	S594 I595 A596 Y602	S594-R598 VanDerWaalsContact O-CG 3.3Å; S594-R598 WeakPolarHBondContact O-CG 3.23Å; S594-R598 PolarHBondContact O-N 2.78Å; I595-R598 PolarHBondContact O-N 3.35Å; A596-R598 PolarHBondContact O-N 3.43Å; A596-R598 VanDerWaalsContact O-N 3.15Å; R598-Y602 PolarHBondContact O-N 3.43Å
599	L	76.3	Confident	73.4	Confident	12 Å²	12	90.2 Å²	90.2	6%	0.063	46%	0.456	C	S	.	.	H	α-helix	trans	-65.5	-47.2	174.6	173.5	144.4	0	0	0	111.1	L350 G353 I595 A596 K601 Y602 E603	L350-L599 HydrophobicContact CD1-CD1 4.05Å; L350-L599 HydrophobicContact CD2-CD1 3.65Å; L350-L599 HydrophobicContact CG-CD1 4.49Å; G353-L599 WeakPolarHBondContact O-CD1 3.46Å; I595-L599 PolarHBondContact O-N 3.21Å; A596-L599 WeakPolarHBondContact O-CB 3.38Å; A596-L599 PolarHBondContact O-N 2.93Å; L599-K601 VanDerWaalsContact C-N 3.29Å; L599-K601 PolarHBondContact O-N 3.29Å; L599-Y602 WeakPolarHBondContact O-CA 3.33Å; L599-Y602 WeakPolarHBondContact O-CB 3.41Å; L599-Y602 PolarHBondContact O-N 3.42Å; L599-E603 HydrophobicContact CD2-CG 4.21Å; L599-E603 HydrophobicContact CG-CG 4.37Å; L599-E603 PolarHBondContact O-N 3.46Å
600	E	74.4	Confident	71	Confident	74 Å²	74	96 Å²	96	35%	0.346	48%	0.478	S	S	.	.	H	α-helix	trans	-68.6	-29.4	-176.8	-65.5	-176	-178.7	0	0	112.3	K348 A596 Y602 N604	K348-E600 IonicContact NZ-OE1 2.66Å; K348-E600 PolarHBondContact NZ-OE1 2.94Å; A596-E600 PolarHBondContact O-N 2.87Å; E600-Y602 VanDerWaalsContact C-N 3.33Å; E600-N604 VanDerWaalsContact O-CB 3.32Å; E600-N604 WeakPolarHBondContact O-CB 3.41Å; E600-N604 PolarHBondContact O-N 3.04Å; E600-N604 PolarHBondContact O-ND2 3.34Å
601	K	73.2	Confident	68.6	Low	165 Å²	165	96.7 Å²	96.7	72%	0.717	49%	0.486	S	S	*	.	H	α-helix	trans	-66.4	-32.5	168.1	-75	174	-176.2	-179.7	0	112.9	N597 L599 G605	N597-K601 WeakPolarHBondContact O-CD 3.37Å; N597-K601 VanDerWaalsContact O-CG 3.24Å; N597-K601 WeakPolarHBondContact O-CG 3.49Å; N597-K601 PolarHBondContact O-N 2.86Å; L599-K601 VanDerWaalsContact C-N 3.29Å; L599-K601 PolarHBondContact O-N 3.29Å; K601-G605 PolarHBondContact O-N 3.37Å
602	Y	66.8	Low	66	Low	134 Å²	134	103.5 Å²	103.5	53%	0.525	51%	0.514	S	S	.	.	H	α-helix	trans	-76.2	-44.6	177.1	-169.8	-96.9	0	0	0	111.9	R598 L599 E600 G605 S606	R598-Y602 PolarHBondContact O-N 3.43Å; L599-Y602 WeakPolarHBondContact O-CA 3.33Å; L599-Y602 WeakPolarHBondContact O-CB 3.41Å; L599-Y602 PolarHBondContact O-N 3.42Å; E600-Y602 VanDerWaalsContact C-N 3.33Å; Y602-G605 PolarHBondContact O-N 3.07Å; Y602-S606 WeakPolarHBondContact O-CB 3.48Å; Y602-S606 PolarHBondContact O-N 3.29Å
603	E	68.6	Low	63.4	Low	107 Å²	107	106.2 Å²	106.2	50%	0.5	54%	0.538	S	S	.	.	H	α-helix	trans	-66.2	-36.1	178.3	-68.7	-172.7	161.3	0	0	113	L599	L599-E603 HydrophobicContact CD2-CG 4.21Å; L599-E603 HydrophobicContact CG-CG 4.37Å; L599-E603 PolarHBondContact O-N 3.46Å
604	N	63.3	Low	61.1	Low	142 Å²	142	108.7 Å²	108.7	76%	0.759	55%	0.55	S	S	*	*	H	α-helix	trans	-77.9	-25.9	174.5	-72.1	-51.9	0	0	0	113.2	E600	E600-N604 VanDerWaalsContact O-CB 3.32Å; E600-N604 WeakPolarHBondContact O-CB 3.41Å; E600-N604 PolarHBondContact O-N 3.04Å; E600-N604 PolarHBondContact O-ND2 3.34Å
605	G	59.4	Low	59.1	Low	67 Å²	67	112.5 Å²	112.5	69%	0.691	57%	0.566	S	S	*	*	H	α-helix	trans	-84.1	-29.5	-180	0	0	0	0	0	114.4	K601 Y602	K601-G605 PolarHBondContact O-N 3.37Å; Y602-G605 PolarHBondContact O-N 3.07Å
606	S	54.5	Low	57.5	Low	39 Å²	39	116.4 Å²	116.4	27%	0.273	59%	0.586	S	S	.	*	S	Bend	trans	-97.2	122.9	-178.8	-161.2	0	0	0	0	111.1	Y602 K608	Y602-S606 WeakPolarHBondContact O-CB 3.48Å; Y602-S606 PolarHBondContact O-N 3.29Å; S606-K608 PolarHBondContact O-N 2.98Å
607	K	47.5	Very low	56.3	Low	199 Å²	199	119.8 Å²	119.8	87%	0.865	61%	0.609	S	S	*	*			trans	-53.5	131.8	170.4	-78.3	-176.3	175.8	-179.6	0	108.5	S609	K607-S609 VanDerWaalsContact C-N 3.29Å; K607-S609 PolarHBondContact O-N 2.88Å
608	K	42.7	Very low	55.8	Low	205 Å²	205	118.2 Å²	118.2	89%	0.891	60%	0.598	S	S	*	*			trans	-52.6	89.2	177.2	-70.8	-177	178.5	178	0	111.5	S606 K610	S606-K608 PolarHBondContact O-N 2.98Å; K608-K610 PolarHBondContact O-N 2.77Å
609	S	42.7	Very low	55.5	Low	92 Å²	92	110.5 Å²	110.5	64%	0.643	58%	0.576	S	S	*	*			trans	-57.6	127.6	158.4	-165.2	0	0	0	0	105.8	K607 D611	K607-S609 VanDerWaalsContact C-N 3.29Å; K607-S609 PolarHBondContact O-N 2.88Å; S609-D611 PolarHBondContact O-N 2.72Å
610	K	39.5	Very low	55.8	Low	196 Å²	196	110.1 Å²	110.1	85%	0.852	58%	0.575	S	S	*	*			trans	-74.2	82.6	167.9	-74.6	-177.5	179.2	177.5	0	106.3	K608 K612	K608-K610 PolarHBondContact O-N 2.77Å; K610-K612 PolarHBondContact O-N 3.12Å
611	D	41.6	Very low	56.4	Low	142 Å²	142	109.6 Å²	109.6	76%	0.759	58%	0.579	S	S	*	*			trans	-55.3	97.9	160.8	-73.8	0.5	0	0	0	105.5	S609 A613	S609-D611 PolarHBondContact O-N 2.72Å; D611-A613 PolarHBondContact O-N 3.46Å
612	K	36.2	Very low	57.2	Low	183 Å²	183	106 Å²	106	80%	0.796	56%	0.562	S	S	*	*			trans	-49.3	131.6	176.5	-65.1	177.6	-178.9	173.5	0	105.2	K610 V614	K610-K612 PolarHBondContact O-N 3.12Å; K612-V614 VanDerWaalsContact C-N 3.32Å; K612-V614 WeakPolarHBondContact O-CG2 3.35Å; K612-V614 PolarHBondContact O-N 3.33Å
613	A	34.5	Very low	58.3	Low	60 Å²	60	106.8 Å²	106.8	50%	0.496	57%	0.569	S	S	.	*			trans	-55.7	102.6	-178	0	0	0	0	0	108.1	D611 D615	D611-A613 PolarHBondContact O-N 3.46Å; A613-D615 VanDerWaalsContact C-N 3.34Å; A613-D615 PolarHBondContact O-N 2.78Å
614	V	40.1	Very low	59.3	Low	98 Å²	98	104.5 Å²	104.5	59%	0.594	56%	0.555	S	S	*	*			trans	-69.3	102.9	-178.6	-178	0	0	0	0	104.7	K612	K612-V614 VanDerWaalsContact C-N 3.32Å; K612-V614 WeakPolarHBondContact O-CG2 3.35Å; K612-V614 PolarHBondContact O-N 3.33Å
615	D	44.7	Very low	60.7	Low	136 Å²	136	97.8 Å²	97.8	73%	0.727	52%	0.52	S	S	*	.			trans	-56.5	163.9	176.9	-78.6	-47.8	0	0	0	110	N359 A613 S617	N359-D615 PolarHBondContact ND2-O 3.21Å; A613-D615 VanDerWaalsContact C-N 3.34Å; A613-D615 PolarHBondContact O-N 2.78Å; D615-S617 PolarHBondContact O-N 2.93Å
616	I	53.4	Low	62.4	Low	97 Å²	97	96.2 Å²	96.2	50%	0.497	50%	0.495	S	S	.	.			trans	-69.6	87.5	-177.4	-57.9	168.7	0	0	0	108.6	N359 F618	N359-I616 WeakPolarHBondContact OD1-CA 3.29Å; N359-I616 WeakPolarHBondContact OD1-CG1 3.33Å; I616-F618 HydrophobicContact CG2-CE2 4.2Å; I616-F618 HydrophobicContact CG2-CZ 4.39Å; I616-F618 WeakPolarHBondContact O-CD2 3.28Å; I616-F618 WeakPolarHBondContact O-CE2 3.41Å; I616-F618 PolarHBondContact O-N 3.34Å
617	S	58.4	Low	64.3	Low	85 Å²	85	101.4 Å²	101.4	59%	0.594	51%	0.513	S	S	*	.			trans	-75.8	89.5	-178	58.9	0	0	0	0	109.4	D615 A619	D615-S617 PolarHBondContact O-N 2.93Å; S617-A619 PolarHBondContact O-N 3.44Å
618	F	72.8	Confident	66.5	Low	53 Å²	53	95.9 Å²	95.9	23%	0.232	49%	0.488	C	S	.	.			trans	-53.4	129.2	170.8	-65.7	-95.5	0	0	0	109.8	I616 A620 Q625 G712 Y714 Q715	I616-F618 HydrophobicContact CG2-CE2 4.2Å; I616-F618 HydrophobicContact CG2-CZ 4.39Å; I616-F618 WeakPolarHBondContact O-CD2 3.28Å; I616-F618 WeakPolarHBondContact O-CE2 3.41Å; I616-F618 PolarHBondContact O-N 3.34Å; F618-A620 PolarHBondContact O-N 3.42Å; F618-Q625 VanDerWaalsContact CB-NE2 3.27Å; F618-G712 WeakPolarHBondContact CD1-O 3.29Å; F618-Y714 WeakPolarHBondContact CE1-O 3.31Å; F618-Q715 HydrophobicContact CD2-CG 3.79Å; F618-Q715 HydrophobicContact CE1-CG 4.26Å; F618-Q715 HydrophobicContact CE2-CG 3.51Å; F618-Q715 HydrophobicContact CG-CG 4.31Å; F618-Q715 HydrophobicContact CZ-CG 3.77Å
619	A	75.2	Confident	69	Low	34 Å²	34	86.2 Å²	86.2	28%	0.281	45%	0.447	S	S	.	.	S	Bend	trans	-62.7	-28.5	-175.9	0	0	0	0	0	113.2	R390 S617	R390-A619 WeakPolarHBondContact O-CB 3.41Å; S617-A619 PolarHBondContact O-N 3.44Å
620	A	82.5	Confident	71.4	Confident	4 Å²	4	82.8 Å²	82.8	3%	0.033	42%	0.423	C	S	.	.	S	Bend	trans	-96.2	143	172.1	0	0	0	0	0	113.2	L389 M393 F618 R624 Q625	L389-A620 VanDerWaalsContact O-CB 3.28Å; L389-A620 WeakPolarHBondContact O-CB 3.44Å; L389-A620 PolarHBondContact O-N 3.33Å; M393-A620 HydrophobicContact CE-CB 4.42Å; F618-A620 PolarHBondContact O-N 3.42Å; A620-R624 HydrophobicContact CB-CG 4.44Å; A620-Q625 HydrophobicContact CB-CG 3.85Å; A620-Q625 PolarHBondContact O-NE2 2.78Å
621	S	86.8	Confident	74.1	Confident	63 Å²	63	80.6 Å²	80.6	44%	0.441	41%	0.409	S	S	.	.			trans	-69.9	151.6	173.1	63.2	0	0	0	0	111.8	M393 F623 R624 Q625	M393-S621 WeakPolarHBondContact CE-OG 2.95Å; S621-F623 VanDerWaalsContact C-N 3.32Å; S621-F623 PolarHBondContact O-N 3.35Å; S621-R624 WeakPolarHBondContact O-CA 3.36Å; S621-R624 WeakPolarHBondContact O-CB 3.41Å; S621-R624 PolarHBondContact O-N 3.37Å; S621-Q625 WeakPolarHBondContact O-CG 3.28Å; S621-Q625 PolarHBondContact O-N 3.34Å
622	Y	89.4	Confident	76.6	Confident	89 Å²	89	74.5 Å²	74.5	35%	0.349	38%	0.376	S	S	.	.	H	α-helix	trans	-50.2	-46	-174.2	-177.4	-94.6	0	0	0	113.8	R624 Q625 L626 V718 F721	Y622-R624 PolarHBondContact O-N 2.93Å; Y622-Q625 WeakPolarHBondContact O-CB 3.14Å; Y622-Q625 PolarHBondContact O-N 3.19Å; Y622-L626 HydrophobicContact CE1-CD2 4.49Å; Y622-L626 WeakPolarHBondContact O-CB 3.43Å; Y622-L626 PolarHBondContact O-N 2.94Å; Y622-V718 HydrophobicContact CD2-CG2 3.56Å; Y622-V718 HydrophobicContact CE2-CG2 3.37Å; Y622-V718 HydrophobicContact CG-CG2 4.35Å; Y622-F721 WeakPolarHBondContact OH-CD2 3.47Å
623	F	91.1	Very high	79.2	Confident	152 Å²	152	66.8 Å²	66.8	67%	0.667	35%	0.345	S	S	*	.	H	α-helix	trans	-68.7	-33.7	179.4	-171	-103.7	0	0	0	113.2	S621 L626 K627	S621-F623 VanDerWaalsContact C-N 3.32Å; S621-F623 PolarHBondContact O-N 3.35Å; F623-L626 PolarHBondContact O-N 3.01Å; F623-K627 WeakPolarHBondContact O-CB 3.41Å; F623-K627 PolarHBondContact O-N 3.41Å
624	R	89.3	Confident	82	Confident	59 Å²	59	67.5 Å²	67.5	22%	0.223	34%	0.339	C	S	.	.	H	α-helix	trans	-68.7	-41.9	173.2	-177.3	-178.5	-179.8	128.7	7.6	111.2	A388 M393 R400 A620 S621 Y622 K628	A388-R624 PolarHBondContact O-NE 3.25Å; M393-R624 HydrophobicContact CE-CB 4.04Å; M393-R624 HydrophobicContact CE-CG 4.31Å; R400-R624 VanDerWaalsContact NH1-NH2 3.14Å; A620-R624 HydrophobicContact CB-CG 4.44Å; S621-R624 WeakPolarHBondContact O-CA 3.36Å; S621-R624 WeakPolarHBondContact O-CB 3.41Å; S621-R624 PolarHBondContact O-N 3.37Å; Y622-R624 PolarHBondContact O-N 2.93Å; R624-K628 WeakPolarHBondContact O-CB 3.43Å; R624-K628 PolarHBondContact O-N 3.32Å; R624-K628 VanDerWaalsContact O-N 3.12Å
625	Q	93.1	Very high	84.4	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-56.3	-53.7	172.6	-62.7	177.4	29.4	0	0	109.7	L389 F618 A620 S621 Y622 K627 K628 V629 Y714 V718	L389-Q625 HydrophobicContact CD2-CB 4.18Å; L389-Q625 HydrophobicContact CD2-CG 4.18Å; F618-Q625 VanDerWaalsContact CB-NE2 3.27Å; A620-Q625 HydrophobicContact CB-CG 3.85Å; A620-Q625 PolarHBondContact O-NE2 2.78Å; S621-Q625 WeakPolarHBondContact O-CG 3.28Å; S621-Q625 PolarHBondContact O-N 3.34Å; Y622-Q625 WeakPolarHBondContact O-CB 3.14Å; Y622-Q625 PolarHBondContact O-N 3.19Å; Q625-K627 PolarHBondContact O-N 2.83Å; Q625-K628 PolarHBondContact O-N 3.37Å; Q625-V629 WeakPolarHBondContact O-CG2 3.24Å; Q625-V629 PolarHBondContact O-N 2.73Å; Q625-Y714 VanDerWaalsContact OE1-CA 3.23Å; Q625-V718 HydrophobicContact CB-CB 4.43Å; Q625-V718 HydrophobicContact CB-CG1 3.92Å; Q625-V718 HydrophobicContact CB-CG2 3.9Å
626	L	94	Very high	86.5	Confident	33 Å²	33	58.5 Å²	58.5	17%	0.173	29%	0.288	C	S	.	.	H	α-helix	trans	-57.3	-53	179.6	-171	64.2	0	0	0	112.3	Y622 F623 K628 V629 C630 V718 F721	Y622-L626 HydrophobicContact CE1-CD2 4.49Å; Y622-L626 WeakPolarHBondContact O-CB 3.43Å; Y622-L626 PolarHBondContact O-N 2.94Å; F623-L626 PolarHBondContact O-N 3.01Å; L626-K628 PolarHBondContact O-N 2.88Å; L626-K628 VanDerWaalsContact O-N 3.16Å; L626-V629 PolarHBondContact O-N 2.63Å; L626-C630 VanDerWaalsContact O-CB 3.25Å; L626-C630 WeakPolarHBondContact O-CB 3.19Å; L626-C630 PolarHBondContact O-N 3.38Å; L626-C630 PolarHBondContact O-SG 3.46Å; L626-V718 HydrophobicContact CB-CG1 4.26Å; L626-V718 HydrophobicContact CD1-CG1 4.23Å; L626-F721 HydrophobicContact CD1-CB 4.31Å
627	K	94.6	Very high	88.1	Confident	149 Å²	149	55.6 Å²	55.6	65%	0.648	27%	0.273	S	S	*	.	H	α-helix	trans	-56.3	-36.4	179.3	-173.8	171	-178.1	174.7	0	112.9	F623 Q625 W631	F623-K627 WeakPolarHBondContact O-CB 3.41Å; F623-K627 PolarHBondContact O-N 3.41Å; Q625-K627 PolarHBondContact O-N 2.83Å; K627-W631 VanDerWaalsContact O-CB 3.3Å; K627-W631 WeakPolarHBondContact O-CB 3.31Å; K627-W631 PolarHBondContact O-N 3.47Å; K627-W631 VanDerWaalsContact O-N 3.09Å
628	K	94	Very high	89.5	Confident	82 Å²	82	57.7 Å²	57.7	36%	0.357	28%	0.277	S	S	.	.	H	α-helix	trans	-81.3	-34.7	-179.9	-76.3	-74.3	179.9	177.8	0	113.8	A388 L389 R624 Q625 L626 R632	A388-K628 HydrophobicContact CB-CD 3.81Å; A388-K628 HydrophobicContact CB-CG 3.93Å; L389-K628 HydrophobicContact CD2-CB 4.09Å; R624-K628 WeakPolarHBondContact O-CB 3.43Å; R624-K628 PolarHBondContact O-N 3.32Å; R624-K628 VanDerWaalsContact O-N 3.12Å; Q625-K628 PolarHBondContact O-N 3.37Å; L626-K628 PolarHBondContact O-N 2.88Å; L626-K628 VanDerWaalsContact O-N 3.16Å; K628-R632 PolarHBondContact O-N 2.94Å; K628-R632 VanDerWaalsContact O-N 3.16Å
629	V	94.6	Very high	90.3	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-70.9	-43.1	172.6	-174.4	0	0	0	0	110.3	F385 Q625 L626 W631 R632 S633 Y714 V718 S722	F385-V629 HydrophobicContact CE2-CG2 4.32Å; F385-V629 HydrophobicContact CZ-CG2 4.18Å; Q625-V629 WeakPolarHBondContact O-CG2 3.24Å; Q625-V629 PolarHBondContact O-N 2.73Å; L626-V629 PolarHBondContact O-N 2.63Å; V629-W631 PolarHBondContact O-N 3.26Å; V629-R632 PolarHBondContact O-N 2.88Å; V629-R632 VanDerWaalsContact O-N 3.12Å; V629-S633 PolarHBondContact O-N 3.23Å; V629-S633 PolarHBondContact O-OG 3.01Å; V629-Y714 HydrophobicContact CG2-CD1 3.64Å; V629-Y714 HydrophobicContact CG2-CE1 4.09Å; V629-Y714 HydrophobicContact CG2-CG 4.08Å; V629-V718 HydrophobicContact CB-CG1 4.17Å; V629-V718 HydrophobicContact CG2-CG1 3.91Å; V629-S722 VanDerWaalsContact C-OG 3.25Å; V629-S722 WeakPolarHBondContact CG1-OG 3.46Å; V629-S722 PolarHBondContact O-OG 3.48Å
630	C	94.5	Very high	90.7	Very high	21 Å²	21	60.2 Å²	60.2	14%	0.142	28%	0.283	C	S	.	.	H	α-helix	trans	-56.6	-48.3	173.4	-71.2	0	0	0	0	111.8	L626 R632 S633 I634 S722 C726	L626-C630 VanDerWaalsContact O-CB 3.25Å; L626-C630 WeakPolarHBondContact O-CB 3.19Å; L626-C630 PolarHBondContact O-N 3.38Å; L626-C630 PolarHBondContact O-SG 3.46Å; C630-R632 VanDerWaalsContact C-N 3.31Å; C630-R632 PolarHBondContact O-N 3.37Å; C630-S633 PolarHBondContact O-N 3.23Å; C630-I634 WeakPolarHBondContact O-CG1 3.37Å; C630-I634 PolarHBondContact O-N 3.14Å; C630-S722 VanDerWaalsContact CA-OG 3.26Å; C630-S722 WeakPolarHBondContact CA-OG 3.28Å; C630-S722 PolarHBondContact N-OG 3.43Å; C630-S722 VanDerWaalsContact N-OG 3.1Å; C630-C726 HydrophobicContact CB-CB 4.49Å; C630-C726 VanDerWaalsContact CB-SG 3.54Å; C630-C726 PolarHBondContact SG-SG 3.24Å
631	W	95.1	Very high	90.6	Very high	149 Å²	149	63.1 Å²	63.1	56%	0.564	30%	0.301	S	S	*	.	H	α-helix	trans	-54	-46.7	174.3	168.5	-100.4	0	0	0	112	K627 V629 I634 L635	K627-W631 VanDerWaalsContact O-CB 3.3Å; K627-W631 WeakPolarHBondContact O-CB 3.31Å; K627-W631 PolarHBondContact O-N 3.47Å; K627-W631 VanDerWaalsContact O-N 3.09Å; V629-W631 PolarHBondContact O-N 3.26Å; W631-I634 PolarHBondContact O-N 3.16Å; W631-L635 HydrophobicContact CZ2-CD1 4.48Å; W631-L635 HydrophobicContact CZ2-CD2 4.16Å; W631-L635 VanDerWaalsContact O-CB 3.26Å; W631-L635 WeakPolarHBondContact O-CB 3.44Å; W631-L635 PolarHBondContact O-N 3.24Å
632	R	94.1	Very high	90.4	Very high	15 Å²	15	65.4 Å²	65.4	6%	0.057	31%	0.308	C	S	.	.	H	α-helix	trans	-65	-41.4	178.1	-174.9	177.5	70.6	171.8	-0.4	112.3	L377 F385 K628 V629 C630 L635 N636 E708	L377-R632 HydrophobicContact CD1-CG 4.26Å; L377-R632 HydrophobicContact CD2-CG 3.94Å; F385-R632 HydrophobicContact CD2-CB 4.24Å; F385-R632 HydrophobicContact CE2-CB 4Å; K628-R632 PolarHBondContact O-N 2.94Å; K628-R632 VanDerWaalsContact O-N 3.16Å; V629-R632 PolarHBondContact O-N 2.88Å; V629-R632 VanDerWaalsContact O-N 3.12Å; C630-R632 VanDerWaalsContact C-N 3.31Å; C630-R632 PolarHBondContact O-N 3.37Å; R632-L635 PolarHBondContact O-N 3.4Å; R632-N636 WeakPolarHBondContact O-CB 3.32Å; R632-N636 PolarHBondContact O-N 2.87Å; R632-E708 IonicContact CZ-OE1 3.4Å; R632-E708 IonicContact CZ-OE2 3.28Å; R632-E708 IonicContact NH1-OE1 3.36Å; R632-E708 PolarHBondContact NH1-OE1 3.47Å; R632-E708 IonicContact NH1-OE2 2.67Å; R632-E708 PolarHBondContact NH1-OE2 3.37Å; R632-E708 IonicContact NH2-OE1 3.17Å; R632-E708 IonicContact NH2-OE2 2.9Å; R632-E708 PolarHBondContact NH2-OE2 3.26Å
633	S	91.7	Very high	89.9	Confident	21 Å²	21	62.6 Å²	62.6	15%	0.147	30%	0.303	C	S	.	.	H	α-helix	trans	-60.6	-46.6	177.3	-66.5	0	0	0	0	111.8	V629 C630 N636 L637 S722	V629-S633 PolarHBondContact O-N 3.23Å; V629-S633 PolarHBondContact O-OG 3.01Å; C630-S633 PolarHBondContact O-N 3.23Å; S633-N636 PolarHBondContact O-N 3.37Å; S633-L637 PolarHBondContact O-N 3.42Å; S633-S722 PolarHBondContact OG-OG 3.43Å
634	I	91.7	Very high	89.5	Confident	74 Å²	74	56.8 Å²	56.8	38%	0.379	28%	0.281	S	S	.	.	H	α-helix	trans	-64.6	-46.6	177	-62.7	168.6	0	0	0	110.6	C630 W631 N636 L637 L638 C726	C630-I634 WeakPolarHBondContact O-CG1 3.37Å; C630-I634 PolarHBondContact O-N 3.14Å; W631-I634 PolarHBondContact O-N 3.16Å; I634-N636 VanDerWaalsContact C-N 3.25Å; I634-N636 PolarHBondContact O-N 3.12Å; I634-L637 PolarHBondContact O-N 3.24Å; I634-L638 HydrophobicContact CG2-CD1 3.97Å; I634-L638 HydrophobicContact CG2-CG 4.46Å; I634-L638 WeakPolarHBondContact O-CG 3.07Å; I634-L638 PolarHBondContact O-N 3.48Å; I634-C726 HydrophobicContact CD1-CB 4.38Å; I634-C726 HydrophobicContact CG1-CB 3.94Å
635	L	91.9	Very high	89.4	Confident	19 Å²	19	57.3 Å²	57.3	10%	0.099	29%	0.291	C	S	.	.	H	α-helix	trans	-62.9	-32.3	179.2	-172.8	62.7	0	0	0	112.4	L377 W631 R632 R639	L377-L635 HydrophobicContact CD1-CD2 4.42Å; L377-L635 HydrophobicContact CG-CD2 4.49Å; W631-L635 HydrophobicContact CZ2-CD1 4.48Å; W631-L635 HydrophobicContact CZ2-CD2 4.16Å; W631-L635 VanDerWaalsContact O-CB 3.26Å; W631-L635 WeakPolarHBondContact O-CB 3.44Å; W631-L635 PolarHBondContact O-N 3.24Å; R632-L635 PolarHBondContact O-N 3.4Å; L635-R639 HydrophobicContact CD1-CG 4.49Å; L635-R639 VanDerWaalsContact O-CB 3.32Å; L635-R639 WeakPolarHBondContact O-CB 3.18Å; L635-R639 VanDerWaalsContact O-CG 3.25Å; L635-R639 WeakPolarHBondContact O-CG 3.37Å; L635-R639 PolarHBondContact O-N 3.25Å
636	N	89	Confident	89.1	Confident	27 Å²	27	61.7 Å²	61.7	14%	0.144	31%	0.314	C	S	.	.	H	α-helix	trans	-67	-50.7	172.5	-174.4	64.4	0	0	0	111.5	M374 T376 R632 S633 I634 L638 R639 D640	M374-N636 HydrophobicContact CE-CB 4.14Å; M374-N636 VanDerWaalsContact CE-CG 3.41Å; M374-N636 WeakPolarHBondContact CE-OD1 3.46Å; T376-N636 WeakPolarHBondContact CB-OD1 3.22Å; T376-N636 WeakPolarHBondContact CG2-OD1 3.31Å; T376-N636 PolarHBondContact OG1-OD1 2.92Å; R632-N636 WeakPolarHBondContact O-CB 3.32Å; R632-N636 PolarHBondContact O-N 2.87Å; S633-N636 PolarHBondContact O-N 3.37Å; I634-N636 VanDerWaalsContact C-N 3.25Å; I634-N636 PolarHBondContact O-N 3.12Å; N636-L638 PolarHBondContact O-N 2.89Å; N636-R639 PolarHBondContact O-N 3.34Å; N636-D640 PolarHBondContact O-N 3Å
637	L	86.3	Confident	88.6	Confident	36 Å²	36	60.9 Å²	60.9	19%	0.188	31%	0.309	C	S	.	.	H	α-helix	trans	-58.3	-34.7	179.8	178.7	58.9	0	0	0	112.7	S633 I634 P730 T731	S633-L637 PolarHBondContact O-N 3.42Å; I634-L637 PolarHBondContact O-N 3.24Å; L637-P730 HydrophobicContact CD2-CB 4.19Å; L637-T731 HydrophobicContact CD1-CG2 3.52Å; L637-T731 HydrophobicContact CD2-CG2 3.95Å; L637-T731 HydrophobicContact CG-CG2 4.41Å
638	L	88.4	Confident	88.2	Confident	128 Å²	128	56 Å²	56	67%	0.67	29%	0.292	S	S	*	.	H	α-helix	trans	-76.9	-19	175.3	-66.8	173.1	0	0	0	114.1	I634 N636	I634-L638 HydrophobicContact CG2-CD1 3.97Å; I634-L638 HydrophobicContact CG2-CG 4.46Å; I634-L638 WeakPolarHBondContact O-CG 3.07Å; I634-L638 PolarHBondContact O-N 3.48Å; N636-L638 PolarHBondContact O-N 2.89Å
639	R	89.5	Confident	88	Confident	70 Å²	70	56.8 Å²	56.8	26%	0.264	30%	0.299	S	S	.	.	H	α-helix	trans	-108.7	-19.2	-174.2	-75.3	-176.6	175.5	177.5	8.2	115.3	T376 E381 L635 N636 P641	T376-R639 VanDerWaalsContact O-CD 3.27Å; T376-R639 WeakPolarHBondContact O-CD 3.39Å; T376-R639 PolarHBondContact O-NH1 3.42Å; E381-R639 IonicContact OE1-CZ 2.65Å; E381-R639 IonicContact OE1-NH1 3.76Å; E381-R639 PolarHBondContact OE1-NH1 3.41Å; E381-R639 IonicContact OE1-NH2 2.83Å; E381-R639 PolarHBondContact OE1-NH2 2.91Å; E381-R639 IonicContact OE2-CZ 2.74Å; E381-R639 IonicContact OE2-NH1 2.81Å; E381-R639 PolarHBondContact OE2-NH1 2.68Å; E381-R639 IonicContact OE2-NH2 2.68Å; L635-R639 HydrophobicContact CD1-CG 4.49Å; L635-R639 VanDerWaalsContact O-CB 3.32Å; L635-R639 WeakPolarHBondContact O-CB 3.18Å; L635-R639 VanDerWaalsContact O-CG 3.25Å; L635-R639 WeakPolarHBondContact O-CG 3.37Å; L635-R639 PolarHBondContact O-N 3.25Å; N636-R639 PolarHBondContact O-N 3.34Å; R639-P641 WeakPolarHBondContact O-CD 3.47Å
640	D	82.4	Confident	87.9	Confident	71 Å²	71	59.7 Å²	59.7	38%	0.38	32%	0.316	S	S	.	.			trans	-117.4	68.6	163.7	-170.1	1.4	0	0	0	109.1	T376 N636 L642	T376-D640 HydrophobicContact CG2-CB 4.06Å; N636-D640 PolarHBondContact O-N 3Å; D640-L642 PolarHBondContact O-N 2.95Å
641	P	81.1	Confident	87.8	Confident	64 Å²	64	58.7 Å²	58.7	42%	0.416	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-12.5	-176.7	31.1	-37.4	0	0	0	112.5	R639 A643 S644 V645	R639-P641 WeakPolarHBondContact O-CD 3.47Å; P641-A643 VanDerWaalsContact C-N 3.35Å; P641-A643 PolarHBondContact O-N 3.37Å; P641-S644 CarbonylContact O-C 3.46Å; P641-S644 WeakPolarHBondContact O-CA 3.35Å; P641-S644 WeakPolarHBondContact O-CB 3.49Å; P641-S644 PolarHBondContact O-N 2.91Å; P641-V645 HydrophobicContact CB-CG2 4.11Å; P641-V645 WeakPolarHBondContact O-CB 3.45Å; P641-V645 WeakPolarHBondContact O-CG2 3.4Å; P641-V645 PolarHBondContact O-N 3.33Å
642	L	83	Confident	87.7	Confident	111 Å²	111	54.8 Å²	54.8	58%	0.581	30%	0.299	S	S	*	.	H	α-helix	trans	-55.1	-47.4	-171.6	-179	149.1	0	0	0	112	D640 S644 I646	D640-L642 PolarHBondContact O-N 2.95Å; L642-S644 VanDerWaalsContact C-N 3.3Å; L642-S644 PolarHBondContact O-N 3.23Å; L642-I646 HydrophobicContact CD2-CD1 3.62Å; L642-I646 HydrophobicContact CG-CD1 4.04Å; L642-I646 WeakPolarHBondContact O-CB 3.36Å; L642-I646 VanDerWaalsContact O-CG1 3.28Å; L642-I646 WeakPolarHBondContact O-CG1 3.35Å; L642-I646 PolarHBondContact O-N 3.17Å
643	A	78.1	Confident	87.7	Confident	30 Å²	30	61.4 Å²	61.4	25%	0.248	33%	0.329	C	S	.	.	H	α-helix	trans	-65.1	-33.1	178.1	0	0	0	0	0	112.9	P641 Q647 L697	P641-A643 VanDerWaalsContact C-N 3.35Å; P641-A643 PolarHBondContact O-N 3.37Å; A643-Q647 WeakPolarHBondContact O-CG 3.16Å; A643-Q647 PolarHBondContact O-NE2 2.87Å; A643-L697 HydrophobicContact CB-CD1 4.31Å; A643-L697 HydrophobicContact CB-CD2 4.49Å
644	S	83	Confident	87.8	Confident	30 Å²	30	61.4 Å²	61.4	21%	0.21	33%	0.326	C	S	.	.	H	α-helix	trans	-78.1	-42.4	179.5	-168.1	0	0	0	0	112.1	P641 L642 Q647 T648	P641-S644 CarbonylContact O-C 3.46Å; P641-S644 WeakPolarHBondContact O-CA 3.35Å; P641-S644 WeakPolarHBondContact O-CB 3.49Å; P641-S644 PolarHBondContact O-N 2.91Å; L642-S644 VanDerWaalsContact C-N 3.3Å; L642-S644 PolarHBondContact O-N 3.23Å; S644-Q647 PolarHBondContact O-N 2.68Å; S644-T648 VanDerWaalsContact O-CB 3.27Å; S644-T648 WeakPolarHBondContact O-CB 3.2Å; S644-T648 PolarHBondContact O-N 3.13Å; S644-T648 PolarHBondContact O-OG1 3.39Å
645	V	86.6	Confident	87.9	Confident	71 Å²	71	57.9 Å²	57.9	43%	0.43	31%	0.308	S	S	.	.	H	α-helix	trans	-65.6	-42.6	178.6	169.7	0	0	0	0	111	P641 Q647 T648 I649	P641-V645 HydrophobicContact CB-CG2 4.11Å; P641-V645 WeakPolarHBondContact O-CB 3.45Å; P641-V645 WeakPolarHBondContact O-CG2 3.4Å; P641-V645 PolarHBondContact O-N 3.33Å; V645-Q647 PolarHBondContact O-N 3.16Å; V645-T648 WeakPolarHBondContact O-CB 3.27Å; V645-T648 PolarHBondContact O-N 3.04Å; V645-I649 HydrophobicContact CG1-CD1 3.7Å; V645-I649 HydrophobicContact CG1-CG1 4.39Å; V645-I649 VanDerWaalsContact O-CG1 3.3Å; V645-I649 WeakPolarHBondContact O-CG1 3.49Å; V645-I649 PolarHBondContact O-N 3.44Å
646	I	86.9	Confident	88.1	Confident	93 Å²	93	60.4 Å²	60.4	48%	0.477	32%	0.321	S	S	.	.	H	α-helix	trans	-61.4	-45	175.7	-69.6	170.8	0	0	0	111	L642 T648 I649 V650	L642-I646 HydrophobicContact CD2-CD1 3.62Å; L642-I646 HydrophobicContact CG-CD1 4.04Å; L642-I646 WeakPolarHBondContact O-CB 3.36Å; L642-I646 VanDerWaalsContact O-CG1 3.28Å; L642-I646 WeakPolarHBondContact O-CG1 3.35Å; L642-I646 PolarHBondContact O-N 3.17Å; I646-T648 PolarHBondContact O-N 2.85Å; I646-I649 PolarHBondContact O-N 2.94Å; I646-V650 WeakPolarHBondContact O-CB 3.45Å; I646-V650 VanDerWaalsContact O-CG2 3.3Å; I646-V650 WeakPolarHBondContact O-CG2 3.4Å; I646-V650 PolarHBondContact O-N 3.4Å
647	Q	83.5	Confident	88.4	Confident	16 Å²	16	60.9 Å²	60.9	8%	0.075	33%	0.327	C	S	.	.	H	α-helix	trans	-64.1	-40.5	176.5	-73.4	172.7	85.8	0	0	112	A643 S644 V645 V650 Y651 V690	A643-Q647 WeakPolarHBondContact O-CG 3.16Å; A643-Q647 PolarHBondContact O-NE2 2.87Å; S644-Q647 PolarHBondContact O-N 2.68Å; V645-Q647 PolarHBondContact O-N 3.16Å; Q647-V650 PolarHBondContact O-N 3.09Å; Q647-Y651 VanDerWaalsContact O-CD2 3.27Å; Q647-Y651 WeakPolarHBondContact O-CD2 3.29Å; Q647-Y651 PolarHBondContact O-N 3Å; Q647-V690 HydrophobicContact CG-CG1 4.38Å
648	T	86.1	Confident	88.8	Confident	46 Å²	46	60.6 Å²	60.6	28%	0.282	33%	0.325	S	S	.	.	H	α-helix	trans	-58.6	-48.5	175	-67.7	0	0	0	0	111.9	S644 V645 I646 Y651 L652 F739	S644-T648 VanDerWaalsContact O-CB 3.27Å; S644-T648 WeakPolarHBondContact O-CB 3.2Å; S644-T648 PolarHBondContact O-N 3.13Å; S644-T648 PolarHBondContact O-OG1 3.39Å; V645-T648 WeakPolarHBondContact O-CB 3.27Å; V645-T648 PolarHBondContact O-N 3.04Å; I646-T648 PolarHBondContact O-N 2.85Å; T648-Y651 PolarHBondContact O-N 3.2Å; T648-L652 PolarHBondContact O-N 3.44Å; T648-F739 HydrophobicContact CG2-CE2 3.67Å; T648-F739 HydrophobicContact CG2-CZ 3.71Å
649	I	91.1	Very high	89.1	Confident	99 Å²	99	54.5 Å²	54.5	51%	0.508	29%	0.293	S	S	.	.	H	α-helix	trans	-64.3	-41.6	177.2	-68.6	165.9	0	0	0	111.3	V645 I646 Y651 L652 F653	V645-I649 HydrophobicContact CG1-CD1 3.7Å; V645-I649 HydrophobicContact CG1-CG1 4.39Å; V645-I649 VanDerWaalsContact O-CG1 3.3Å; V645-I649 WeakPolarHBondContact O-CG1 3.49Å; V645-I649 PolarHBondContact O-N 3.44Å; I646-I649 PolarHBondContact O-N 2.94Å; I649-Y651 VanDerWaalsContact C-N 3.33Å; I649-Y651 PolarHBondContact O-N 3.28Å; I649-L652 PolarHBondContact O-N 3.04Å; I649-F653 WeakPolarHBondContact O-CB 3.26Å; I649-F653 PolarHBondContact O-N 2.98Å
650	V	91.7	Very high	89.3	Confident	63 Å²	63	56.6 Å²	56.6	38%	0.382	31%	0.308	S	S	.	.	H	α-helix	trans	-62.6	-38.9	177.2	164.7	0	0	0	0	111.8	I646 Q647 F654 Q686	I646-V650 WeakPolarHBondContact O-CB 3.45Å; I646-V650 VanDerWaalsContact O-CG2 3.3Å; I646-V650 WeakPolarHBondContact O-CG2 3.4Å; I646-V650 PolarHBondContact O-N 3.4Å; Q647-V650 PolarHBondContact O-N 3.09Å; V650-F654 VanDerWaalsContact O-CB 3.29Å; V650-F654 WeakPolarHBondContact O-CB 3.48Å; V650-F654 PolarHBondContact O-N 3.26Å; V650-Q686 VanDerWaalsContact CG1-NE2 3.34Å
651	Y	91.6	Very high	89.9	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-68.8	-41	174.1	-85.2	-64.8	0	0	0	113	Q647 T648 I649 F654 A655 Q686 V687 V690 P735 I736 M740	Q647-Y651 VanDerWaalsContact O-CD2 3.27Å; Q647-Y651 WeakPolarHBondContact O-CD2 3.29Å; Q647-Y651 PolarHBondContact O-N 3Å; T648-Y651 PolarHBondContact O-N 3.2Å; I649-Y651 VanDerWaalsContact C-N 3.33Å; I649-Y651 PolarHBondContact O-N 3.28Å; Y651-F654 PolarHBondContact O-N 3.25Å; Y651-A655 WeakPolarHBondContact O-CB 3.22Å; Y651-A655 PolarHBondContact O-N 3.43Å; Y651-Q686 HydrophobicContact CD1-CG 4.48Å; Y651-Q686 HydrophobicContact CE1-CG 4.23Å; Y651-V687 HydrophobicContact CE1-CG2 4.23Å; Y651-V690 HydrophobicContact CE1-CG2 4.46Å; Y651-V690 HydrophobicContact CE2-CB 4.42Å; Y651-V690 HydrophobicContact CE2-CG1 3.75Å; Y651-V690 HydrophobicContact CE2-CG2 4.4Å; Y651-P735 HydrophobicContact CD2-CB 3.3Å; Y651-P735 HydrophobicContact CD2-CG 4.15Å; Y651-P735 HydrophobicContact CE2-CB 3.81Å; Y651-P735 HydrophobicContact CE2-CG 4.4Å; Y651-P735 HydrophobicContact CG-CB 3.91Å; Y651-I736 HydrophobicContact CE1-CG1 4.2Å; Y651-M740 HydrophobicContact CD1-CE 3.78Å; Y651-M740 HydrophobicContact CE1-CE 3.91Å
652	L	93.4	Very high	90.6	Very high	67 Å²	67	56.5 Å²	56.5	35%	0.351	31%	0.306	S	S	.	.	H	α-helix	trans	-60.8	-48.7	174.7	175.3	61.1	0	0	0	111.8	T648 I649 F654 A655 L656 F739 I742	T648-L652 PolarHBondContact O-N 3.44Å; I649-L652 PolarHBondContact O-N 3.04Å; L652-F654 PolarHBondContact O-N 3.22Å; L652-A655 PolarHBondContact O-N 3.38Å; L652-L656 HydrophobicContact CD1-CD1 3.86Å; L652-L656 HydrophobicContact CD1-CG 4.18Å; L652-L656 HydrophobicContact CG-CD1 4.11Å; L652-L656 WeakPolarHBondContact O-CG 3.35Å; L652-L656 PolarHBondContact O-N 3.01Å; L652-F739 HydrophobicContact CB-CD1 3.86Å; L652-F739 HydrophobicContact CB-CE1 3.97Å; L652-F739 HydrophobicContact CB-CG 4.24Å; L652-F739 HydrophobicContact CB-CZ 4.47Å; L652-F739 HydrophobicContact CD1-CD1 3.76Å; L652-F739 HydrophobicContact CD1-CE1 4.01Å; L652-F739 HydrophobicContact CG-CD1 4.36Å; L652-F739 HydrophobicContact CG-CE1 4.39Å; L652-I742 HydrophobicContact CD1-CD1 4.04Å
653	F	94.4	Very high	91.1	Very high	154 Å²	154	56.7 Å²	56.7	68%	0.675	30%	0.302	S	S	*	.	H	α-helix	trans	-60.7	-45.2	177.5	179.7	-95.9	0	0	0	111.6	I649 L656 S657	I649-F653 WeakPolarHBondContact O-CB 3.26Å; I649-F653 PolarHBondContact O-N 2.98Å; F653-L656 PolarHBondContact O-N 3.23Å; F653-S657 WeakPolarHBondContact O-CB 3.32Å; F653-S657 PolarHBondContact O-N 3.44Å; F653-S657 PolarHBondContact O-OG 3.2Å
654	F	94.2	Very high	91.7	Very high	21 Å²	21	61.8 Å²	61.8	9%	0.092	32%	0.321	C	S	.	.	H	α-helix	trans	-60	-49.7	177.3	-178.8	-89.3	0	0	0	111.8	V650 Y651 L652 L656 S657 M658 F682 Q686 M740	V650-F654 VanDerWaalsContact O-CB 3.29Å; V650-F654 WeakPolarHBondContact O-CB 3.48Å; V650-F654 PolarHBondContact O-N 3.26Å; Y651-F654 PolarHBondContact O-N 3.25Å; L652-F654 PolarHBondContact O-N 3.22Å; F654-L656 VanDerWaalsContact C-N 3.35Å; F654-L656 PolarHBondContact O-N 3.48Å; F654-S657 PolarHBondContact O-N 3.24Å; F654-S657 PolarHBondContact O-OG 3.08Å; F654-M658 HydrophobicContact CD1-CG 4.21Å; F654-M658 HydrophobicContact CD2-CE 4.47Å; F654-M658 HydrophobicContact CD2-CG 4.37Å; F654-M658 HydrophobicContact CE1-CB 4.42Å; F654-M658 HydrophobicContact CE1-CG 3.68Å; F654-M658 HydrophobicContact CE2-CE 3.68Å; F654-M658 HydrophobicContact CE2-CG 3.87Å; F654-M658 HydrophobicContact CZ-CE 4Å; F654-M658 HydrophobicContact CZ-CG 3.49Å; F654-M658 VanDerWaalsContact CZ-CG 3.49Å; F654-M658 HydrophobicContact CZ-SD 4.36Å; F654-M658 PolarHBondContact O-N 3.41Å; F654-F682 HydrophobicContact CZ-CB 4.21Å; F654-F682 WeakPolarHBondContact CZ-O 3.36Å; F654-Q686 HydrophobicContact CB-CG 4.26Å; F654-Q686 HydrophobicContact CD1-CB 4.16Å; F654-Q686 HydrophobicContact CD1-CG 3.79Å; F654-Q686 HydrophobicContact CD2-CB 3.89Å; F654-Q686 HydrophobicContact CD2-CG 3.65Å; F654-Q686 HydrophobicContact CE1-CB 3.85Å; F654-Q686 HydrophobicContact CE1-CG 4.03Å; F654-Q686 HydrophobicContact CE2-CB 3.56Å; F654-Q686 HydrophobicContact CE2-CG 3.89Å; F654-Q686 HydrophobicContact CG-CB 4.18Å; F654-Q686 HydrophobicContact CG-CG 3.6Å; F654-Q686 HydrophobicContact CZ-CB 3.55Å; F654-Q686 HydrophobicContact CZ-CG 4.08Å; F654-M740 HydrophobicContact CD1-CE 3.78Å; F654-M740 HydrophobicContact CE1-CE 3.98Å
655	A	94.7	Very high	92	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61.8	-40.7	-178.2	0	0	0	0	0	112.5	Y651 L652 G659 F739 I742 C743	Y651-A655 WeakPolarHBondContact O-CB 3.22Å; Y651-A655 PolarHBondContact O-N 3.43Å; L652-A655 PolarHBondContact O-N 3.38Å; A655-G659 PolarHBondContact O-N 2.87Å; A655-F739 HydrophobicContact CB-CB 4.12Å; A655-F739 WeakPolarHBondContact CB-O 3.46Å; A655-I742 HydrophobicContact CB-CB 4.44Å; A655-C743 HydrophobicContact CB-CB 4.21Å
656	L	95.5	Very high	92	Very high	72 Å²	72	60.8 Å²	60.8	38%	0.377	31%	0.31	S	S	.	.	H	α-helix	trans	-66.4	-47.7	173.2	-70.4	171.2	0	0	0	111.6	L652 F653 F654 M658 G659 I660 I742 M746	L652-L656 HydrophobicContact CD1-CD1 3.86Å; L652-L656 HydrophobicContact CD1-CG 4.18Å; L652-L656 HydrophobicContact CG-CD1 4.11Å; L652-L656 WeakPolarHBondContact O-CG 3.35Å; L652-L656 PolarHBondContact O-N 3.01Å; F653-L656 PolarHBondContact O-N 3.23Å; F654-L656 VanDerWaalsContact C-N 3.35Å; F654-L656 PolarHBondContact O-N 3.48Å; L656-M658 PolarHBondContact O-N 2.84Å; L656-G659 PolarHBondContact O-N 3.45Å; L656-I660 WeakPolarHBondContact O-CB 3.34Å; L656-I660 VanDerWaalsContact O-CG1 3.25Å; L656-I660 WeakPolarHBondContact O-CG1 3.26Å; L656-I660 PolarHBondContact O-N 3.24Å; L656-I742 HydrophobicContact CD2-CG2 4.05Å; L656-M746 HydrophobicContact CD2-SD 4.47Å
657	S	95.3	Very high	92	Very high	36 Å²	36	60.1 Å²	60.1	25%	0.252	31%	0.307	S	S	.	.	H	α-helix	trans	-61.8	-43	-178.9	67.5	0	0	0	0	112.5	F653 F654 I660 V661	F653-S657 WeakPolarHBondContact O-CB 3.32Å; F653-S657 PolarHBondContact O-N 3.44Å; F653-S657 PolarHBondContact O-OG 3.2Å; F654-S657 PolarHBondContact O-N 3.24Å; F654-S657 PolarHBondContact O-OG 3.08Å; S657-I660 PolarHBondContact O-N 3.01Å; S657-V661 WeakPolarHBondContact O-CB 3.43Å; S657-V661 VanDerWaalsContact O-CG2 3.3Å; S657-V661 WeakPolarHBondContact O-CG2 3.49Å; S657-V661 PolarHBondContact O-N 3.35Å
658	M	94.4	Very high	92.2	Very high	30 Å²	30	59.7 Å²	59.7	15%	0.148	31%	0.306	C	S	.	.	H	α-helix	trans	-72.4	-39.9	177	-69.8	-63	161.7	0	0	111.1	F654 L656 I660 V661 Y662 L679 F682	F654-M658 HydrophobicContact CD1-CG 4.21Å; F654-M658 HydrophobicContact CD2-CE 4.47Å; F654-M658 HydrophobicContact CD2-CG 4.37Å; F654-M658 HydrophobicContact CE1-CB 4.42Å; F654-M658 HydrophobicContact CE1-CG 3.68Å; F654-M658 HydrophobicContact CE2-CE 3.68Å; F654-M658 HydrophobicContact CE2-CG 3.87Å; F654-M658 HydrophobicContact CZ-CE 4Å; F654-M658 HydrophobicContact CZ-CG 3.49Å; F654-M658 VanDerWaalsContact CZ-CG 3.49Å; F654-M658 HydrophobicContact CZ-SD 4.36Å; F654-M658 PolarHBondContact O-N 3.41Å; L656-M658 PolarHBondContact O-N 2.84Å; M658-I660 PolarHBondContact O-N 3.42Å; M658-V661 PolarHBondContact O-N 3.23Å; M658-Y662 HydrophobicContact CB-CD2 4.5Å; M658-Y662 VanDerWaalsContact O-CB 3.28Å; M658-Y662 WeakPolarHBondContact O-CB 3.38Å; M658-Y662 PolarHBondContact O-N 3.25Å; M658-Y662 HydrophobicContact SD-CD2 4.04Å; M658-Y662 HydrophobicContact SD-CE2 3.79Å; M658-L679 HydrophobicContact CB-CD1 4.29Å; M658-F682 HydrophobicContact CE-CB 3.83Å; M658-F682 HydrophobicContact CE-CD1 4.34Å; M658-F682 HydrophobicContact CE-CD2 4.35Å; M658-F682 HydrophobicContact CE-CG 3.93Å; M658-F682 HydrophobicContact SD-CB 3.98Å; M658-F682 HydrophobicContact SD-CD2 4.35Å; M658-F682 HydrophobicContact SD-CG 4.31Å
659	G	93.9	Very high	92.2	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.3	-30	174.2	0	0	0	0	0	113.9	A655 L656 F663	A655-G659 PolarHBondContact O-N 2.87Å; L656-G659 PolarHBondContact O-N 3.45Å; G659-F663 VanDerWaalsContact O-CA 3.29Å; G659-F663 WeakPolarHBondContact O-CA 3.08Å; G659-F663 WeakPolarHBondContact O-CB 3.26Å; G659-F663 PolarHBondContact O-N 2.95Å
660	I	95.3	Very high	91.8	Very high	114 Å²	114	58.2 Å²	58.2	59%	0.585	30%	0.295	S	S	*	.	H	α-helix	trans	-79.3	-49.4	173.9	-67.5	164.9	0	0	0	111.3	L656 S657 M658 Y662 F663 M746	L656-I660 WeakPolarHBondContact O-CB 3.34Å; L656-I660 VanDerWaalsContact O-CG1 3.25Å; L656-I660 WeakPolarHBondContact O-CG1 3.26Å; L656-I660 PolarHBondContact O-N 3.24Å; S657-I660 PolarHBondContact O-N 3.01Å; M658-I660 PolarHBondContact O-N 3.42Å; I660-Y662 PolarHBondContact O-N 2.98Å; I660-F663 WeakPolarHBondContact O-CB 3.46Å; I660-F663 PolarHBondContact O-N 3.27Å; I660-M746 HydrophobicContact CG1-CE 3.9Å
661	V	95.2	Very high	91.7	Very high	105 Å²	105	56.7 Å²	56.7	64%	0.636	29%	0.287	S	S	*	.	H	α-helix	trans	-61.3	-34.7	-179.6	167.7	0	0	0	0	112	S657 M658	S657-V661 WeakPolarHBondContact O-CB 3.43Å; S657-V661 VanDerWaalsContact O-CG2 3.3Å; S657-V661 WeakPolarHBondContact O-CG2 3.49Å; S657-V661 PolarHBondContact O-N 3.35Å; M658-V661 PolarHBondContact O-N 3.23Å
662	Y	93.8	Very high	91.6	Very high	28 Å²	28	56.7 Å²	56.7	11%	0.11	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	21.6	-178.1	-70.9	-64.7	0	0	0	113	M658 I660 Q664 M665 N675 L679 F682 A747	M658-Y662 HydrophobicContact CB-CD2 4.5Å; M658-Y662 VanDerWaalsContact O-CB 3.28Å; M658-Y662 WeakPolarHBondContact O-CB 3.38Å; M658-Y662 PolarHBondContact O-N 3.25Å; M658-Y662 HydrophobicContact SD-CD2 4.04Å; M658-Y662 HydrophobicContact SD-CE2 3.79Å; I660-Y662 PolarHBondContact O-N 2.98Å; Y662-Q664 PolarHBondContact O-N 2.67Å; Y662-M665 VanDerWaalsContact CB-SD 3.53Å; Y662-M665 HydrophobicContact CD1-CG 4.41Å; Y662-M665 HydrophobicContact CD1-SD 3.59Å; Y662-M665 VanDerWaalsContact CD1-SD 3.59Å; Y662-M665 HydrophobicContact CG-SD 3.93Å; Y662-M665 WeakPolarHBondContact O-CG 3.44Å; Y662-N675 HydrophobicContact CD1-CB 4.12Å; Y662-N675 HydrophobicContact CE1-CB 4.12Å; Y662-N675 WeakPolarHBondContact CE1-O 3.17Å; Y662-L679 HydrophobicContact CD1-CB 4.3Å; Y662-L679 HydrophobicContact CD2-CB 4Å; Y662-L679 HydrophobicContact CD2-CD1 3.62Å; Y662-L679 HydrophobicContact CD2-CG 4.36Å; Y662-L679 HydrophobicContact CE1-CB 4.46Å; Y662-L679 HydrophobicContact CE2-CB 4.14Å; Y662-L679 HydrophobicContact CE2-CD1 4.27Å; Y662-L679 HydrophobicContact CG-CB 4.07Å; Y662-L679 HydrophobicContact CG-CD1 4.07Å; Y662-L679 HydrophobicContact CG-CG 4.49Å; Y662-F682 HydrophobicContact CE2-CD2 4.13Å; Y662-F682 WeakPolarHBondContact OH-CE2 3.47Å; Y662-A747 WeakPolarHBondContact O-CA 3.48Å
663	F	94.2	Very high	91.5	Very high	115 Å²	115	54.7 Å²	54.7	50%	0.504	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	124.1	-174.7	-173.7	-97	0	0	0	113	G659 I660 M665 M746	G659-F663 VanDerWaalsContact O-CA 3.29Å; G659-F663 WeakPolarHBondContact O-CA 3.08Å; G659-F663 WeakPolarHBondContact O-CB 3.26Å; G659-F663 PolarHBondContact O-N 2.95Å; I660-F663 WeakPolarHBondContact O-CB 3.46Å; I660-F663 PolarHBondContact O-N 3.27Å; F663-M665 PolarHBondContact O-N 3.33Å; F663-M746 HydrophobicContact CD2-CB 4.44Å; F663-M746 HydrophobicContact CD2-CE 4.23Å
664	Q	91.3	Very high	91.3	Very high	138 Å²	138	54 Å²	54	65%	0.645	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.2	61.4	176.7	-62.8	-172	8.2	0	0	114.1	Y662 M746	Y662-Q664 PolarHBondContact O-N 2.67Å; Q664-M746 PolarHBondContact N-O 3.21Å
665	M	89.6	Confident	91.3	Very high	21 Å²	21	55.4 Å²	55.4	10%	0.103	28%	0.284	C	S	.	.			trans	-57.5	139.1	-176.4	-81.1	153.8	35.4	0	0	113.9	Y662 F663 N675 R676 L679 A747	Y662-M665 VanDerWaalsContact CB-SD 3.53Å; Y662-M665 HydrophobicContact CD1-CG 4.41Å; Y662-M665 HydrophobicContact CD1-SD 3.59Å; Y662-M665 VanDerWaalsContact CD1-SD 3.59Å; Y662-M665 HydrophobicContact CG-SD 3.93Å; Y662-M665 WeakPolarHBondContact O-CG 3.44Å; F663-M665 PolarHBondContact O-N 3.33Å; M665-N675 HydrophobicContact CE-CB 3.9Å; M665-N675 HydrophobicContact CG-CB 3.88Å; M665-N675 HydrophobicContact SD-CB 3.9Å; M665-R676 HydrophobicContact CE-CB 3.96Å; M665-R676 HydrophobicContact CE-CG 3.16Å; M665-L679 HydrophobicContact CE-CD2 4.41Å; M665-L679 HydrophobicContact SD-CD2 4.2Å; M665-A747 PolarHBondContact N-O 2.85Å; M665-A747 VanDerWaalsContact N-O 3.1Å
666	N	86.8	Confident	91.2	Very high	59 Å²	59	55.8 Å²	55.8	32%	0.316	29%	0.285	S	S	.	.			trans	-78.5	155.6	178.5	59.3	-4.8	0	0	0	113.2	S668 S671 G672 R676	N666-S668 VanDerWaalsContact C-N 3.27Å; N666-S668 PolarHBondContact ND2-OG 3.32Å; N666-S668 PolarHBondContact O-N 3.46Å; N666-S668 PolarHBondContact OD1-OG 3.01Å; N666-S671 PolarHBondContact ND2-OG 3.06Å; N666-S671 VanDerWaalsContact ND2-OG 3.1Å; N666-S671 PolarHBondContact OD1-OG 3.47Å; N666-G672 WeakPolarHBondContact O-CA 3.38Å; N666-R676 PolarHBondContact O-NH1 2.86Å
667	D	86.6	Confident	91.1	Very high	78 Å²	78	52.6 Å²	52.6	42%	0.417	27%	0.269	S	S	.	.			trans	-95.5	32.4	174.6	-62.8	-21.2	0	0	0	111.8	R676 F841 C842	D667-R676 IonicContact OD1-CZ 2.61Å; D667-R676 IonicContact OD1-NH1 2.82Å; D667-R676 PolarHBondContact OD1-NH1 2.84Å; D667-R676 IonicContact OD1-NH2 3.55Å; D667-R676 PolarHBondContact OD1-NH2 3.33Å; D667-F841 HydrophobicContact CB-CD1 4.49Å; D667-F841 WeakPolarHBondContact O-CA 3.38Å; D667-C842 PolarHBondContact O-N 2.86Å
668	S	87.6	Confident	91	Very high	7 Å²	7	51 Å²	51	5%	0.049	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-72.7	150.6	174.8	67.9	0	0	0	0	111.3	N666 E670 S671 G672 C842	N666-S668 VanDerWaalsContact C-N 3.27Å; N666-S668 PolarHBondContact ND2-OG 3.32Å; N666-S668 PolarHBondContact O-N 3.46Å; N666-S668 PolarHBondContact OD1-OG 3.01Å; S668-E670 VanDerWaalsContact C-N 3.26Å; S668-S671 PolarHBondContact OG-N 3.36Å; S668-S671 VanDerWaalsContact OG-N 3.07Å; S668-S671 PolarHBondContact OG-OG 3.32Å; S668-G672 WeakPolarHBondContact O-CA 3.18Å; S668-G672 PolarHBondContact O-N 3.34Å; S668-G672 PolarHBondContact OG-N 2.96Å; S668-C842 CarbonylContact C-O 3.57Å; S668-C842 WeakPolarHBondContact CA-O 3.32Å
669	L	85.1	Confident	91	Very high	36 Å²	36	49.7 Å²	49.7	19%	0.188	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-29.8	171	-171.4	63.1	0	0	0	111.5	F841 C842 R853 Q856	L669-F841 HydrophobicContact CB-CB 4.44Å; L669-F841 HydrophobicContact CD1-CB 4.06Å; L669-C842 PolarHBondContact N-O 3.2Å; L669-R853 HydrophobicContact CD2-CB 4.46Å; L669-Q856 HydrophobicContact CD1-CB 4.09Å; L669-Q856 HydrophobicContact CD1-CG 4.18Å
670	E	83.6	Confident	91.1	Very high	78 Å²	78	49.7 Å²	49.7	36%	0.364	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-32.3	-178.9	-70.3	69.8	-150	0	0	114.4	S668 P843 M844 R853	S668-E670 VanDerWaalsContact C-N 3.26Å; E670-P843 WeakPolarHBondContact OE2-CA 3.34Å; E670-M844 PolarHBondContact OE2-N 2.98Å; E670-R853 IonicContact OE1-NH1 2.84Å; E670-R853 PolarHBondContact OE1-NH1 3.26Å
671	S	89.1	Confident	91.1	Very high	31 Å²	31	44.9 Å²	44.9	22%	0.217	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.5	-23.5	-174.7	56.8	0	0	0	0	115.8	N666 S668 I673 Q674 N675	N666-S671 PolarHBondContact ND2-OG 3.06Å; N666-S671 VanDerWaalsContact ND2-OG 3.1Å; N666-S671 PolarHBondContact OD1-OG 3.47Å; S668-S671 PolarHBondContact OG-N 3.36Å; S668-S671 VanDerWaalsContact OG-N 3.07Å; S668-S671 PolarHBondContact OG-OG 3.32Å; S671-I673 VanDerWaalsContact C-N 3.35Å; S671-I673 PolarHBondContact O-N 3.43Å; S671-Q674 PolarHBondContact O-N 3.35Å; S671-N675 WeakPolarHBondContact O-CB 3.38Å; S671-N675 VanDerWaalsContact O-CG 3.27Å; S671-N675 PolarHBondContact O-N 2.94Å
672	G	90.2	Very high	91.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.6	-36.5	-171.3	0	0	0	0	0	114.9	N666 S668 R676	N666-G672 WeakPolarHBondContact O-CA 3.38Å; S668-G672 WeakPolarHBondContact O-CA 3.18Å; S668-G672 PolarHBondContact O-N 3.34Å; S668-G672 PolarHBondContact OG-N 2.96Å; G672-R676 WeakPolarHBondContact O-CG 3.28Å; G672-R676 PolarHBondContact O-N 3.17Å
673	I	90.5	Very high	91.1	Very high	25 Å²	25	42 Å²	42	13%	0.128	21%	0.206	C	C	.	.	H	α-helix	trans	-74.3	-45.7	177.2	-59.4	174.4	0	0	0	110.9	S671 N675 R676 T677 M836 F841 Y861	S671-I673 VanDerWaalsContact C-N 3.35Å; S671-I673 PolarHBondContact O-N 3.43Å; I673-N675 VanDerWaalsContact C-N 3.33Å; I673-N675 PolarHBondContact O-N 3.22Å; I673-R676 PolarHBondContact O-N 3.35Å; I673-T677 HydrophobicContact CG2-CG2 4.32Å; I673-T677 WeakPolarHBondContact O-CB 3.19Å; I673-T677 VanDerWaalsContact O-CG2 3.3Å; I673-T677 WeakPolarHBondContact O-CG2 3.45Å; I673-T677 PolarHBondContact O-N 2.89Å; I673-T677 PolarHBondContact O-OG1 2.9Å; I673-M836 HydrophobicContact CG2-CE 4.13Å; I673-F841 HydrophobicContact CD1-CB 4.45Å; I673-F841 HydrophobicContact CD1-CD2 3.77Å; I673-F841 HydrophobicContact CD1-CE2 4.21Å; I673-F841 HydrophobicContact CD1-CG 4.06Å; I673-F841 HydrophobicContact CG1-CB 4.49Å; I673-F841 HydrophobicContact CG1-CD1 3.92Å; I673-F841 HydrophobicContact CG1-CD2 3.54Å; I673-F841 HydrophobicContact CG1-CE1 3.98Å; I673-F841 HydrophobicContact CG1-CE2 3.61Å; I673-F841 HydrophobicContact CG1-CG 3.71Å; I673-F841 HydrophobicContact CG1-CZ 3.83Å; I673-Y861 HydrophobicContact CG2-CD1 4.31Å; I673-Y861 HydrophobicContact CG2-CD2 3.67Å; I673-Y861 HydrophobicContact CG2-CE2 3.95Å; I673-Y861 HydrophobicContact CG2-CG 3.88Å
674	Q	90.9	Very high	91.2	Very high	140 Å²	140	36.5 Å²	36.5	65%	0.654	18%	0.182	S	C	*	.	H	α-helix	trans	-65.8	-37	-178.2	-174	171.7	-7.9	0	0	111.7	S671 T677 G678	S671-Q674 PolarHBondContact O-N 3.35Å; Q674-T677 WeakPolarHBondContact CA-OG1 3.44Å; Q674-T677 PolarHBondContact O-OG1 2.91Å; Q674-T677 VanDerWaalsContact O-OG1 3.07Å; Q674-G678 PolarHBondContact O-N 3.33Å
675	N	93.2	Very high	91.4	Very high	50 Å²	50	32 Å²	32	27%	0.267	16%	0.162	S	C	.	.	H	α-helix	trans	-69.2	-43.8	177.9	-69.5	-9.8	0	0	0	111.7	Y662 M665 S671 I673 G678 L679	Y662-N675 HydrophobicContact CD1-CB 4.12Å; Y662-N675 HydrophobicContact CE1-CB 4.12Å; Y662-N675 WeakPolarHBondContact CE1-O 3.17Å; M665-N675 HydrophobicContact CE-CB 3.9Å; M665-N675 HydrophobicContact CG-CB 3.88Å; M665-N675 HydrophobicContact SD-CB 3.9Å; S671-N675 WeakPolarHBondContact O-CB 3.38Å; S671-N675 VanDerWaalsContact O-CG 3.27Å; S671-N675 PolarHBondContact O-N 2.94Å; I673-N675 VanDerWaalsContact C-N 3.33Å; I673-N675 PolarHBondContact O-N 3.22Å; N675-G678 PolarHBondContact O-N 3.49Å; N675-L679 WeakPolarHBondContact O-CB 3.41Å; N675-L679 PolarHBondContact O-N 2.75Å
676	R	93.6	Very high	91.6	Very high	8 Å²	8	32.7 Å²	32.7	3%	0.03	17%	0.165	C	C	.	.	H	α-helix	trans	-64	-43.4	176.6	-74.8	177.8	166.2	96.2	-12.5	112.9	M665 N666 D667 G672 I673 F680 E835 M836 L839	M665-R676 HydrophobicContact CE-CB 3.96Å; M665-R676 HydrophobicContact CE-CG 3.16Å; N666-R676 PolarHBondContact O-NH1 2.86Å; D667-R676 IonicContact OD1-CZ 2.61Å; D667-R676 IonicContact OD1-NH1 2.82Å; D667-R676 PolarHBondContact OD1-NH1 2.84Å; D667-R676 IonicContact OD1-NH2 3.55Å; D667-R676 PolarHBondContact OD1-NH2 3.33Å; G672-R676 WeakPolarHBondContact O-CG 3.28Å; G672-R676 PolarHBondContact O-N 3.17Å; I673-R676 PolarHBondContact O-N 3.35Å; R676-F680 VanDerWaalsContact O-CD2 3.31Å; R676-F680 WeakPolarHBondContact O-CD2 3.32Å; R676-F680 WeakPolarHBondContact O-CG 3.36Å; R676-F680 PolarHBondContact O-N 3.08Å; R676-E835 HydrophobicContact CG-CG 4.41Å; R676-E835 IonicContact CZ-OE1 2.75Å; R676-E835 IonicContact NE-OE1 3.61Å; R676-E835 PolarHBondContact NE-OE1 3.42Å; R676-E835 IonicContact NH2-OE1 3.34Å; R676-M836 HydrophobicContact CB-CE 3.62Å; R676-L839 VanDerWaalsContact CZ-CD1 3.5Å; R676-L839 VanDerWaalsContact NE-CD1 3.26Å
677	T	92.7	Very high	91.9	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.031	15%	0.15	C	C	.	.	H	α-helix	trans	-67.9	-41.3	177.9	51.7	0	0	0	0	111.9	I673 Q674 Y681 M828 L832 M836 Y861	I673-T677 HydrophobicContact CG2-CG2 4.32Å; I673-T677 WeakPolarHBondContact O-CB 3.19Å; I673-T677 VanDerWaalsContact O-CG2 3.3Å; I673-T677 WeakPolarHBondContact O-CG2 3.45Å; I673-T677 PolarHBondContact O-N 2.89Å; I673-T677 PolarHBondContact O-OG1 2.9Å; Q674-T677 WeakPolarHBondContact CA-OG1 3.44Å; Q674-T677 PolarHBondContact O-OG1 2.91Å; Q674-T677 VanDerWaalsContact O-OG1 3.07Å; T677-Y681 VanDerWaalsContact O-CB 3.25Å; T677-Y681 WeakPolarHBondContact O-CB 3.34Å; T677-Y681 PolarHBondContact O-N 2.91Å; T677-Y681 VanDerWaalsContact O-N 3.09Å; T677-M828 WeakPolarHBondContact O-CE 3.37Å; T677-L832 HydrophobicContact CG2-CD1 4.43Å; T677-L832 HydrophobicContact CG2-CD2 3.58Å; T677-M836 HydrophobicContact CG2-CE 3.89Å; T677-Y861 HydrophobicContact CG2-CD1 4.42Å; T677-Y861 HydrophobicContact CG2-CE1 3.48Å; T677-Y861 VanDerWaalsContact CG2-CE1 3.48Å; T677-Y861 HydrophobicContact CG2-CE2 4.39Å; T677-Y861 VanDerWaalsContact CG2-CZ 3.47Å; T677-Y861 VanDerWaalsContact CG2-OH 3.28Å; T677-Y861 WeakPolarHBondContact CG2-OH 3.35Å
678	G	93.6	Very high	92.4	Very high	3 Å²	3	26.2 Å²	26.2	3%	0.031	13%	0.13	C	C	.	.	H	α-helix	trans	-61.3	-49.4	172.9	0	0	0	0	0	113.2	Q674 N675 F680 Y681 F682	Q674-G678 PolarHBondContact O-N 3.33Å; N675-G678 PolarHBondContact O-N 3.49Å; G678-F680 PolarHBondContact O-N 3.23Å; G678-Y681 WeakPolarHBondContact O-CB 3.12Å; G678-Y681 PolarHBondContact O-N 2.89Å; G678-F682 WeakPolarHBondContact O-CD2 3.48Å; G678-F682 PolarHBondContact O-N 3.28Å
679	L	95	Very high	92.6	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-55.2	-54	178.5	174.3	63.3	0	0	0	112	M658 Y662 M665 N675 Y681 F682 C683 A747 L749	M658-L679 HydrophobicContact CB-CD1 4.29Å; Y662-L679 HydrophobicContact CD1-CB 4.3Å; Y662-L679 HydrophobicContact CD2-CB 4Å; Y662-L679 HydrophobicContact CD2-CD1 3.62Å; Y662-L679 HydrophobicContact CD2-CG 4.36Å; Y662-L679 HydrophobicContact CE1-CB 4.46Å; Y662-L679 HydrophobicContact CE2-CB 4.14Å; Y662-L679 HydrophobicContact CE2-CD1 4.27Å; Y662-L679 HydrophobicContact CG-CB 4.07Å; Y662-L679 HydrophobicContact CG-CD1 4.07Å; Y662-L679 HydrophobicContact CG-CG 4.49Å; M665-L679 HydrophobicContact CE-CD2 4.41Å; M665-L679 HydrophobicContact SD-CD2 4.2Å; N675-L679 WeakPolarHBondContact O-CB 3.41Å; N675-L679 PolarHBondContact O-N 2.75Å; L679-Y681 VanDerWaalsContact C-N 3.27Å; L679-Y681 PolarHBondContact O-N 2.86Å; L679-F682 PolarHBondContact O-N 3.19Å; L679-C683 PolarHBondContact O-N 3.21Å; L679-C683 PolarHBondContact O-SG 3.13Å; L679-C683 VanDerWaalsContact O-SG 3.36Å; L679-A747 HydrophobicContact CD2-CB 3.51Å; L679-L749 HydrophobicContact CD2-CD1 4.2Å; L679-L749 HydrophobicContact CD2-CD2 4.25Å; L679-L749 HydrophobicContact CD2-CG 4.41Å
680	F	95.3	Very high	92.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.7	-33.5	179.4	-65.4	-34.7	0	0	0	113	R676 G678 T684 L749 F759 M828 L831 L832 M834 E835	R676-F680 VanDerWaalsContact O-CD2 3.31Å; R676-F680 WeakPolarHBondContact O-CD2 3.32Å; R676-F680 WeakPolarHBondContact O-CG 3.36Å; R676-F680 PolarHBondContact O-N 3.08Å; G678-F680 PolarHBondContact O-N 3.23Å; F680-T684 VanDerWaalsContact O-CB 3.3Å; F680-T684 WeakPolarHBondContact O-CB 3.47Å; F680-T684 PolarHBondContact O-N 3.11Å; F680-T684 PolarHBondContact O-OG1 3.01Å; F680-L749 HydrophobicContact CE1-CD1 3.73Å; F680-L749 HydrophobicContact CE1-CD2 4.09Å; F680-L749 HydrophobicContact CZ-CD1 4.21Å; F680-L749 HydrophobicContact CZ-CD2 3.85Å; F680-F759 HydrophobicContact CD1-CD2 4.46Å; F680-F759 HydrophobicContact CD1-CE2 4.15Å; F680-F759 AromaticContact CE1-CD2 3.97Å; F680-F759 HydrophobicContact CE1-CD2 3.97Å; F680-F759 AromaticContact CE1-CE2 3.91Å; F680-F759 HydrophobicContact CE1-CE2 3.91Å; F680-M828 HydrophobicContact CB-CE 3.99Å; F680-M828 HydrophobicContact CB-SD 3.93Å; F680-L831 HydrophobicContact CB-CB 4.19Å; F680-L831 HydrophobicContact CB-CD1 3.92Å; F680-L831 HydrophobicContact CD1-CB 4Å; F680-L831 HydrophobicContact CD1-CD1 3.95Å; F680-L831 HydrophobicContact CD1-CG 4.42Å; F680-L831 HydrophobicContact CD2-CB 3.78Å; F680-L831 HydrophobicContact CE1-CB 4.3Å; F680-L831 HydrophobicContact CE2-CB 4.09Å; F680-L831 WeakPolarHBondContact CE2-O 3.24Å; F680-L831 HydrophobicContact CG-CB 3.74Å; F680-L831 HydrophobicContact CG-CD1 4.03Å; F680-L831 HydrophobicContact CG-CG 4.48Å; F680-L831 HydrophobicContact CZ-CB 4.34Å; F680-L832 HydrophobicContact CD2-CD2 3.85Å; F680-L832 HydrophobicContact CD2-CG 4.23Å; F680-L832 HydrophobicContact CE2-CD2 4.3Å; F680-M834 HydrophobicContact CZ-CE 4.45Å; F680-E835 HydrophobicContact CE2-CB 3.64Å; F680-E835 HydrophobicContact CE2-CG 4.01Å; F680-E835 HydrophobicContact CZ-CB 3.72Å; F680-E835 HydrophobicContact CZ-CG 3.99Å
681	Y	94.8	Very high	93.3	Very high	14 Å²	14	24 Å²	24	6%	0.055	12%	0.118	C	C	.	.	H	α-helix	trans	-65.1	-45.6	175.5	178.7	-97.7	0	0	0	111.5	T677 G678 L679 T684 L685 M799 F804 L805 M828	T677-Y681 VanDerWaalsContact O-CB 3.25Å; T677-Y681 WeakPolarHBondContact O-CB 3.34Å; T677-Y681 PolarHBondContact O-N 2.91Å; T677-Y681 VanDerWaalsContact O-N 3.09Å; G678-Y681 WeakPolarHBondContact O-CB 3.12Å; G678-Y681 PolarHBondContact O-N 2.89Å; L679-Y681 VanDerWaalsContact C-N 3.27Å; L679-Y681 PolarHBondContact O-N 2.86Å; Y681-T684 PolarHBondContact O-N 3.36Å; Y681-L685 VanDerWaalsContact O-CB 3.28Å; Y681-L685 WeakPolarHBondContact O-CB 3.22Å; Y681-L685 PolarHBondContact O-N 2.84Å; Y681-M799 HydrophobicContact CE2-CG 4.14Å; Y681-M799 WeakPolarHBondContact OH-CG 3.3Å; Y681-M799 PolarHBondContact OH-SD 2.99Å; Y681-F804 AromaticContact CD1-CD1 3.66Å; Y681-F804 HydrophobicContact CD1-CD1 3.66Å; Y681-F804 AromaticContact CD1-CE1 3.73Å; Y681-F804 HydrophobicContact CD1-CE1 3.73Å; Y681-F804 HydrophobicContact CD2-CB 3.66Å; Y681-F804 AromaticContact CD2-CD1 3.45Å; Y681-F804 HydrophobicContact CD2-CD1 3.45Å; Y681-F804 VanDerWaalsContact CD2-CD1 3.45Å; Y681-F804 HydrophobicContact CD2-CE1 4.33Å; Y681-F804 AromaticContact CD2-CG 3.78Å; Y681-F804 HydrophobicContact CD2-CG 3.78Å; Y681-F804 AromaticContact CE1-CD1 3.96Å; Y681-F804 HydrophobicContact CE1-CD1 3.96Å; Y681-F804 HydrophobicContact CE1-CE1 4.14Å; Y681-F804 HydrophobicContact CE2-CB 4.11Å; Y681-F804 AromaticContact CE2-CD1 3.75Å; Y681-F804 HydrophobicContact CE2-CD1 3.75Å; Y681-F804 HydrophobicContact CE2-CG 4.34Å; Y681-F804 HydrophobicContact CG-CB 4.29Å; Y681-F804 AromaticContact CG-CD1 3.38Å; Y681-F804 HydrophobicContact CG-CD1 3.38Å; Y681-F804 AromaticContact CG-CE1 3.82Å; Y681-F804 HydrophobicContact CG-CE1 3.82Å; Y681-F804 AromaticContact CG-CG 3.92Å; Y681-F804 HydrophobicContact CG-CG 3.92Å; Y681-F804 AromaticContact CZ-CD1 3.99Å; Y681-L805 HydrophobicContact CE2-CG 4.34Å; Y681-L805 WeakPolarHBondContact OH-CD1 3.47Å; Y681-M828 WeakPolarHBondContact CA-SD 3.3Å; Y681-M828 PolarHBondContact N-SD 3.05Å; Y681-M828 VanDerWaalsContact N-SD 3.41Å
682	F	94.9	Very high	93.3	Very high	71 Å²	71	24.2 Å²	24.2	31%	0.311	12%	0.117	S	C	.	.	H	α-helix	trans	-67.7	-40.2	176	-70.8	-59.4	0	0	0	112.8	F654 M658 Y662 G678 L679 T684 L685 Q686	F654-F682 HydrophobicContact CZ-CB 4.21Å; F654-F682 WeakPolarHBondContact CZ-O 3.36Å; M658-F682 HydrophobicContact CE-CB 3.83Å; M658-F682 HydrophobicContact CE-CD1 4.34Å; M658-F682 HydrophobicContact CE-CD2 4.35Å; M658-F682 HydrophobicContact CE-CG 3.93Å; M658-F682 HydrophobicContact SD-CB 3.98Å; M658-F682 HydrophobicContact SD-CD2 4.35Å; M658-F682 HydrophobicContact SD-CG 4.31Å; Y662-F682 HydrophobicContact CE2-CD2 4.13Å; Y662-F682 WeakPolarHBondContact OH-CE2 3.47Å; G678-F682 WeakPolarHBondContact O-CD2 3.48Å; G678-F682 PolarHBondContact O-N 3.28Å; L679-F682 PolarHBondContact O-N 3.19Å; F682-T684 PolarHBondContact O-N 3.11Å; F682-L685 HydrophobicContact CD1-CD2 4.05Å; F682-L685 WeakPolarHBondContact O-CB 3.22Å; F682-L685 PolarHBondContact O-N 2.9Å; F682-Q686 PolarHBondContact O-N 3.2Å
683	C	95.3	Very high	93.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.3	-46.3	173.8	-68.5	0	0	0	0	111.4	L679 L685 Q686 V687 L763	L679-C683 PolarHBondContact O-N 3.21Å; L679-C683 PolarHBondContact O-SG 3.13Å; L679-C683 VanDerWaalsContact O-SG 3.36Å; C683-L685 PolarHBondContact O-N 3.36Å; C683-Q686 PolarHBondContact O-N 2.95Å; C683-V687 VanDerWaalsContact O-CB 3.3Å; C683-V687 WeakPolarHBondContact O-CB 3.43Å; C683-V687 WeakPolarHBondContact O-CG2 3.48Å; C683-V687 PolarHBondContact O-N 3.26Å; C683-V687 VanDerWaalsContact O-N 3.09Å; C683-L763 HydrophobicContact CB-CD2 4.33Å
684	T	95.7	Very high	92.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.6	-44.2	175.3	-60.3	0	0	0	0	111.5	F680 Y681 F682 I688 T766 F824 S827	F680-T684 VanDerWaalsContact O-CB 3.3Å; F680-T684 WeakPolarHBondContact O-CB 3.47Å; F680-T684 PolarHBondContact O-N 3.11Å; F680-T684 PolarHBondContact O-OG1 3.01Å; Y681-T684 PolarHBondContact O-N 3.36Å; F682-T684 PolarHBondContact O-N 3.11Å; T684-I688 HydrophobicContact CG2-CD1 3.83Å; T684-I688 VanDerWaalsContact O-CG1 3.31Å; T684-I688 WeakPolarHBondContact O-CG1 3.04Å; T684-I688 PolarHBondContact O-N 2.86Å; T684-I688 VanDerWaalsContact O-N 3.14Å; T684-T766 HydrophobicContact CG2-CG2 4.27Å; T684-F824 HydrophobicContact CG2-CB 4.35Å; T684-F824 HydrophobicContact CG2-CD1 3.48Å; T684-F824 VanDerWaalsContact CG2-CD1 3.48Å; T684-F824 HydrophobicContact CG2-CE1 3.99Å; T684-F824 HydrophobicContact CG2-CG 4.01Å; T684-S827 WeakPolarHBondContact CG2-OG 3.15Å; T684-S827 PolarHBondContact OG1-OG 3.43Å
685	L	94.6	Very high	92.8	Very high	43 Å²	43	19.2 Å²	19.2	23%	0.225	10%	0.103	C	C	.	.	H	α-helix	trans	-57	-53	177.8	178.5	69.9	0	0	0	111.8	Y681 F682 C683 I688 F689 M799 F824	Y681-L685 VanDerWaalsContact O-CB 3.28Å; Y681-L685 WeakPolarHBondContact O-CB 3.22Å; Y681-L685 PolarHBondContact O-N 2.84Å; F682-L685 HydrophobicContact CD1-CD2 4.05Å; F682-L685 WeakPolarHBondContact O-CB 3.22Å; F682-L685 PolarHBondContact O-N 2.9Å; C683-L685 PolarHBondContact O-N 3.36Å; L685-I688 PolarHBondContact O-N 3.26Å; L685-F689 HydrophobicContact CD1-CD2 3.71Å; L685-F689 HydrophobicContact CD1-CE2 3.67Å; L685-F689 HydrophobicContact CD1-CZ 4.47Å; L685-F689 HydrophobicContact CG-CD2 4.46Å; L685-F689 WeakPolarHBondContact O-CD2 3.39Å; L685-F689 PolarHBondContact O-N 3.42Å; L685-M799 HydrophobicContact CD1-CE 3.34Å; L685-M799 HydrophobicContact CD1-SD 4.14Å; L685-F824 HydrophobicContact CB-CE1 4.32Å; L685-F824 HydrophobicContact CD1-CE1 4.26Å; L685-F824 HydrophobicContact CD1-CZ 4.2Å
686	Q	93.7	Very high	92.5	Very high	36 Å²	36	20.9 Å²	20.9	17%	0.168	11%	0.109	C	C	.	.	H	α-helix	trans	-59.5	-50.5	-179.6	178.5	68.7	-2.8	0	0	111.7	V650 Y651 F654 F682 C683 I688 F689 V690	V650-Q686 VanDerWaalsContact CG1-NE2 3.34Å; Y651-Q686 HydrophobicContact CD1-CG 4.48Å; Y651-Q686 HydrophobicContact CE1-CG 4.23Å; F654-Q686 HydrophobicContact CB-CG 4.26Å; F654-Q686 HydrophobicContact CD1-CB 4.16Å; F654-Q686 HydrophobicContact CD1-CG 3.79Å; F654-Q686 HydrophobicContact CD2-CB 3.89Å; F654-Q686 HydrophobicContact CD2-CG 3.65Å; F654-Q686 HydrophobicContact CE1-CB 3.85Å; F654-Q686 HydrophobicContact CE1-CG 4.03Å; F654-Q686 HydrophobicContact CE2-CB 3.56Å; F654-Q686 HydrophobicContact CE2-CG 3.89Å; F654-Q686 HydrophobicContact CG-CB 4.18Å; F654-Q686 HydrophobicContact CG-CG 3.6Å; F654-Q686 HydrophobicContact CZ-CB 3.55Å; F654-Q686 HydrophobicContact CZ-CG 4.08Å; F682-Q686 PolarHBondContact O-N 3.2Å; C683-Q686 PolarHBondContact O-N 2.95Å; Q686-I688 PolarHBondContact O-N 3.15Å; Q686-F689 PolarHBondContact O-N 3.46Å; Q686-V690 HydrophobicContact CG-CG2 4.34Å; Q686-V690 WeakPolarHBondContact O-CG2 3.16Å; Q686-V690 PolarHBondContact O-N 3.05Å
687	V	94.6	Very high	92.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.4	-25.5	-176.2	169	0	0	0	0	112.4	Y651 C683 N691 I736 M740 L763 T766 T767	Y651-V687 HydrophobicContact CE1-CG2 4.23Å; C683-V687 VanDerWaalsContact O-CB 3.3Å; C683-V687 WeakPolarHBondContact O-CB 3.43Å; C683-V687 WeakPolarHBondContact O-CG2 3.48Å; C683-V687 PolarHBondContact O-N 3.26Å; C683-V687 VanDerWaalsContact O-N 3.09Å; V687-N691 PolarHBondContact O-ND2 3.36Å; V687-N691 VanDerWaalsContact O-ND2 3.13Å; V687-I736 HydrophobicContact CG1-CD1 3.83Å; V687-I736 HydrophobicContact CG2-CD1 4.24Å; V687-I736 HydrophobicContact CG2-CG1 4.47Å; V687-M740 HydrophobicContact CG2-CE 3.89Å; V687-L763 VanDerWaalsContact CG1-O 3.27Å; V687-L763 WeakPolarHBondContact CG1-O 3.43Å; V687-L763 HydrophobicContact CG2-CD2 4.31Å; V687-T766 HydrophobicContact CG1-CG2 3.99Å; V687-T767 PolarHBondContact O-OG1 3.21Å
688	I	95.3	Very high	92	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-83.1	-52	171.9	-68.1	172.6	0	0	0	111.2	T684 L685 Q686 V690 N691 T766 A770 Y795 I823 F824	T684-I688 HydrophobicContact CG2-CD1 3.83Å; T684-I688 VanDerWaalsContact O-CG1 3.31Å; T684-I688 WeakPolarHBondContact O-CG1 3.04Å; T684-I688 PolarHBondContact O-N 2.86Å; T684-I688 VanDerWaalsContact O-N 3.14Å; L685-I688 PolarHBondContact O-N 3.26Å; Q686-I688 PolarHBondContact O-N 3.15Å; I688-V690 PolarHBondContact O-N 3.23Å; I688-N691 WeakPolarHBondContact O-CB 3.33Å; I688-N691 PolarHBondContact O-N 3.12Å; I688-N691 VanDerWaalsContact O-N 3.12Å; I688-N691 PolarHBondContact O-ND2 2.96Å; I688-T766 HydrophobicContact CD1-CG2 3.93Å; I688-T766 HydrophobicContact CG1-CG2 3.64Å; I688-A770 HydrophobicContact CB-CB 4.34Å; I688-A770 HydrophobicContact CG1-CB 4.2Å; I688-A770 HydrophobicContact CG2-CB 4.13Å; I688-Y795 HydrophobicContact CG2-CD1 3.89Å; I688-Y795 HydrophobicContact CG2-CD2 3.63Å; I688-Y795 HydrophobicContact CG2-CE1 4Å; I688-Y795 HydrophobicContact CG2-CE2 3.74Å; I688-Y795 HydrophobicContact CG2-CG 3.71Å; I688-I823 HydrophobicContact CD1-CB 4.33Å; I688-I823 HydrophobicContact CD1-CG2 3.81Å; I688-I823 HydrophobicContact CG1-CG2 4.34Å; I688-F824 HydrophobicContact CB-CZ 4.42Å; I688-F824 HydrophobicContact CD1-CD1 4.16Å; I688-F824 HydrophobicContact CD1-CD2 3.55Å; I688-F824 HydrophobicContact CD1-CE1 4.02Å; I688-F824 HydrophobicContact CD1-CE2 3.4Å; I688-F824 HydrophobicContact CD1-CG 3.93Å; I688-F824 HydrophobicContact CD1-CZ 3.65Å; I688-F824 HydrophobicContact CG2-CE2 4.23Å; I688-F824 HydrophobicContact CG2-CZ 4.4Å
689	F	92.8	Very high	91.8	Very high	56 Å²	56	24.5 Å²	24.5	25%	0.246	13%	0.127	C	C	.	.	H	α-helix	trans	-69.8	-25.5	-170.8	-87.6	-107.8	0	0	0	114.5	L685 Q686 N691 L692 Y795 V796 M799 F824	L685-F689 HydrophobicContact CD1-CD2 3.71Å; L685-F689 HydrophobicContact CD1-CE2 3.67Å; L685-F689 HydrophobicContact CD1-CZ 4.47Å; L685-F689 HydrophobicContact CG-CD2 4.46Å; L685-F689 WeakPolarHBondContact O-CD2 3.39Å; L685-F689 PolarHBondContact O-N 3.42Å; Q686-F689 PolarHBondContact O-N 3.46Å; F689-N691 PolarHBondContact O-N 3.1Å; F689-L692 HydrophobicContact CD1-CD1 3.89Å; F689-L692 HydrophobicContact CE1-CD1 4.45Å; F689-L692 WeakPolarHBondContact O-CB 3.02Å; F689-L692 WeakPolarHBondContact O-CG 3.27Å; F689-L692 PolarHBondContact O-N 3.04Å; F689-Y795 HydrophobicContact CD2-CD2 4.31Å; F689-Y795 HydrophobicContact CE2-CD2 4.27Å; F689-Y795 HydrophobicContact CE2-CG 4.46Å; F689-Y795 HydrophobicContact CZ-CD2 4.49Å; F689-V796 HydrophobicContact CZ-CG2 4.2Å; F689-M799 HydrophobicContact CE2-CE 3.46Å; F689-M799 VanDerWaalsContact CE2-CE 3.46Å; F689-M799 HydrophobicContact CZ-CE 3.56Å; F689-F824 HydrophobicContact CE2-CZ 4.29Å
690	V	90.8	Very high	91.3	Very high	18 Å²	18	30 Å²	30	11%	0.109	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-59.7	-14.9	171.6	170.5	0	0	0	0	112.8	Q647 Y651 Q686 I688 L692 K732	Q647-V690 HydrophobicContact CG-CG1 4.38Å; Y651-V690 HydrophobicContact CE1-CG2 4.46Å; Y651-V690 HydrophobicContact CE2-CB 4.42Å; Y651-V690 HydrophobicContact CE2-CG1 3.75Å; Y651-V690 HydrophobicContact CE2-CG2 4.4Å; Q686-V690 HydrophobicContact CG-CG2 4.34Å; Q686-V690 WeakPolarHBondContact O-CG2 3.16Å; Q686-V690 PolarHBondContact O-N 3.05Å; I688-V690 PolarHBondContact O-N 3.23Å; V690-L692 VanDerWaalsContact C-N 3.31Å; V690-L692 PolarHBondContact O-N 3.18Å; V690-K732 PolarHBondContact O-NZ 3.02Å; V690-K732 VanDerWaalsContact O-NZ 3.1Å
691	N	91.9	Very high	91	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-77.8	-8	174.8	-68.8	-67.5	0	0	0	114.8	V687 I688 F689 A693 T694 K732 T767 A770 A774	V687-N691 PolarHBondContact O-ND2 3.36Å; V687-N691 VanDerWaalsContact O-ND2 3.13Å; I688-N691 WeakPolarHBondContact O-CB 3.33Å; I688-N691 PolarHBondContact O-N 3.12Å; I688-N691 VanDerWaalsContact O-N 3.12Å; I688-N691 PolarHBondContact O-ND2 2.96Å; F689-N691 PolarHBondContact O-N 3.1Å; N691-A693 VanDerWaalsContact C-N 3.3Å; N691-A693 PolarHBondContact O-N 3.1Å; N691-T694 WeakPolarHBondContact O-CB 3.46Å; N691-T694 PolarHBondContact O-N 3.05Å; N691-K732 WeakPolarHBondContact OD1-CD 3.32Å; N691-K732 WeakPolarHBondContact OD1-CE 3.39Å; N691-T767 PolarHBondContact ND2-O 2.65Å; N691-T767 PolarHBondContact ND2-OG1 2.99Å; N691-A770 HydrophobicContact CB-CB 4.45Å; N691-A774 HydrophobicContact CB-CB 4.49Å
692	L	90.7	Very high	90.7	Very high	36 Å²	36	32.1 Å²	32.1	19%	0.188	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-62.9	-34.8	172.6	-64.4	176.6	0	0	0	112.3	F689 V690 T694 I695 I791 Y795	F689-L692 HydrophobicContact CD1-CD1 3.89Å; F689-L692 HydrophobicContact CE1-CD1 4.45Å; F689-L692 WeakPolarHBondContact O-CB 3.02Å; F689-L692 WeakPolarHBondContact O-CG 3.27Å; F689-L692 PolarHBondContact O-N 3.04Å; V690-L692 VanDerWaalsContact C-N 3.31Å; V690-L692 PolarHBondContact O-N 3.18Å; L692-T694 PolarHBondContact O-N 3.44Å; L692-I695 HydrophobicContact CB-CD1 4.4Å; L692-I695 HydrophobicContact CD2-CD1 3.96Å; L692-I695 WeakPolarHBondContact O-CB 3.33Å; L692-I695 VanDerWaalsContact O-CD1 3.31Å; L692-I695 WeakPolarHBondContact O-CD1 3.25Å; L692-I695 WeakPolarHBondContact O-CG1 3.25Å; L692-I695 PolarHBondContact O-N 2.82Å; L692-I791 HydrophobicContact CD2-CB 4.2Å; L692-I791 HydrophobicContact CD2-CG2 3.63Å; L692-Y795 HydrophobicContact CD2-CD2 4.3Å; L692-Y795 HydrophobicContact CD2-CE2 4.11Å; L692-Y795 HydrophobicContact CG-CE2 4.48Å
693	A	86	Confident	90.3	Very high	53 Å²	53	32.7 Å²	32.7	44%	0.438	17%	0.17	S	C	.	.	H	α-helix	trans	-64	-24.4	177	0	0	0	0	0	113.7	N691 I695	N691-A693 VanDerWaalsContact C-N 3.3Å; N691-A693 PolarHBondContact O-N 3.1Å; A693-I695 VanDerWaalsContact C-N 3.25Å; A693-I695 PolarHBondContact O-N 2.79Å
694	T	86.2	Confident	90	Very high	8 Å²	8	33.7 Å²	33.7	5%	0.049	18%	0.175	C	C	.	.	H	α-helix	trans	-71.4	-20.9	179.8	-63.3	0	0	0	0	112.7	N691 L692 F698 K732 L775	N691-T694 WeakPolarHBondContact O-CB 3.46Å; N691-T694 PolarHBondContact O-N 3.05Å; L692-T694 PolarHBondContact O-N 3.44Å; T694-F698 WeakPolarHBondContact O-CB 3.37Å; T694-F698 PolarHBondContact O-N 3.24Å; T694-K732 WeakPolarHBondContact OG1-CE 3.48Å; T694-K732 PolarHBondContact OG1-NZ 2.92Å; T694-L775 HydrophobicContact CG2-CD2 4.26Å
695	I	88.5	Confident	89.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.5	-49.7	179.4	-55.8	168	0	0	0	110.6	L692 A693 F698 I699 F784 A787 N788 I791	L692-I695 HydrophobicContact CB-CD1 4.4Å; L692-I695 HydrophobicContact CD2-CD1 3.96Å; L692-I695 WeakPolarHBondContact O-CB 3.33Å; L692-I695 VanDerWaalsContact O-CD1 3.31Å; L692-I695 WeakPolarHBondContact O-CD1 3.25Å; L692-I695 WeakPolarHBondContact O-CG1 3.25Å; L692-I695 PolarHBondContact O-N 2.82Å; A693-I695 VanDerWaalsContact C-N 3.25Å; A693-I695 PolarHBondContact O-N 2.79Å; I695-F698 PolarHBondContact O-N 3.45Å; I695-I699 HydrophobicContact CG2-CD1 3.83Å; I695-I699 WeakPolarHBondContact O-CB 3.17Å; I695-I699 VanDerWaalsContact O-CG1 3.31Å; I695-I699 WeakPolarHBondContact O-CG1 3.47Å; I695-I699 PolarHBondContact O-N 3.02Å; I695-F784 HydrophobicContact CB-CD2 4.28Å; I695-F784 HydrophobicContact CB-CE2 4.17Å; I695-F784 HydrophobicContact CG2-CD2 3.77Å; I695-F784 HydrophobicContact CG2-CE2 4.11Å; I695-A787 HydrophobicContact CG2-CB 3.72Å; I695-N788 HydrophobicContact CD1-CB 4.18Å; I695-I791 HydrophobicContact CD1-CB 4.36Å; I695-I791 HydrophobicContact CD1-CD1 3.37Å; I695-I791 HydrophobicContact CD1-CG1 4.45Å; I695-I791 HydrophobicContact CG1-CD1 3.54Å
696	E	86.5	Confident	89.5	Confident	84 Å²	84	34.5 Å²	34.5	39%	0.393	18%	0.179	S	C	.	.	H	α-helix	trans	-65.9	-47.4	-176	-165.7	-171.5	150.6	0	0	111.6	F698 I699 K700 F784	E696-F698 VanDerWaalsContact C-N 3.34Å; E696-F698 PolarHBondContact O-N 3.48Å; E696-I699 PolarHBondContact O-N 3.15Å; E696-K700 HydrophobicContact CG-CD 4.35Å; E696-K700 WeakPolarHBondContact O-CG 3.48Å; E696-K700 PolarHBondContact O-N 3.37Å; E696-K700 VanDerWaalsContact OE1-CE 3.31Å; E696-K700 WeakPolarHBondContact OE1-CE 3.12Å; E696-K700 IonicContact OE1-NZ 2.67Å; E696-K700 PolarHBondContact OE1-NZ 3.16Å; E696-F784 HydrophobicContact CB-CD2 3.95Å; E696-F784 HydrophobicContact CB-CE2 3.78Å; E696-F784 HydrophobicContact CG-CD2 4.33Å; E696-F784 HydrophobicContact CG-CE2 4.39Å
697	L	85.7	Confident	89.2	Confident	60 Å²	60	33.3 Å²	33.3	31%	0.314	17%	0.173	S	C	.	.	H	α-helix	trans	-58.1	-46	178.1	-63.5	173	0	0	0	111.2	A643 K700 E701	A643-L697 HydrophobicContact CB-CD1 4.31Å; A643-L697 HydrophobicContact CB-CD2 4.49Å; L697-K700 PolarHBondContact O-N 3.32Å; L697-E701 PolarHBondContact O-N 3.38Å
698	F	89.9	Confident	89	Confident	4 Å²	4	33.6 Å²	33.6	2%	0.018	18%	0.175	C	C	.	.	H	α-helix	trans	-68.5	-38.7	179.7	-170.7	-95.8	0	0	0	112.8	T694 I695 E696 E701 R702 Y719 L775 A779 L897	T694-F698 WeakPolarHBondContact O-CB 3.37Å; T694-F698 PolarHBondContact O-N 3.24Å; I695-F698 PolarHBondContact O-N 3.45Å; E696-F698 VanDerWaalsContact C-N 3.34Å; E696-F698 PolarHBondContact O-N 3.48Å; F698-E701 PolarHBondContact O-N 2.75Å; F698-R702 WeakPolarHBondContact O-CB 3.38Å; F698-R702 PolarHBondContact O-N 3.31Å; F698-Y719 HydrophobicContact CE2-CE1 4.24Å; F698-L775 HydrophobicContact CB-CD2 4.23Å; F698-L775 HydrophobicContact CD1-CD2 4.46Å; F698-L775 HydrophobicContact CD2-CD2 3.38Å; F698-L775 HydrophobicContact CE2-CD2 3.73Å; F698-L775 HydrophobicContact CG-CD2 3.77Å; F698-L775 HydrophobicContact CZ-CD2 4.38Å; F698-A779 HydrophobicContact CE1-CB 4.07Å; F698-A779 HydrophobicContact CZ-CB 4.47Å; F698-L897 HydrophobicContact CZ-CD1 4.29Å; F698-L897 HydrophobicContact CZ-CD2 4.09Å
699	I	89.3	Confident	88.5	Confident	28 Å²	28	33.9 Å²	33.9	14%	0.144	18%	0.177	C	C	.	.	H	α-helix	trans	-65.9	-39.7	177.6	-71.5	173.3	0	0	0	111.1	I695 E696 R702 F784 A787	I695-I699 HydrophobicContact CG2-CD1 3.83Å; I695-I699 WeakPolarHBondContact O-CB 3.17Å; I695-I699 VanDerWaalsContact O-CG1 3.31Å; I695-I699 WeakPolarHBondContact O-CG1 3.47Å; I695-I699 PolarHBondContact O-N 3.02Å; E696-I699 PolarHBondContact O-N 3.15Å; I699-R702 PolarHBondContact O-N 3.36Å; I699-F784 HydrophobicContact CD1-CB 4.21Å; I699-A787 HydrophobicContact CD1-CB 4.23Å
700	K	85.5	Confident	88	Confident	119 Å²	119	32.2 Å²	32.2	52%	0.517	17%	0.172	S	C	.	.	H	α-helix	trans	-63.6	-50.8	174	-73.1	174.6	171.6	175.5	0	111.7	E696 L697 R702 V703	E696-K700 HydrophobicContact CG-CD 4.35Å; E696-K700 WeakPolarHBondContact O-CG 3.48Å; E696-K700 PolarHBondContact O-N 3.37Å; E696-K700 VanDerWaalsContact OE1-CE 3.31Å; E696-K700 WeakPolarHBondContact OE1-CE 3.12Å; E696-K700 IonicContact OE1-NZ 2.67Å; E696-K700 PolarHBondContact OE1-NZ 3.16Å; L697-K700 PolarHBondContact O-N 3.32Å; K700-R702 VanDerWaalsContact C-N 3.3Å; K700-R702 PolarHBondContact O-N 2.7Å; K700-V703 PolarHBondContact O-N 3.2Å
701	E	87.9	Confident	87.6	Confident	40 Å²	40	31.4 Å²	31.4	19%	0.187	17%	0.168	C	C	.	.	H	α-helix	trans	-64.6	-29.8	178	-79.7	-179.1	-140.6	0	0	114	L697 F698 V703 L704 F705 K723	L697-E701 PolarHBondContact O-N 3.38Å; F698-E701 PolarHBondContact O-N 2.75Å; E701-V703 PolarHBondContact O-N 2.88Å; E701-L704 WeakPolarHBondContact O-CB 3.46Å; E701-L704 PolarHBondContact O-N 3.06Å; E701-L704 VanDerWaalsContact O-N 3.08Å; E701-F705 PolarHBondContact O-N 3.31Å; E701-K723 IonicContact OE1-NZ 3.52Å; E701-K723 PolarHBondContact OE1-NZ 3.34Å; E701-K723 WeakPolarHBondContact OE2-CD 3.31Å; E701-K723 WeakPolarHBondContact OE2-CE 3.25Å; E701-K723 IonicContact OE2-NZ 3.46Å; E701-K723 PolarHBondContact OE2-NZ 3.04Å
702	R	89	Confident	87.1	Confident	17 Å²	17	32 Å²	32	6%	0.064	17%	0.174	C	C	.	.	H	α-helix	trans	-58.7	-29.9	179	175.2	174.9	166.7	-166.1	-6.3	112.5	F698 I699 K700 I706 S778 A779 V781	F698-R702 WeakPolarHBondContact O-CB 3.38Å; F698-R702 PolarHBondContact O-N 3.31Å; I699-R702 PolarHBondContact O-N 3.36Å; K700-R702 VanDerWaalsContact C-N 3.3Å; K700-R702 PolarHBondContact O-N 2.7Å; R702-I706 HydrophobicContact CG-CD1 3.91Å; R702-I706 HydrophobicContact CG-CG1 4.46Å; R702-I706 WeakPolarHBondContact O-CB 3.43Å; R702-I706 WeakPolarHBondContact O-CD1 3.33Å; R702-I706 VanDerWaalsContact O-CG1 3.24Å; R702-I706 WeakPolarHBondContact O-CG1 3.14Å; R702-I706 PolarHBondContact O-N 3.45Å; R702-S778 PolarHBondContact NH1-O 3.13Å; R702-A779 PolarHBondContact NH1-O 2.93Å; R702-A779 PolarHBondContact NH2-O 2.66Å; R702-V781 PolarHBondContact NH1-O 3.38Å
703	V	86.9	Confident	87	Confident	84 Å²	84	30.4 Å²	30.4	51%	0.509	17%	0.165	S	C	.	.	H	α-helix	trans	-66.2	-47.4	174.8	-178.3	0	0	0	0	110.9	I372 K700 E701 I706 H707	I372-V703 HydrophobicContact CD1-CG1 3.99Å; I372-V703 HydrophobicContact CG1-CG1 4.48Å; K700-V703 PolarHBondContact O-N 3.2Å; E701-V703 PolarHBondContact O-N 2.88Å; V703-I706 PolarHBondContact O-N 3.42Å; V703-H707 PolarHBondContact O-N 3.02Å; V703-H707 VanDerWaalsContact O-N 3.07Å
704	L	88.9	Confident	87.1	Confident	21 Å²	21	27.9 Å²	27.9	11%	0.11	15%	0.145	C	C	.	.	H	α-helix	trans	-60.7	-46	174.1	176.7	64.9	0	0	0	111.4	I372 M374 E701 I706 H707 E708	I372-L704 HydrophobicContact CG2-CB 4.22Å; I372-L704 HydrophobicContact CG2-CD1 3.67Å; M374-L704 HydrophobicContact SD-CD2 3.45Å; M374-L704 WeakPolarHBondContact SD-CD2 3.04Å; E701-L704 WeakPolarHBondContact O-CB 3.46Å; E701-L704 PolarHBondContact O-N 3.06Å; E701-L704 VanDerWaalsContact O-N 3.08Å; L704-I706 PolarHBondContact O-N 2.83Å; L704-H707 PolarHBondContact O-N 3.1Å; L704-E708 HydrophobicContact CD1-CG 3.92Å; L704-E708 HydrophobicContact CG-CG 4.37Å; L704-E708 WeakPolarHBondContact O-CB 3.48Å; L704-E708 WeakPolarHBondContact O-CG 3.27Å; L704-E708 PolarHBondContact O-N 2.86Å
705	F	91.1	Very high	87.3	Confident	3 Å²	3	30.9 Å²	30.9	1%	0.013	16%	0.158	C	C	.	.	H	α-helix	trans	-58	-45.2	176.6	163.5	-105.5	0	0	0	112.9	E701 S709 Y714 V716 Y719 L897 L900	E701-F705 PolarHBondContact O-N 3.31Å; F705-S709 WeakPolarHBondContact O-CB 3.43Å; F705-S709 PolarHBondContact O-N 3.12Å; F705-Y714 AromaticContact CD2-CE2 3.91Å; F705-Y714 HydrophobicContact CD2-CE2 3.91Å; F705-Y714 HydrophobicContact CE2-CE2 4.18Å; F705-V716 HydrophobicContact CZ-CB 4.35Å; F705-V716 HydrophobicContact CZ-CG1 3.97Å; F705-V716 HydrophobicContact CZ-CG2 4.05Å; F705-Y719 HydrophobicContact CB-CD1 4.45Å; F705-Y719 HydrophobicContact CB-CD2 4.27Å; F705-Y719 HydrophobicContact CB-CE1 4.14Å; F705-Y719 HydrophobicContact CB-CE2 3.96Å; F705-Y719 HydrophobicContact CD1-CD1 4.45Å; F705-Y719 HydrophobicContact CD1-CE1 4.37Å; F705-Y719 AromaticContact CD2-CD1 3.35Å; F705-Y719 HydrophobicContact CD2-CD1 3.35Å; F705-Y719 AromaticContact CD2-CD2 3.75Å; F705-Y719 HydrophobicContact CD2-CD2 3.75Å; F705-Y719 AromaticContact CD2-CE1 3.87Å; F705-Y719 HydrophobicContact CD2-CE1 3.87Å; F705-Y719 HydrophobicContact CD2-CE2 4.23Å; F705-Y719 AromaticContact CD2-CG 3.29Å; F705-Y719 HydrophobicContact CD2-CG 3.29Å; F705-Y719 AromaticContact CE2-CD1 3.63Å; F705-Y719 HydrophobicContact CE2-CD1 3.63Å; F705-Y719 HydrophobicContact CE2-CE1 4.44Å; F705-Y719 AromaticContact CE2-CG 3.73Å; F705-Y719 HydrophobicContact CE2-CG 3.73Å; F705-Y719 AromaticContact CG-CD1 3.82Å; F705-Y719 HydrophobicContact CG-CD1 3.82Å; F705-Y719 HydrophobicContact CG-CD2 4.31Å; F705-Y719 AromaticContact CG-CE1 3.83Å; F705-Y719 HydrophobicContact CG-CE1 3.83Å; F705-Y719 HydrophobicContact CG-CE2 4.34Å; F705-Y719 HydrophobicContact CG-CG 4.07Å; F705-Y719 HydrophobicContact CZ-CD1 4.3Å; F705-L897 HydrophobicContact CD1-CD2 4.47Å; F705-L897 HydrophobicContact CE1-CD2 4.03Å; F705-L900 HydrophobicContact CE1-CD1 4.39Å
706	I	88.2	Confident	87.4	Confident	56 Å²	56	31.7 Å²	31.7	29%	0.287	16%	0.163	S	C	.	.	H	α-helix	trans	-63.2	-44.6	178	-72.3	165.5	0	0	0	110.1	R702 V703 L704 S710 L900	R702-I706 HydrophobicContact CG-CD1 3.91Å; R702-I706 HydrophobicContact CG-CG1 4.46Å; R702-I706 WeakPolarHBondContact O-CB 3.43Å; R702-I706 WeakPolarHBondContact O-CD1 3.33Å; R702-I706 VanDerWaalsContact O-CG1 3.24Å; R702-I706 WeakPolarHBondContact O-CG1 3.14Å; R702-I706 PolarHBondContact O-N 3.45Å; V703-I706 PolarHBondContact O-N 3.42Å; L704-I706 PolarHBondContact O-N 2.83Å; I706-S710 VanDerWaalsContact O-CB 3.22Å; I706-S710 WeakPolarHBondContact O-CB 3.29Å; I706-S710 PolarHBondContact O-N 3.34Å; I706-S710 PolarHBondContact O-OG 3.34Å; I706-L900 HydrophobicContact CD1-CD1 4.42Å
707	H	88.2	Confident	87.8	Confident	11 Å²	11	28.3 Å²	28.3	5%	0.051	15%	0.149	C	C	.	.	H	α-helix	trans	-58.5	-58.2	176.2	177.9	78.8	0	0	0	111.5	I372 V703 L704 S709 S710 S711	I372-H707 HydrophobicContact CB-CB 4.44Å; I372-H707 HydrophobicContact CD1-CB 3.85Å; I372-H707 HydrophobicContact CG2-CB 3.89Å; V703-H707 PolarHBondContact O-N 3.02Å; V703-H707 VanDerWaalsContact O-N 3.07Å; L704-H707 PolarHBondContact O-N 3.1Å; H707-S709 PolarHBondContact O-N 3.34Å; H707-S710 WeakPolarHBondContact O-CB 3.44Å; H707-S710 PolarHBondContact O-N 3.02Å; H707-S710 PolarHBondContact O-OG 2.81Å; H707-S711 PolarHBondContact O-N 3.49Å
708	E	89.4	Confident	88.1	Confident	6 Å²	6	25.5 Å²	25.5	3%	0.028	13%	0.134	C	C	.	.	H	α-helix	trans	-63.4	-38.7	-176.2	-68.6	-176.3	142	0	0	113	F385 R632 L704 S710 S711 G712 Y713 Y714	F385-E708 WeakPolarHBondContact CE1-OE1 3.28Å; R632-E708 IonicContact CZ-OE1 3.4Å; R632-E708 IonicContact CZ-OE2 3.28Å; R632-E708 IonicContact NH1-OE1 3.36Å; R632-E708 PolarHBondContact NH1-OE1 3.47Å; R632-E708 IonicContact NH1-OE2 2.67Å; R632-E708 PolarHBondContact NH1-OE2 3.37Å; R632-E708 IonicContact NH2-OE1 3.17Å; R632-E708 IonicContact NH2-OE2 2.9Å; R632-E708 PolarHBondContact NH2-OE2 3.26Å; L704-E708 HydrophobicContact CD1-CG 3.92Å; L704-E708 HydrophobicContact CG-CG 4.37Å; L704-E708 WeakPolarHBondContact O-CB 3.48Å; L704-E708 WeakPolarHBondContact O-CG 3.27Å; L704-E708 PolarHBondContact O-N 2.86Å; E708-S710 VanDerWaalsContact C-N 3.27Å; E708-S710 PolarHBondContact O-N 3.06Å; E708-S711 PolarHBondContact O-N 2.91Å; E708-G712 PolarHBondContact O-N 3.04Å; E708-Y713 HydrophobicContact CB-CD2 4.08Å; E708-Y713 HydrophobicContact CB-CG 4.11Å; E708-Y713 HydrophobicContact CG-CD2 4.36Å; E708-Y713 HydrophobicContact CG-CG 4.37Å; E708-Y713 WeakPolarHBondContact O-CD2 3.33Å; E708-Y713 PolarHBondContact O-N 2.92Å; E708-Y714 HydrophobicContact CB-CE1 3.91Å; E708-Y714 VanDerWaalsContact OE2-CE1 3.23Å; E708-Y714 WeakPolarHBondContact OE2-CE1 3.39Å; E708-Y714 VanDerWaalsContact OE2-CZ 3.29Å; E708-Y714 PolarHBondContact OE2-OH 3.49Å
709	S	85.4	Confident	88.3	Confident	8 Å²	8	25.9 Å²	25.9	6%	0.056	14%	0.135	C	C	.	.	H	α-helix	trans	-81.2	-3.9	177.1	-151.3	0	0	0	0	113.3	F705 H707 Y714 K902	F705-S709 WeakPolarHBondContact O-CB 3.43Å; F705-S709 PolarHBondContact O-N 3.12Å; H707-S709 PolarHBondContact O-N 3.34Å; S709-Y714 PolarHBondContact OG-O 3.22Å; S709-K902 PolarHBondContact O-NZ 3.24Å; S709-K902 PolarHBondContact OG-NZ 3.38Å
710	S	81.2	Confident	88.6	Confident	21 Å²	21	25.4 Å²	25.4	15%	0.147	13%	0.132	C	C	.	.	H	α-helix	trans	-93	-35.7	166.2	78.6	0	0	0	0	112.5	I706 H707 E708 G712	I706-S710 VanDerWaalsContact O-CB 3.22Å; I706-S710 WeakPolarHBondContact O-CB 3.29Å; I706-S710 PolarHBondContact O-N 3.34Å; I706-S710 PolarHBondContact O-OG 3.34Å; H707-S710 WeakPolarHBondContact O-CB 3.44Å; H707-S710 PolarHBondContact O-N 3.02Å; H707-S710 PolarHBondContact O-OG 2.81Å; E708-S710 VanDerWaalsContact C-N 3.27Å; E708-S710 PolarHBondContact O-N 3.06Å; S710-G712 VanDerWaalsContact C-N 3.28Å
711	S	83.1	Confident	89	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.007	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	2.8	173.1	-60.9	0	0	0	0	113.6	R339 H707 E708	R339-S711 PolarHBondContact NH2-OG 3.42Å; H707-S711 PolarHBondContact O-N 3.49Å; E708-S711 PolarHBondContact O-N 2.91Å
712	G	81.6	Confident	89.3	Confident	13 Å²	13	22.4 Å²	22.4	13%	0.134	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	23.3	168.9	0	0	0	0	0	116.6	F618 E708 S710	F618-G712 WeakPolarHBondContact CD1-O 3.29Å; E708-G712 PolarHBondContact O-N 3.04Å; S710-G712 VanDerWaalsContact C-N 3.28Å
713	Y	87.9	Confident	89.5	Confident	2 Å²	2	22 Å²	22	1%	0.008	12%	0.117	C	C	.	.	S	Bend	trans	-64.7	-44.5	-179.7	-76.4	-114.7	0	0	0	112.7	F385 L389 R390 E708	F385-Y713 HydrophobicContact CD1-CD1 4.41Å; F385-Y713 HydrophobicContact CE1-CD1 4.1Å; L389-Y713 HydrophobicContact CD1-CD1 4.22Å; R390-Y713 HydrophobicContact CG-CD1 4.28Å; R390-Y713 HydrophobicContact CG-CD2 4.47Å; R390-Y713 HydrophobicContact CG-CE1 4.5Å; R390-Y713 HydrophobicContact CG-CG 4.26Å; R390-Y713 VanDerWaalsContact NH1-CE2 3.31Å; R390-Y713 VanDerWaalsContact NH1-CZ 3.34Å; R390-Y713 PolarHBondContact NH1-OH 3Å; E708-Y713 HydrophobicContact CB-CD2 4.08Å; E708-Y713 HydrophobicContact CB-CG 4.11Å; E708-Y713 HydrophobicContact CG-CD2 4.36Å; E708-Y713 HydrophobicContact CG-CG 4.37Å; E708-Y713 WeakPolarHBondContact O-CD2 3.33Å; E708-Y713 PolarHBondContact O-N 2.92Å
714	Y	89.8	Confident	89.8	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	-158.1	164.2	-177	52.1	-107.5	0	0	0	113.1	F385 L389 F618 Q625 V629 F705 E708 S709 Y719	F385-Y714 HydrophobicContact CZ-CD1 4.48Å; F385-Y714 HydrophobicContact CZ-CE1 4.26Å; L389-Y714 HydrophobicContact CD1-CD1 4.04Å; F618-Y714 WeakPolarHBondContact CE1-O 3.31Å; Q625-Y714 VanDerWaalsContact OE1-CA 3.23Å; V629-Y714 HydrophobicContact CG2-CD1 3.64Å; V629-Y714 HydrophobicContact CG2-CE1 4.09Å; V629-Y714 HydrophobicContact CG2-CG 4.08Å; F705-Y714 AromaticContact CD2-CE2 3.91Å; F705-Y714 HydrophobicContact CD2-CE2 3.91Å; F705-Y714 HydrophobicContact CE2-CE2 4.18Å; E708-Y714 HydrophobicContact CB-CE1 3.91Å; E708-Y714 VanDerWaalsContact OE2-CE1 3.23Å; E708-Y714 WeakPolarHBondContact OE2-CE1 3.39Å; E708-Y714 VanDerWaalsContact OE2-CZ 3.29Å; E708-Y714 PolarHBondContact OE2-OH 3.49Å; S709-Y714 PolarHBondContact OG-O 3.22Å; Y714-Y719 HydrophobicContact CE2-CD2 4.42Å; Y714-Y719 HydrophobicContact CE2-CG 4.36Å
715	Q	89	Confident	89.9	Confident	71 Å²	71	22.1 Å²	22.1	33%	0.332	12%	0.115	S	C	.	.			trans	-73.8	152.2	175.9	-64.8	-177.9	2.9	0	0	112.9	F618 S717 V718 Y719	F618-Q715 HydrophobicContact CD2-CG 3.79Å; F618-Q715 HydrophobicContact CE1-CG 4.26Å; F618-Q715 HydrophobicContact CE2-CG 3.51Å; F618-Q715 HydrophobicContact CG-CG 4.31Å; F618-Q715 HydrophobicContact CZ-CG 3.77Å; Q715-S717 VanDerWaalsContact C-N 3.26Å; Q715-S717 PolarHBondContact O-N 3.33Å; Q715-S717 PolarHBondContact OE1-OG 3.2Å; Q715-V718 HydrophobicContact CB-CG2 4.23Å; Q715-V718 WeakPolarHBondContact O-CB 3.46Å; Q715-V718 PolarHBondContact O-N 2.88Å; Q715-V718 VanDerWaalsContact O-N 3.07Å; Q715-Y719 PolarHBondContact O-N 3.37Å
716	V	91.9	Very high	90	Very high	17 Å²	17	22.7 Å²	22.7	10%	0.103	12%	0.119	C	C	.	.	H	α-helix	trans	-57.8	-38.5	178.3	179.2	0	0	0	0	112.2	F705 Y719 F720 Y894 L897	F705-V716 HydrophobicContact CZ-CB 4.35Å; F705-V716 HydrophobicContact CZ-CG1 3.97Å; F705-V716 HydrophobicContact CZ-CG2 4.05Å; V716-Y719 PolarHBondContact O-N 3.31Å; V716-F720 WeakPolarHBondContact O-CB 3.42Å; V716-F720 PolarHBondContact O-N 2.89Å; V716-Y894 HydrophobicContact CB-CE2 4.47Å; V716-Y894 HydrophobicContact CG1-CD2 4.3Å; V716-Y894 HydrophobicContact CG1-CE2 4.09Å; V716-L897 HydrophobicContact CG1-CB 3.81Å
717	S	93.1	Very high	90	Very high	13 Å²	13	21.1 Å²	21.1	9%	0.091	11%	0.111	C	C	.	.	H	α-helix	trans	-59	-43.6	174.5	37.8	0	0	0	0	112.4	Q715 F720 F721	Q715-S717 VanDerWaalsContact C-N 3.26Å; Q715-S717 PolarHBondContact O-N 3.33Å; Q715-S717 PolarHBondContact OE1-OG 3.2Å; S717-F720 PolarHBondContact O-N 3.16Å; S717-F721 WeakPolarHBondContact O-CD2 3.24Å; S717-F721 PolarHBondContact O-N 2.83Å
718	V	93.8	Very high	90.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.1	-48.7	178.9	172.6	0	0	0	0	111.4	Y622 Q625 L626 V629 Q715 S722	Y622-V718 HydrophobicContact CD2-CG2 3.56Å; Y622-V718 HydrophobicContact CE2-CG2 3.37Å; Y622-V718 HydrophobicContact CG-CG2 4.35Å; Q625-V718 HydrophobicContact CB-CB 4.43Å; Q625-V718 HydrophobicContact CB-CG1 3.92Å; Q625-V718 HydrophobicContact CB-CG2 3.9Å; L626-V718 HydrophobicContact CB-CG1 4.26Å; L626-V718 HydrophobicContact CD1-CG1 4.23Å; V629-V718 HydrophobicContact CB-CG1 4.17Å; V629-V718 HydrophobicContact CG2-CG1 3.91Å; Q715-V718 HydrophobicContact CB-CG2 4.23Å; Q715-V718 WeakPolarHBondContact O-CB 3.46Å; Q715-V718 PolarHBondContact O-N 2.88Å; Q715-V718 VanDerWaalsContact O-N 3.07Å; V718-S722 WeakPolarHBondContact O-CB 3.22Å; V718-S722 PolarHBondContact O-N 3.12Å
719	Y	93.9	Very high	90.3	Very high	12 Å²	12	23.5 Å²	23.5	5%	0.047	12%	0.124	C	C	.	.	H	α-helix	trans	-59.3	-48.1	176.3	172.7	-101.4	0	0	0	111.4	F698 F705 Y714 Q715 V716 S722 K723	F698-Y719 HydrophobicContact CE2-CE1 4.24Å; F705-Y719 HydrophobicContact CB-CD1 4.45Å; F705-Y719 HydrophobicContact CB-CD2 4.27Å; F705-Y719 HydrophobicContact CB-CE1 4.14Å; F705-Y719 HydrophobicContact CB-CE2 3.96Å; F705-Y719 HydrophobicContact CD1-CD1 4.45Å; F705-Y719 HydrophobicContact CD1-CE1 4.37Å; F705-Y719 AromaticContact CD2-CD1 3.35Å; F705-Y719 HydrophobicContact CD2-CD1 3.35Å; F705-Y719 AromaticContact CD2-CD2 3.75Å; F705-Y719 HydrophobicContact CD2-CD2 3.75Å; F705-Y719 AromaticContact CD2-CE1 3.87Å; F705-Y719 HydrophobicContact CD2-CE1 3.87Å; F705-Y719 HydrophobicContact CD2-CE2 4.23Å; F705-Y719 AromaticContact CD2-CG 3.29Å; F705-Y719 HydrophobicContact CD2-CG 3.29Å; F705-Y719 AromaticContact CE2-CD1 3.63Å; F705-Y719 HydrophobicContact CE2-CD1 3.63Å; F705-Y719 HydrophobicContact CE2-CE1 4.44Å; F705-Y719 AromaticContact CE2-CG 3.73Å; F705-Y719 HydrophobicContact CE2-CG 3.73Å; F705-Y719 AromaticContact CG-CD1 3.82Å; F705-Y719 HydrophobicContact CG-CD1 3.82Å; F705-Y719 HydrophobicContact CG-CD2 4.31Å; F705-Y719 AromaticContact CG-CE1 3.83Å; F705-Y719 HydrophobicContact CG-CE1 3.83Å; F705-Y719 HydrophobicContact CG-CE2 4.34Å; F705-Y719 HydrophobicContact CG-CG 4.07Å; F705-Y719 HydrophobicContact CZ-CD1 4.3Å; Y714-Y719 HydrophobicContact CE2-CD2 4.42Å; Y714-Y719 HydrophobicContact CE2-CG 4.36Å; Q715-Y719 PolarHBondContact O-N 3.37Å; V716-Y719 PolarHBondContact O-N 3.31Å; Y719-S722 PolarHBondContact O-N 3.37Å; Y719-K723 WeakPolarHBondContact O-CB 3.26Å; Y719-K723 PolarHBondContact O-N 3.18Å
720	F	94.6	Very high	90.5	Very high	19 Å²	19	25.4 Å²	25.4	8%	0.083	14%	0.136	C	C	.	.	H	α-helix	trans	-58.6	-53.2	-178.6	179.1	-100	0	0	0	112.3	V716 S717 S722 K723 V724 Y890 C893 Y894 L897	V716-F720 WeakPolarHBondContact O-CB 3.42Å; V716-F720 PolarHBondContact O-N 2.89Å; S717-F720 PolarHBondContact O-N 3.16Å; F720-S722 PolarHBondContact O-N 3.44Å; F720-K723 PolarHBondContact O-N 2.97Å; F720-V724 HydrophobicContact CE1-CG2 4.41Å; F720-V724 HydrophobicContact CE2-CG2 4.31Å; F720-V724 HydrophobicContact CZ-CG2 4.16Å; F720-V724 WeakPolarHBondContact O-CG2 3.48Å; F720-V724 PolarHBondContact O-N 3.48Å; F720-Y890 HydrophobicContact CE2-CD1 4.17Å; F720-Y890 AromaticContact CZ-CD1 3.74Å; F720-Y890 HydrophobicContact CZ-CD1 3.74Å; F720-Y890 HydrophobicContact CZ-CG 4.14Å; F720-Y890 VanDerWaalsContact CZ-O 3.28Å; F720-Y890 WeakPolarHBondContact CZ-O 3.14Å; F720-C893 HydrophobicContact CE2-CB 4.16Å; F720-Y894 HydrophobicContact CB-CD2 4.21Å; F720-Y894 HydrophobicContact CD1-CD2 4.33Å; F720-Y894 HydrophobicContact CG-CD2 4.17Å; F720-L897 HydrophobicContact CD2-CD1 3.99Å
721	F	94.2	Very high	90.9	Very high	95 Å²	95	25 Å²	25	42%	0.417	13%	0.132	S	C	.	.	H	α-helix	trans	-65.9	-37.7	178.8	-70.4	-61.6	0	0	0	112.3	Y622 L626 S717 V724 I725	Y622-F721 WeakPolarHBondContact OH-CD2 3.47Å; L626-F721 HydrophobicContact CD1-CB 4.31Å; S717-F721 WeakPolarHBondContact O-CD2 3.24Å; S717-F721 PolarHBondContact O-N 2.83Å; F721-V724 PolarHBondContact O-N 2.9Å; F721-I725 HydrophobicContact CB-CD1 4.3Å; F721-I725 VanDerWaalsContact O-CB 3.28Å; F721-I725 WeakPolarHBondContact O-CB 3.44Å; F721-I725 VanDerWaalsContact O-CG1 3.24Å; F721-I725 WeakPolarHBondContact O-CG1 3.24Å; F721-I725 PolarHBondContact O-N 3.48Å
722	S	94.1	Very high	91.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.6	-44.2	174.8	-173.5	0	0	0	0	112.3	V629 C630 S633 V718 Y719 F720 C726	V629-S722 VanDerWaalsContact C-OG 3.25Å; V629-S722 WeakPolarHBondContact CG1-OG 3.46Å; V629-S722 PolarHBondContact O-OG 3.48Å; C630-S722 VanDerWaalsContact CA-OG 3.26Å; C630-S722 WeakPolarHBondContact CA-OG 3.28Å; C630-S722 PolarHBondContact N-OG 3.43Å; C630-S722 VanDerWaalsContact N-OG 3.1Å; S633-S722 PolarHBondContact OG-OG 3.43Å; V718-S722 WeakPolarHBondContact O-CB 3.22Å; V718-S722 PolarHBondContact O-N 3.12Å; Y719-S722 PolarHBondContact O-N 3.37Å; F720-S722 PolarHBondContact O-N 3.44Å; S722-C726 VanDerWaalsContact O-CB 3.32Å; S722-C726 WeakPolarHBondContact O-CB 3.48Å; S722-C726 PolarHBondContact O-N 2.98Å
723	K	92.9	Very high	91.8	Very high	8 Å²	8	25.4 Å²	25.4	4%	0.035	13%	0.132	C	C	.	.	H	α-helix	trans	-66.5	-40.9	-179.9	-172.6	62.3	172	170	0	111.7	E701 Y719 F720 D727 I728	E701-K723 IonicContact OE1-NZ 3.52Å; E701-K723 PolarHBondContact OE1-NZ 3.34Å; E701-K723 WeakPolarHBondContact OE2-CD 3.31Å; E701-K723 WeakPolarHBondContact OE2-CE 3.25Å; E701-K723 IonicContact OE2-NZ 3.46Å; E701-K723 PolarHBondContact OE2-NZ 3.04Å; Y719-K723 WeakPolarHBondContact O-CB 3.26Å; Y719-K723 PolarHBondContact O-N 3.18Å; F720-K723 PolarHBondContact O-N 2.97Å; K723-D727 HydrophobicContact CD-CB 4.24Å; K723-D727 WeakPolarHBondContact CD-OD2 3.3Å; K723-D727 WeakPolarHBondContact CE-OD2 3.5Å; K723-D727 IonicContact NZ-OD2 3.84Å; K723-D727 PolarHBondContact NZ-OD2 3.38Å; K723-D727 PolarHBondContact O-N 3.48Å; K723-I728 HydrophobicContact CG-CD1 4.06Å; K723-I728 WeakPolarHBondContact O-CG1 3.46Å; K723-I728 PolarHBondContact O-N 3.06Å
724	V	92.9	Very high	92	Very high	17 Å²	17	30 Å²	30	10%	0.103	16%	0.156	C	C	.	.	I	π-helix	trans	-67.3	-49.7	175.9	175.5	0	0	0	0	111.6	F720 F721 I729 Y890	F720-V724 HydrophobicContact CE1-CG2 4.41Å; F720-V724 HydrophobicContact CE2-CG2 4.31Å; F720-V724 HydrophobicContact CZ-CG2 4.16Å; F720-V724 WeakPolarHBondContact O-CG2 3.48Å; F720-V724 PolarHBondContact O-N 3.48Å; F721-V724 PolarHBondContact O-N 2.9Å; V724-I729 HydrophobicContact CG1-CD1 4.3Å; V724-I729 WeakPolarHBondContact O-CG1 3.43Å; V724-I729 PolarHBondContact O-N 3.05Å; V724-Y890 HydrophobicContact CG1-CE1 4.33Å; V724-Y890 HydrophobicContact CG2-CD1 4.04Å; V724-Y890 HydrophobicContact CG2-CE1 3.64Å
725	I	92.7	Very high	92.1	Very high	92 Å²	92	30.1 Å²	30.1	47%	0.472	16%	0.157	S	C	.	.	I	π-helix	trans	-78.8	-40	-170.4	-62.9	168.5	0	0	0	112.8	F721 P730	F721-I725 HydrophobicContact CB-CD1 4.3Å; F721-I725 VanDerWaalsContact O-CB 3.28Å; F721-I725 WeakPolarHBondContact O-CB 3.44Å; F721-I725 VanDerWaalsContact O-CG1 3.24Å; F721-I725 WeakPolarHBondContact O-CG1 3.24Å; F721-I725 PolarHBondContact O-N 3.48Å; I725-P730 VanDerWaalsContact O-CD 3.28Å; I725-P730 WeakPolarHBondContact O-CD 3.41Å
726	C	91.5	Very high	92.3	Very high	15 Å²	15	26.8 Å²	26.8	10%	0.101	14%	0.142	C	C	.	.	I	π-helix	trans	-105.8	-1.8	-168.5	-66.4	0	0	0	0	115	C630 I634 S722	C630-C726 HydrophobicContact CB-CB 4.49Å; C630-C726 VanDerWaalsContact CB-SG 3.54Å; C630-C726 PolarHBondContact SG-SG 3.24Å; I634-C726 HydrophobicContact CD1-CB 4.38Å; I634-C726 HydrophobicContact CG1-CB 3.94Å; S722-C726 VanDerWaalsContact O-CB 3.32Å; S722-C726 WeakPolarHBondContact O-CB 3.48Å; S722-C726 PolarHBondContact O-N 2.98Å
727	D	89.6	Confident	92.5	Very high	22 Å²	22	30.1 Å²	30.1	12%	0.118	16%	0.158	C	C	.	.	I	π-helix	trans	-132	-59	176.9	170	56.3	0	0	0	111.2	K723 P730 T731	K723-D727 HydrophobicContact CD-CB 4.24Å; K723-D727 WeakPolarHBondContact CD-OD2 3.3Å; K723-D727 WeakPolarHBondContact CE-OD2 3.5Å; K723-D727 IonicContact NZ-OD2 3.84Å; K723-D727 PolarHBondContact NZ-OD2 3.38Å; K723-D727 PolarHBondContact O-N 3.48Å; D727-P730 WeakPolarHBondContact O-CD 3.46Å; D727-T731 WeakPolarHBondContact O-CB 3.5Å; D727-T731 VanDerWaalsContact O-CG2 3.29Å; D727-T731 WeakPolarHBondContact O-CG2 3.32Å; D727-T731 PolarHBondContact O-N 3.47Å; D727-T731 PolarHBondContact O-OG1 2.97Å
728	I	91.2	Very high	92.5	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.179	C	C	.	.	I	π-helix	trans	-68.6	-46.5	-173.2	-64.8	164.2	0	0	0	112.4	K723 T731 K732 L768 A771 L775	K723-I728 HydrophobicContact CG-CD1 4.06Å; K723-I728 WeakPolarHBondContact O-CG1 3.46Å; K723-I728 PolarHBondContact O-N 3.06Å; I728-T731 PolarHBondContact O-OG1 3.29Å; I728-K732 HydrophobicContact CG2-CG 4.28Å; I728-K732 VanDerWaalsContact O-CB 3.31Å; I728-K732 WeakPolarHBondContact O-CB 3.44Å; I728-K732 WeakPolarHBondContact O-CG 3.3Å; I728-K732 PolarHBondContact O-N 3.49Å; I728-L768 HydrophobicContact CG2-CD2 4.33Å; I728-A771 HydrophobicContact CG2-CB 3.94Å; I728-L775 HydrophobicContact CD1-CD1 3.32Å; I728-L775 HydrophobicContact CD1-CD2 3.92Å; I728-L775 HydrophobicContact CD1-CG 4.05Å
729	I	91.6	Very high	92.5	Very high	67 Å²	67	35.7 Å²	35.7	34%	0.344	19%	0.185	S	C	.	.	H	α-helix	trans	-59.8	-54.2	176	-73.8	171.5	0	0	0	110.5	V724 T731 K732 V733 L768	V724-I729 HydrophobicContact CG1-CD1 4.3Å; V724-I729 WeakPolarHBondContact O-CG1 3.43Å; V724-I729 PolarHBondContact O-N 3.05Å; I729-T731 PolarHBondContact O-N 3.42Å; I729-K732 PolarHBondContact O-N 2.9Å; I729-V733 HydrophobicContact CG2-CG2 4.23Å; I729-V733 WeakPolarHBondContact O-CB 3.46Å; I729-V733 WeakPolarHBondContact O-CG2 3.21Å; I729-V733 PolarHBondContact O-N 2.91Å; I729-L768 HydrophobicContact CG1-CD2 3.84Å
730	P	90.1	Very high	92.5	Very high	47 Å²	47	35.1 Å²	35.1	31%	0.305	18%	0.183	S	C	.	.	H	α-helix	trans	-56	-49.5	175.6	-28.7	35.9	0	0	0	114.6	L637 I725 D727 K732 L734	L637-P730 HydrophobicContact CD2-CB 4.19Å; I725-P730 VanDerWaalsContact O-CD 3.28Å; I725-P730 WeakPolarHBondContact O-CD 3.41Å; D727-P730 WeakPolarHBondContact O-CD 3.46Å; P730-K732 VanDerWaalsContact C-N 3.33Å; P730-K732 PolarHBondContact O-N 3.48Å; P730-L734 WeakPolarHBondContact O-CB 3.34Å; P730-L734 PolarHBondContact O-N 3.48Å
731	T	88.7	Confident	92.5	Very high	12 Å²	12	35.1 Å²	35.1	7%	0.074	19%	0.185	C	C	.	.	H	α-helix	trans	-71.5	-22.7	-174.3	54.9	0	0	0	0	114.4	L637 D727 I728 I729 P735	L637-T731 HydrophobicContact CD1-CG2 3.52Å; L637-T731 HydrophobicContact CD2-CG2 3.95Å; L637-T731 HydrophobicContact CG-CG2 4.41Å; D727-T731 WeakPolarHBondContact O-CB 3.5Å; D727-T731 VanDerWaalsContact O-CG2 3.29Å; D727-T731 WeakPolarHBondContact O-CG2 3.32Å; D727-T731 PolarHBondContact O-N 3.47Å; D727-T731 PolarHBondContact O-OG1 2.97Å; I728-T731 PolarHBondContact O-OG1 3.29Å; I729-T731 PolarHBondContact O-N 3.42Å; T731-P735 WeakPolarHBondContact O-CD 3.16Å; T731-P735 WeakPolarHBondContact O-CG 3.38Å
732	K	91.4	Very high	92.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-106.6	-36.1	-177.6	-56.1	-60.1	-176	176.8	0	113.9	V690 N691 T694 I728 I729 P730 I736 T767	V690-K732 PolarHBondContact O-NZ 3.02Å; V690-K732 VanDerWaalsContact O-NZ 3.1Å; N691-K732 WeakPolarHBondContact OD1-CD 3.32Å; N691-K732 WeakPolarHBondContact OD1-CE 3.39Å; T694-K732 WeakPolarHBondContact OG1-CE 3.48Å; T694-K732 PolarHBondContact OG1-NZ 2.92Å; I728-K732 HydrophobicContact CG2-CG 4.28Å; I728-K732 VanDerWaalsContact O-CB 3.31Å; I728-K732 WeakPolarHBondContact O-CB 3.44Å; I728-K732 WeakPolarHBondContact O-CG 3.3Å; I728-K732 PolarHBondContact O-N 3.49Å; I729-K732 PolarHBondContact O-N 2.9Å; P730-K732 VanDerWaalsContact C-N 3.33Å; P730-K732 PolarHBondContact O-N 3.48Å; K732-I736 WeakPolarHBondContact O-CD1 3.48Å; K732-I736 WeakPolarHBondContact O-CG1 3.42Å; K732-T767 HydrophobicContact CB-CG2 3.6Å
733	V	92.9	Very high	92.6	Very high	23 Å²	23	33.2 Å²	33.2	14%	0.139	18%	0.179	C	C	.	.	H	α-helix	trans	-82.1	-41	-178.8	178.5	0	0	0	0	111.4	I729 I736 L737 C764 L768	I729-V733 HydrophobicContact CG2-CG2 4.23Å; I729-V733 WeakPolarHBondContact O-CB 3.46Å; I729-V733 WeakPolarHBondContact O-CG2 3.21Å; I729-V733 PolarHBondContact O-N 2.91Å; V733-I736 PolarHBondContact O-N 3.1Å; V733-L737 HydrophobicContact CG1-CD1 3.68Å; V733-L737 HydrophobicContact CG1-CG 4.01Å; V733-L737 WeakPolarHBondContact O-CG 3.28Å; V733-L737 PolarHBondContact O-N 3.49Å; V733-C764 HydrophobicContact CG1-CB 4.43Å; V733-L768 HydrophobicContact CG2-CD1 3.98Å; V733-L768 HydrophobicContact CG2-CD2 4.13Å; V733-L768 HydrophobicContact CG2-CG 4.12Å
734	L	91.9	Very high	92.8	Very high	98 Å²	98	32.9 Å²	32.9	51%	0.513	18%	0.177	S	C	.	.	H	α-helix	trans	-62.5	-43.2	-175.8	-173.5	64.2	0	0	0	113.4	P730 I736 L737 L738	P730-L734 WeakPolarHBondContact O-CB 3.34Å; P730-L734 PolarHBondContact O-N 3.48Å; L734-I736 VanDerWaalsContact C-N 3.3Å; L734-I736 PolarHBondContact O-N 2.91Å; L734-L737 PolarHBondContact O-N 3.21Å; L734-L738 HydrophobicContact CD1-CD1 3.93Å; L734-L738 HydrophobicContact CD1-CG 4.1Å; L734-L738 HydrophobicContact CD2-CD1 4.5Å; L734-L738 HydrophobicContact CG-CD1 3.82Å; L734-L738 HydrophobicContact CG-CG 4.37Å; L734-L738 WeakPolarHBondContact O-CB 3.45Å; L734-L738 VanDerWaalsContact O-CG 3.28Å; L734-L738 WeakPolarHBondContact O-CG 3.25Å; L734-L738 PolarHBondContact O-N 2.84Å; L734-L738 VanDerWaalsContact O-N 3.1Å
735	P	92.1	Very high	92.9	Very high	4 Å²	4	39 Å²	39	3%	0.026	20%	0.199	C	C	.	.	H	α-helix	trans	-66.3	-30.1	176.5	-23.2	36.2	0	0	0	113.6	Y651 T731 F739	Y651-P735 HydrophobicContact CD2-CB 3.3Å; Y651-P735 HydrophobicContact CD2-CG 4.15Å; Y651-P735 HydrophobicContact CE2-CB 3.81Å; Y651-P735 HydrophobicContact CE2-CG 4.4Å; Y651-P735 HydrophobicContact CG-CB 3.91Å; T731-P735 WeakPolarHBondContact O-CD 3.16Å; T731-P735 WeakPolarHBondContact O-CG 3.38Å; P735-F739 HydrophobicContact CB-CD2 4.16Å; P735-F739 HydrophobicContact CB-CE2 4.34Å; P735-F739 WeakPolarHBondContact O-CB 3.48Å; P735-F739 WeakPolarHBondContact O-CD2 3.28Å; P735-F739 PolarHBondContact O-N 2.92Å
736	I	94	Very high	93	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65.1	-57.8	174.7	-68.6	173.7	0	0	0	108.7	Y651 V687 K732 V733 L734 L738 F739 M740 P741 E760 L763 T767	Y651-I736 HydrophobicContact CE1-CG1 4.2Å; V687-I736 HydrophobicContact CG1-CD1 3.83Å; V687-I736 HydrophobicContact CG2-CD1 4.24Å; V687-I736 HydrophobicContact CG2-CG1 4.47Å; K732-I736 WeakPolarHBondContact O-CD1 3.48Å; K732-I736 WeakPolarHBondContact O-CG1 3.42Å; V733-I736 PolarHBondContact O-N 3.1Å; L734-I736 VanDerWaalsContact C-N 3.3Å; L734-I736 PolarHBondContact O-N 2.91Å; I736-L738 PolarHBondContact O-N 3.24Å; I736-F739 PolarHBondContact O-N 3.16Å; I736-M740 HydrophobicContact CB-CG 4.47Å; I736-M740 HydrophobicContact CG2-CB 4.3Å; I736-M740 HydrophobicContact CG2-CG 4.04Å; I736-M740 WeakPolarHBondContact O-CB 3.32Å; I736-M740 PolarHBondContact O-N 3.12Å; I736-P741 WeakPolarHBondContact O-CD 3.33Å; I736-E760 WeakPolarHBondContact CG2-OE2 3.47Å; I736-L763 HydrophobicContact CG2-CB 3.9Å; I736-T767 HydrophobicContact CD1-CG2 3.6Å
737	L	94.6	Very high	93.1	Very high	87 Å²	87	36.1 Å²	36.1	46%	0.455	18%	0.183	S	C	.	.	H	α-helix	trans	-59.5	-20.5	-179.4	-65	178.7	0	0	0	114.8	V733 L734 P741 E760	V733-L737 HydrophobicContact CG1-CD1 3.68Å; V733-L737 HydrophobicContact CG1-CG 4.01Å; V733-L737 WeakPolarHBondContact O-CG 3.28Å; V733-L737 PolarHBondContact O-N 3.49Å; L734-L737 PolarHBondContact O-N 3.21Å; L737-P741 WeakPolarHBondContact O-CG 3.44Å; L737-E760 HydrophobicContact CD2-CB 4.19Å
738	L	93	Very high	93.2	Very high	99 Å²	99	36.7 Å²	36.7	52%	0.518	19%	0.194	S	C	.	.	H	α-helix	trans	-94.4	-37.5	178	-69.2	177.2	0	0	0	113.8	L734 I736	L734-L738 HydrophobicContact CD1-CD1 3.93Å; L734-L738 HydrophobicContact CD1-CG 4.1Å; L734-L738 HydrophobicContact CD2-CD1 4.5Å; L734-L738 HydrophobicContact CG-CD1 3.82Å; L734-L738 HydrophobicContact CG-CG 4.37Å; L734-L738 WeakPolarHBondContact O-CB 3.45Å; L734-L738 VanDerWaalsContact O-CG 3.28Å; L734-L738 WeakPolarHBondContact O-CG 3.25Å; L734-L738 PolarHBondContact O-N 2.84Å; L734-L738 VanDerWaalsContact O-N 3.1Å; I736-L738 PolarHBondContact O-N 3.24Å
739	F	94.1	Very high	93.3	Very high	31 Å²	31	36.9 Å²	36.9	14%	0.136	20%	0.195	C	C	.	.	H	α-helix	trans	-109.9	-31.7	-171.3	-55.2	-61.9	0	0	0	114.5	T648 L652 A655 P735 I736 P741 I742	T648-F739 HydrophobicContact CG2-CE2 3.67Å; T648-F739 HydrophobicContact CG2-CZ 3.71Å; L652-F739 HydrophobicContact CB-CD1 3.86Å; L652-F739 HydrophobicContact CB-CE1 3.97Å; L652-F739 HydrophobicContact CB-CG 4.24Å; L652-F739 HydrophobicContact CB-CZ 4.47Å; L652-F739 HydrophobicContact CD1-CD1 3.76Å; L652-F739 HydrophobicContact CD1-CE1 4.01Å; L652-F739 HydrophobicContact CG-CD1 4.36Å; L652-F739 HydrophobicContact CG-CE1 4.39Å; A655-F739 HydrophobicContact CB-CB 4.12Å; A655-F739 WeakPolarHBondContact CB-O 3.46Å; P735-F739 HydrophobicContact CB-CD2 4.16Å; P735-F739 HydrophobicContact CB-CE2 4.34Å; P735-F739 WeakPolarHBondContact O-CB 3.48Å; P735-F739 WeakPolarHBondContact O-CD2 3.28Å; P735-F739 PolarHBondContact O-N 2.92Å; I736-F739 PolarHBondContact O-N 3.16Å; F739-P741 VanDerWaalsContact C-CD 3.41Å; F739-P741 VanDerWaalsContact C-N 3.32Å; F739-I742 HydrophobicContact CD1-CD1 4.06Å; F739-I742 VanDerWaalsContact O-CB 3.3Å; F739-I742 WeakPolarHBondContact O-CB 3.43Å; F739-I742 PolarHBondContact O-N 3.22Å; F739-I742 VanDerWaalsContact O-N 3.08Å
740	M	94.3	Very high	93.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.9	-29.2	176.3	-69.9	-68.4	165.5	0	0	114.2	Y651 F654 V687 I736 I742 C743 Y744 F759 E760 L763	Y651-M740 HydrophobicContact CD1-CE 3.78Å; Y651-M740 HydrophobicContact CE1-CE 3.91Å; F654-M740 HydrophobicContact CD1-CE 3.78Å; F654-M740 HydrophobicContact CE1-CE 3.98Å; V687-M740 HydrophobicContact CG2-CE 3.89Å; I736-M740 HydrophobicContact CB-CG 4.47Å; I736-M740 HydrophobicContact CG2-CB 4.3Å; I736-M740 HydrophobicContact CG2-CG 4.04Å; I736-M740 WeakPolarHBondContact O-CB 3.32Å; I736-M740 PolarHBondContact O-N 3.12Å; M740-I742 VanDerWaalsContact C-N 3.26Å; M740-I742 PolarHBondContact O-N 3.46Å; M740-C743 WeakPolarHBondContact O-CB 3.41Å; M740-C743 PolarHBondContact O-N 2.93Å; M740-C743 VanDerWaalsContact O-N 3.16Å; M740-Y744 PolarHBondContact O-N 3.49Å; M740-F759 HydrophobicContact CB-CE1 4.11Å; M740-E760 WeakPolarHBondContact CB-OE1 3.43Å; M740-L763 HydrophobicContact CB-CD1 4.08Å; M740-L763 HydrophobicContact CG-CD1 3.86Å; M740-L763 HydrophobicContact SD-CD1 4.03Å
741	P	95.5	Very high	93.3	Very high	20 Å²	20	41.2 Å²	41.2	13%	0.13	21%	0.207	C	C	.	.	H	α-helix	trans	-59	-33.7	170.1	-27.6	36.1	0	0	0	113.7	I736 L737 F739 C743 Y744 W745 F756 E760	I736-P741 WeakPolarHBondContact O-CD 3.33Å; L737-P741 WeakPolarHBondContact O-CG 3.44Å; F739-P741 VanDerWaalsContact C-CD 3.41Å; F739-P741 VanDerWaalsContact C-N 3.32Å; P741-C743 VanDerWaalsContact C-N 3.32Å; P741-C743 PolarHBondContact O-N 3.27Å; P741-Y744 PolarHBondContact O-N 3.45Å; P741-W745 PolarHBondContact O-N 3.5Å; P741-F756 HydrophobicContact CB-CE2 3.79Å; P741-F756 HydrophobicContact CB-CZ 4.03Å; P741-F756 HydrophobicContact CG-CE2 3.85Å; P741-F756 HydrophobicContact CG-CZ 3.84Å; P741-E760 VanDerWaalsContact CD-OE1 3.26Å; P741-E760 WeakPolarHBondContact CD-OE1 3.29Å
742	I	95.4	Very high	93.5	Very high	54 Å²	54	44.3 Å²	44.3	28%	0.277	23%	0.226	S	C	.	.	H	α-helix	trans	-60.1	-47.6	177	-56.1	172.9	0	0	0	109.3	L652 A655 L656 F739 M740 M746	L652-I742 HydrophobicContact CD1-CD1 4.04Å; A655-I742 HydrophobicContact CB-CB 4.44Å; L656-I742 HydrophobicContact CD2-CG2 4.05Å; F739-I742 HydrophobicContact CD1-CD1 4.06Å; F739-I742 VanDerWaalsContact O-CB 3.3Å; F739-I742 WeakPolarHBondContact O-CB 3.43Å; F739-I742 PolarHBondContact O-N 3.22Å; F739-I742 VanDerWaalsContact O-N 3.08Å; M740-I742 VanDerWaalsContact C-N 3.26Å; M740-I742 PolarHBondContact O-N 3.46Å; I742-M746 HydrophobicContact CG2-CG 4.43Å; I742-M746 HydrophobicContact CG2-SD 3.76Å; I742-M746 WeakPolarHBondContact O-CB 3.32Å; I742-M746 VanDerWaalsContact O-CG 3.24Å; I742-M746 WeakPolarHBondContact O-CG 3.23Å; I742-M746 PolarHBondContact O-N 3.46Å
743	C	94.9	Very high	93.6	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.007	26%	0.257	C	S	.	.	H	α-helix	trans	-63.9	-42.6	177.6	-168.4	0	0	0	0	111.7	A655 M740 P741 W745 M746 A747	A655-C743 HydrophobicContact CB-CB 4.21Å; M740-C743 WeakPolarHBondContact O-CB 3.41Å; M740-C743 PolarHBondContact O-N 2.93Å; M740-C743 VanDerWaalsContact O-N 3.16Å; P741-C743 VanDerWaalsContact C-N 3.32Å; P741-C743 PolarHBondContact O-N 3.27Å; C743-W745 PolarHBondContact O-N 3.27Å; C743-M746 PolarHBondContact O-N 2.83Å; C743-A747 VanDerWaalsContact O-CB 3.24Å; C743-A747 WeakPolarHBondContact O-CB 3.26Å; C743-A747 PolarHBondContact O-N 2.88Å
744	Y	95.3	Very high	93.6	Very high	1 Å²	1	53 Å²	53	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-57.2	-50.6	177.9	-169.4	-85	0	0	0	112.7	M740 P741 G748 L749 Q750 A755 F756 F759	M740-Y744 PolarHBondContact O-N 3.49Å; P741-Y744 PolarHBondContact O-N 3.45Å; Y744-G748 PolarHBondContact O-N 2.9Å; Y744-L749 HydrophobicContact CD1-CB 4.43Å; Y744-L749 HydrophobicContact CD2-CB 4.21Å; Y744-L749 HydrophobicContact CD2-CD1 3.56Å; Y744-L749 HydrophobicContact CE1-CB 4.11Å; Y744-L749 HydrophobicContact CE2-CB 3.91Å; Y744-L749 HydrophobicContact CE2-CD1 3.82Å; Y744-L749 HydrophobicContact CG-CB 4.46Å; Y744-L749 HydrophobicContact CG-CD1 4.16Å; Y744-Q750 PolarHBondContact OH-O 2.97Å; Y744-A755 WeakPolarHBondContact OH-CB 3.25Å; Y744-F756 AromaticContact CD1-CD2 3.88Å; Y744-F756 HydrophobicContact CD1-CD2 3.88Å; Y744-F756 HydrophobicContact CD2-CD2 4.31Å; Y744-F756 HydrophobicContact CE1-CB 3.96Å; Y744-F756 HydrophobicContact CE1-CD2 4.14Å; Y744-F756 AromaticContact CG-CD2 3.99Å; Y744-F756 HydrophobicContact CG-CD2 3.99Å; Y744-F756 PolarHBondContact OH-N 3.36Å; Y744-F759 HydrophobicContact CD2-CB 4.03Å; Y744-F759 AromaticContact CD2-CD1 3.5Å; Y744-F759 HydrophobicContact CD2-CD1 3.5Å; Y744-F759 AromaticContact CD2-CD2 3.75Å; Y744-F759 HydrophobicContact CD2-CD2 3.75Å; Y744-F759 AromaticContact CD2-CE1 3.76Å; Y744-F759 HydrophobicContact CD2-CE1 3.76Å; Y744-F759 HydrophobicContact CD2-CE2 4.01Å; Y744-F759 AromaticContact CD2-CG 3.51Å; Y744-F759 HydrophobicContact CD2-CG 3.51Å; Y744-F759 HydrophobicContact CD2-CZ 4.01Å; Y744-F759 HydrophobicContact CE2-CB 3.74Å; Y744-F759 HydrophobicContact CE2-CD1 4.12Å; Y744-F759 HydrophobicContact CE2-CD2 4Å; Y744-F759 AromaticContact CE2-CG 3.72Å; Y744-F759 HydrophobicContact CE2-CG 3.72Å; Y744-F759 HydrophobicContact CG-CD1 4.4Å; Y744-F759 HydrophobicContact CG-CE1 4.4Å
745	W	95.1	Very high	93.6	Very high	144 Å²	144	48.6 Å²	48.6	55%	0.545	25%	0.254	S	S	.	.	H	α-helix	trans	-74.9	-34.1	-177.4	-65.4	116.1	0	0	0	113	P741 C743 F756	P741-W745 PolarHBondContact O-N 3.5Å; C743-W745 PolarHBondContact O-N 3.27Å; W745-F756 HydrophobicContact CZ2-CG 4.48Å
746	M	94.8	Very high	93.7	Very high	47 Å²	47	50 Å²	50	23%	0.232	26%	0.26	C	S	.	.	H	α-helix	trans	-68.7	-36.4	174.4	-71.2	-178.8	76.2	0	0	112.5	L656 I660 F663 Q664 I742 C743 G748	L656-M746 HydrophobicContact CD2-SD 4.47Å; I660-M746 HydrophobicContact CG1-CE 3.9Å; F663-M746 HydrophobicContact CD2-CB 4.44Å; F663-M746 HydrophobicContact CD2-CE 4.23Å; Q664-M746 PolarHBondContact N-O 3.21Å; I742-M746 HydrophobicContact CG2-CG 4.43Å; I742-M746 HydrophobicContact CG2-SD 3.76Å; I742-M746 WeakPolarHBondContact O-CB 3.32Å; I742-M746 VanDerWaalsContact O-CG 3.24Å; I742-M746 WeakPolarHBondContact O-CG 3.23Å; I742-M746 PolarHBondContact O-N 3.46Å; C743-M746 PolarHBondContact O-N 2.83Å; M746-G748 VanDerWaalsContact C-N 3.31Å; M746-G748 PolarHBondContact O-N 3.49Å
747	A	93.9	Very high	93.8	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.008	28%	0.282	C	S	.	.	H	α-helix	trans	-70.7	-23.9	-179.7	0	0	0	0	0	114.1	Y662 M665 L679 C743 L749	Y662-A747 WeakPolarHBondContact O-CA 3.48Å; M665-A747 PolarHBondContact N-O 2.85Å; M665-A747 VanDerWaalsContact N-O 3.1Å; L679-A747 HydrophobicContact CD2-CB 3.51Å; C743-A747 VanDerWaalsContact O-CB 3.24Å; C743-A747 WeakPolarHBondContact O-CB 3.26Å; C743-A747 PolarHBondContact O-N 2.88Å; A747-L749 HydrophobicContact CB-CG 4.2Å
748	G	92.5	Very high	93.8	Very high	34 Å²	34	50.8 Å²	50.8	35%	0.351	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	27.1	-179.5	0	0	0	0	0	114.7	Y744 M746	Y744-G748 PolarHBondContact O-N 2.9Å; M746-G748 VanDerWaalsContact C-N 3.31Å; M746-G748 PolarHBondContact O-N 3.49Å
749	L	93	Very high	93.9	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.021	24%	0.238	C	C	.	.			trans	-61.7	172.7	175.8	-64	174.1	0	0	0	112.7	L679 F680 Y744 A747 K751 F759 E835	L679-L749 HydrophobicContact CD2-CD1 4.2Å; L679-L749 HydrophobicContact CD2-CD2 4.25Å; L679-L749 HydrophobicContact CD2-CG 4.41Å; F680-L749 HydrophobicContact CE1-CD1 3.73Å; F680-L749 HydrophobicContact CE1-CD2 4.09Å; F680-L749 HydrophobicContact CZ-CD1 4.21Å; F680-L749 HydrophobicContact CZ-CD2 3.85Å; Y744-L749 HydrophobicContact CD1-CB 4.43Å; Y744-L749 HydrophobicContact CD2-CB 4.21Å; Y744-L749 HydrophobicContact CD2-CD1 3.56Å; Y744-L749 HydrophobicContact CE1-CB 4.11Å; Y744-L749 HydrophobicContact CE2-CB 3.91Å; Y744-L749 HydrophobicContact CE2-CD1 3.82Å; Y744-L749 HydrophobicContact CG-CB 4.46Å; Y744-L749 HydrophobicContact CG-CD1 4.16Å; A747-L749 HydrophobicContact CB-CG 4.2Å; L749-K751 PolarHBondContact O-N 2.91Å; L749-K751 VanDerWaalsContact O-N 3.16Å; L749-F759 HydrophobicContact CD1-CD2 4.4Å; L749-F759 HydrophobicContact CD1-CE2 4.13Å; L749-E835 HydrophobicContact CD2-CG 4.19Å; L749-E835 WeakPolarHBondContact CD2-OE1 3.25Å
750	Q	91.4	Very high	94	Very high	25 Å²	25	45 Å²	45	12%	0.117	23%	0.233	C	C	.	.			trans	-45	120.8	-177.8	-85.4	-177.3	31.3	0	0	114	Y744 T752 A755 M834 E835 T838	Y744-Q750 PolarHBondContact OH-O 2.97Å; Q750-T752 PolarHBondContact O-N 2.73Å; Q750-A755 HydrophobicContact CB-CB 3.77Å; Q750-M834 PolarHBondContact NE2-O 2.69Å; Q750-E835 WeakPolarHBondContact CG-OE2 3.35Å; Q750-E835 PolarHBondContact N-OE2 2.9Å; Q750-E835 VanDerWaalsContact N-OE2 3.12Å; Q750-E835 VanDerWaalsContact NE2-CA 3.3Å; Q750-E835 PolarHBondContact NE2-O 2.87Å; Q750-T838 PolarHBondContact NE2-OG1 2.85Å
751	K	89.8	Confident	94.1	Very high	181 Å²	181	47.9 Å²	47.9	79%	0.787	25%	0.248	S	C	*	.			trans	-74.1	10.6	-177.4	-59	178.6	-176.9	176	0	114.5	L749	L749-K751 PolarHBondContact O-N 2.91Å; L749-K751 VanDerWaalsContact O-N 3.16Å
752	T	93	Very high	94.1	Very high	77 Å²	77	47 Å²	47	47%	0.472	24%	0.242	S	C	.	.			trans	-85.6	136.1	179	79.4	0	0	0	0	110.4	Q750 G754 A755 F756	Q750-T752 PolarHBondContact O-N 2.73Å; T752-G754 PolarHBondContact O-N 3.43Å; T752-A755 PolarHBondContact O-N 3.42Å; T752-A755 VanDerWaalsContact O-N 3.13Å; T752-A755 VanDerWaalsContact OG1-CB 3.24Å; T752-A755 WeakPolarHBondContact OG1-CB 3.48Å; T752-A755 PolarHBondContact OG1-N 3.01Å; T752-F756 PolarHBondContact O-N 3.47Å; T752-F756 VanDerWaalsContact O-N 3.14Å
753	F	93.1	Very high	94.2	Very high	152 Å²	152	44.4 Å²	44.4	67%	0.667	23%	0.229	S	C	*	.	H	α-helix	trans	-60.2	-33.5	178.9	-178.9	-106.2	0	0	0	112.6	F756 M757	F753-F756 HydrophobicContact CD2-CD1 4.41Å; F753-F756 HydrophobicContact CE2-CD1 4.44Å; F753-F756 PolarHBondContact O-N 3.37Å; F753-M757 HydrophobicContact CD1-CG 4.1Å; F753-M757 HydrophobicContact CD2-CG 4.22Å; F753-M757 HydrophobicContact CE1-CG 3.64Å; F753-M757 HydrophobicContact CE1-SD 4.45Å; F753-M757 HydrophobicContact CE2-CG 3.76Å; F753-M757 HydrophobicContact CE2-SD 3.92Å; F753-M757 HydrophobicContact CG-CG 4.37Å; F753-M757 HydrophobicContact CZ-CG 3.45Å; F753-M757 VanDerWaalsContact CZ-CG 3.45Å; F753-M757 HydrophobicContact CZ-SD 3.71Å; F753-M757 WeakPolarHBondContact O-CB 3.3Å; F753-M757 WeakPolarHBondContact O-CG 3.27Å; F753-M757 PolarHBondContact O-N 3.04Å
754	G	92.9	Very high	94.2	Very high	53 Å²	53	45 Å²	45	55%	0.546	23%	0.233	S	C	.	.	H	α-helix	trans	-64.1	-40.1	175	0	0	0	0	0	113.3	T752 F758	T752-G754 PolarHBondContact O-N 3.43Å; G754-F758 VanDerWaalsContact O-CB 3.27Å; G754-F758 WeakPolarHBondContact O-CB 3.3Å; G754-F758 PolarHBondContact O-N 3.39Å
755	A	92.2	Very high	94.3	Very high	5 Å²	5	45.6 Å²	45.6	4%	0.041	24%	0.236	C	C	.	.	H	α-helix	trans	-65	-49.3	174.6	0	0	0	0	0	111.3	Y744 Q750 T752 M757 F758 F759 M834	Y744-A755 WeakPolarHBondContact OH-CB 3.25Å; Q750-A755 HydrophobicContact CB-CB 3.77Å; T752-A755 PolarHBondContact O-N 3.42Å; T752-A755 VanDerWaalsContact O-N 3.13Å; T752-A755 VanDerWaalsContact OG1-CB 3.24Å; T752-A755 WeakPolarHBondContact OG1-CB 3.48Å; T752-A755 PolarHBondContact OG1-N 3.01Å; A755-M757 PolarHBondContact O-N 3.19Å; A755-F758 PolarHBondContact O-N 3.28Å; A755-F758 VanDerWaalsContact O-N 3.11Å; A755-F759 WeakPolarHBondContact O-CB 3.33Å; A755-F759 PolarHBondContact O-N 2.97Å; A755-M834 VanDerWaalsContact CA-SD 3.58Å; A755-M834 HydrophobicContact CB-CE 4.08Å; A755-M834 HydrophobicContact CB-CG 3.98Å; A755-M834 HydrophobicContact CB-SD 3.64Å
756	F	95.1	Very high	94.4	Very high	33 Å²	33	38.8 Å²	38.8	15%	0.145	21%	0.211	C	C	.	.	H	α-helix	trans	-55.8	-49.9	177.5	169.7	-109.7	0	0	0	112.5	P741 Y744 W745 T752 F753 F758 F759 E760	P741-F756 HydrophobicContact CB-CE2 3.79Å; P741-F756 HydrophobicContact CB-CZ 4.03Å; P741-F756 HydrophobicContact CG-CE2 3.85Å; P741-F756 HydrophobicContact CG-CZ 3.84Å; Y744-F756 AromaticContact CD1-CD2 3.88Å; Y744-F756 HydrophobicContact CD1-CD2 3.88Å; Y744-F756 HydrophobicContact CD2-CD2 4.31Å; Y744-F756 HydrophobicContact CE1-CB 3.96Å; Y744-F756 HydrophobicContact CE1-CD2 4.14Å; Y744-F756 AromaticContact CG-CD2 3.99Å; Y744-F756 HydrophobicContact CG-CD2 3.99Å; Y744-F756 PolarHBondContact OH-N 3.36Å; W745-F756 HydrophobicContact CZ2-CG 4.48Å; T752-F756 PolarHBondContact O-N 3.47Å; T752-F756 VanDerWaalsContact O-N 3.14Å; F753-F756 HydrophobicContact CD2-CD1 4.41Å; F753-F756 HydrophobicContact CE2-CD1 4.44Å; F753-F756 PolarHBondContact O-N 3.37Å; F756-F758 VanDerWaalsContact C-N 3.28Å; F756-F758 PolarHBondContact O-N 3.29Å; F756-F759 WeakPolarHBondContact O-CB 3.31Å; F756-F759 PolarHBondContact O-N 3.23Å; F756-E760 HydrophobicContact CD2-CG 4.37Å; F756-E760 HydrophobicContact CE2-CG 3.78Å; F756-E760 HydrophobicContact CZ-CG 3.9Å; F756-E760 PolarHBondContact O-N 3.48Å; F756-E760 VanDerWaalsContact O-N 3.07Å
757	M	95.2	Very high	94.4	Very high	93 Å²	93	36.5 Å²	36.5	46%	0.458	20%	0.199	S	C	.	.	H	α-helix	trans	-65.9	-29.8	178.5	-68.1	-61.2	-63	0	0	113	F753 A755 L761	F753-M757 HydrophobicContact CD1-CG 4.1Å; F753-M757 HydrophobicContact CD2-CG 4.22Å; F753-M757 HydrophobicContact CE1-CG 3.64Å; F753-M757 HydrophobicContact CE1-SD 4.45Å; F753-M757 HydrophobicContact CE2-CG 3.76Å; F753-M757 HydrophobicContact CE2-SD 3.92Å; F753-M757 HydrophobicContact CG-CG 4.37Å; F753-M757 HydrophobicContact CZ-CG 3.45Å; F753-M757 VanDerWaalsContact CZ-CG 3.45Å; F753-M757 HydrophobicContact CZ-SD 3.71Å; F753-M757 WeakPolarHBondContact O-CB 3.3Å; F753-M757 WeakPolarHBondContact O-CG 3.27Å; F753-M757 PolarHBondContact O-N 3.04Å; A755-M757 PolarHBondContact O-N 3.19Å; M757-L761 VanDerWaalsContact O-CB 3.25Å; M757-L761 WeakPolarHBondContact O-CB 3.32Å; M757-L761 PolarHBondContact O-N 3.44Å
758	F	94.9	Very high	94.5	Very high	12 Å²	12	37.4 Å²	37.4	5%	0.053	20%	0.204	C	C	.	.	H	α-helix	trans	-75.5	-38.3	176	-171	-93.6	0	0	0	112.5	G754 A755 F756 L761 I762 M834 L875 V879	G754-F758 VanDerWaalsContact O-CB 3.27Å; G754-F758 WeakPolarHBondContact O-CB 3.3Å; G754-F758 PolarHBondContact O-N 3.39Å; A755-F758 PolarHBondContact O-N 3.28Å; A755-F758 VanDerWaalsContact O-N 3.11Å; F756-F758 VanDerWaalsContact C-N 3.28Å; F756-F758 PolarHBondContact O-N 3.29Å; F758-L761 PolarHBondContact O-N 2.78Å; F758-I762 HydrophobicContact CD1-CG1 3.94Å; F758-I762 HydrophobicContact CE1-CD1 3.97Å; F758-I762 HydrophobicContact CE1-CG1 3.4Å; F758-I762 VanDerWaalsContact CE1-CG1 3.4Å; F758-I762 HydrophobicContact CE2-CG1 4.39Å; F758-I762 HydrophobicContact CZ-CD1 3.74Å; F758-I762 HydrophobicContact CZ-CG1 3.65Å; F758-I762 WeakPolarHBondContact O-CG1 3.26Å; F758-I762 PolarHBondContact O-N 3.09Å; F758-M834 HydrophobicContact CB-SD 4.49Å; F758-M834 HydrophobicContact CD1-CB 4.17Å; F758-M834 HydrophobicContact CD1-CG 4.28Å; F758-M834 HydrophobicContact CD1-SD 4.3Å; F758-L875 HydrophobicContact CD1-CD1 4.07Å; F758-L875 HydrophobicContact CD1-CD2 4.47Å; F758-L875 HydrophobicContact CD1-CG 4.39Å; F758-L875 HydrophobicContact CD2-CD2 4.17Å; F758-L875 HydrophobicContact CD2-CG 4.32Å; F758-L875 HydrophobicContact CE1-CD1 3.42Å; F758-L875 VanDerWaalsContact CE1-CD1 3.42Å; F758-L875 HydrophobicContact CE1-CD2 4.36Å; F758-L875 HydrophobicContact CE1-CG 3.8Å; F758-L875 HydrophobicContact CE2-CD1 4.29Å; F758-L875 HydrophobicContact CE2-CD2 4.04Å; F758-L875 HydrophobicContact CE2-CG 3.71Å; F758-L875 HydrophobicContact CG-CD2 4.39Å; F758-L875 HydrophobicContact CZ-CD1 3.57Å; F758-L875 HydrophobicContact CZ-CD2 4.16Å; F758-L875 HydrophobicContact CZ-CG 3.44Å; F758-L875 VanDerWaalsContact CZ-CG 3.44Å; F758-V879 HydrophobicContact CE2-CG2 3.54Å; F758-V879 HydrophobicContact CZ-CG2 3.81Å
759	F	95.6	Very high	94.7	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-57.2	-53	171.5	168.7	-86.8	0	0	0	110.8	F680 M740 Y744 L749 A755 F756 L761 I762 L763 L831 M834	F680-F759 HydrophobicContact CD1-CD2 4.46Å; F680-F759 HydrophobicContact CD1-CE2 4.15Å; F680-F759 AromaticContact CE1-CD2 3.97Å; F680-F759 HydrophobicContact CE1-CD2 3.97Å; F680-F759 AromaticContact CE1-CE2 3.91Å; F680-F759 HydrophobicContact CE1-CE2 3.91Å; M740-F759 HydrophobicContact CB-CE1 4.11Å; Y744-F759 HydrophobicContact CD2-CB 4.03Å; Y744-F759 AromaticContact CD2-CD1 3.5Å; Y744-F759 HydrophobicContact CD2-CD1 3.5Å; Y744-F759 AromaticContact CD2-CD2 3.75Å; Y744-F759 HydrophobicContact CD2-CD2 3.75Å; Y744-F759 AromaticContact CD2-CE1 3.76Å; Y744-F759 HydrophobicContact CD2-CE1 3.76Å; Y744-F759 HydrophobicContact CD2-CE2 4.01Å; Y744-F759 AromaticContact CD2-CG 3.51Å; Y744-F759 HydrophobicContact CD2-CG 3.51Å; Y744-F759 HydrophobicContact CD2-CZ 4.01Å; Y744-F759 HydrophobicContact CE2-CB 3.74Å; Y744-F759 HydrophobicContact CE2-CD1 4.12Å; Y744-F759 HydrophobicContact CE2-CD2 4Å; Y744-F759 AromaticContact CE2-CG 3.72Å; Y744-F759 HydrophobicContact CE2-CG 3.72Å; Y744-F759 HydrophobicContact CG-CD1 4.4Å; Y744-F759 HydrophobicContact CG-CE1 4.4Å; L749-F759 HydrophobicContact CD1-CD2 4.4Å; L749-F759 HydrophobicContact CD1-CE2 4.13Å; A755-F759 WeakPolarHBondContact O-CB 3.33Å; A755-F759 PolarHBondContact O-N 2.97Å; F756-F759 WeakPolarHBondContact O-CB 3.31Å; F756-F759 PolarHBondContact O-N 3.23Å; F759-L761 PolarHBondContact O-N 3.29Å; F759-I762 PolarHBondContact O-N 2.88Å; F759-L763 HydrophobicContact CD1-CD1 4.15Å; F759-L763 HydrophobicContact CE1-CD1 3.61Å; F759-L763 HydrophobicContact CE2-CD1 4.17Å; F759-L763 HydrophobicContact CZ-CD1 3.62Å; F759-L763 WeakPolarHBondContact O-CG 3.39Å; F759-L763 PolarHBondContact O-N 3.19Å; F759-L831 HydrophobicContact CB-CD2 4.25Å; F759-L831 HydrophobicContact CD2-CD2 3.74Å; F759-L831 HydrophobicContact CG-CD2 4.28Å; F759-M834 HydrophobicContact CB-SD 4.33Å
760	E	95.4	Very high	94.8	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.028	19%	0.186	C	C	.	.	H	α-helix	trans	-60.1	-43.1	176.7	-71.7	-59.1	142.7	0	0	111.9	I736 L737 M740 P741 F756 I762 L763 C764	I736-E760 WeakPolarHBondContact CG2-OE2 3.47Å; L737-E760 HydrophobicContact CD2-CB 4.19Å; M740-E760 WeakPolarHBondContact CB-OE1 3.43Å; P741-E760 VanDerWaalsContact CD-OE1 3.26Å; P741-E760 WeakPolarHBondContact CD-OE1 3.29Å; F756-E760 HydrophobicContact CD2-CG 4.37Å; F756-E760 HydrophobicContact CE2-CG 3.78Å; F756-E760 HydrophobicContact CZ-CG 3.9Å; F756-E760 PolarHBondContact O-N 3.48Å; F756-E760 VanDerWaalsContact O-N 3.07Å; E760-I762 PolarHBondContact O-N 3.5Å; E760-L763 PolarHBondContact O-N 3.47Å; E760-C764 WeakPolarHBondContact O-CB 3.45Å; E760-C764 PolarHBondContact O-N 3.35Å; E760-C764 PolarHBondContact O-SG 2.98Å
761	L	96.3	Very high	95	Very high	62 Å²	62	34.4 Å²	34.4	33%	0.325	18%	0.181	S	C	.	.	H	α-helix	trans	-59.8	-46.2	176.9	178	63.8	0	0	0	112.3	M757 F758 F759 C764 L765 W876 V879	M757-L761 VanDerWaalsContact O-CB 3.25Å; M757-L761 WeakPolarHBondContact O-CB 3.32Å; M757-L761 PolarHBondContact O-N 3.44Å; F758-L761 PolarHBondContact O-N 2.78Å; F759-L761 PolarHBondContact O-N 3.29Å; L761-C764 PolarHBondContact O-N 2.8Å; L761-L765 HydrophobicContact CD1-CD1 3.89Å; L761-L765 HydrophobicContact CD1-CG 4.12Å; L761-L765 HydrophobicContact CG-CD1 4.03Å; L761-L765 WeakPolarHBondContact O-CB 3.39Å; L761-L765 VanDerWaalsContact O-CG 3.3Å; L761-L765 WeakPolarHBondContact O-CG 3.32Å; L761-L765 PolarHBondContact O-N 2.89Å; L761-W876 HydrophobicContact CD2-CH2 4.43Å; L761-W876 HydrophobicContact CD2-CZ3 4.05Å; L761-V879 HydrophobicContact CD2-CG2 4.23Å
762	I	96.4	Very high	95.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.7	-42.9	178.9	-72.6	-68.8	0	0	0	111.1	F758 F759 E760 L765 T766 L831 N878 V879 L882	F758-I762 HydrophobicContact CD1-CG1 3.94Å; F758-I762 HydrophobicContact CE1-CD1 3.97Å; F758-I762 HydrophobicContact CE1-CG1 3.4Å; F758-I762 VanDerWaalsContact CE1-CG1 3.4Å; F758-I762 HydrophobicContact CE2-CG1 4.39Å; F758-I762 HydrophobicContact CZ-CD1 3.74Å; F758-I762 HydrophobicContact CZ-CG1 3.65Å; F758-I762 WeakPolarHBondContact O-CG1 3.26Å; F758-I762 PolarHBondContact O-N 3.09Å; F759-I762 PolarHBondContact O-N 2.88Å; E760-I762 PolarHBondContact O-N 3.5Å; I762-L765 PolarHBondContact O-N 2.95Å; I762-T766 WeakPolarHBondContact O-CB 3.2Å; I762-T766 PolarHBondContact O-N 2.67Å; I762-T766 PolarHBondContact O-OG1 3.17Å; I762-L831 HydrophobicContact CB-CD2 4.07Å; I762-L831 HydrophobicContact CG2-CD1 4.4Å; I762-L831 HydrophobicContact CG2-CD2 3.95Å; I762-L831 HydrophobicContact CG2-CG 3.87Å; I762-N878 HydrophobicContact CD1-CB 4.43Å; I762-V879 HydrophobicContact CD1-CG2 3.7Å; I762-L882 HydrophobicContact CD1-CD1 3.95Å; I762-L882 HydrophobicContact CG2-CD1 4.3Å
763	L	96.7	Very high	95.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.5	-42.5	176.9	-65	-176.1	0	0	0	111.8	C683 V687 I736 M740 F759 E760 L765 T766 T767 L831	C683-L763 HydrophobicContact CB-CD2 4.33Å; V687-L763 VanDerWaalsContact CG1-O 3.27Å; V687-L763 WeakPolarHBondContact CG1-O 3.43Å; V687-L763 HydrophobicContact CG2-CD2 4.31Å; I736-L763 HydrophobicContact CG2-CB 3.9Å; M740-L763 HydrophobicContact CB-CD1 4.08Å; M740-L763 HydrophobicContact CG-CD1 3.86Å; M740-L763 HydrophobicContact SD-CD1 4.03Å; F759-L763 HydrophobicContact CD1-CD1 4.15Å; F759-L763 HydrophobicContact CE1-CD1 3.61Å; F759-L763 HydrophobicContact CE2-CD1 4.17Å; F759-L763 HydrophobicContact CZ-CD1 3.62Å; F759-L763 WeakPolarHBondContact O-CG 3.39Å; F759-L763 PolarHBondContact O-N 3.19Å; E760-L763 PolarHBondContact O-N 3.47Å; L763-L765 PolarHBondContact O-N 3.3Å; L763-T766 WeakPolarHBondContact O-CB 3.47Å; L763-T766 PolarHBondContact O-N 3.4Å; L763-T767 PolarHBondContact O-N 2.7Å; L763-L831 HydrophobicContact CD2-CD1 4.16Å
764	C	96.6	Very high	95.4	Very high	13 Å²	13	15 Å²	15	9%	0.088	9%	0.089	C	C	.	.	H	α-helix	trans	-61.4	-44.1	175.7	-68.1	0	0	0	0	112.2	V733 E760 L761 T767 L768	V733-C764 HydrophobicContact CG1-CB 4.43Å; E760-C764 WeakPolarHBondContact O-CB 3.45Å; E760-C764 PolarHBondContact O-N 3.35Å; E760-C764 PolarHBondContact O-SG 2.98Å; L761-C764 PolarHBondContact O-N 2.8Å; C764-T767 WeakPolarHBondContact O-CG2 3.45Å; C764-T767 PolarHBondContact O-N 3.16Å; C764-L768 VanDerWaalsContact O-CG 3.3Å; C764-L768 WeakPolarHBondContact O-CG 3.27Å; C764-L768 PolarHBondContact O-N 3.41Å; C764-L768 VanDerWaalsContact O-N 3.12Å
765	L	96.5	Very high	95.4	Very high	15 Å²	15	12.5 Å²	12.5	8%	0.079	6%	0.064	C	C	.	.	H	α-helix	trans	-69.1	-34.6	176.4	-69.3	175.9	0	0	0	112.4	L761 I762 L763 L768 A769 V879 L882 M883	L761-L765 HydrophobicContact CD1-CD1 3.89Å; L761-L765 HydrophobicContact CD1-CG 4.12Å; L761-L765 HydrophobicContact CG-CD1 4.03Å; L761-L765 WeakPolarHBondContact O-CB 3.39Å; L761-L765 VanDerWaalsContact O-CG 3.3Å; L761-L765 WeakPolarHBondContact O-CG 3.32Å; L761-L765 PolarHBondContact O-N 2.89Å; I762-L765 PolarHBondContact O-N 2.95Å; L763-L765 PolarHBondContact O-N 3.3Å; L765-L768 PolarHBondContact O-N 3.25Å; L765-A769 WeakPolarHBondContact O-CB 3.37Å; L765-A769 PolarHBondContact O-N 2.81Å; L765-V879 HydrophobicContact CD1-CB 4.41Å; L765-V879 HydrophobicContact CD1-CG1 3.72Å; L765-L882 HydrophobicContact CB-CB 4.06Å; L765-L882 HydrophobicContact CB-CD1 3.98Å; L765-M883 HydrophobicContact CD1-CG 4.23Å; L765-M883 HydrophobicContact CD2-CG 4.14Å; L765-M883 HydrophobicContact CD2-SD 3.5Å; L765-M883 VanDerWaalsContact CD2-SD 3.5Å
766	T	96.8	Very high	95.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.5	-45.8	174.6	-66	0	0	0	0	111.4	T684 V687 I688 I762 L763 A770 I823 S827	T684-T766 HydrophobicContact CG2-CG2 4.27Å; V687-T766 HydrophobicContact CG1-CG2 3.99Å; I688-T766 HydrophobicContact CD1-CG2 3.93Å; I688-T766 HydrophobicContact CG1-CG2 3.64Å; I762-T766 WeakPolarHBondContact O-CB 3.2Å; I762-T766 PolarHBondContact O-N 2.67Å; I762-T766 PolarHBondContact O-OG1 3.17Å; L763-T766 WeakPolarHBondContact O-CB 3.47Å; L763-T766 PolarHBondContact O-N 3.4Å; T766-A770 WeakPolarHBondContact O-CB 3.45Å; T766-A770 PolarHBondContact O-N 2.91Å; T766-I823 HydrophobicContact CG2-CG2 3.9Å; T766-S827 WeakPolarHBondContact OG1-CB 3.31Å; T766-S827 PolarHBondContact OG1-OG 2.91Å
767	T	95.7	Very high	95.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-68.6	-38.5	177.6	-144.4	0	0	0	0	112.2	V687 N691 K732 I736 L763 C764 A770 A771	V687-T767 PolarHBondContact O-OG1 3.21Å; N691-T767 PolarHBondContact ND2-O 2.65Å; N691-T767 PolarHBondContact ND2-OG1 2.99Å; K732-T767 HydrophobicContact CB-CG2 3.6Å; I736-T767 HydrophobicContact CD1-CG2 3.6Å; L763-T767 PolarHBondContact O-N 2.7Å; C764-T767 WeakPolarHBondContact O-CG2 3.45Å; C764-T767 PolarHBondContact O-N 3.16Å; T767-A770 PolarHBondContact O-N 3.14Å; T767-A771 VanDerWaalsContact O-CB 3.31Å; T767-A771 WeakPolarHBondContact O-CB 3.2Å; T767-A771 PolarHBondContact O-N 3.37Å
768	L	95.9	Very high	95.3	Very high	20 Å²	20	9.3 Å²	9.3	11%	0.105	5%	0.047	C	C	.	.	H	α-helix	trans	-70.1	-34.5	179.5	-68.9	171.8	0	0	0	112.4	I728 I729 V733 C764 L765 A772 M886	I728-L768 HydrophobicContact CG2-CD2 4.33Å; I729-L768 HydrophobicContact CG1-CD2 3.84Å; V733-L768 HydrophobicContact CG2-CD1 3.98Å; V733-L768 HydrophobicContact CG2-CD2 4.13Å; V733-L768 HydrophobicContact CG2-CG 4.12Å; C764-L768 VanDerWaalsContact O-CG 3.3Å; C764-L768 WeakPolarHBondContact O-CG 3.27Å; C764-L768 PolarHBondContact O-N 3.41Å; C764-L768 VanDerWaalsContact O-N 3.12Å; L765-L768 PolarHBondContact O-N 3.25Å; L768-A772 WeakPolarHBondContact O-CB 3.47Å; L768-A772 PolarHBondContact O-N 3.48Å; L768-M886 HydrophobicContact CB-CG 4.31Å; L768-M886 HydrophobicContact CB-SD 3.59Å; L768-M886 VanDerWaalsContact CB-SD 3.59Å; L768-M886 HydrophobicContact CD1-SD 4.35Å
769	A	96.1	Very high	95.2	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-66.2	-42.9	171.2	0	0	0	0	0	111.9	L765 A772 I773 I823 I885 M886	L765-A769 WeakPolarHBondContact O-CB 3.37Å; L765-A769 PolarHBondContact O-N 2.81Å; A769-A772 PolarHBondContact O-N 3.05Å; A769-I773 PolarHBondContact O-N 3.45Å; A769-I823 HydrophobicContact CB-CD1 3.74Å; A769-I823 HydrophobicContact CB-CG1 4.21Å; A769-I823 HydrophobicContact CB-CG2 4.46Å; A769-I885 HydrophobicContact CB-CG2 4.31Å; A769-M886 HydrophobicContact CB-CB 4.08Å
770	A	95.8	Very high	95	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-64.5	-44.5	175.1	0	0	0	0	0	111.8	I688 N691 T766 T767 A772 I773 A774 Y795 I823	I688-A770 HydrophobicContact CB-CB 4.34Å; I688-A770 HydrophobicContact CG1-CB 4.2Å; I688-A770 HydrophobicContact CG2-CB 4.13Å; N691-A770 HydrophobicContact CB-CB 4.45Å; T766-A770 WeakPolarHBondContact O-CB 3.45Å; T766-A770 PolarHBondContact O-N 2.91Å; T767-A770 PolarHBondContact O-N 3.14Å; A770-A772 VanDerWaalsContact C-N 3.31Å; A770-A772 PolarHBondContact O-N 2.93Å; A770-I773 PolarHBondContact O-N 2.81Å; A770-A774 PolarHBondContact O-N 2.86Å; A770-Y795 HydrophobicContact CB-CE1 4.46Å; A770-Y795 PolarHBondContact O-OH 3.23Å; A770-I823 HydrophobicContact CB-CD1 4.49Å
771	A	94.7	Very high	94.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-57.7	-41.1	174	0	0	0	0	0	112.1	I728 T767 I773 A774 L775	I728-A771 HydrophobicContact CG2-CB 3.94Å; T767-A771 VanDerWaalsContact O-CB 3.31Å; T767-A771 WeakPolarHBondContact O-CB 3.2Å; T767-A771 PolarHBondContact O-N 3.37Å; A771-I773 PolarHBondContact O-N 2.7Å; A771-A774 PolarHBondContact O-N 3.46Å; A771-L775 VanDerWaalsContact O-CG 3.32Å; A771-L775 WeakPolarHBondContact O-CG 3.3Å; A771-L775 PolarHBondContact O-N 3.2Å
772	A	95.4	Very high	94.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-60.4	-41.7	176.2	0	0	0	0	0	112.5	L768 A769 A770 F776 F889 Y890	L768-A772 WeakPolarHBondContact O-CB 3.47Å; L768-A772 PolarHBondContact O-N 3.48Å; A769-A772 PolarHBondContact O-N 3.05Å; A770-A772 VanDerWaalsContact C-N 3.31Å; A770-A772 PolarHBondContact O-N 2.93Å; A772-F776 WeakPolarHBondContact O-CB 3.17Å; A772-F776 PolarHBondContact O-N 3.32Å; A772-F889 HydrophobicContact CB-CB 3.73Å; A772-Y890 HydrophobicContact CB-CD1 3.95Å; A772-Y890 HydrophobicContact CB-CD2 3.95Å; A772-Y890 HydrophobicContact CB-CE1 3.91Å; A772-Y890 HydrophobicContact CB-CE2 3.92Å; A772-Y890 HydrophobicContact CB-CG 3.94Å
773	I	95.1	Very high	94	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-62.5	-49.7	172.6	-65.9	178.9	0	0	0	110.6	A769 A770 A771 L775 F776 I777 I794 Y795 M798 I823 F889	A769-I773 PolarHBondContact O-N 3.45Å; A770-I773 PolarHBondContact O-N 2.81Å; A771-I773 PolarHBondContact O-N 2.7Å; I773-L775 VanDerWaalsContact C-N 3.3Å; I773-L775 PolarHBondContact O-N 3.36Å; I773-F776 PolarHBondContact O-N 2.92Å; I773-F776 VanDerWaalsContact O-N 3.12Å; I773-I777 PolarHBondContact O-N 2.7Å; I773-I794 HydrophobicContact CG2-CG2 4.42Å; I773-Y795 HydrophobicContact CG2-CE1 4.3Å; I773-M798 HydrophobicContact CD1-CE 3.68Å; I773-M798 HydrophobicContact CD1-SD 4.15Å; I773-I823 HydrophobicContact CD1-CD1 3.55Å; I773-I823 HydrophobicContact CD1-CG1 4.49Å; I773-I823 HydrophobicContact CG1-CD1 4.45Å; I773-F889 HydrophobicContact CD1-CD2 4.15Å; I773-F889 HydrophobicContact CD1-CE2 3.88Å; I773-F889 HydrophobicContact CD1-CZ 4.24Å; I773-F889 HydrophobicContact CG1-CB 4.38Å; I773-F889 HydrophobicContact CG1-CD1 3.97Å; I773-F889 HydrophobicContact CG1-CD2 3.51Å; I773-F889 HydrophobicContact CG1-CE1 4.1Å; I773-F889 HydrophobicContact CG1-CE2 3.66Å; I773-F889 HydrophobicContact CG1-CG 3.68Å; I773-F889 HydrophobicContact CG1-CZ 3.95Å
774	A	94.1	Very high	93.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.2	-41.8	-178.2	0	0	0	0	0	112	N691 A770 A771 S778 I791	N691-A774 HydrophobicContact CB-CB 4.49Å; A770-A774 PolarHBondContact O-N 2.86Å; A771-A774 PolarHBondContact O-N 3.46Å; A774-S778 VanDerWaalsContact O-CB 3.26Å; A774-S778 WeakPolarHBondContact O-CB 3.4Å; A774-S778 PolarHBondContact O-N 3.02Å; A774-S778 PolarHBondContact O-OG 3.05Å; A774-I791 HydrophobicContact CB-CD1 4.18Å
775	L	93.3	Very high	93.5	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-65.8	-44.2	173.7	-68	176.4	0	0	0	113	T694 F698 I728 A771 I773 I777 S778 A779 Y890	T694-L775 HydrophobicContact CG2-CD2 4.26Å; F698-L775 HydrophobicContact CB-CD2 4.23Å; F698-L775 HydrophobicContact CD1-CD2 4.46Å; F698-L775 HydrophobicContact CD2-CD2 3.38Å; F698-L775 HydrophobicContact CE2-CD2 3.73Å; F698-L775 HydrophobicContact CG-CD2 3.77Å; F698-L775 HydrophobicContact CZ-CD2 4.38Å; I728-L775 HydrophobicContact CD1-CD1 3.32Å; I728-L775 HydrophobicContact CD1-CD2 3.92Å; I728-L775 HydrophobicContact CD1-CG 4.05Å; A771-L775 VanDerWaalsContact O-CG 3.32Å; A771-L775 WeakPolarHBondContact O-CG 3.3Å; A771-L775 PolarHBondContact O-N 3.2Å; I773-L775 VanDerWaalsContact C-N 3.3Å; I773-L775 PolarHBondContact O-N 3.36Å; L775-I777 VanDerWaalsContact C-N 3.33Å; L775-I777 PolarHBondContact O-N 2.77Å; L775-S778 CarbonylContact O-C 3.54Å; L775-S778 PolarHBondContact O-N 2.99Å; L775-A779 WeakPolarHBondContact O-CB 3.5Å; L775-A779 PolarHBondContact O-N 3.07Å; L775-Y890 HydrophobicContact CD1-CD1 4.32Å; L775-Y890 HydrophobicContact CD1-CE1 3.69Å
776	F	94.9	Very high	93.4	Very high	44 Å²	44	26.6 Å²	26.6	19%	0.193	16%	0.157	C	C	.	.	H	α-helix	trans	-60.2	-42.8	-179.5	167.5	-112.9	0	0	0	112.1	A772 I773 S780 F889 L892 C893 R896	A772-F776 WeakPolarHBondContact O-CB 3.17Å; A772-F776 PolarHBondContact O-N 3.32Å; I773-F776 PolarHBondContact O-N 2.92Å; I773-F776 VanDerWaalsContact O-N 3.12Å; F776-S780 WeakPolarHBondContact O-CB 3.28Å; F776-S780 PolarHBondContact O-N 3.28Å; F776-S780 VanDerWaalsContact O-N 3.14Å; F776-S780 PolarHBondContact O-OG 3Å; F776-F889 HydrophobicContact CB-CD1 4.08Å; F776-F889 AromaticContact CD1-CD1 3.72Å; F776-F889 HydrophobicContact CD1-CD1 3.72Å; F776-F889 AromaticContact CD1-CE1 3.84Å; F776-F889 HydrophobicContact CD1-CE1 3.84Å; F776-F889 HydrophobicContact CE1-CD1 4.5Å; F776-F889 HydrophobicContact CE1-CE1 4.29Å; F776-F889 HydrophobicContact CG-CD1 4.05Å; F776-L892 HydrophobicContact CD2-CB 3.62Å; F776-L892 HydrophobicContact CE2-CB 3.72Å; F776-L892 HydrophobicContact CG-CB 4.25Å; F776-L892 HydrophobicContact CZ-CB 4.43Å; F776-C893 HydrophobicContact CB-CB 4.19Å; F776-R896 HydrophobicContact CD2-CG 4.46Å; F776-R896 HydrophobicContact CE2-CG 3.98Å
777	I	94	Very high	93.3	Very high	18 Å²	18	26.6 Å²	26.6	9%	0.092	16%	0.157	C	C	.	.	H	α-helix	trans	-68.1	-42.4	174.3	-57.5	-58.8	0	0	0	110.6	I773 L775 A779 S780 V781 A787 I790 I791 I794	I773-I777 PolarHBondContact O-N 2.7Å; L775-I777 VanDerWaalsContact C-N 3.33Å; L775-I777 PolarHBondContact O-N 2.77Å; I777-A779 VanDerWaalsContact C-N 3.28Å; I777-A779 PolarHBondContact O-N 2.75Å; I777-S780 PolarHBondContact O-N 2.9Å; I777-V781 HydrophobicContact CG2-CG2 4.22Å; I777-V781 PolarHBondContact O-N 3.21Å; I777-A787 HydrophobicContact CG2-CB 4.21Å; I777-I790 HydrophobicContact CD1-CG2 4.05Å; I777-I790 HydrophobicContact CG1-CG2 4.34Å; I777-I790 HydrophobicContact CG2-CB 4.29Å; I777-I790 HydrophobicContact CG2-CG2 3.97Å; I777-I791 HydrophobicContact CB-CD1 3.9Å; I777-I791 HydrophobicContact CB-CG1 3.79Å; I777-I791 HydrophobicContact CG1-CD1 4.47Å; I777-I791 HydrophobicContact CG1-CG1 3.86Å; I777-I791 HydrophobicContact CG2-CD1 4.06Å; I777-I791 HydrophobicContact CG2-CG1 3.9Å; I777-I794 HydrophobicContact CD1-CD1 4.2Å; I777-I794 HydrophobicContact CG1-CD1 4.41Å
778	S	92.2	Very high	93.2	Very high	1 Å²	1	29 Å²	29	1%	0.007	17%	0.17	C	C	.	.	H	α-helix	trans	-70.2	-18.4	178.9	-52.7	0	0	0	0	114.4	R702 A774 L775	R702-S778 PolarHBondContact NH1-O 3.13Å; A774-S778 VanDerWaalsContact O-CB 3.26Å; A774-S778 WeakPolarHBondContact O-CB 3.4Å; A774-S778 PolarHBondContact O-N 3.02Å; A774-S778 PolarHBondContact O-OG 3.05Å; L775-S778 CarbonylContact O-C 3.54Å; L775-S778 PolarHBondContact O-N 2.99Å
779	A	92	Very high	93.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-83.9	-25.6	168.5	0	0	0	0	0	112.4	F698 R702 L775 I777 R896 L897	F698-A779 HydrophobicContact CE1-CB 4.07Å; F698-A779 HydrophobicContact CZ-CB 4.47Å; R702-A779 PolarHBondContact NH1-O 2.93Å; R702-A779 PolarHBondContact NH2-O 2.66Å; L775-A779 WeakPolarHBondContact O-CB 3.5Å; L775-A779 PolarHBondContact O-N 3.07Å; I777-A779 VanDerWaalsContact C-N 3.28Å; I777-A779 PolarHBondContact O-N 2.75Å; A779-R896 HydrophobicContact CB-CB 4.29Å; A779-L897 HydrophobicContact CB-CD2 4Å; A779-L897 HydrophobicContact CB-CG 4.16Å
780	S	91.2	Very high	93	Very high	47 Å²	47	32.7 Å²	32.7	33%	0.329	20%	0.195	S	C	.	.	H	α-helix	trans	-86.8	-43.7	-179.8	-60.2	0	0	0	0	112.7	F776 I777	F776-S780 WeakPolarHBondContact O-CB 3.28Å; F776-S780 PolarHBondContact O-N 3.28Å; F776-S780 VanDerWaalsContact O-N 3.14Å; F776-S780 PolarHBondContact O-OG 3Å; I777-S780 PolarHBondContact O-N 2.9Å
781	V	91	Very high	93	Very high	26 Å²	26	32.7 Å²	32.7	16%	0.158	20%	0.195	C	C	.	.			trans	-101.4	139.7	-177.2	178.6	0	0	0	0	109.8	R702 I777 V783 L786 A787 I790	R702-V781 PolarHBondContact NH1-O 3.38Å; I777-V781 HydrophobicContact CG2-CG2 4.22Å; I777-V781 PolarHBondContact O-N 3.21Å; V781-V783 WeakPolarHBondContact CG1-O 3.32Å; V781-L786 HydrophobicContact CG1-CB 4.01Å; V781-L786 HydrophobicContact CG1-CD2 3.96Å; V781-L786 HydrophobicContact CG1-CG 3.97Å; V781-A787 HydrophobicContact CB-CB 4.19Å; V781-A787 HydrophobicContact CG1-CB 4.09Å; V781-I790 HydrophobicContact CG2-CD1 4.12Å
782	T	85.6	Confident	93	Very high	97 Å²	97	34.2 Å²	34.2	60%	0.595	21%	0.206	S	C	*	.			trans	-93.5	-23.2	178	45.3	0	0	0	0	113.9
783	V	90.9	Very high	92.9	Very high	76 Å²	76	40 Å²	40	46%	0.461	24%	0.235	S	C	.	.			trans	-97.1	120.6	-174.1	-178.9	0	0	0	0	110.6	V781 G785 L786 A787	V781-V783 WeakPolarHBondContact CG1-O 3.32Å; V783-G785 PolarHBondContact O-N 3.4Å; V783-L786 HydrophobicContact CB-CB 4.29Å; V783-L786 HydrophobicContact CG1-CB 4.49Å; V783-L786 PolarHBondContact O-N 2.69Å; V783-A787 PolarHBondContact O-N 3.26Å
784	F	90.4	Very high	92.9	Very high	87 Å²	87	42.3 Å²	42.3	38%	0.382	25%	0.247	S	C	.	.	H	α-helix	trans	-52.4	-51.5	-178.6	169.5	-106.5	0	0	0	113.6	I695 E696 I699 L786 A787 N788	I695-F784 HydrophobicContact CB-CD2 4.28Å; I695-F784 HydrophobicContact CB-CE2 4.17Å; I695-F784 HydrophobicContact CG2-CD2 3.77Å; I695-F784 HydrophobicContact CG2-CE2 4.11Å; E696-F784 HydrophobicContact CB-CD2 3.95Å; E696-F784 HydrophobicContact CB-CE2 3.78Å; E696-F784 HydrophobicContact CG-CD2 4.33Å; E696-F784 HydrophobicContact CG-CE2 4.39Å; I699-F784 HydrophobicContact CD1-CB 4.21Å; F784-L786 VanDerWaalsContact C-N 3.31Å; F784-L786 PolarHBondContact O-N 2.96Å; F784-A787 PolarHBondContact O-N 3.36Å; F784-N788 WeakPolarHBondContact O-CB 3.42Å; F784-N788 PolarHBondContact O-N 2.85Å
785	G	92.7	Very high	92.9	Very high	44 Å²	44	42.4 Å²	42.4	45%	0.454	25%	0.248	S	C	.	.	H	α-helix	trans	-60	-38.7	-177.6	0	0	0	0	0	113.6	V783 A789	V783-G785 PolarHBondContact O-N 3.4Å; G785-A789 WeakPolarHBondContact O-CB 3.3Å; G785-A789 PolarHBondContact O-N 3.21Å
786	L	93.6	Very high	92.9	Very high	95 Å²	95	46.2 Å²	46.2	50%	0.497	27%	0.271	S	S	.	.	H	α-helix	trans	-70.8	-42.3	176.8	-179.5	59.4	0	0	0	111.6	V781 V783 F784 A789 I790	V781-L786 HydrophobicContact CG1-CB 4.01Å; V781-L786 HydrophobicContact CG1-CD2 3.96Å; V781-L786 HydrophobicContact CG1-CG 3.97Å; V783-L786 HydrophobicContact CB-CB 4.29Å; V783-L786 HydrophobicContact CG1-CB 4.49Å; V783-L786 PolarHBondContact O-N 2.69Å; F784-L786 VanDerWaalsContact C-N 3.31Å; F784-L786 PolarHBondContact O-N 2.96Å; L786-A789 PolarHBondContact O-N 2.86Å; L786-I790 HydrophobicContact CD1-CD1 3.88Å; L786-I790 HydrophobicContact CD1-CG1 4.29Å; L786-I790 HydrophobicContact CG-CD1 3.89Å; L786-I790 WeakPolarHBondContact O-CD1 3.39Å; L786-I790 VanDerWaalsContact O-CG1 3.29Å; L786-I790 WeakPolarHBondContact O-CG1 3.3Å; L786-I790 PolarHBondContact O-N 3.47Å
787	A	93.9	Very high	92.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.8	-44.3	175.8	0	0	0	0	0	111.7	I695 I699 I777 V781 V783 F784 I790 I791	I695-A787 HydrophobicContact CG2-CB 3.72Å; I699-A787 HydrophobicContact CD1-CB 4.23Å; I777-A787 HydrophobicContact CG2-CB 4.21Å; V781-A787 HydrophobicContact CB-CB 4.19Å; V781-A787 HydrophobicContact CG1-CB 4.09Å; V783-A787 PolarHBondContact O-N 3.26Å; F784-A787 PolarHBondContact O-N 3.36Å; A787-I790 PolarHBondContact O-N 3.41Å; A787-I791 WeakPolarHBondContact O-CD1 3.45Å; A787-I791 WeakPolarHBondContact O-CG1 3.38Å; A787-I791 PolarHBondContact O-N 3.48Å
788	N	93.6	Very high	92.7	Very high	51 Å²	51	49.5 Å²	49.5	27%	0.273	29%	0.285	S	S	.	.	H	α-helix	trans	-63	-43.2	177.5	-173.1	57.7	0	0	0	112.6	I695 F784 S792	I695-N788 HydrophobicContact CD1-CB 4.18Å; F784-N788 WeakPolarHBondContact O-CB 3.42Å; F784-N788 PolarHBondContact O-N 2.85Å; N788-S792 VanDerWaalsContact O-CB 3.27Å; N788-S792 WeakPolarHBondContact O-CB 3.44Å; N788-S792 PolarHBondContact O-N 2.93Å; N788-S792 PolarHBondContact O-OG 3Å
789	A	94.7	Very high	92.8	Very high	45 Å²	45	50.7 Å²	50.7	37%	0.372	29%	0.291	S	S	.	.	H	α-helix	trans	-61.3	-47.5	175.1	0	0	0	0	0	111.9	G785 L786 S792 I793	G785-A789 WeakPolarHBondContact O-CB 3.3Å; G785-A789 PolarHBondContact O-N 3.21Å; L786-A789 PolarHBondContact O-N 2.86Å; A789-S792 PolarHBondContact O-N 3.12Å; A789-I793 WeakPolarHBondContact O-CD1 3.4Å; A789-I793 VanDerWaalsContact O-CG1 3.28Å; A789-I793 WeakPolarHBondContact O-CG1 3.25Å; A789-I793 PolarHBondContact O-N 2.94Å
790	I	95	Very high	92.7	Very high	53 Å²	53	52 Å²	52	27%	0.272	30%	0.301	S	S	.	.	H	α-helix	trans	-61.5	-48.2	179.6	-70.3	165.8	0	0	0	111.2	I777 V781 L786 A787 S792 I793 I794	I777-I790 HydrophobicContact CD1-CG2 4.05Å; I777-I790 HydrophobicContact CG1-CG2 4.34Å; I777-I790 HydrophobicContact CG2-CB 4.29Å; I777-I790 HydrophobicContact CG2-CG2 3.97Å; V781-I790 HydrophobicContact CG2-CD1 4.12Å; L786-I790 HydrophobicContact CD1-CD1 3.88Å; L786-I790 HydrophobicContact CD1-CG1 4.29Å; L786-I790 HydrophobicContact CG-CD1 3.89Å; L786-I790 WeakPolarHBondContact O-CD1 3.39Å; L786-I790 VanDerWaalsContact O-CG1 3.29Å; L786-I790 WeakPolarHBondContact O-CG1 3.3Å; L786-I790 PolarHBondContact O-N 3.47Å; A787-I790 PolarHBondContact O-N 3.41Å; I790-S792 PolarHBondContact O-N 2.89Å; I790-I793 PolarHBondContact O-N 2.86Å; I790-I794 HydrophobicContact CG2-CD1 3.76Å; I790-I794 VanDerWaalsContact O-CG1 3.3Å; I790-I794 WeakPolarHBondContact O-CG1 3.44Å; I790-I794 PolarHBondContact O-N 2.9Å
791	I	94.3	Very high	92.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65	-41.4	179.8	-66.9	159.6	0	0	0	110.9	L692 I695 A774 I777 A787 I793 I794 Y795	L692-I791 HydrophobicContact CD2-CB 4.2Å; L692-I791 HydrophobicContact CD2-CG2 3.63Å; I695-I791 HydrophobicContact CD1-CB 4.36Å; I695-I791 HydrophobicContact CD1-CD1 3.37Å; I695-I791 HydrophobicContact CD1-CG1 4.45Å; I695-I791 HydrophobicContact CG1-CD1 3.54Å; A774-I791 HydrophobicContact CB-CD1 4.18Å; I777-I791 HydrophobicContact CB-CD1 3.9Å; I777-I791 HydrophobicContact CB-CG1 3.79Å; I777-I791 HydrophobicContact CG1-CD1 4.47Å; I777-I791 HydrophobicContact CG1-CG1 3.86Å; I777-I791 HydrophobicContact CG2-CD1 4.06Å; I777-I791 HydrophobicContact CG2-CG1 3.9Å; A787-I791 WeakPolarHBondContact O-CD1 3.45Å; A787-I791 WeakPolarHBondContact O-CG1 3.38Å; A787-I791 PolarHBondContact O-N 3.48Å; I791-I793 PolarHBondContact O-N 3.25Å; I791-I794 PolarHBondContact O-N 3.37Å; I791-Y795 HydrophobicContact CG2-CD1 4.21Å; I791-Y795 HydrophobicContact CG2-CD2 3.88Å; I791-Y795 HydrophobicContact CG2-CE1 3.83Å; I791-Y795 HydrophobicContact CG2-CE2 3.48Å; I791-Y795 VanDerWaalsContact CG2-CE2 3.48Å; I791-Y795 HydrophobicContact CG2-CG 4.23Å; I791-Y795 VanDerWaalsContact CG2-CZ 3.44Å; I791-Y795 PolarHBondContact O-N 3.44Å
792	S	94.3	Very high	92.5	Very high	32 Å²	32	49.5 Å²	49.5	22%	0.224	28%	0.283	C	S	.	.	H	α-helix	trans	-60.5	-43.7	177.2	-59.9	0	0	0	0	111.9	N788 A789 I790 Y795 V796	N788-S792 VanDerWaalsContact O-CB 3.27Å; N788-S792 WeakPolarHBondContact O-CB 3.44Å; N788-S792 PolarHBondContact O-N 2.93Å; N788-S792 PolarHBondContact O-OG 3Å; A789-S792 PolarHBondContact O-N 3.12Å; I790-S792 PolarHBondContact O-N 2.89Å; S792-Y795 PolarHBondContact O-N 3.49Å; S792-V796 WeakPolarHBondContact O-CB 3.47Å; S792-V796 VanDerWaalsContact O-CG2 3.32Å; S792-V796 WeakPolarHBondContact O-CG2 3.29Å; S792-V796 PolarHBondContact O-N 3.37Å
793	I	94.7	Very high	92.5	Very high	120 Å²	120	45.2 Å²	45.2	62%	0.615	26%	0.258	S	S	*	.	H	α-helix	trans	-62.6	-44.9	175.5	-68.3	164.1	0	0	0	110.7	A789 I790 I791 Y795 V796 F797	A789-I793 WeakPolarHBondContact O-CD1 3.4Å; A789-I793 VanDerWaalsContact O-CG1 3.28Å; A789-I793 WeakPolarHBondContact O-CG1 3.25Å; A789-I793 PolarHBondContact O-N 2.94Å; I790-I793 PolarHBondContact O-N 2.86Å; I791-I793 PolarHBondContact O-N 3.25Å; I793-Y795 PolarHBondContact O-N 3.4Å; I793-V796 PolarHBondContact O-N 3.43Å; I793-F797 VanDerWaalsContact O-CB 3.28Å; I793-F797 WeakPolarHBondContact O-CB 3.45Å; I793-F797 PolarHBondContact O-N 3.04Å
794	I	94	Very high	92.3	Very high	51 Å²	51	44.9 Å²	44.9	26%	0.262	25%	0.251	S	S	.	.	H	α-helix	trans	-61	-45.1	177.7	-69	165.9	0	0	0	111	I773 I777 I790 I791 F797 M798	I773-I794 HydrophobicContact CG2-CG2 4.42Å; I777-I794 HydrophobicContact CD1-CD1 4.2Å; I777-I794 HydrophobicContact CG1-CD1 4.41Å; I790-I794 HydrophobicContact CG2-CD1 3.76Å; I790-I794 VanDerWaalsContact O-CG1 3.3Å; I790-I794 WeakPolarHBondContact O-CG1 3.44Å; I790-I794 PolarHBondContact O-N 2.9Å; I791-I794 PolarHBondContact O-N 3.37Å; I794-F797 PolarHBondContact O-N 2.91Å; I794-M798 HydrophobicContact CG2-CE 3.92Å; I794-M798 HydrophobicContact CG2-SD 4.36Å; I794-M798 WeakPolarHBondContact O-CG 3.46Å; I794-M798 PolarHBondContact O-N 3.48Å
795	Y	94.7	Very high	92	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	26%	0.258	C	S	.	.	H	α-helix	trans	-66.9	-43.1	179.2	-70	-8.3	0	0	0	112.6	I688 F689 L692 A770 I773 I791 S792 I793 F797 M798 M799	I688-Y795 HydrophobicContact CG2-CD1 3.89Å; I688-Y795 HydrophobicContact CG2-CD2 3.63Å; I688-Y795 HydrophobicContact CG2-CE1 4Å; I688-Y795 HydrophobicContact CG2-CE2 3.74Å; I688-Y795 HydrophobicContact CG2-CG 3.71Å; F689-Y795 HydrophobicContact CD2-CD2 4.31Å; F689-Y795 HydrophobicContact CE2-CD2 4.27Å; F689-Y795 HydrophobicContact CE2-CG 4.46Å; F689-Y795 HydrophobicContact CZ-CD2 4.49Å; L692-Y795 HydrophobicContact CD2-CD2 4.3Å; L692-Y795 HydrophobicContact CD2-CE2 4.11Å; L692-Y795 HydrophobicContact CG-CE2 4.48Å; A770-Y795 HydrophobicContact CB-CE1 4.46Å; A770-Y795 PolarHBondContact O-OH 3.23Å; I773-Y795 HydrophobicContact CG2-CE1 4.3Å; I791-Y795 HydrophobicContact CG2-CD1 4.21Å; I791-Y795 HydrophobicContact CG2-CD2 3.88Å; I791-Y795 HydrophobicContact CG2-CE1 3.83Å; I791-Y795 HydrophobicContact CG2-CE2 3.48Å; I791-Y795 VanDerWaalsContact CG2-CE2 3.48Å; I791-Y795 HydrophobicContact CG2-CG 4.23Å; I791-Y795 VanDerWaalsContact CG2-CZ 3.44Å; I791-Y795 PolarHBondContact O-N 3.44Å; S792-Y795 PolarHBondContact O-N 3.49Å; I793-Y795 PolarHBondContact O-N 3.4Å; Y795-F797 VanDerWaalsContact C-N 3.31Å; Y795-F797 PolarHBondContact O-N 3.07Å; Y795-M798 PolarHBondContact O-N 3.09Å; Y795-M799 VanDerWaalsContact O-CB 3.22Å; Y795-M799 WeakPolarHBondContact O-CB 3.48Å; Y795-M799 PolarHBondContact O-N 3.29Å
796	V	93.7	Very high	91.6	Very high	83 Å²	83	46.7 Å²	46.7	50%	0.503	25%	0.253	S	S	.	.	H	α-helix	trans	-63.5	-37.2	174.9	171.2	0	0	0	0	111.5	F689 S792 I793 M799 A800	F689-V796 HydrophobicContact CZ-CG2 4.2Å; S792-V796 WeakPolarHBondContact O-CB 3.47Å; S792-V796 VanDerWaalsContact O-CG2 3.32Å; S792-V796 WeakPolarHBondContact O-CG2 3.29Å; S792-V796 PolarHBondContact O-N 3.37Å; I793-V796 PolarHBondContact O-N 3.43Å; V796-M799 HydrophobicContact CG2-CE 4.3Å; V796-M799 WeakPolarHBondContact O-CB 3.1Å; V796-M799 PolarHBondContact O-N 2.79Å; V796-A800 PolarHBondContact O-N 3.4Å
797	F	91.7	Very high	91.1	Very high	109 Å²	109	45.1 Å²	45.1	48%	0.478	25%	0.245	S	C	.	.	H	α-helix	trans	-66.3	-48.5	174.7	-168	-96.9	0	0	0	111.6	I793 I794 Y795 M799 A800 F801 L818	I793-F797 VanDerWaalsContact O-CB 3.28Å; I793-F797 WeakPolarHBondContact O-CB 3.45Å; I793-F797 PolarHBondContact O-N 3.04Å; I794-F797 PolarHBondContact O-N 2.91Å; Y795-F797 VanDerWaalsContact C-N 3.31Å; Y795-F797 PolarHBondContact O-N 3.07Å; F797-M799 VanDerWaalsContact C-N 3.28Å; F797-M799 PolarHBondContact O-N 3.45Å; F797-A800 PolarHBondContact O-N 3.33Å; F797-F801 HydrophobicContact CD1-CD2 4.2Å; F797-F801 HydrophobicContact CD1-CE2 4.06Å; F797-F801 HydrophobicContact CD2-CE2 4.33Å; F797-F801 HydrophobicContact CE1-CD2 4.06Å; F797-F801 AromaticContact CE1-CE2 3.62Å; F797-F801 HydrophobicContact CE1-CE2 3.62Å; F797-F801 AromaticContact CE2-CE2 3.93Å; F797-F801 HydrophobicContact CE2-CE2 3.93Å; F797-F801 HydrophobicContact CG-CE2 4.4Å; F797-F801 HydrophobicContact CZ-CD2 4.45Å; F797-F801 AromaticContact CZ-CE2 3.57Å; F797-F801 HydrophobicContact CZ-CE2 3.57Å; F797-F801 HydrophobicContact CZ-CZ 4.29Å; F797-F801 VanDerWaalsContact O-CD2 3.27Å; F797-F801 WeakPolarHBondContact O-CD2 3.38Å; F797-L818 HydrophobicContact CE1-CD1 4.04Å; F797-L818 HydrophobicContact CE1-CD2 4.15Å; F797-L818 HydrophobicContact CZ-CD1 3.79Å
798	M	93	Very high	90.2	Very high	21 Å²	21	45.3 Å²	45.3	10%	0.103	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-37	175.6	-70.9	-171.9	177.4	0	0	112.6	I773 I794 Y795 A800 F801 S802 F821 S822 I823 F824	I773-M798 HydrophobicContact CD1-CE 3.68Å; I773-M798 HydrophobicContact CD1-SD 4.15Å; I794-M798 HydrophobicContact CG2-CE 3.92Å; I794-M798 HydrophobicContact CG2-SD 4.36Å; I794-M798 WeakPolarHBondContact O-CG 3.46Å; I794-M798 PolarHBondContact O-N 3.48Å; Y795-M798 PolarHBondContact O-N 3.09Å; M798-A800 PolarHBondContact O-N 2.91Å; M798-F801 CarbonylContact O-C 3.48Å; M798-F801 PolarHBondContact O-N 2.98Å; M798-S802 PolarHBondContact O-N 3.43Å; M798-F821 WeakPolarHBondContact CE-O 3.45Å; M798-S822 PolarHBondContact O-OG 3.01Å; M798-I823 HydrophobicContact SD-CB 4.37Å; M798-I823 HydrophobicContact SD-CD1 4.34Å; M798-I823 HydrophobicContact SD-CG1 4.1Å; M798-F824 HydrophobicContact CB-CD2 3.95Å; M798-F824 HydrophobicContact CB-CE2 4.38Å
799	M	93.3	Very high	89.4	Confident	26 Å²	26	48 Å²	48	13%	0.128	26%	0.255	C	S	.	.	H	α-helix	trans	-59.8	-41	177	-177.7	-164.1	-52.4	0	0	112.5	Y681 L685 F689 Y795 V796 F797 F801 S802 L805 F824	Y681-M799 HydrophobicContact CE2-CG 4.14Å; Y681-M799 WeakPolarHBondContact OH-CG 3.3Å; Y681-M799 PolarHBondContact OH-SD 2.99Å; L685-M799 HydrophobicContact CD1-CE 3.34Å; L685-M799 HydrophobicContact CD1-SD 4.14Å; F689-M799 HydrophobicContact CE2-CE 3.46Å; F689-M799 VanDerWaalsContact CE2-CE 3.46Å; F689-M799 HydrophobicContact CZ-CE 3.56Å; Y795-M799 VanDerWaalsContact O-CB 3.22Å; Y795-M799 WeakPolarHBondContact O-CB 3.48Å; Y795-M799 PolarHBondContact O-N 3.29Å; V796-M799 HydrophobicContact CG2-CE 4.3Å; V796-M799 WeakPolarHBondContact O-CB 3.1Å; V796-M799 PolarHBondContact O-N 2.79Å; F797-M799 VanDerWaalsContact C-N 3.28Å; F797-M799 PolarHBondContact O-N 3.45Å; M799-F801 VanDerWaalsContact C-N 3.32Å; M799-F801 PolarHBondContact O-N 3.35Å; M799-S802 WeakPolarHBondContact O-CB 3.38Å; M799-S802 PolarHBondContact O-N 3.41Å; M799-S802 VanDerWaalsContact O-N 3.16Å; M799-S802 PolarHBondContact O-OG 2.88Å; M799-L805 HydrophobicContact CG-CD1 4.46Å; M799-F824 HydrophobicContact CB-CD1 4.48Å; M799-F824 HydrophobicContact CB-CD2 4.18Å; M799-F824 HydrophobicContact CB-CE1 4.11Å; M799-F824 HydrophobicContact CB-CE2 3.76Å; M799-F824 HydrophobicContact CB-CZ 3.73Å; M799-F824 HydrophobicContact CE-CZ 4.25Å; M799-F824 HydrophobicContact CG-CD1 4.48Å; M799-F824 HydrophobicContact CG-CE1 3.98Å; M799-F824 HydrophobicContact CG-CE2 4.5Å; M799-F824 HydrophobicContact CG-CZ 4Å
800	A	90.4	Very high	88.8	Confident	27 Å²	27	50.1 Å²	50.1	22%	0.223	27%	0.268	C	S	.	.	H	α-helix	trans	-62.1	-38.1	176.7	0	0	0	0	0	112.4	V796 F797 M798 S802 I806	V796-A800 PolarHBondContact O-N 3.4Å; F797-A800 PolarHBondContact O-N 3.33Å; M798-A800 PolarHBondContact O-N 2.91Å; A800-S802 PolarHBondContact O-N 3.29Å; A800-I806 HydrophobicContact CB-CD1 4.33Å
801	F	89.3	Confident	88.2	Confident	18 Å²	18	48.9 Å²	48.9	8%	0.079	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	16.1	176.9	-63.5	-76.8	0	0	0	114.3	F797 M798 M799 G803 M811 L815 L818	F797-F801 HydrophobicContact CD1-CD2 4.2Å; F797-F801 HydrophobicContact CD1-CE2 4.06Å; F797-F801 HydrophobicContact CD2-CE2 4.33Å; F797-F801 HydrophobicContact CE1-CD2 4.06Å; F797-F801 AromaticContact CE1-CE2 3.62Å; F797-F801 HydrophobicContact CE1-CE2 3.62Å; F797-F801 AromaticContact CE2-CE2 3.93Å; F797-F801 HydrophobicContact CE2-CE2 3.93Å; F797-F801 HydrophobicContact CG-CE2 4.4Å; F797-F801 HydrophobicContact CZ-CD2 4.45Å; F797-F801 AromaticContact CZ-CE2 3.57Å; F797-F801 HydrophobicContact CZ-CE2 3.57Å; F797-F801 HydrophobicContact CZ-CZ 4.29Å; F797-F801 VanDerWaalsContact O-CD2 3.27Å; F797-F801 WeakPolarHBondContact O-CD2 3.38Å; M798-F801 CarbonylContact O-C 3.48Å; M798-F801 PolarHBondContact O-N 2.98Å; M799-F801 VanDerWaalsContact C-N 3.32Å; M799-F801 PolarHBondContact O-N 3.35Å; F801-G803 VanDerWaalsContact C-N 3.26Å; F801-G803 PolarHBondContact O-N 3.49Å; F801-M811 HydrophobicContact CD1-CE 3.77Å; F801-M811 HydrophobicContact CD1-SD 3.67Å; F801-M811 HydrophobicContact CE1-CE 4.21Å; F801-M811 HydrophobicContact CE1-SD 3.86Å; F801-L815 HydrophobicContact CE1-CB 4.38Å; F801-L815 HydrophobicContact CZ-CD2 4.39Å; F801-L818 HydrophobicContact CD1-CB 4.26Å; F801-L818 HydrophobicContact CD2-CB 4.28Å; F801-L818 HydrophobicContact CE1-CB 4.27Å; F801-L818 HydrophobicContact CE1-CD1 4.21Å; F801-L818 HydrophobicContact CE2-CB 4.31Å; F801-L818 HydrophobicContact CE2-CD1 3.96Å; F801-L818 HydrophobicContact CG-CB 4.29Å; F801-L818 HydrophobicContact CZ-CB 4.3Å; F801-L818 HydrophobicContact CZ-CD1 3.67Å
802	S	89.7	Confident	87.8	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.021	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-28.9	175.6	55.8	0	0	0	0	114.4	M798 M799 A800 F804 R825	M798-S802 PolarHBondContact O-N 3.43Å; M799-S802 WeakPolarHBondContact O-CB 3.38Å; M799-S802 PolarHBondContact O-N 3.41Å; M799-S802 VanDerWaalsContact O-N 3.16Å; M799-S802 PolarHBondContact O-OG 2.88Å; A800-S802 PolarHBondContact O-N 3.29Å; S802-F804 PolarHBondContact OG-N 3.03Å; S802-R825 VanDerWaalsContact O-CD 3.29Å; S802-R825 WeakPolarHBondContact O-CD 3.23Å
803	G	84.3	Confident	87.3	Confident	7 Å²	7	55.9 Å²	55.9	7%	0.072	31%	0.307	C	S	.	.	S	Bend	trans	90.7	-9.3	-167.2	0	0	0	0	0	114.5	F801 I806 Q865	F801-G803 VanDerWaalsContact C-N 3.26Å; F801-G803 PolarHBondContact O-N 3.49Å; G803-I806 CarbonylContact C-O 3.59Å; G803-I806 WeakPolarHBondContact CA-O 3.27Å; G803-Q865 PolarHBondContact O-OE1 3.26Å
804	F	86.1	Confident	87	Confident	69 Å²	69	59 Å²	59	30%	0.303	31%	0.311	S	S	.	.	S	Bend	trans	-85.3	-49.9	177.9	179.5	-110.1	0	0	0	112.5	Y681 S802	Y681-F804 AromaticContact CD1-CD1 3.66Å; Y681-F804 HydrophobicContact CD1-CD1 3.66Å; Y681-F804 AromaticContact CD1-CE1 3.73Å; Y681-F804 HydrophobicContact CD1-CE1 3.73Å; Y681-F804 HydrophobicContact CD2-CB 3.66Å; Y681-F804 AromaticContact CD2-CD1 3.45Å; Y681-F804 HydrophobicContact CD2-CD1 3.45Å; Y681-F804 VanDerWaalsContact CD2-CD1 3.45Å; Y681-F804 HydrophobicContact CD2-CE1 4.33Å; Y681-F804 AromaticContact CD2-CG 3.78Å; Y681-F804 HydrophobicContact CD2-CG 3.78Å; Y681-F804 AromaticContact CE1-CD1 3.96Å; Y681-F804 HydrophobicContact CE1-CD1 3.96Å; Y681-F804 HydrophobicContact CE1-CE1 4.14Å; Y681-F804 HydrophobicContact CE2-CB 4.11Å; Y681-F804 AromaticContact CE2-CD1 3.75Å; Y681-F804 HydrophobicContact CE2-CD1 3.75Å; Y681-F804 HydrophobicContact CE2-CG 4.34Å; Y681-F804 HydrophobicContact CG-CB 4.29Å; Y681-F804 AromaticContact CG-CD1 3.38Å; Y681-F804 HydrophobicContact CG-CD1 3.38Å; Y681-F804 AromaticContact CG-CE1 3.82Å; Y681-F804 HydrophobicContact CG-CE1 3.82Å; Y681-F804 AromaticContact CG-CG 3.92Å; Y681-F804 HydrophobicContact CG-CG 3.92Å; Y681-F804 AromaticContact CZ-CD1 3.99Å; S802-F804 PolarHBondContact OG-N 3.03Å
805	L	86	Confident	86.6	Confident	101 Å²	101	58.9 Å²	58.9	53%	0.529	31%	0.311	S	S	.	.	S	Bend	trans	-76.7	-27	-179.2	-64.7	-176.7	0	0	0	113.7	Y681 M799	Y681-L805 HydrophobicContact CE2-CG 4.34Å; Y681-L805 WeakPolarHBondContact OH-CD1 3.47Å; M799-L805 HydrophobicContact CG-CD1 4.46Å
806	I	84.3	Confident	86	Confident	69 Å²	69	59.9 Å²	59.9	35%	0.354	32%	0.318	S	S	.	.	S	Bend	trans	-138.8	120.9	-176	-52	174.9	0	0	0	107.4	A800 G803 L808 M811	A800-I806 HydrophobicContact CB-CD1 4.33Å; G803-I806 CarbonylContact C-O 3.59Å; G803-I806 WeakPolarHBondContact CA-O 3.27Å; I806-L808 PolarHBondContact O-N 2.93Å; I806-M811 HydrophobicContact CB-CE 3.6Å; I806-M811 HydrophobicContact CD1-CE 4.44Å; I806-M811 HydrophobicContact CG2-CE 3.5Å; I806-M811 VanDerWaalsContact CG2-CE 3.5Å; I806-M811 HydrophobicContact CG2-CG 4.09Å
807	N	81.3	Confident	85.7	Confident	62 Å²	62	62.5 Å²	62.5	33%	0.332	32%	0.319	S	S	.	.			trans	-64.4	126.5	176.4	-175.5	-38.8	0	0	0	109.7	K809 S810	N807-K809 VanDerWaalsContact C-N 3.28Å; N807-K809 PolarHBondContact O-N 3.46Å; N807-K809 WeakPolarHBondContact OD1-CB 3.28Å; N807-K809 PolarHBondContact OD1-N 2.79Å; N807-S810 PolarHBondContact O-N 3.07Å; N807-S810 VanDerWaalsContact O-N 3.15Å; N807-S810 PolarHBondContact O-OG 2.91Å
808	L	75.5	Confident	85.5	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.021	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-64.6	-31.3	-174.2	-66	159.6	0	0	0	112.8	I806 S810 M811 R819 Q865	I806-L808 PolarHBondContact O-N 2.93Å; L808-S810 PolarHBondContact O-N 2.92Å; L808-M811 HydrophobicContact CD2-CE 3.8Å; L808-M811 HydrophobicContact CD2-SD 3.82Å; L808-M811 PolarHBondContact O-N 3.19Å; L808-R819 HydrophobicContact CD2-CB 4.12Å; L808-Q865 WeakPolarHBondContact CD1-O 3.27Å
809	K	78	Confident	85.2	Confident	106 Å²	106	59.1 Å²	59.1	46%	0.461	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-65.2	-21.5	177.1	-63.6	-176.2	178.1	-179.5	0	113.2	N807 E863 D864 E866	N807-K809 VanDerWaalsContact C-N 3.28Å; N807-K809 PolarHBondContact O-N 3.46Å; N807-K809 WeakPolarHBondContact OD1-CB 3.28Å; N807-K809 PolarHBondContact OD1-N 2.79Å; K809-E863 WeakPolarHBondContact CE-O 3.3Å; K809-E863 PolarHBondContact NZ-O 3.25Å; K809-D864 VanDerWaalsContact CE-O 3.32Å; K809-D864 WeakPolarHBondContact CE-O 3.45Å; K809-D864 IonicContact NZ-OD1 2.78Å; K809-D864 PolarHBondContact NZ-OD1 3.36Å; K809-E866 HydrophobicContact CG-CG 4.19Å
810	S	82.2	Confident	85	Confident	91 Å²	91	63.1 Å²	63.1	64%	0.636	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-94.2	-3	177.9	69.9	0	0	0	0	114	N807 L808	N807-S810 PolarHBondContact O-N 3.07Å; N807-S810 VanDerWaalsContact O-N 3.15Å; N807-S810 PolarHBondContact O-OG 2.91Å; L808-S810 PolarHBondContact O-N 2.92Å
811	M	81.8	Confident	84.9	Confident	26 Å²	26	68 Å²	68	13%	0.128	33%	0.334	C	S	.	.	S	Bend	trans	-76.4	136.4	178.9	-65.1	-171.8	-179.2	0	0	111.8	F801 I806 L808 V813	F801-M811 HydrophobicContact CD1-CE 3.77Å; F801-M811 HydrophobicContact CD1-SD 3.67Å; F801-M811 HydrophobicContact CE1-CE 4.21Å; F801-M811 HydrophobicContact CE1-SD 3.86Å; I806-M811 HydrophobicContact CB-CE 3.6Å; I806-M811 HydrophobicContact CD1-CE 4.44Å; I806-M811 HydrophobicContact CG2-CE 3.5Å; I806-M811 VanDerWaalsContact CG2-CE 3.5Å; I806-M811 HydrophobicContact CG2-CG 4.09Å; L808-M811 HydrophobicContact CD2-CE 3.8Å; L808-M811 HydrophobicContact CD2-SD 3.82Å; L808-M811 PolarHBondContact O-N 3.19Å; M811-V813 PolarHBondContact O-N 3.48Å
812	A	84.5	Confident	85.1	Confident	49 Å²	49	67.2 Å²	67.2	41%	0.405	33%	0.331	S	S	.	.			trans	-59.1	138.2	172.1	0	0	0	0	0	111	W814 L815 S816	A812-W814 PolarHBondContact O-N 3.09Å; A812-L815 PolarHBondContact O-N 2.92Å; A812-S816 PolarHBondContact O-N 2.89Å
813	V	84.5	Confident	85.4	Confident	131 Å²	131	67.1 Å²	67.1	79%	0.794	33%	0.33	S	S	*	.	H	α-helix	trans	-53.8	-36.2	-173.3	-176	0	0	0	0	112.6	M811 L815 S816	M811-V813 PolarHBondContact O-N 3.48Å; V813-L815 PolarHBondContact O-N 3.34Å; V813-S816 PolarHBondContact O-N 3Å
814	W	88.2	Confident	85.9	Confident	184 Å²	184	66.8 Å²	66.8	70%	0.697	33%	0.327	S	S	*	.	H	α-helix	trans	-67.9	-15.4	178.4	76.4	-93.5	0	0	0	114.8	A812 W817	A812-W814 PolarHBondContact O-N 3.09Å; W814-W817 PolarHBondContact O-NE1 3.36Å
815	L	85.8	Confident	86.2	Confident	49 Å²	49	64.3 Å²	64.3	26%	0.257	32%	0.316	S	S	.	.	H	α-helix	trans	-99.5	-24.6	171.2	-73.8	169.8	0	0	0	112.7	F801 A812 V813 W817 L818	F801-L815 HydrophobicContact CE1-CB 4.38Å; F801-L815 HydrophobicContact CZ-CD2 4.39Å; A812-L815 PolarHBondContact O-N 2.92Å; V813-L815 PolarHBondContact O-N 3.34Å; L815-W817 PolarHBondContact O-N 2.8Å; L815-L818 HydrophobicContact CB-CD1 4.5Å; L815-L818 HydrophobicContact CD2-CD1 3.59Å; L815-L818 VanDerWaalsContact O-CB 3.3Å; L815-L818 WeakPolarHBondContact O-CB 3.45Å; L815-L818 WeakPolarHBondContact O-CG 3.31Å; L815-L818 PolarHBondContact O-N 3.2Å
816	S	82.5	Confident	86.6	Confident	22 Å²	22	60.4 Å²	60.4	15%	0.154	29%	0.294	C	S	.	.	H	α-helix	trans	-55.4	-32.6	-170.4	-172.1	0	0	0	0	113.5	A812 V813 L818 R819	A812-S816 PolarHBondContact O-N 2.89Å; V813-S816 PolarHBondContact O-N 3Å; S816-L818 PolarHBondContact O-N 3.29Å; S816-R819 WeakPolarHBondContact O-CD 3.47Å; S816-R819 WeakPolarHBondContact O-CG 3.18Å; S816-R819 PolarHBondContact O-N 3.3Å; S816-R819 PolarHBondContact O-NE 3.46Å; S816-R819 PolarHBondContact OG-NE 3.19Å
817	W	87.5	Confident	87.2	Confident	138 Å²	138	57.1 Å²	57.1	52%	0.523	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-62.8	-23.4	178.2	66.4	-88	0	0	0	114.2	W814 L815 R819 Y820 F821	W814-W817 PolarHBondContact O-NE1 3.36Å; L815-W817 PolarHBondContact O-N 2.8Å; W817-R819 PolarHBondContact O-N 3.2Å; W817-Y820 WeakPolarHBondContact O-CD2 3.44Å; W817-Y820 PolarHBondContact O-N 3.39Å; W817-F821 AromaticContact CE3-CD2 3.92Å; W817-F821 HydrophobicContact CE3-CD2 3.92Å; W817-F821 AromaticContact CE3-CE2 3.72Å; W817-F821 HydrophobicContact CE3-CE2 3.72Å; W817-F821 AromaticContact CZ3-CD2 3.91Å; W817-F821 HydrophobicContact CZ3-CD2 3.91Å; W817-F821 AromaticContact CZ3-CE2 3.67Å; W817-F821 HydrophobicContact CZ3-CE2 3.67Å
818	L	86.8	Confident	87.8	Confident	25 Å²	25	54.4 Å²	54.4	13%	0.131	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-64.5	-24.7	178.8	-66.5	168	0	0	0	112.7	F797 F801 L815 S816 Y820 F821 S822	F797-L818 HydrophobicContact CE1-CD1 4.04Å; F797-L818 HydrophobicContact CE1-CD2 4.15Å; F797-L818 HydrophobicContact CZ-CD1 3.79Å; F801-L818 HydrophobicContact CD1-CB 4.26Å; F801-L818 HydrophobicContact CD2-CB 4.28Å; F801-L818 HydrophobicContact CE1-CB 4.27Å; F801-L818 HydrophobicContact CE1-CD1 4.21Å; F801-L818 HydrophobicContact CE2-CB 4.31Å; F801-L818 HydrophobicContact CE2-CD1 3.96Å; F801-L818 HydrophobicContact CG-CB 4.29Å; F801-L818 HydrophobicContact CZ-CB 4.3Å; F801-L818 HydrophobicContact CZ-CD1 3.67Å; L815-L818 HydrophobicContact CB-CD1 4.5Å; L815-L818 HydrophobicContact CD2-CD1 3.59Å; L815-L818 VanDerWaalsContact O-CB 3.3Å; L815-L818 WeakPolarHBondContact O-CB 3.45Å; L815-L818 WeakPolarHBondContact O-CG 3.31Å; L815-L818 PolarHBondContact O-N 3.2Å; S816-L818 PolarHBondContact O-N 3.29Å; L818-Y820 PolarHBondContact O-N 3.02Å; L818-F821 PolarHBondContact O-N 3.37Å; L818-S822 PolarHBondContact O-N 3.5Å
819	R	87	Confident	88.6	Confident	34 Å²	34	54.2 Å²	54.2	13%	0.128	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-59.6	-30.6	176.4	79.5	-160.9	163.4	129.4	-30.1	112.6	L808 S816 W817 F821 S822 R825 E866	L808-R819 HydrophobicContact CD2-CB 4.12Å; S816-R819 WeakPolarHBondContact O-CD 3.47Å; S816-R819 WeakPolarHBondContact O-CG 3.18Å; S816-R819 PolarHBondContact O-N 3.3Å; S816-R819 PolarHBondContact O-NE 3.46Å; S816-R819 PolarHBondContact OG-NE 3.19Å; W817-R819 PolarHBondContact O-N 3.2Å; R819-F821 VanDerWaalsContact C-N 3.25Å; R819-F821 PolarHBondContact O-N 3.35Å; R819-S822 PolarHBondContact O-N 3.03Å; R819-R825 HydrophobicContact CB-CG 4.3Å; R819-R825 WeakPolarHBondContact O-CB 3.49Å; R819-E866 IonicContact CZ-OE2 2.75Å; R819-E866 VanDerWaalsContact CZ-OE2 3.28Å; R819-E866 IonicContact NH1-OE2 2.87Å; R819-E866 PolarHBondContact NH1-OE2 3.42Å; R819-E866 IonicContact NH2-OE2 3.45Å; R819-E866 PolarHBondContact NH2-OE2 3.37Å
820	Y	88.5	Confident	89.3	Confident	111 Å²	111	49.1 Å²	49.1	44%	0.435	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-74.4	-12.3	177.5	-60.6	-67.2	0	0	0	113.9	W817 L818 Y826 Y877	W817-Y820 WeakPolarHBondContact O-CD2 3.44Å; W817-Y820 PolarHBondContact O-N 3.39Å; L818-Y820 PolarHBondContact O-N 3.02Å; Y820-Y826 WeakPolarHBondContact CA-OH 3.37Å; Y820-Y826 VanDerWaalsContact O-CE2 3.26Å; Y820-Y826 WeakPolarHBondContact O-CE2 3.42Å; Y820-Y826 PolarHBondContact O-OH 2.98Å; Y820-Y877 WeakPolarHBondContact CE1-OH 3.14Å
821	F	90.1	Very high	89.9	Confident	129 Å²	129	44.8 Å²	44.8	57%	0.566	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-96.7	-9.2	171.5	-73.5	-88.2	0	0	0	112.8	M798 W817 L818 R819 I823	M798-F821 WeakPolarHBondContact CE-O 3.45Å; W817-F821 AromaticContact CE3-CD2 3.92Å; W817-F821 HydrophobicContact CE3-CD2 3.92Å; W817-F821 AromaticContact CE3-CE2 3.72Å; W817-F821 HydrophobicContact CE3-CE2 3.72Å; W817-F821 AromaticContact CZ3-CD2 3.91Å; W817-F821 HydrophobicContact CZ3-CD2 3.91Å; W817-F821 AromaticContact CZ3-CE2 3.67Å; W817-F821 HydrophobicContact CZ3-CE2 3.67Å; L818-F821 PolarHBondContact O-N 3.37Å; R819-F821 VanDerWaalsContact C-N 3.25Å; R819-F821 PolarHBondContact O-N 3.35Å; F821-I823 PolarHBondContact O-N 2.94Å
822	S	93.3	Very high	90.4	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.007	21%	0.205	C	C	.	.			trans	-82.5	116.7	-178.8	178.3	0	0	0	0	112.1	M798 L818 R819 F824 R825 Y826	M798-S822 PolarHBondContact O-OG 3.01Å; L818-S822 PolarHBondContact O-N 3.5Å; R819-S822 PolarHBondContact O-N 3.03Å; S822-F824 PolarHBondContact O-N 3.5Å; S822-F824 WeakPolarHBondContact OG-CB 3.28Å; S822-F824 PolarHBondContact OG-N 3.3Å; S822-R825 PolarHBondContact O-N 3.37Å; S822-R825 VanDerWaalsContact O-N 3.12Å; S822-R825 PolarHBondContact OG-N 3.04Å; S822-Y826 VanDerWaalsContact O-CD2 3.29Å; S822-Y826 WeakPolarHBondContact O-CD2 3.5Å
823	I	95.3	Very high	90.8	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-55.7	-40.1	167.9	-65.6	176.3	0	0	0	110.5	I688 T766 A769 A770 I773 M798 F821 R825 Y826 S827 L882 I885	I688-I823 HydrophobicContact CD1-CB 4.33Å; I688-I823 HydrophobicContact CD1-CG2 3.81Å; I688-I823 HydrophobicContact CG1-CG2 4.34Å; T766-I823 HydrophobicContact CG2-CG2 3.9Å; A769-I823 HydrophobicContact CB-CD1 3.74Å; A769-I823 HydrophobicContact CB-CG1 4.21Å; A769-I823 HydrophobicContact CB-CG2 4.46Å; A770-I823 HydrophobicContact CB-CD1 4.49Å; I773-I823 HydrophobicContact CD1-CD1 3.55Å; I773-I823 HydrophobicContact CD1-CG1 4.49Å; I773-I823 HydrophobicContact CG1-CD1 4.45Å; M798-I823 HydrophobicContact SD-CB 4.37Å; M798-I823 HydrophobicContact SD-CD1 4.34Å; M798-I823 HydrophobicContact SD-CG1 4.1Å; F821-I823 PolarHBondContact O-N 2.94Å; I823-R825 VanDerWaalsContact C-N 3.3Å; I823-R825 PolarHBondContact O-N 3.48Å; I823-Y826 PolarHBondContact O-N 3.1Å; I823-S827 PolarHBondContact O-N 2.89Å; I823-L882 HydrophobicContact CG2-CD2 3.79Å; I823-I885 HydrophobicContact CD1-CG2 4.13Å; I823-I885 HydrophobicContact CG1-CD1 4.28Å; I823-I885 HydrophobicContact CG1-CG2 3.95Å
824	F	94.6	Very high	91.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.8	-38.3	177.8	-72.8	-102.4	0	0	0	112	T684 L685 I688 F689 M798 M799 S822 Y826 S827 M828	T684-F824 HydrophobicContact CG2-CB 4.35Å; T684-F824 HydrophobicContact CG2-CD1 3.48Å; T684-F824 VanDerWaalsContact CG2-CD1 3.48Å; T684-F824 HydrophobicContact CG2-CE1 3.99Å; T684-F824 HydrophobicContact CG2-CG 4.01Å; L685-F824 HydrophobicContact CB-CE1 4.32Å; L685-F824 HydrophobicContact CD1-CE1 4.26Å; L685-F824 HydrophobicContact CD1-CZ 4.2Å; I688-F824 HydrophobicContact CB-CZ 4.42Å; I688-F824 HydrophobicContact CD1-CD1 4.16Å; I688-F824 HydrophobicContact CD1-CD2 3.55Å; I688-F824 HydrophobicContact CD1-CE1 4.02Å; I688-F824 HydrophobicContact CD1-CE2 3.4Å; I688-F824 HydrophobicContact CD1-CG 3.93Å; I688-F824 HydrophobicContact CD1-CZ 3.65Å; I688-F824 HydrophobicContact CG2-CE2 4.23Å; I688-F824 HydrophobicContact CG2-CZ 4.4Å; F689-F824 HydrophobicContact CE2-CZ 4.29Å; M798-F824 HydrophobicContact CB-CD2 3.95Å; M798-F824 HydrophobicContact CB-CE2 4.38Å; M799-F824 HydrophobicContact CB-CD1 4.48Å; M799-F824 HydrophobicContact CB-CD2 4.18Å; M799-F824 HydrophobicContact CB-CE1 4.11Å; M799-F824 HydrophobicContact CB-CE2 3.76Å; M799-F824 HydrophobicContact CB-CZ 3.73Å; M799-F824 HydrophobicContact CE-CZ 4.25Å; M799-F824 HydrophobicContact CG-CD1 4.48Å; M799-F824 HydrophobicContact CG-CE1 3.98Å; M799-F824 HydrophobicContact CG-CE2 4.5Å; M799-F824 HydrophobicContact CG-CZ 4Å; S822-F824 PolarHBondContact O-N 3.5Å; S822-F824 WeakPolarHBondContact OG-CB 3.28Å; S822-F824 PolarHBondContact OG-N 3.3Å; F824-Y826 PolarHBondContact O-N 3.42Å; F824-S827 PolarHBondContact O-N 3.44Å; F824-M828 VanDerWaalsContact O-CB 3.27Å; F824-M828 WeakPolarHBondContact O-CB 3.47Å; F824-M828 VanDerWaalsContact O-CG 3.26Å; F824-M828 WeakPolarHBondContact O-CG 3.44Å; F824-M828 PolarHBondContact O-N 3.49Å
825	R	93.4	Very high	91.4	Very high	17 Å²	17	27.5 Å²	27.5	6%	0.064	12%	0.12	C	C	.	.	H	α-helix	trans	-68.7	-33.5	-176.9	-177.4	53.4	-178.1	78.3	-7.2	113.4	S802 R819 S822 I823 G829 Q865 E866	S802-R825 VanDerWaalsContact O-CD 3.29Å; S802-R825 WeakPolarHBondContact O-CD 3.23Å; R819-R825 HydrophobicContact CB-CG 4.3Å; R819-R825 WeakPolarHBondContact O-CB 3.49Å; S822-R825 PolarHBondContact O-N 3.37Å; S822-R825 VanDerWaalsContact O-N 3.12Å; S822-R825 PolarHBondContact OG-N 3.04Å; I823-R825 VanDerWaalsContact C-N 3.3Å; I823-R825 PolarHBondContact O-N 3.48Å; R825-G829 WeakPolarHBondContact O-CA 3.39Å; R825-G829 PolarHBondContact O-N 2.92Å; R825-Q865 PolarHBondContact NH2-O 3.35Å; R825-E866 PolarHBondContact NH2-O 3.36Å
826	Y	94.5	Very high	91.7	Very high	20 Å²	20	25.1 Å²	25.1	8%	0.078	11%	0.107	C	C	.	.	H	α-helix	trans	-77.5	-41	173.3	-62	-71.7	0	0	0	111.7	Y820 S822 I823 F824 G829 G830 Y877 N878 I885	Y820-Y826 WeakPolarHBondContact CA-OH 3.37Å; Y820-Y826 VanDerWaalsContact O-CE2 3.26Å; Y820-Y826 WeakPolarHBondContact O-CE2 3.42Å; Y820-Y826 PolarHBondContact O-OH 2.98Å; S822-Y826 VanDerWaalsContact O-CD2 3.29Å; S822-Y826 WeakPolarHBondContact O-CD2 3.5Å; I823-Y826 PolarHBondContact O-N 3.1Å; F824-Y826 PolarHBondContact O-N 3.42Å; Y826-G829 PolarHBondContact O-N 2.78Å; Y826-G830 PolarHBondContact O-N 3.29Å; Y826-Y877 HydrophobicContact CD1-CE1 4.26Å; Y826-Y877 AromaticContact CE1-CE1 3.83Å; Y826-Y877 HydrophobicContact CE1-CE1 3.83Å; Y826-Y877 AromaticContact CE1-CZ 3.95Å; Y826-N878 WeakPolarHBondContact O-CB 3.28Å; Y826-N878 PolarHBondContact O-OD1 2.92Å; Y826-I885 HydrophobicContact CD2-CD1 3.92Å; Y826-I885 HydrophobicContact CE2-CD1 3.69Å
827	S	95.4	Very high	92	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.8	-56.4	175.4	-172.5	0	0	0	0	111.2	T684 T766 I823 F824 G829 G830 L831	T684-S827 WeakPolarHBondContact CG2-OG 3.15Å; T684-S827 PolarHBondContact OG1-OG 3.43Å; T766-S827 WeakPolarHBondContact OG1-CB 3.31Å; T766-S827 PolarHBondContact OG1-OG 2.91Å; I823-S827 PolarHBondContact O-N 2.89Å; F824-S827 PolarHBondContact O-N 3.44Å; S827-G829 VanDerWaalsContact C-N 3.33Å; S827-G829 PolarHBondContact O-N 3.29Å; S827-G830 PolarHBondContact O-N 3.28Å; S827-L831 VanDerWaalsContact O-CG 3.31Å; S827-L831 WeakPolarHBondContact O-CG 3.34Å; S827-L831 PolarHBondContact O-N 2.87Å
828	M	93.4	Very high	92	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.02	12%	0.124	C	C	.	.	H	α-helix	trans	-60.2	-40.9	175.9	-67.4	-58.2	-67.1	0	0	112.3	T677 F680 Y681 F824 G830 L832	T677-M828 WeakPolarHBondContact O-CE 3.37Å; F680-M828 HydrophobicContact CB-CE 3.99Å; F680-M828 HydrophobicContact CB-SD 3.93Å; Y681-M828 WeakPolarHBondContact CA-SD 3.3Å; Y681-M828 PolarHBondContact N-SD 3.05Å; Y681-M828 VanDerWaalsContact N-SD 3.41Å; F824-M828 VanDerWaalsContact O-CB 3.27Å; F824-M828 WeakPolarHBondContact O-CB 3.47Å; F824-M828 VanDerWaalsContact O-CG 3.26Å; F824-M828 WeakPolarHBondContact O-CG 3.44Å; F824-M828 PolarHBondContact O-N 3.49Å; M828-G830 PolarHBondContact O-N 3.04Å; M828-L832 HydrophobicContact CB-CD1 4.43Å; M828-L832 HydrophobicContact CE-CD1 3.97Å; M828-L832 HydrophobicContact CE-CG 4.41Å; M828-L832 VanDerWaalsContact O-CB 3.23Å; M828-L832 WeakPolarHBondContact O-CB 3.13Å; M828-L832 VanDerWaalsContact O-CG 3.28Å; M828-L832 WeakPolarHBondContact O-CG 3.39Å; M828-L832 PolarHBondContact O-N 3.25Å
829	G	92.4	Very high	92.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58.6	-47	177.5	0	0	0	0	0	112.6	R825 Y826 S827 A833	R825-G829 WeakPolarHBondContact O-CA 3.39Å; R825-G829 PolarHBondContact O-N 2.92Å; Y826-G829 PolarHBondContact O-N 2.78Å; S827-G829 VanDerWaalsContact C-N 3.33Å; S827-G829 PolarHBondContact O-N 3.29Å; G829-A833 WeakPolarHBondContact O-CB 3.41Å; G829-A833 PolarHBondContact O-N 3.42Å
830	G	93.4	Very high	92.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66	-49.9	177.4	0	0	0	0	0	112.9	Y826 S827 M828 L832 A833 M834	Y826-G830 PolarHBondContact O-N 3.29Å; S827-G830 PolarHBondContact O-N 3.28Å; M828-G830 PolarHBondContact O-N 3.04Å; G830-L832 PolarHBondContact O-N 3.09Å; G830-A833 PolarHBondContact O-N 3.41Å; G830-M834 WeakPolarHBondContact O-CB 3.37Å; G830-M834 PolarHBondContact O-N 3.5Å
831	L	94.5	Very high	92.4	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.4	-41.8	-177.2	-63.4	176.5	0	0	0	112.3	F680 F759 I762 L763 S827 E835	F680-L831 HydrophobicContact CB-CB 4.19Å; F680-L831 HydrophobicContact CB-CD1 3.92Å; F680-L831 HydrophobicContact CD1-CB 4Å; F680-L831 HydrophobicContact CD1-CD1 3.95Å; F680-L831 HydrophobicContact CD1-CG 4.42Å; F680-L831 HydrophobicContact CD2-CB 3.78Å; F680-L831 HydrophobicContact CE1-CB 4.3Å; F680-L831 HydrophobicContact CE2-CB 4.09Å; F680-L831 WeakPolarHBondContact CE2-O 3.24Å; F680-L831 HydrophobicContact CG-CB 3.74Å; F680-L831 HydrophobicContact CG-CD1 4.03Å; F680-L831 HydrophobicContact CG-CG 4.48Å; F680-L831 HydrophobicContact CZ-CB 4.34Å; F759-L831 HydrophobicContact CB-CD2 4.25Å; F759-L831 HydrophobicContact CD2-CD2 3.74Å; F759-L831 HydrophobicContact CG-CD2 4.28Å; I762-L831 HydrophobicContact CB-CD2 4.07Å; I762-L831 HydrophobicContact CG2-CD1 4.4Å; I762-L831 HydrophobicContact CG2-CD2 3.95Å; I762-L831 HydrophobicContact CG2-CG 3.87Å; L763-L831 HydrophobicContact CD2-CD1 4.16Å; S827-L831 VanDerWaalsContact O-CG 3.31Å; S827-L831 WeakPolarHBondContact O-CG 3.34Å; S827-L831 PolarHBondContact O-N 2.87Å; L831-E835 PolarHBondContact O-N 3.11Å; L831-E835 VanDerWaalsContact O-N 3.08Å
832	L	93.6	Very high	92.3	Very high	6 Å²	6	23.3 Å²	23.3	3%	0.031	11%	0.113	C	C	.	.	H	α-helix	trans	-72.4	-41.6	177.9	-69.4	168.5	0	0	0	112.6	T677 F680 M828 G830 M834 E835 M836 Y861 L862 I867	T677-L832 HydrophobicContact CG2-CD1 4.43Å; T677-L832 HydrophobicContact CG2-CD2 3.58Å; F680-L832 HydrophobicContact CD2-CD2 3.85Å; F680-L832 HydrophobicContact CD2-CG 4.23Å; F680-L832 HydrophobicContact CE2-CD2 4.3Å; M828-L832 HydrophobicContact CB-CD1 4.43Å; M828-L832 HydrophobicContact CE-CD1 3.97Å; M828-L832 HydrophobicContact CE-CG 4.41Å; M828-L832 VanDerWaalsContact O-CB 3.23Å; M828-L832 WeakPolarHBondContact O-CB 3.13Å; M828-L832 VanDerWaalsContact O-CG 3.28Å; M828-L832 WeakPolarHBondContact O-CG 3.39Å; M828-L832 PolarHBondContact O-N 3.25Å; G830-L832 PolarHBondContact O-N 3.09Å; L832-M834 PolarHBondContact O-N 3.11Å; L832-E835 PolarHBondContact O-N 3.26Å; L832-M836 HydrophobicContact CD2-CE 3.71Å; L832-M836 HydrophobicContact CD2-CG 4.2Å; L832-M836 VanDerWaalsContact O-CB 3.3Å; L832-M836 WeakPolarHBondContact O-CB 3.49Å; L832-M836 WeakPolarHBondContact O-CG 3.21Å; L832-M836 PolarHBondContact O-N 3.35Å; L832-Y861 HydrophobicContact CD1-CE1 4.17Å; L832-Y861 HydrophobicContact CD2-CE1 4.36Å; L832-L862 HydrophobicContact CB-CD2 3.97Å; L832-I867 HydrophobicContact CB-CD1 3.93Å; L832-I867 HydrophobicContact CD1-CD1 3.73Å
833	A	92.6	Very high	91.8	Very high	4 Å²	4	24 Å²	24	3%	0.033	12%	0.118	C	C	.	.	H	α-helix	trans	-62.9	-32.4	176.6	0	0	0	0	0	112.5	G829 G830 K837 I867 L875	G829-A833 WeakPolarHBondContact O-CB 3.41Å; G829-A833 PolarHBondContact O-N 3.42Å; G830-A833 PolarHBondContact O-N 3.41Å; A833-K837 WeakPolarHBondContact O-CB 3.3Å; A833-I867 HydrophobicContact CB-CG2 3.85Å; A833-L875 HydrophobicContact CB-CD1 4.13Å
834	M	92.3	Very high	90.9	Very high	15 Å²	15	30.2 Å²	30.2	7%	0.074	15%	0.148	C	C	.	.	H	α-helix	trans	-66.1	-63	171.2	-177.4	-149.5	79.9	0	0	111	F680 Q750 A755 F758 F759 G830 L832 L875	F680-M834 HydrophobicContact CZ-CE 4.45Å; Q750-M834 PolarHBondContact NE2-O 2.69Å; A755-M834 VanDerWaalsContact CA-SD 3.58Å; A755-M834 HydrophobicContact CB-CE 4.08Å; A755-M834 HydrophobicContact CB-CG 3.98Å; A755-M834 HydrophobicContact CB-SD 3.64Å; F758-M834 HydrophobicContact CB-SD 4.49Å; F758-M834 HydrophobicContact CD1-CB 4.17Å; F758-M834 HydrophobicContact CD1-CG 4.28Å; F758-M834 HydrophobicContact CD1-SD 4.3Å; F759-M834 HydrophobicContact CB-SD 4.33Å; G830-M834 WeakPolarHBondContact O-CB 3.37Å; G830-M834 PolarHBondContact O-N 3.5Å; L832-M834 PolarHBondContact O-N 3.11Å; M834-L875 HydrophobicContact CB-CD1 4.16Å
835	E	93.4	Very high	89.8	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-68.6	-48.2	-169.3	-178.3	66.8	-173.9	0	0	113	R676 F680 L749 Q750 L831 L832 K837 L839	R676-E835 HydrophobicContact CG-CG 4.41Å; R676-E835 IonicContact CZ-OE1 2.75Å; R676-E835 IonicContact NE-OE1 3.61Å; R676-E835 PolarHBondContact NE-OE1 3.42Å; R676-E835 IonicContact NH2-OE1 3.34Å; F680-E835 HydrophobicContact CE2-CB 3.64Å; F680-E835 HydrophobicContact CE2-CG 4.01Å; F680-E835 HydrophobicContact CZ-CB 3.72Å; F680-E835 HydrophobicContact CZ-CG 3.99Å; L749-E835 HydrophobicContact CD2-CG 4.19Å; L749-E835 WeakPolarHBondContact CD2-OE1 3.25Å; Q750-E835 WeakPolarHBondContact CG-OE2 3.35Å; Q750-E835 PolarHBondContact N-OE2 2.9Å; Q750-E835 VanDerWaalsContact N-OE2 3.12Å; Q750-E835 VanDerWaalsContact NE2-CA 3.3Å; Q750-E835 PolarHBondContact NE2-O 2.87Å; L831-E835 PolarHBondContact O-N 3.11Å; L831-E835 VanDerWaalsContact O-N 3.08Å; L832-E835 PolarHBondContact O-N 3.26Å; E835-K837 VanDerWaalsContact C-N 3.32Å; E835-K837 PolarHBondContact O-N 3.29Å; E835-L839 HydrophobicContact CG-CD1 3.94Å; E835-L839 WeakPolarHBondContact O-CD1 3.42Å; E835-L839 WeakPolarHBondContact O-CG 3.38Å
836	M	91.2	Very high	88.2	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-74.8	-19.6	-169.2	-61.3	-65.2	-171.8	0	0	113.5	I673 R676 T677 L832 T838 L839 F841 G858 Y861 L862	I673-M836 HydrophobicContact CG2-CE 4.13Å; R676-M836 HydrophobicContact CB-CE 3.62Å; T677-M836 HydrophobicContact CG2-CE 3.89Å; L832-M836 HydrophobicContact CD2-CE 3.71Å; L832-M836 HydrophobicContact CD2-CG 4.2Å; L832-M836 VanDerWaalsContact O-CB 3.3Å; L832-M836 WeakPolarHBondContact O-CB 3.49Å; L832-M836 WeakPolarHBondContact O-CG 3.21Å; L832-M836 PolarHBondContact O-N 3.35Å; M836-T838 VanDerWaalsContact C-N 3.27Å; M836-T838 PolarHBondContact O-N 3.29Å; M836-L839 PolarHBondContact O-N 2.89Å; M836-F841 HydrophobicContact SD-CE2 3.91Å; M836-F841 HydrophobicContact SD-CZ 3.78Å; M836-G858 CarbonylContact O-C 3.4Å; M836-G858 WeakPolarHBondContact O-CA 3.47Å; M836-Y861 HydrophobicContact CE-CD1 4.44Å; M836-L862 HydrophobicContact CB-CD1 4.04Å; M836-L862 HydrophobicContact CB-CD2 4.03Å; M836-L862 HydrophobicContact CB-CG 4.02Å; M836-L862 HydrophobicContact CG-CD2 4.27Å
837	K	89.3	Confident	86.3	Confident	97 Å²	97	44.8 Å²	44.8	42%	0.422	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-66	-24.7	-175.4	-176.7	170.3	-177.8	170.3	0	113.6	A833 E835 Y869 I870	A833-K837 WeakPolarHBondContact O-CB 3.3Å; E835-K837 VanDerWaalsContact C-N 3.32Å; E835-K837 PolarHBondContact O-N 3.29Å; K837-Y869 WeakPolarHBondContact CD-O 3.38Å; K837-Y869 VanDerWaalsContact CE-O 3.28Å; K837-Y869 WeakPolarHBondContact CE-O 3.42Å; K837-Y869 PolarHBondContact NZ-O 2.86Å; K837-I870 PolarHBondContact NZ-O 3.42Å
838	T	87.4	Confident	84.2	Confident	97 Å²	97	53 Å²	53	60%	0.595	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-103.8	-0.8	-179.4	73	0	0	0	0	114	Q750 M836	Q750-T838 PolarHBondContact NE2-OG1 2.85Å; M836-T838 VanDerWaalsContact C-N 3.27Å; M836-T838 PolarHBondContact O-N 3.29Å
839	L	90.1	Very high	82.4	Confident	27 Å²	27	57.2 Å²	57.2	14%	0.141	30%	0.304	C	S	.	.			trans	-106.4	150.3	-168.9	-65.3	175.2	0	0	0	112.6	R676 E835 M836 F841 G858	R676-L839 VanDerWaalsContact CZ-CD1 3.5Å; R676-L839 VanDerWaalsContact NE-CD1 3.26Å; E835-L839 HydrophobicContact CG-CD1 3.94Å; E835-L839 WeakPolarHBondContact O-CD1 3.42Å; E835-L839 WeakPolarHBondContact O-CG 3.38Å; M836-L839 PolarHBondContact O-N 2.89Å; L839-F841 HydrophobicContact CB-CE2 3.9Å; L839-F841 HydrophobicContact CB-CZ 3.86Å; L839-F841 HydrophobicContact CD1-CZ 3.88Å; L839-G858 PolarHBondContact O-N 3.34Å
840	R	90.2	Very high	80.6	Confident	149 Å²	149	64.5 Å²	64.5	56%	0.562	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136	125.2	173.8	-175.7	176.8	-170.6	-155.1	1.3	109	C855 N857	R840-C855 HydrophobicContact CG-CB 4.23Å; R840-N857 WeakPolarHBondContact CD-OD1 3.48Å; R840-N857 WeakPolarHBondContact CG-OD1 3.28Å; R840-N857 PolarHBondContact NE-OD1 2.91Å
841	F	90.4	Very high	79.1	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	125.9	-173.2	-59.1	-83.6	0	0	0	110.1	D667 L669 I673 M836 L839 C855 Q856	D667-F841 HydrophobicContact CB-CD1 4.49Å; D667-F841 WeakPolarHBondContact O-CA 3.38Å; L669-F841 HydrophobicContact CB-CB 4.44Å; L669-F841 HydrophobicContact CD1-CB 4.06Å; I673-F841 HydrophobicContact CD1-CB 4.45Å; I673-F841 HydrophobicContact CD1-CD2 3.77Å; I673-F841 HydrophobicContact CD1-CE2 4.21Å; I673-F841 HydrophobicContact CD1-CG 4.06Å; I673-F841 HydrophobicContact CG1-CB 4.49Å; I673-F841 HydrophobicContact CG1-CD1 3.92Å; I673-F841 HydrophobicContact CG1-CD2 3.54Å; I673-F841 HydrophobicContact CG1-CE1 3.98Å; I673-F841 HydrophobicContact CG1-CE2 3.61Å; I673-F841 HydrophobicContact CG1-CG 3.71Å; I673-F841 HydrophobicContact CG1-CZ 3.83Å; M836-F841 HydrophobicContact SD-CE2 3.91Å; M836-F841 HydrophobicContact SD-CZ 3.78Å; L839-F841 HydrophobicContact CB-CE2 3.9Å; L839-F841 HydrophobicContact CB-CZ 3.86Å; L839-F841 HydrophobicContact CD1-CZ 3.88Å; F841-C855 CarbonylContact O-C 3.53Å; F841-C855 WeakPolarHBondContact O-CA 3.16Å; F841-C855 WeakPolarHBondContact O-CB 3.39Å; F841-Q856 PolarHBondContact N-O 2.99Å; F841-Q856 PolarHBondContact O-N 3.44Å
842	C	87	Confident	77.6	Confident	51 Å²	51	77.5 Å²	77.5	35%	0.345	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-114.6	144.9	-179.3	-76.9	0	0	0	0	111.3	D667 S668 L669 C855	D667-C842 PolarHBondContact O-N 2.86Å; S668-C842 CarbonylContact C-O 3.57Å; S668-C842 WeakPolarHBondContact CA-O 3.32Å; L669-C842 PolarHBondContact N-O 3.2Å; C842-C855 VanDerWaalsContact CA-SG 3.5Å; C842-C855 HydrophobicContact CB-CB 4.01Å; C842-C855 WeakPolarHBondContact CB-SG 3.3Å; C842-C855 WeakPolarHBondContact SG-CB 3.32Å; C842-C855 CovalentContact SG-SG 2.04Å; C842-C855 PolarHBondContact SG-SG 2.92Å
843	P	84	Confident	76.6	Confident	15 Å²	15	84.2 Å²	84.2	10%	0.097	44%	0.442	C	S	.	.			trans	-63.4	138.9	175.3	29.6	-36.2	0	0	0	110.6	E670 N845 R853	E670-P843 WeakPolarHBondContact OE2-CA 3.34Å; P843-N845 PolarHBondContact O-N 3.23Å; P843-R853 HydrophobicContact CB-CB 4.06Å; P843-R853 HydrophobicContact CG-CB 4.01Å; P843-R853 WeakPolarHBondContact CG-O 3.49Å
844	M	75.8	Confident	76	Confident	132 Å²	132	91.5 Å²	91.5	65%	0.65	48%	0.475	S	S	*	.	S	Bend	trans	-74.9	-8.6	-172.3	-158.8	156.9	65.8	0	0	114.3	E670	E670-M844 PolarHBondContact OE2-N 2.98Å
845	N	71	Confident	75.6	Confident	127 Å²	127	92.5 Å²	92.5	68%	0.679	48%	0.484	S	S	*	.			trans	-148.7	128.9	173.4	-100.9	-33.7	0	0	0	111	P843 S847	P843-N845 PolarHBondContact O-N 3.23Å; N845-S847 PolarHBondContact O-N 2.88Å; N845-S847 VanDerWaalsContact O-N 3.09Å
846	N	59.5	Low	75.3	Confident	148 Å²	148	97.2 Å²	97.2	79%	0.791	51%	0.506	S	S	*	.			trans	-80.8	31.7	171.3	-73.4	-15.2	0	0	0	112.5	N848	N846-N848 PolarHBondContact O-N 3.42Å
847	S	54.7	Low	75.3	Confident	68 Å²	68	101 Å²	101	48%	0.476	53%	0.526	S	S	.	.			trans	-82.4	99	-165.9	57.1	0	0	0	0	113.1	N845 T849	N845-S847 PolarHBondContact O-N 2.88Å; N845-S847 VanDerWaalsContact O-N 3.09Å; S847-T849 PolarHBondContact O-N 3.48Å
848	N	52.8	Low	75.2	Confident	171 Å²	171	96.4 Å²	96.4	91%	0.914	51%	0.506	S	S	*	.	S	Bend	trans	36.5	29.7	152.2	-67	5.8	0	0	0	119.3	N846	N846-N848 PolarHBondContact O-N 3.42Å
849	T	54.5	Low	75.4	Confident	93 Å²	93	93.1 Å²	93.1	57%	0.571	49%	0.486	S	S	*	.			trans	-92.8	145.6	169.6	45	0	0	0	0	108.9	S847 I851	S847-T849 PolarHBondContact O-N 3.48Å; T849-I851 PolarHBondContact O-N 3.03Å
850	T	54.8	Low	75.3	Confident	154 Å²	154	94.2 Å²	94.2	95%	0.945	49%	0.494	S	S	*	.	S	Bend	trans	-68.9	11.4	-178.4	41.8	0	0	0	0	114.4
851	I	62	Low	75.2	Confident	121 Å²	121	89.2 Å²	89.2	62%	0.621	48%	0.475	S	S	*	.	S	Bend	trans	-123	99.6	-179.1	-55.6	175.5	0	0	0	107.4	T849 R853	T849-I851 PolarHBondContact O-N 3.03Å; I851-R853 VanDerWaalsContact C-N 3.31Å; I851-R853 PolarHBondContact O-N 3.39Å
852	N	62.5	Low	75.2	Confident	152 Å²	152	89.2 Å²	89.2	81%	0.813	48%	0.475	S	S	*	.			trans	-64.8	87.5	174.4	-81	-25	0	0	0	110.6	Q854	N852-Q854 PolarHBondContact O-N 2.92Å; N852-Q854 VanDerWaalsContact O-N 3.13Å
853	R	71.9	Confident	75.2	Confident	146 Å²	146	91.7 Å²	91.7	55%	0.551	48%	0.482	S	S	*	.			trans	-65.5	108.3	171.7	-68.1	-175.9	179.2	-170.1	-1	109.1	L669 E670 P843 I851	L669-R853 HydrophobicContact CD2-CB 4.46Å; E670-R853 IonicContact OE1-NH1 2.84Å; E670-R853 PolarHBondContact OE1-NH1 3.26Å; P843-R853 HydrophobicContact CB-CB 4.06Å; P843-R853 HydrophobicContact CG-CB 4.01Å; P843-R853 WeakPolarHBondContact CG-O 3.49Å; I851-R853 VanDerWaalsContact C-N 3.31Å; I851-R853 PolarHBondContact O-N 3.39Å
854	Q	80.8	Confident	75.3	Confident	157 Å²	157	94.7 Å²	94.7	73%	0.734	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-86.5	150	174.4	-63.6	-176	-5.1	0	0	110.4	N852 Q856	N852-Q854 PolarHBondContact O-N 2.92Å; N852-Q854 VanDerWaalsContact O-N 3.13Å; Q854-Q856 PolarHBondContact O-N 3.28Å
855	C	84.4	Confident	75.7	Confident	37 Å²	37	89.3 Å²	89.3	25%	0.25	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-66.5	120.3	174.7	-54.3	0	0	0	0	111.1	R840 F841 C842	R840-C855 HydrophobicContact CG-CB 4.23Å; F841-C855 CarbonylContact O-C 3.53Å; F841-C855 WeakPolarHBondContact O-CA 3.16Å; F841-C855 WeakPolarHBondContact O-CB 3.39Å; C842-C855 VanDerWaalsContact CA-SG 3.5Å; C842-C855 HydrophobicContact CB-CB 4.01Å; C842-C855 WeakPolarHBondContact CB-SG 3.3Å; C842-C855 WeakPolarHBondContact SG-CB 3.32Å; C842-C855 CovalentContact SG-SG 2.04Å; C842-C855 PolarHBondContact SG-SG 2.92Å
856	Q	86.9	Confident	76.4	Confident	99 Å²	99	87 Å²	87	46%	0.463	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	143.3	-179.4	-64.9	-176.9	-23.9	0	0	111.2	L669 F841 Q854	L669-Q856 HydrophobicContact CD1-CB 4.09Å; L669-Q856 HydrophobicContact CD1-CG 4.18Å; F841-Q856 PolarHBondContact N-O 2.99Å; F841-Q856 PolarHBondContact O-N 3.44Å; Q854-Q856 PolarHBondContact O-N 3.28Å
857	N	90.2	Very high	77.7	Confident	81 Å²	81	80.4 Å²	80.4	43%	0.433	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	145.4	171.5	-66.9	-9.7	0	0	0	109.4	R840 T859 T860	R840-N857 WeakPolarHBondContact CD-OD1 3.48Å; R840-N857 WeakPolarHBondContact CG-OD1 3.28Å; R840-N857 PolarHBondContact NE-OD1 2.91Å; N857-T859 WeakPolarHBondContact CB-OG1 3.13Å; N857-T859 PolarHBondContact O-N 3.07Å; N857-T859 VanDerWaalsContact O-N 3.08Å; N857-T860 WeakPolarHBondContact O-CB 3.38Å; N857-T860 PolarHBondContact O-N 3.42Å
858	G	88.9	Confident	79.2	Confident	0 Å²	0	79.6 Å²	79.6	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-59.6	-21.6	176.2	0	0	0	0	0	113.4	M836 L839 T860 Y861 L862	M836-G858 CarbonylContact O-C 3.4Å; M836-G858 WeakPolarHBondContact O-CA 3.47Å; L839-G858 PolarHBondContact O-N 3.34Å; G858-T860 VanDerWaalsContact C-N 3.28Å; G858-T860 PolarHBondContact O-N 3.45Å; G858-Y861 WeakPolarHBondContact O-CB 3.26Å; G858-Y861 PolarHBondContact O-N 2.99Å; G858-L862 PolarHBondContact O-N 3.23Å
859	T	90	Very high	80.8	Confident	28 Å²	28	73.3 Å²	73.3	17%	0.172	38%	0.377	C	S	.	.	H	α-helix	trans	-56.7	-37.2	170.9	56.2	0	0	0	0	113.1	N857 Y861 L862 E863 Y869	N857-T859 WeakPolarHBondContact CB-OG1 3.13Å; N857-T859 PolarHBondContact O-N 3.07Å; N857-T859 VanDerWaalsContact O-N 3.08Å; T859-Y861 VanDerWaalsContact C-N 3.28Å; T859-Y861 PolarHBondContact O-N 2.92Å; T859-L862 WeakPolarHBondContact O-CA 3.39Å; T859-L862 WeakPolarHBondContact O-CB 3.46Å; T859-L862 PolarHBondContact O-N 3.03Å; T859-E863 WeakPolarHBondContact O-CG 3.28Å; T859-E863 PolarHBondContact O-N 3.04Å; T859-Y869 HydrophobicContact CG2-CD2 4.04Å; T859-Y869 HydrophobicContact CG2-CE2 3.52Å
860	T	89	Confident	82.2	Confident	49 Å²	49	75 Å²	75	30%	0.301	38%	0.381	S	S	.	.	H	α-helix	trans	-63.9	-34.5	179.2	-56.6	0	0	0	0	111.8	N857 G858 L862 E863 D864	N857-T860 WeakPolarHBondContact O-CB 3.38Å; N857-T860 PolarHBondContact O-N 3.42Å; G858-T860 VanDerWaalsContact C-N 3.28Å; G858-T860 PolarHBondContact O-N 3.45Å; T860-L862 VanDerWaalsContact C-N 3.34Å; T860-E863 WeakPolarHBondContact CA-OE2 3.43Å; T860-E863 PolarHBondContact O-N 3.08Å; T860-D864 PolarHBondContact O-N 3.06Å
861	Y	88.4	Confident	83.7	Confident	44 Å²	44	71.5 Å²	71.5	17%	0.173	36%	0.36	C	S	.	.	H	α-helix	trans	-68	-33	172.1	-179	-96.2	0	0	0	112.4	I673 T677 L832 M836 G858 T859 D864 Q865	I673-Y861 HydrophobicContact CG2-CD1 4.31Å; I673-Y861 HydrophobicContact CG2-CD2 3.67Å; I673-Y861 HydrophobicContact CG2-CE2 3.95Å; I673-Y861 HydrophobicContact CG2-CG 3.88Å; T677-Y861 HydrophobicContact CG2-CD1 4.42Å; T677-Y861 HydrophobicContact CG2-CE1 3.48Å; T677-Y861 VanDerWaalsContact CG2-CE1 3.48Å; T677-Y861 HydrophobicContact CG2-CE2 4.39Å; T677-Y861 VanDerWaalsContact CG2-CZ 3.47Å; T677-Y861 VanDerWaalsContact CG2-OH 3.28Å; T677-Y861 WeakPolarHBondContact CG2-OH 3.35Å; L832-Y861 HydrophobicContact CD1-CE1 4.17Å; L832-Y861 HydrophobicContact CD2-CE1 4.36Å; M836-Y861 HydrophobicContact CE-CD1 4.44Å; G858-Y861 WeakPolarHBondContact O-CB 3.26Å; G858-Y861 PolarHBondContact O-N 2.99Å; T859-Y861 VanDerWaalsContact C-N 3.28Å; T859-Y861 PolarHBondContact O-N 2.92Å; Y861-D864 PolarHBondContact O-N 3.44Å; Y861-Q865 HydrophobicContact CD1-CG 4.36Å; Y861-Q865 HydrophobicContact CE1-CG 3.77Å; Y861-Q865 HydrophobicContact CE2-CG 4.08Å; Y861-Q865 WeakPolarHBondContact O-CG 3.48Å; Y861-Q865 PolarHBondContact O-N 3.08Å; Y861-Q865 VanDerWaalsContact O-N 3.07Å
862	L	89.7	Confident	84.7	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-70.8	-40.6	175.4	-57.3	177.4	0	0	0	111.7	L832 M836 G858 T859 T860 D864 Q865 E866 I867 Y869	L832-L862 HydrophobicContact CB-CD2 3.97Å; M836-L862 HydrophobicContact CB-CD1 4.04Å; M836-L862 HydrophobicContact CB-CD2 4.03Å; M836-L862 HydrophobicContact CB-CG 4.02Å; M836-L862 HydrophobicContact CG-CD2 4.27Å; G858-L862 PolarHBondContact O-N 3.23Å; T859-L862 WeakPolarHBondContact O-CA 3.39Å; T859-L862 WeakPolarHBondContact O-CB 3.46Å; T859-L862 PolarHBondContact O-N 3.03Å; T860-L862 VanDerWaalsContact C-N 3.34Å; L862-D864 PolarHBondContact O-N 2.99Å; L862-Q865 PolarHBondContact O-N 2.86Å; L862-E866 PolarHBondContact O-N 2.94Å; L862-I867 HydrophobicContact CB-CB 4.26Å; L862-I867 HydrophobicContact CD2-CB 4.06Å; L862-I867 HydrophobicContact CD2-CD1 3.97Å; L862-I867 HydrophobicContact CD2-CG2 4.04Å; L862-I867 PolarHBondContact O-N 3.08Å; L862-Y869 HydrophobicContact CB-CD1 3.54Å; L862-Y869 HydrophobicContact CB-CE1 3.95Å; L862-Y869 HydrophobicContact CB-CG 4.29Å; L862-Y869 HydrophobicContact CD1-CD1 3.82Å; L862-Y869 HydrophobicContact CD1-CD2 4.37Å; L862-Y869 HydrophobicContact CD1-CG 3.67Å; L862-Y869 HydrophobicContact CG-CD1 4.34Å
863	E	87.7	Confident	85.9	Confident	103 Å²	103	68.6 Å²	68.6	48%	0.481	35%	0.346	S	S	.	.	H	α-helix	trans	-59.5	-32.4	169.9	-65.8	173.2	139.6	0	0	111.8	K809 T859 T860 Y869	K809-E863 WeakPolarHBondContact CE-O 3.3Å; K809-E863 PolarHBondContact NZ-O 3.25Å; T859-E863 WeakPolarHBondContact O-CG 3.28Å; T859-E863 PolarHBondContact O-N 3.04Å; T860-E863 WeakPolarHBondContact CA-OE2 3.43Å; T860-E863 PolarHBondContact O-N 3.08Å; E863-Y869 HydrophobicContact CG-CE1 3.85Å; E863-Y869 PolarHBondContact OE1-OH 3.1Å
864	D	85.2	Confident	86.6	Confident	78 Å²	78	62.8 Å²	62.8	42%	0.417	33%	0.325	S	S	.	.	H	α-helix	trans	-80.5	-23.2	176.6	-90.4	-24.2	0	0	0	116.1	K809 T860 Y861 L862	K809-D864 VanDerWaalsContact CE-O 3.32Å; K809-D864 WeakPolarHBondContact CE-O 3.45Å; K809-D864 IonicContact NZ-OD1 2.78Å; K809-D864 PolarHBondContact NZ-OD1 3.36Å; T860-D864 PolarHBondContact O-N 3.06Å; Y861-D864 PolarHBondContact O-N 3.44Å; L862-D864 PolarHBondContact O-N 2.99Å
865	Q	85.3	Confident	87	Confident	20 Å²	20	57.5 Å²	57.5	9%	0.093	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	10.7	175.3	-61.3	-55.4	-26	0	0	114.3	G803 L808 R825 Y861 L862 I867	G803-Q865 PolarHBondContact O-OE1 3.26Å; L808-Q865 WeakPolarHBondContact CD1-O 3.27Å; R825-Q865 PolarHBondContact NH2-O 3.35Å; Y861-Q865 HydrophobicContact CD1-CG 4.36Å; Y861-Q865 HydrophobicContact CE1-CG 3.77Å; Y861-Q865 HydrophobicContact CE2-CG 4.08Å; Y861-Q865 WeakPolarHBondContact O-CG 3.48Å; Y861-Q865 PolarHBondContact O-N 3.08Å; Y861-Q865 VanDerWaalsContact O-N 3.07Å; L862-Q865 PolarHBondContact O-N 2.86Å; Q865-I867 HydrophobicContact CB-CD1 3.73Å; Q865-I867 HydrophobicContact CB-CG1 3.82Å; Q865-I867 PolarHBondContact O-N 3.29Å
866	E	85	Confident	87.3	Confident	79 Å²	79	61.7 Å²	61.7	37%	0.369	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	38.1	-171.8	-56.2	-172.6	170.5	0	0	112.4	K809 R819 R825 L862 P868	K809-E866 HydrophobicContact CG-CG 4.19Å; R819-E866 IonicContact CZ-OE2 2.75Å; R819-E866 VanDerWaalsContact CZ-OE2 3.28Å; R819-E866 IonicContact NH1-OE2 2.87Å; R819-E866 PolarHBondContact NH1-OE2 3.42Å; R819-E866 IonicContact NH2-OE2 3.45Å; R819-E866 PolarHBondContact NH2-OE2 3.37Å; R825-E866 PolarHBondContact NH2-O 3.36Å; L862-E866 PolarHBondContact O-N 2.94Å; E866-P868 WeakPolarHBondContact O-CD 3.42Å
867	I	86.8	Confident	87.6	Confident	8 Å²	8	60.9 Å²	60.9	4%	0.041	31%	0.306	C	S	.	.			trans	-93.1	113	176.7	-61.4	172.1	0	0	0	107	L832 A833 L862 Q865 Y869	L832-I867 HydrophobicContact CB-CD1 3.93Å; L832-I867 HydrophobicContact CD1-CD1 3.73Å; A833-I867 HydrophobicContact CB-CG2 3.85Å; L862-I867 HydrophobicContact CB-CB 4.26Å; L862-I867 HydrophobicContact CD2-CB 4.06Å; L862-I867 HydrophobicContact CD2-CD1 3.97Å; L862-I867 HydrophobicContact CD2-CG2 4.04Å; L862-I867 PolarHBondContact O-N 3.08Å; Q865-I867 HydrophobicContact CB-CD1 3.73Å; Q865-I867 HydrophobicContact CB-CG1 3.82Å; Q865-I867 PolarHBondContact O-N 3.29Å; I867-Y869 WeakPolarHBondContact O-CD1 3.3Å
868	P	87.1	Confident	87.8	Confident	52 Å²	52	57 Å²	57	34%	0.338	29%	0.285	S	S	.	.			trans	-70	140.7	175.1	32.6	-36	0	0	0	109.5	E866 D874	E866-P868 WeakPolarHBondContact O-CD 3.42Å; P868-D874 HydrophobicContact CB-CB 3.82Å; P868-D874 HydrophobicContact CG-CB 4.16Å; P868-D874 WeakPolarHBondContact O-CB 3.47Å
869	Y	86.3	Confident	88.1	Confident	38 Å²	38	57.8 Å²	57.8	15%	0.149	29%	0.29	C	S	.	.			trans	-148.9	-0.9	-174	67	-90.7	0	0	0	114.1	K837 T859 L862 E863 I867 D874	K837-Y869 WeakPolarHBondContact CD-O 3.38Å; K837-Y869 VanDerWaalsContact CE-O 3.28Å; K837-Y869 WeakPolarHBondContact CE-O 3.42Å; K837-Y869 PolarHBondContact NZ-O 2.86Å; T859-Y869 HydrophobicContact CG2-CD2 4.04Å; T859-Y869 HydrophobicContact CG2-CE2 3.52Å; L862-Y869 HydrophobicContact CB-CD1 3.54Å; L862-Y869 HydrophobicContact CB-CE1 3.95Å; L862-Y869 HydrophobicContact CB-CG 4.29Å; L862-Y869 HydrophobicContact CD1-CD1 3.82Å; L862-Y869 HydrophobicContact CD1-CD2 4.37Å; L862-Y869 HydrophobicContact CD1-CG 3.67Å; L862-Y869 HydrophobicContact CG-CD1 4.34Å; E863-Y869 HydrophobicContact CG-CE1 3.85Å; E863-Y869 PolarHBondContact OE1-OH 3.1Å; I867-Y869 WeakPolarHBondContact O-CD1 3.3Å; Y869-D874 PolarHBondContact N-OD2 3.4Å
870	I	82.4	Confident	88.4	Confident	129 Å²	129	59.4 Å²	59.4	66%	0.662	30%	0.3	S	S	*	.	S	Bend	trans	-73.3	-57.7	-169.9	-60.5	173.7	0	0	0	108.6	K837 D874	K837-I870 PolarHBondContact NZ-O 3.42Å; I870-D874 PolarHBondContact N-OD2 3.11Å
871	T	86.3	Confident	88.6	Confident	81 Å²	81	57.5 Å²	57.5	50%	0.497	29%	0.29	S	S	.	.	S	Bend	trans	-82.7	151.4	-177.4	-30.6	0	0	0	0	110.9	W873 D874	T871-W873 HydrophobicContact CG2-CB 4.07Å; T871-W873 PolarHBondContact O-N 3.32Å; T871-D874 WeakPolarHBondContact CB-OD1 3.35Å; T871-D874 PolarHBondContact N-OD2 3.05Å; T871-D874 WeakPolarHBondContact O-CB 3.5Å; T871-D874 PolarHBondContact O-N 3.07Å; T871-D874 VanDerWaalsContact O-N 3.09Å; T871-D874 PolarHBondContact OG1-OD1 3.37Å; T871-D874 VanDerWaalsContact OG1-OD1 3.11Å; T871-D874 PolarHBondContact OG1-OD2 3.05Å
872	G	82.9	Confident	89	Confident	51 Å²	51	55.4 Å²	55.4	53%	0.526	28%	0.281	S	S	.	.	H	α-helix	trans	-58.6	-29.4	167.4	0	0	0	0	0	113	D874 L875 W876	G872-D874 VanDerWaalsContact C-N 3.29Å; G872-D874 PolarHBondContact O-N 3.35Å; G872-L875 PolarHBondContact O-N 2.7Å; G872-W876 VanDerWaalsContact O-CD1 3.23Å
873	W	89	Confident	89.3	Confident	161 Å²	161	58.8 Å²	58.8	61%	0.61	30%	0.298	S	S	*	.	H	α-helix	trans	-62.8	-32.1	174.5	-175.6	-109.1	0	0	0	113.4	T871 L875 W876 Y877 V880	T871-W873 HydrophobicContact CG2-CB 4.07Å; T871-W873 PolarHBondContact O-N 3.32Å; W873-L875 PolarHBondContact O-N 3.04Å; W873-W876 HydrophobicContact CE3-CB 4.32Å; W873-W876 CarbonylContact O-C 3.5Å; W873-W876 PolarHBondContact O-N 2.74Å; W873-W876 VanDerWaalsContact O-N 3.11Å; W873-Y877 PolarHBondContact O-N 3.1Å; W873-V880 HydrophobicContact CH2-CG2 4.41Å
874	D	86.6	Confident	89.7	Confident	23 Å²	23	58.2 Å²	58.2	12%	0.123	30%	0.301	C	S	.	.	H	α-helix	trans	-64.4	-30.9	-177	-53.9	-5.1	0	0	0	111.5	P868 Y869 I870 T871 G872 N878	P868-D874 HydrophobicContact CB-CB 3.82Å; P868-D874 HydrophobicContact CG-CB 4.16Å; P868-D874 WeakPolarHBondContact O-CB 3.47Å; Y869-D874 PolarHBondContact N-OD2 3.4Å; I870-D874 PolarHBondContact N-OD2 3.11Å; T871-D874 WeakPolarHBondContact CB-OD1 3.35Å; T871-D874 PolarHBondContact N-OD2 3.05Å; T871-D874 WeakPolarHBondContact O-CB 3.5Å; T871-D874 PolarHBondContact O-N 3.07Å; T871-D874 VanDerWaalsContact O-N 3.09Å; T871-D874 PolarHBondContact OG1-OD1 3.37Å; T871-D874 VanDerWaalsContact OG1-OD1 3.11Å; T871-D874 PolarHBondContact OG1-OD2 3.05Å; G872-D874 VanDerWaalsContact C-N 3.29Å; G872-D874 PolarHBondContact O-N 3.35Å; D874-N878 PolarHBondContact O-ND2 3.26Å
875	L	88.1	Confident	90.2	Very high	46 Å²	46	55.3 Å²	55.3	24%	0.241	29%	0.286	C	S	.	.	H	α-helix	trans	-70.9	-50.1	172.5	-170.2	67.4	0	0	0	110.8	F758 A833 M834 G872 W873 Y877 N878	F758-L875 HydrophobicContact CD1-CD1 4.07Å; F758-L875 HydrophobicContact CD1-CD2 4.47Å; F758-L875 HydrophobicContact CD1-CG 4.39Å; F758-L875 HydrophobicContact CD2-CD2 4.17Å; F758-L875 HydrophobicContact CD2-CG 4.32Å; F758-L875 HydrophobicContact CE1-CD1 3.42Å; F758-L875 VanDerWaalsContact CE1-CD1 3.42Å; F758-L875 HydrophobicContact CE1-CD2 4.36Å; F758-L875 HydrophobicContact CE1-CG 3.8Å; F758-L875 HydrophobicContact CE2-CD1 4.29Å; F758-L875 HydrophobicContact CE2-CD2 4.04Å; F758-L875 HydrophobicContact CE2-CG 3.71Å; F758-L875 HydrophobicContact CG-CD2 4.39Å; F758-L875 HydrophobicContact CZ-CD1 3.57Å; F758-L875 HydrophobicContact CZ-CD2 4.16Å; F758-L875 HydrophobicContact CZ-CG 3.44Å; F758-L875 VanDerWaalsContact CZ-CG 3.44Å; A833-L875 HydrophobicContact CB-CD1 4.13Å; M834-L875 HydrophobicContact CB-CD1 4.16Å; G872-L875 PolarHBondContact O-N 2.7Å; W873-L875 PolarHBondContact O-N 3.04Å; L875-Y877 VanDerWaalsContact C-N 3.3Å; L875-Y877 PolarHBondContact O-N 2.82Å; L875-N878 PolarHBondContact O-N 2.79Å; L875-N878 PolarHBondContact O-ND2 3.31Å
876	W	92.4	Very high	90.7	Very high	125 Å²	125	55.4 Å²	55.4	47%	0.473	29%	0.286	S	S	.	.	H	α-helix	trans	-66.7	-24.9	179.2	-71.1	109.8	0	0	0	114.1	L761 G872 W873 N878 V879 V880	L761-W876 HydrophobicContact CD2-CH2 4.43Å; L761-W876 HydrophobicContact CD2-CZ3 4.05Å; G872-W876 VanDerWaalsContact O-CD1 3.23Å; W873-W876 HydrophobicContact CE3-CB 4.32Å; W873-W876 CarbonylContact O-C 3.5Å; W873-W876 PolarHBondContact O-N 2.74Å; W873-W876 VanDerWaalsContact O-N 3.11Å; W876-N878 PolarHBondContact O-N 3.28Å; W876-V879 HydrophobicContact CE3-CB 3.98Å; W876-V879 HydrophobicContact CE3-CG1 4Å; W876-V879 HydrophobicContact CE3-CG2 3.92Å; W876-V879 HydrophobicContact CZ3-CB 4.49Å; W876-V879 HydrophobicContact CZ3-CG1 4.17Å; W876-V879 HydrophobicContact CZ3-CG2 4.19Å; W876-V879 WeakPolarHBondContact O-CB 3.36Å; W876-V879 PolarHBondContact O-N 2.89Å; W876-V879 VanDerWaalsContact O-N 3.07Å; W876-V880 WeakPolarHBondContact O-CG2 3.27Å; W876-V880 PolarHBondContact O-N 2.82Å
877	Y	93	Very high	91.2	Very high	83 Å²	83	55.5 Å²	55.5	33%	0.325	29%	0.289	S	S	.	.	H	α-helix	trans	-53.2	-38.9	173.1	169.2	-101	0	0	0	111.8	Y820 Y826 W873 L875 V880 G881	Y820-Y877 WeakPolarHBondContact CE1-OH 3.14Å; Y826-Y877 HydrophobicContact CD1-CE1 4.26Å; Y826-Y877 AromaticContact CE1-CE1 3.83Å; Y826-Y877 HydrophobicContact CE1-CE1 3.83Å; Y826-Y877 AromaticContact CE1-CZ 3.95Å; W873-Y877 PolarHBondContact O-N 3.1Å; L875-Y877 VanDerWaalsContact C-N 3.3Å; L875-Y877 PolarHBondContact O-N 2.82Å; Y877-V880 PolarHBondContact O-N 2.83Å; Y877-G881 PolarHBondContact O-N 3.43Å
878	N	93.5	Very high	91.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-69	-40.1	177.7	-61.4	-75.9	0	0	0	112.3	I762 Y826 D874 L875 W876 G881 L882	I762-N878 HydrophobicContact CD1-CB 4.43Å; Y826-N878 WeakPolarHBondContact O-CB 3.28Å; Y826-N878 PolarHBondContact O-OD1 2.92Å; D874-N878 PolarHBondContact O-ND2 3.26Å; L875-N878 PolarHBondContact O-N 2.79Å; L875-N878 PolarHBondContact O-ND2 3.31Å; W876-N878 PolarHBondContact O-N 3.28Å; N878-G881 PolarHBondContact O-N 3.29Å; N878-L882 WeakPolarHBondContact O-CG 3.5Å; N878-L882 PolarHBondContact O-N 3.43Å
879	V	95.3	Very high	92.1	Very high	15 Å²	15	57 Å²	57	9%	0.091	30%	0.297	C	S	.	.	H	α-helix	trans	-60.7	-45.6	172.7	170.3	0	0	0	0	110.8	F758 L761 I762 L765 W876 L882 M883	F758-V879 HydrophobicContact CE2-CG2 3.54Å; F758-V879 HydrophobicContact CZ-CG2 3.81Å; L761-V879 HydrophobicContact CD2-CG2 4.23Å; I762-V879 HydrophobicContact CD1-CG2 3.7Å; L765-V879 HydrophobicContact CD1-CB 4.41Å; L765-V879 HydrophobicContact CD1-CG1 3.72Å; W876-V879 HydrophobicContact CE3-CB 3.98Å; W876-V879 HydrophobicContact CE3-CG1 4Å; W876-V879 HydrophobicContact CE3-CG2 3.92Å; W876-V879 HydrophobicContact CZ3-CB 4.49Å; W876-V879 HydrophobicContact CZ3-CG1 4.17Å; W876-V879 HydrophobicContact CZ3-CG2 4.19Å; W876-V879 WeakPolarHBondContact O-CB 3.36Å; W876-V879 PolarHBondContact O-N 2.89Å; W876-V879 VanDerWaalsContact O-N 3.07Å; V879-L882 PolarHBondContact O-N 3.36Å; V879-M883 WeakPolarHBondContact O-CB 3.4Å; V879-M883 VanDerWaalsContact O-CG 3.25Å; V879-M883 WeakPolarHBondContact O-CG 3.49Å; V879-M883 PolarHBondContact O-N 3.46Å
880	V	95.6	Very high	92.5	Very high	63 Å²	63	56.2 Å²	56.2	38%	0.382	29%	0.294	S	S	.	.	H	α-helix	trans	-64.6	-42	177.4	175.1	0	0	0	0	111.2	W873 W876 Y877 M883 V884	W873-V880 HydrophobicContact CH2-CG2 4.41Å; W876-V880 WeakPolarHBondContact O-CG2 3.27Å; W876-V880 PolarHBondContact O-N 2.82Å; Y877-V880 PolarHBondContact O-N 2.83Å; V880-M883 PolarHBondContact O-N 3.1Å; V880-V884 HydrophobicContact CG1-CG2 4.22Å; V880-V884 WeakPolarHBondContact O-CB 3.43Å; V880-V884 VanDerWaalsContact O-CG2 3.3Å; V880-V884 WeakPolarHBondContact O-CG2 3.4Å; V880-V884 PolarHBondContact O-N 2.91Å
881	G	94.4	Very high	93.2	Very high	9 Å²	9	54.8 Å²	54.8	9%	0.093	29%	0.287	C	S	.	.	H	α-helix	trans	-58.3	-48.7	175.8	0	0	0	0	0	112.9	Y877 N878 V884 I885	Y877-G881 PolarHBondContact O-N 3.43Å; N878-G881 PolarHBondContact O-N 3.29Å; G881-V884 PolarHBondContact O-N 2.93Å; G881-I885 WeakPolarHBondContact O-CG1 3.34Å; G881-I885 PolarHBondContact O-N 3.47Å
882	L	96	Very high	93.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.4	-44.7	175.1	-68.7	173.2	0	0	0	111.9	I762 L765 I823 N878 V879 V884 I885 M886	I762-L882 HydrophobicContact CD1-CD1 3.95Å; I762-L882 HydrophobicContact CG2-CD1 4.3Å; L765-L882 HydrophobicContact CB-CB 4.06Å; L765-L882 HydrophobicContact CB-CD1 3.98Å; I823-L882 HydrophobicContact CG2-CD2 3.79Å; N878-L882 WeakPolarHBondContact O-CG 3.5Å; N878-L882 PolarHBondContact O-N 3.43Å; V879-L882 PolarHBondContact O-N 3.36Å; L882-V884 PolarHBondContact O-N 3.43Å; L882-I885 PolarHBondContact O-N 3.28Å; L882-M886 VanDerWaalsContact O-CB 3.24Å; L882-M886 WeakPolarHBondContact O-CB 3.25Å; L882-M886 PolarHBondContact O-N 3.49Å
883	M	96.1	Very high	94.2	Very high	71 Å²	71	52.3 Å²	52.3	35%	0.35	26%	0.258	S	S	.	.	H	α-helix	trans	-61.7	-41.8	177.3	-76.2	-74.4	-76.5	0	0	112.6	L765 V879 V880 M886 I887	L765-M883 HydrophobicContact CD1-CG 4.23Å; L765-M883 HydrophobicContact CD2-CG 4.14Å; L765-M883 HydrophobicContact CD2-SD 3.5Å; L765-M883 VanDerWaalsContact CD2-SD 3.5Å; V879-M883 WeakPolarHBondContact O-CB 3.4Å; V879-M883 VanDerWaalsContact O-CG 3.25Å; V879-M883 WeakPolarHBondContact O-CG 3.49Å; V879-M883 PolarHBondContact O-N 3.46Å; V880-M883 PolarHBondContact O-N 3.1Å; M883-M886 HydrophobicContact CE-CE 4.23Å; M883-M886 PolarHBondContact O-N 3.46Å; M883-M886 HydrophobicContact SD-CE 3.47Å; M883-M886 WeakPolarHBondContact SD-CE 3.06Å; M883-I887 HydrophobicContact CE-CD1 4.44Å; M883-I887 WeakPolarHBondContact O-CB 3.33Å; M883-I887 WeakPolarHBondContact O-CD1 3.29Å; M883-I887 WeakPolarHBondContact O-CG1 3.4Å; M883-I887 PolarHBondContact O-N 3.16Å
884	V	96.4	Very high	94.5	Very high	90 Å²	90	47.8 Å²	47.8	55%	0.545	24%	0.242	S	C	.	.	H	α-helix	trans	-65.8	-45.2	178	168	0	0	0	0	111.1	V880 G881 L882 I887 A888	V880-V884 HydrophobicContact CG1-CG2 4.22Å; V880-V884 WeakPolarHBondContact O-CB 3.43Å; V880-V884 VanDerWaalsContact O-CG2 3.3Å; V880-V884 WeakPolarHBondContact O-CG2 3.4Å; V880-V884 PolarHBondContact O-N 2.91Å; G881-V884 PolarHBondContact O-N 2.93Å; L882-V884 PolarHBondContact O-N 3.43Å; V884-I887 PolarHBondContact O-N 3.28Å; V884-A888 VanDerWaalsContact O-CB 3.24Å; V884-A888 WeakPolarHBondContact O-CB 3.32Å; V884-A888 PolarHBondContact O-N 3.13Å
885	I	95.2	Very high	94.9	Very high	18 Å²	18	49.9 Å²	49.9	9%	0.092	26%	0.255	C	S	.	.	H	α-helix	trans	-59.9	-49.9	175.1	-70.3	173.9	0	0	0	110.4	A769 I823 Y826 G881 L882 I887 A888 F889	A769-I885 HydrophobicContact CB-CG2 4.31Å; I823-I885 HydrophobicContact CD1-CG2 4.13Å; I823-I885 HydrophobicContact CG1-CD1 4.28Å; I823-I885 HydrophobicContact CG1-CG2 3.95Å; Y826-I885 HydrophobicContact CD2-CD1 3.92Å; Y826-I885 HydrophobicContact CE2-CD1 3.69Å; G881-I885 WeakPolarHBondContact O-CG1 3.34Å; G881-I885 PolarHBondContact O-N 3.47Å; L882-I885 PolarHBondContact O-N 3.28Å; I885-I887 PolarHBondContact O-N 2.97Å; I885-A888 PolarHBondContact O-N 3.5Å; I885-F889 HydrophobicContact CG2-CD2 3.8Å; I885-F889 HydrophobicContact CG2-CE2 4.02Å; I885-F889 WeakPolarHBondContact O-CD2 3.36Å; I885-F889 PolarHBondContact O-N 3.02Å
886	M	95.6	Very high	95.2	Very high	22 Å²	22	53.3 Å²	53.3	11%	0.108	27%	0.265	C	S	.	.	H	α-helix	trans	-55.6	-51.7	178.8	-178.5	-169.6	72.4	0	0	111.7	L768 A769 L882 M883 Y890	L768-M886 HydrophobicContact CB-CG 4.31Å; L768-M886 HydrophobicContact CB-SD 3.59Å; L768-M886 VanDerWaalsContact CB-SD 3.59Å; L768-M886 HydrophobicContact CD1-SD 4.35Å; A769-M886 HydrophobicContact CB-CB 4.08Å; L882-M886 VanDerWaalsContact O-CB 3.24Å; L882-M886 WeakPolarHBondContact O-CB 3.25Å; L882-M886 PolarHBondContact O-N 3.49Å; M883-M886 HydrophobicContact CE-CE 4.23Å; M883-M886 PolarHBondContact O-N 3.46Å; M883-M886 HydrophobicContact SD-CE 3.47Å; M883-M886 WeakPolarHBondContact SD-CE 3.06Å; M886-Y890 HydrophobicContact CG-CD2 3.62Å; M886-Y890 HydrophobicContact CG-CE2 3.38Å; M886-Y890 WeakPolarHBondContact O-CB 3.24Å; M886-Y890 WeakPolarHBondContact O-CD2 3.4Å; M886-Y890 PolarHBondContact O-N 2.95Å; M886-Y890 HydrophobicContact SD-CE2 4.03Å
887	I	96.2	Very high	95.1	Very high	81 Å²	81	47.4 Å²	47.4	42%	0.415	24%	0.243	S	C	.	.	H	α-helix	trans	-64.5	-42.4	-179.5	-69.7	166.2	0	0	0	111	M883 V884 I885 Y890 I891	M883-I887 HydrophobicContact CE-CD1 4.44Å; M883-I887 WeakPolarHBondContact O-CB 3.33Å; M883-I887 WeakPolarHBondContact O-CD1 3.29Å; M883-I887 WeakPolarHBondContact O-CG1 3.4Å; M883-I887 PolarHBondContact O-N 3.16Å; V884-I887 PolarHBondContact O-N 3.28Å; I885-I887 PolarHBondContact O-N 2.97Å; I887-Y890 PolarHBondContact O-N 2.81Å; I887-I891 HydrophobicContact CG2-CD1 3.71Å; I887-I891 HydrophobicContact CG2-CG1 4.39Å; I887-I891 VanDerWaalsContact O-CG1 3.3Å; I887-I891 WeakPolarHBondContact O-CG1 3.39Å; I887-I891 PolarHBondContact O-N 2.75Å
888	A	96.3	Very high	95	Very high	43 Å²	43	52 Å²	52	36%	0.355	26%	0.259	S	S	.	.	H	α-helix	trans	-61.1	-48.9	178.8	0	0	0	0	0	112	V884 I885 I891 L892	V884-A888 VanDerWaalsContact O-CB 3.24Å; V884-A888 WeakPolarHBondContact O-CB 3.32Å; V884-A888 PolarHBondContact O-N 3.13Å; I885-A888 PolarHBondContact O-N 3.5Å; A888-I891 PolarHBondContact O-N 3.27Å; A888-L892 WeakPolarHBondContact O-CG 3.37Å; A888-L892 PolarHBondContact O-N 2.75Å
889	F	96.1	Very high	94.8	Very high	47 Å²	47	57.7 Å²	57.7	21%	0.206	29%	0.289	C	S	.	.	H	α-helix	trans	-69	-32.7	178	-80.1	-73.7	0	0	0	113	A772 I773 F776 I885 L892 C893	A772-F889 HydrophobicContact CB-CB 3.73Å; I773-F889 HydrophobicContact CD1-CD2 4.15Å; I773-F889 HydrophobicContact CD1-CE2 3.88Å; I773-F889 HydrophobicContact CD1-CZ 4.24Å; I773-F889 HydrophobicContact CG1-CB 4.38Å; I773-F889 HydrophobicContact CG1-CD1 3.97Å; I773-F889 HydrophobicContact CG1-CD2 3.51Å; I773-F889 HydrophobicContact CG1-CE1 4.1Å; I773-F889 HydrophobicContact CG1-CE2 3.66Å; I773-F889 HydrophobicContact CG1-CG 3.68Å; I773-F889 HydrophobicContact CG1-CZ 3.95Å; F776-F889 HydrophobicContact CB-CD1 4.08Å; F776-F889 AromaticContact CD1-CD1 3.72Å; F776-F889 HydrophobicContact CD1-CD1 3.72Å; F776-F889 AromaticContact CD1-CE1 3.84Å; F776-F889 HydrophobicContact CD1-CE1 3.84Å; F776-F889 HydrophobicContact CE1-CD1 4.5Å; F776-F889 HydrophobicContact CE1-CE1 4.29Å; F776-F889 HydrophobicContact CG-CD1 4.05Å; I885-F889 HydrophobicContact CG2-CD2 3.8Å; I885-F889 HydrophobicContact CG2-CE2 4.02Å; I885-F889 WeakPolarHBondContact O-CD2 3.36Å; I885-F889 PolarHBondContact O-N 3.02Å; F889-L892 HydrophobicContact CD1-CD1 4.21Å; F889-L892 HydrophobicContact CE1-CD1 4.41Å; F889-L892 PolarHBondContact O-N 2.78Å; F889-C893 VanDerWaalsContact O-CB 3.28Å; F889-C893 WeakPolarHBondContact O-CB 3.24Å; F889-C893 PolarHBondContact O-N 3.31Å
890	Y	95.3	Very high	94.3	Very high	22 Å²	22	58.4 Å²	58.4	9%	0.086	29%	0.292	C	S	.	.	H	α-helix	trans	-64.3	-42.3	170.8	-83.8	-45.4	0	0	0	112.6	F720 V724 A772 L775 M886 I887 C893 Y894	F720-Y890 HydrophobicContact CE2-CD1 4.17Å; F720-Y890 AromaticContact CZ-CD1 3.74Å; F720-Y890 HydrophobicContact CZ-CD1 3.74Å; F720-Y890 HydrophobicContact CZ-CG 4.14Å; F720-Y890 VanDerWaalsContact CZ-O 3.28Å; F720-Y890 WeakPolarHBondContact CZ-O 3.14Å; V724-Y890 HydrophobicContact CG1-CE1 4.33Å; V724-Y890 HydrophobicContact CG2-CD1 4.04Å; V724-Y890 HydrophobicContact CG2-CE1 3.64Å; A772-Y890 HydrophobicContact CB-CD1 3.95Å; A772-Y890 HydrophobicContact CB-CD2 3.95Å; A772-Y890 HydrophobicContact CB-CE1 3.91Å; A772-Y890 HydrophobicContact CB-CE2 3.92Å; A772-Y890 HydrophobicContact CB-CG 3.94Å; L775-Y890 HydrophobicContact CD1-CD1 4.32Å; L775-Y890 HydrophobicContact CD1-CE1 3.69Å; M886-Y890 HydrophobicContact CG-CD2 3.62Å; M886-Y890 HydrophobicContact CG-CE2 3.38Å; M886-Y890 WeakPolarHBondContact O-CB 3.24Å; M886-Y890 WeakPolarHBondContact O-CD2 3.4Å; M886-Y890 PolarHBondContact O-N 2.95Å; M886-Y890 HydrophobicContact SD-CE2 4.03Å; I887-Y890 PolarHBondContact O-N 2.81Å; Y890-C893 PolarHBondContact O-N 3Å; Y890-Y894 PolarHBondContact O-N 3.34Å
891	I	96.3	Very high	93.3	Very high	99 Å²	99	60.5 Å²	60.5	51%	0.508	30%	0.301	S	S	.	.	H	α-helix	trans	-63.1	-46	174.3	-70	167.6	0	0	0	110.6	I887 A888 C893 Y894 V895	I887-I891 HydrophobicContact CG2-CD1 3.71Å; I887-I891 HydrophobicContact CG2-CG1 4.39Å; I887-I891 VanDerWaalsContact O-CG1 3.3Å; I887-I891 WeakPolarHBondContact O-CG1 3.39Å; I887-I891 PolarHBondContact O-N 2.75Å; A888-I891 PolarHBondContact O-N 3.27Å; I891-C893 VanDerWaalsContact C-N 3.32Å; I891-C893 PolarHBondContact O-N 3.27Å; I891-Y894 PolarHBondContact O-N 2.91Å; I891-V895 HydrophobicContact CG2-CG2 4.36Å; I891-V895 WeakPolarHBondContact O-CB 3.38Å; I891-V895 VanDerWaalsContact O-CG2 3.32Å; I891-V895 WeakPolarHBondContact O-CG2 3.45Å; I891-V895 PolarHBondContact O-N 3.12Å
892	L	96.1	Very high	92.2	Very high	80 Å²	80	63.6 Å²	63.6	42%	0.419	31%	0.312	S	S	.	.	H	α-helix	trans	-60.9	-40	176.8	-71.7	171.8	0	0	0	112.1	F776 A888 F889 R896	F776-L892 HydrophobicContact CD2-CB 3.62Å; F776-L892 HydrophobicContact CE2-CB 3.72Å; F776-L892 HydrophobicContact CG-CB 4.25Å; F776-L892 HydrophobicContact CZ-CB 4.43Å; A888-L892 WeakPolarHBondContact O-CG 3.37Å; A888-L892 PolarHBondContact O-N 2.75Å; F889-L892 HydrophobicContact CD1-CD1 4.21Å; F889-L892 HydrophobicContact CE1-CD1 4.41Å; F889-L892 PolarHBondContact O-N 2.78Å; L892-R896 WeakPolarHBondContact O-CB 3.47Å; L892-R896 PolarHBondContact O-N 3.14Å
893	C	94.5	Very high	91	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-62.3	-50.2	173.9	-177.2	0	0	0	0	111.7	F720 F776 F889 Y890 I891 V895 R896 L897	F720-C893 HydrophobicContact CE2-CB 4.16Å; F776-C893 HydrophobicContact CB-CB 4.19Å; F889-C893 VanDerWaalsContact O-CB 3.28Å; F889-C893 WeakPolarHBondContact O-CB 3.24Å; F889-C893 PolarHBondContact O-N 3.31Å; Y890-C893 PolarHBondContact O-N 3Å; I891-C893 VanDerWaalsContact C-N 3.32Å; I891-C893 PolarHBondContact O-N 3.27Å; C893-V895 PolarHBondContact O-N 2.78Å; C893-R896 PolarHBondContact O-N 3.47Å; C893-R896 VanDerWaalsContact O-N 3.17Å; C893-L897 WeakPolarHBondContact O-CG 3.39Å; C893-L897 PolarHBondContact O-N 3.21Å
894	Y	95.1	Very high	89.4	Confident	67 Å²	67	69.7 Å²	69.7	26%	0.263	34%	0.335	S	S	.	.	H	α-helix	trans	-60.1	-42.7	176.8	172.3	-114.7	0	0	0	112.5	V716 F720 Y890 I891 L897 R898	V716-Y894 HydrophobicContact CB-CE2 4.47Å; V716-Y894 HydrophobicContact CG1-CD2 4.3Å; V716-Y894 HydrophobicContact CG1-CE2 4.09Å; F720-Y894 HydrophobicContact CB-CD2 4.21Å; F720-Y894 HydrophobicContact CD1-CD2 4.33Å; F720-Y894 HydrophobicContact CG-CD2 4.17Å; Y890-Y894 PolarHBondContact O-N 3.34Å; I891-Y894 PolarHBondContact O-N 2.91Å; Y894-L897 PolarHBondContact O-N 3.13Å; Y894-R898 WeakPolarHBondContact O-CB 3.48Å; Y894-R898 PolarHBondContact O-N 3.26Å
895	V	95.3	Very high	89.1	Confident	66 Å²	66	68.7 Å²	68.7	40%	0.4	32%	0.324	S	S	.	.	H	α-helix	trans	-61.5	-44.4	174.3	168.9	0	0	0	0	110.7	I891 C893 R898 L899	I891-V895 HydrophobicContact CG2-CG2 4.36Å; I891-V895 WeakPolarHBondContact O-CB 3.38Å; I891-V895 VanDerWaalsContact O-CG2 3.32Å; I891-V895 WeakPolarHBondContact O-CG2 3.45Å; I891-V895 PolarHBondContact O-N 3.12Å; C893-V895 PolarHBondContact O-N 2.78Å; V895-R898 PolarHBondContact O-N 3Å; V895-L899 HydrophobicContact CG1-CD1 3.74Å; V895-L899 HydrophobicContact CG1-CG 4.37Å; V895-L899 WeakPolarHBondContact O-CB 3.41Å; V895-L899 VanDerWaalsContact O-CG 3.29Å; V895-L899 WeakPolarHBondContact O-CG 3.24Å; V895-L899 PolarHBondContact O-N 3.25Å
896	R	93.7	Very high	88.7	Confident	119 Å²	119	71.4 Å²	71.4	45%	0.449	34%	0.337	S	S	.	.	H	α-helix	trans	-61.5	-45.6	175.2	-98.6	-73.4	174.8	-144.2	-0.3	112.5	F776 A779 L892 C893 R898 L899 L900	F776-R896 HydrophobicContact CD2-CG 4.46Å; F776-R896 HydrophobicContact CE2-CG 3.98Å; A779-R896 HydrophobicContact CB-CB 4.29Å; L892-R896 WeakPolarHBondContact O-CB 3.47Å; L892-R896 PolarHBondContact O-N 3.14Å; C893-R896 PolarHBondContact O-N 3.47Å; C893-R896 VanDerWaalsContact O-N 3.17Å; R896-R898 VanDerWaalsContact C-N 3.29Å; R896-R898 PolarHBondContact O-N 2.63Å; R896-L899 CarbonylContact O-C 3.59Å; R896-L899 PolarHBondContact O-N 2.98Å; R896-L899 VanDerWaalsContact O-N 3.15Å; R896-L900 PolarHBondContact O-N 2.99Å
897	L	91.8	Very high	88.4	Confident	1 Å²	1	74.1 Å²	74.1	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-62.4	-33.7	176.2	-70.2	174.5	0	0	0	112.9	F698 F705 V716 F720 A779 C893 Y894 L900	F698-L897 HydrophobicContact CZ-CD1 4.29Å; F698-L897 HydrophobicContact CZ-CD2 4.09Å; F705-L897 HydrophobicContact CD1-CD2 4.47Å; F705-L897 HydrophobicContact CE1-CD2 4.03Å; V716-L897 HydrophobicContact CG1-CB 3.81Å; F720-L897 HydrophobicContact CD2-CD1 3.99Å; A779-L897 HydrophobicContact CB-CD2 4Å; A779-L897 HydrophobicContact CB-CG 4.16Å; C893-L897 WeakPolarHBondContact O-CG 3.39Å; C893-L897 PolarHBondContact O-N 3.21Å; Y894-L897 PolarHBondContact O-N 3.13Å; L897-L900 HydrophobicContact CD2-CD1 3.82Å
898	R	90.7	Very high	87.9	Confident	179 Å²	179	73.7 Å²	73.7	68%	0.675	35%	0.345	S	S	*	.	H	α-helix	trans	-74.2	-31	174.4	-171.4	178	-179.5	-168.1	1.5	112.7	Y894 V895 R896	Y894-R898 WeakPolarHBondContact O-CB 3.48Å; Y894-R898 PolarHBondContact O-N 3.26Å; V895-R898 PolarHBondContact O-N 3Å; R896-R898 VanDerWaalsContact C-N 3.29Å; R896-R898 PolarHBondContact O-N 2.63Å
899	L	89.5	Confident	87.4	Confident	119 Å²	119	75.6 Å²	75.6	62%	0.623	35%	0.345	S	S	*	.	H	α-helix	trans	-88.9	-1.9	177.1	-67.9	175.5	0	0	0	113.9	V895 R896 N901	V895-L899 HydrophobicContact CG1-CD1 3.74Å; V895-L899 HydrophobicContact CG1-CG 4.37Å; V895-L899 WeakPolarHBondContact O-CB 3.41Å; V895-L899 VanDerWaalsContact O-CG 3.29Å; V895-L899 WeakPolarHBondContact O-CG 3.24Å; V895-L899 PolarHBondContact O-N 3.25Å; R896-L899 CarbonylContact O-C 3.59Å; R896-L899 PolarHBondContact O-N 2.98Å; R896-L899 VanDerWaalsContact O-N 3.15Å; L899-N901 PolarHBondContact O-N 3.19Å
900	L	85.1	Confident	86.8	Confident	31 Å²	31	77.5 Å²	77.5	16%	0.162	35%	0.354	C	S	.	.	S	Bend	trans	-60.3	130.3	172	-79.1	179.3	0	0	0	109.9	F705 I706 R896 L897 K902	F705-L900 HydrophobicContact CE1-CD1 4.39Å; I706-L900 HydrophobicContact CD1-CD1 4.42Å; R896-L900 PolarHBondContact O-N 2.99Å; L897-L900 HydrophobicContact CD2-CD1 3.82Å; L900-K902 PolarHBondContact O-N 3.09Å
901	N	74.1	Confident	86.2	Confident	106 Å²	106	81.5 Å²	81.5	57%	0.567	37%	0.373	S	S	*	.			trans	-64.9	126.8	172.9	-170.2	6.3	0	0	0	109.5	L899 Y903	L899-N901 PolarHBondContact O-N 3.19Å; N901-Y903 WeakPolarHBondContact OD1-CB 3.04Å; N901-Y903 WeakPolarHBondContact OD1-CD2 3.33Å; N901-Y903 PolarHBondContact OD1-N 2.95Å
902	K	71.7	Confident	85.4	Confident	74 Å²	74	80.2 Å²	80.2	32%	0.322	36%	0.363	S	S	.	.			trans	-103.4	3.6	177.9	-61.1	-172.5	173.6	-170.3	0	113.2	S709 L900	S709-K902 PolarHBondContact O-NZ 3.24Å; S709-K902 PolarHBondContact OG-NZ 3.38Å; L900-K902 PolarHBondContact O-N 3.09Å
903	Y	70.6	Confident	84.5	Confident	87 Å²	87	80.2 Å²	80.2	34%	0.341	36%	0.358	S	S	.	.			trans	-82.3	140.6	168.2	-60.5	-68	0	0	0	109.8	R339 K340 D341 N901	R339-Y903 WeakPolarHBondContact O-CA 3.48Å; R339-Y903 WeakPolarHBondContact O-CD1 3.43Å; K340-Y903 WeakPolarHBondContact O-CD1 2.98Å; K340-Y903 VanDerWaalsContact O-CE1 3.27Å; K340-Y903 WeakPolarHBondContact O-CE1 3.41Å; D341-Y903 HydrophobicContact CB-CD2 3.8Å; D341-Y903 HydrophobicContact CB-CE2 4.23Å; D341-Y903 HydrophobicContact CB-CG 4.05Å; N901-Y903 WeakPolarHBondContact OD1-CB 3.04Å; N901-Y903 WeakPolarHBondContact OD1-CD2 3.33Å; N901-Y903 PolarHBondContact OD1-N 2.95Å
904	K	62.3	Low	83.6	Confident	113 Å²	113	87.5 Å²	87.5	49%	0.491	39%	0.391	S	S	.	.			trans	-86.5	0	173.1	177.8	175.9	168.3	-126	0	109.9	D334 R339 K340 Y366 D453	D334-K904 IonicContact OD1-NZ 3.13Å; D334-K904 PolarHBondContact OD1-NZ 3.16Å; D334-K904 WeakPolarHBondContact OD2-CD 3Å; D334-K904 WeakPolarHBondContact OD2-CE 3.38Å; D334-K904 IonicContact OD2-NZ 2.72Å; D334-K904 PolarHBondContact OD2-NZ 3.29Å; R339-K904 PolarHBondContact O-N 2.04Å; K340-K904 WeakPolarHBondContact CD-OXT 3.29Å; K340-K904 WeakPolarHBondContact CE-OXT 3.46Å; K340-K904 PolarHBondContact NZ-O 2.99Å; K340-K904 PolarHBondContact NZ-OXT 3.43Å; Y366-K904 PolarHBondContact OH-NZ 3.49Å; D453-K904 IonicContact OD2-NZ 2.68Å; D453-K904 PolarHBondContact OD2-NZ 3.36Å

Retrieved 904 of 904 residues in 391.6 ms (Link to these results)

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